Program PWSCF v.5.1.1 starts on 16Jul2015 at 15:13:28 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: ./MgF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 19 12 3 553 258 43 Max 20 13 5 560 279 50 Sum 955 587 187 26739 12819 2185 bravais-lattice index = 14 lattice parameter (alat) = 6.0239 a.u. unit-cell volume = 209.4239 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.023872 celldm(2)= 1.000000 celldm(3)= 1.113971 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.510204 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.510204 0.860053 0.000000 ) a(3) = ( 0.000000 0.000000 1.113971 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.593224 -0.000000 ) b(2) = ( 0.000000 1.162719 -0.000000 ) b(3) = ( 0.000000 0.000000 0.897690 ) PseudoPot. # 1 for F read from file: /home/autes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /home/autes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Mg 10.00 24.30500 Mg( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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= 572 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017483 k( 2) = ( 0.0050164 0.0088085 -0.0000000), wk = 0.0017483 k( 3) = ( 0.0100328 0.0176170 -0.0000000), wk = 0.0017483 k( 4) = ( 0.0150491 0.0264254 -0.0000000), wk = 0.0017483 k( 5) = ( 0.0200655 0.0352339 -0.0000000), wk = 0.0017483 k( 6) = ( 0.0250819 0.0440424 -0.0000000), wk = 0.0017483 k( 7) = ( 0.0300983 0.0528508 -0.0000000), wk = 0.0017483 k( 8) = ( 0.0351146 0.0616593 -0.0000000), wk = 0.0017483 k( 9) = ( 0.0401310 0.0704678 -0.0000000), wk = 0.0017483 k( 10) = ( 0.0451474 0.0792763 -0.0000000), wk = 0.0017483 k( 11) = ( 0.0501638 0.0880848 -0.0000000), wk = 0.0017483 k( 12) = ( 0.0551802 0.0968932 -0.0000000), wk = 0.0017483 k( 13) = ( 0.0601966 0.1057017 -0.0000000), wk = 0.0017483 k( 14) = ( 0.0652129 0.1145102 -0.0000000), wk = 0.0017483 k( 15) = ( 0.0702293 0.1233187 -0.0000000), wk = 0.0017483 k( 16) = ( 0.0752457 0.1321271 -0.0000000), wk = 0.0017483 k( 17) = ( 0.0802621 0.1409356 -0.0000000), wk = 0.0017483 k( 18) = ( 0.0852784 0.1497441 -0.0000000), wk = 0.0017483 k( 19) = ( 0.0902948 0.1585526 -0.0000000), wk = 0.0017483 k( 20) = ( 0.0953112 0.1673610 -0.0000000), wk = 0.0017483 k( 21) = ( 0.1003276 0.1761695 -0.0000000), wk = 0.0017483 k( 22) = ( 0.1053440 0.1849780 -0.0000000), wk = 0.0017483 k( 23) = ( 0.1103603 0.1937865 -0.0000000), wk = 0.0017483 k( 24) = ( 0.1153767 0.2025949 -0.0000000), wk = 0.0017483 k( 25) = ( 0.1203931 0.2114034 -0.0000000), wk = 0.0017483 k( 26) = ( 0.1254095 0.2202119 -0.0000000), wk = 0.0017483 k( 27) = ( 0.1304259 0.2290204 -0.0000000), wk = 0.0017483 k( 28) = ( 0.1354422 0.2378288 -0.0000000), wk = 0.0017483 k( 29) = ( 0.1404586 0.2466373 -0.0000000), wk = 0.0017483 k( 30) = ( 0.1454750 0.2554458 -0.0000000), wk = 0.0017483 k( 31) = ( 0.1504914 0.2642543 -0.0000000), wk = 0.0017483 k( 32) = ( 0.1555078 0.2730627 -0.0000000), wk = 0.0017483 k( 33) = ( 0.1605241 0.2818712 -0.0000000), wk = 0.0017483 k( 34) = ( 0.1655405 0.2906797 -0.0000000), wk = 0.0017483 k( 35) = ( 0.1705569 0.2994882 -0.0000000), wk = 0.0017483 k( 36) = ( 0.1755733 0.3082966 -0.0000000), wk = 0.0017483 k( 37) = ( 0.1805896 0.3171051 -0.0000000), wk = 0.0017483 k( 38) = ( 0.1856060 0.3259136 -0.0000000), wk = 0.0017483 k( 39) = ( 0.1906224 0.3347221 -0.0000000), wk = 0.0017483 k( 40) = ( 0.1956388 0.3435305 -0.0000000), wk = 0.0017483 k( 41) = ( 0.2006552 0.3523390 -0.0000000), wk = 0.0017483 k( 42) = ( 0.2056715 0.3611475 -0.0000000), wk = 0.0017483 k( 43) = ( 0.2106879 0.3699560 -0.0000000), wk = 0.0017483 k( 44) = ( 0.2157043 0.3787644 -0.0000000), wk = 0.0017483 k( 45) = ( 0.2207207 0.3875729 -0.0000000), wk = 0.0017483 k( 46) = ( 0.2257371 0.3963814 -0.0000000), wk = 0.0017483 k( 47) = ( 0.2307534 0.4051899 -0.0000000), wk = 0.0017483 k( 48) = ( 0.2357698 0.4139984 -0.0000000), wk = 0.0017483 k( 49) = ( 0.2407862 0.4228068 -0.0000000), wk = 0.0017483 k( 50) = ( 0.2458026 0.4316153 -0.0000000), wk = 0.0017483 k( 51) = ( 0.2508189 0.4404238 -0.0000000), wk = 0.0017483 k( 52) = ( 0.2558353 0.4492322 -0.0000000), wk = 0.0017483 k( 53) = ( 0.2608517 0.4580407 -0.0000000), wk = 0.0017483 k( 54) = ( 0.2658681 0.4668492 -0.0000000), wk = 0.0017483 k( 55) = ( 0.2708845 0.4756577 -0.0000000), wk = 0.0017483 k( 56) = ( 0.2759008 0.4844662 -0.0000000), wk = 0.0017483 k( 57) = ( 0.2809172 0.4932746 -0.0000000), wk = 0.0017483 k( 58) = ( 0.2859336 0.5020831 -0.0000000), wk = 0.0017483 k( 59) = ( 0.2909500 0.5108916 -0.0000000), wk = 0.0017483 k( 60) = ( 0.2959664 0.5197001 -0.0000000), wk = 0.0017483 k( 61) = ( 0.3009828 0.5285085 -0.0000000), wk = 0.0017483 k( 62) = ( 0.3059991 0.5373170 -0.0000000), wk = 0.0017483 k( 63) = ( 0.3110155 0.5461255 -0.0000000), wk = 0.0017483 k( 64) = ( 0.3160319 0.5549340 -0.0000000), wk = 0.0017483 k( 65) = ( 0.3210483 0.5637424 -0.0000000), wk = 0.0017483 k( 66) = ( 0.3260646 0.5725509 -0.0000000), wk = 0.0017483 k( 67) = ( 0.3310810 0.5813594 -0.0000000), wk = 0.0017483 k( 68) = ( 0.3310810 0.5813594 -0.0000000), wk = 0.0017483 k( 69) = ( 0.3210483 0.5813594 -0.0000000), wk = 0.0017483 k( 70) = ( 0.3110155 0.5813594 -0.0000000), wk = 0.0017483 k( 71) = ( 0.3009828 0.5813594 -0.0000000), wk = 0.0017483 k( 72) = ( 0.2909500 0.5813594 -0.0000000), wk = 0.0017483 k( 73) = ( 0.2809172 0.5813594 -0.0000000), wk = 0.0017483 k( 74) = ( 0.2708845 0.5813594 -0.0000000), wk = 0.0017483 k( 75) = ( 0.2608517 0.5813594 -0.0000000), wk = 0.0017483 k( 76) = ( 0.2508189 0.5813594 -0.0000000), wk = 0.0017483 k( 77) = ( 0.2407862 0.5813594 -0.0000000), wk = 0.0017483 k( 78) = ( 0.2307534 0.5813594 -0.0000000), wk = 0.0017483 k( 79) = ( 0.2207207 0.5813594 -0.0000000), wk = 0.0017483 k( 80) = ( 0.2106879 0.5813594 -0.0000000), wk = 0.0017483 k( 81) = ( 0.2006552 0.5813594 -0.0000000), wk = 0.0017483 k( 82) = ( 0.1906224 0.5813594 -0.0000000), wk = 0.0017483 k( 83) = ( 0.1805896 0.5813594 -0.0000000), wk = 0.0017483 k( 84) = ( 0.1705569 0.5813594 -0.0000000), wk = 0.0017483 k( 85) = ( 0.1605241 0.5813594 -0.0000000), wk = 0.0017483 k( 86) = ( 0.1504914 0.5813594 -0.0000000), wk = 0.0017483 k( 87) = ( 0.1404586 0.5813594 -0.0000000), wk = 0.0017483 k( 88) = ( 0.1304259 0.5813594 -0.0000000), wk = 0.0017483 k( 89) = ( 0.1203931 0.5813594 -0.0000000), wk = 0.0017483 k( 90) = ( 0.1103603 0.5813594 -0.0000000), wk = 0.0017483 k( 91) = ( 0.1003276 0.5813594 -0.0000000), wk = 0.0017483 k( 92) = ( 0.0902948 0.5813594 -0.0000000), wk = 0.0017483 k( 93) = ( 0.0802621 0.5813594 -0.0000000), wk = 0.0017483 k( 94) = ( 0.0702293 0.5813594 -0.0000000), wk = 0.0017483 k( 95) = ( 0.0601966 0.5813594 -0.0000000), wk = 0.0017483 k( 96) = ( 0.0501638 0.5813594 -0.0000000), wk = 0.0017483 k( 97) = ( 0.0401310 0.5813594 -0.0000000), wk = 0.0017483 k( 98) = ( 0.0300983 0.5813594 -0.0000000), wk = 0.0017483 k( 99) = ( 0.0200655 0.5813594 -0.0000000), wk = 0.0017483 k( 100) = ( 0.0100328 0.5813594 -0.0000000), wk = 0.0017483 k( 101) = ( 0.0000000 0.5813594 -0.0000000), wk = 0.0017483 k( 102) = ( 0.0000000 0.5813594 -0.0000000), wk = 0.0017483 k( 103) = ( 0.0000000 0.5813594 0.0099743), wk = 0.0017483 k( 104) = ( 0.0000000 0.5813594 0.0199487), wk = 0.0017483 k( 105) = ( 0.0000000 0.5813594 0.0299230), wk = 0.0017483 k( 106) = ( 0.0000000 0.5813594 0.0398973), wk = 0.0017483 k( 107) = ( 0.0000000 0.5813594 0.0498717), wk = 0.0017483 k( 108) = ( 0.0000000 0.5813594 0.0598460), wk = 0.0017483 k( 109) = ( 0.0000000 0.5813594 0.0698203), wk = 0.0017483 k( 110) = ( 0.0000000 0.5813594 0.0797946), wk = 0.0017483 k( 111) = ( 0.0000000 0.5813594 0.0897690), wk = 0.0017483 k( 112) = ( 0.0000000 0.5813594 0.0997433), wk = 0.0017483 k( 113) = ( 0.0000000 0.5813594 0.1097176), wk = 0.0017483 k( 114) = ( 0.0000000 0.5813594 0.1196920), wk = 0.0017483 k( 115) = ( 0.0000000 0.5813594 0.1296663), wk = 0.0017483 k( 116) = ( 0.0000000 0.5813594 0.1396406), wk = 0.0017483 k( 117) = ( 0.0000000 0.5813594 0.1496150), wk = 0.0017483 k( 118) = ( 0.0000000 0.5813594 0.1595893), wk = 0.0017483 k( 119) = ( 0.0000000 0.5813594 0.1695636), wk = 0.0017483 k( 120) = ( 0.0000000 0.5813594 0.1795379), wk = 0.0017483 k( 121) = ( 0.0000000 0.5813594 0.1895123), wk = 0.0017483 k( 122) = ( 0.0000000 0.5813594 0.1994866), wk = 0.0017483 k( 123) = ( 0.0000000 0.5813594 0.2094609), wk = 0.0017483 k( 124) = ( 0.0000000 0.5813594 0.2194353), wk = 0.0017483 k( 125) = ( 0.0000000 0.5813594 0.2294096), wk = 0.0017483 k( 126) = ( 0.0000000 0.5813594 0.2393839), wk = 0.0017483 k( 127) = ( 0.0000000 0.5813594 0.2493582), wk = 0.0017483 k( 128) = ( 0.0000000 0.5813594 0.2593326), wk = 0.0017483 k( 129) = ( 0.0000000 0.5813594 0.2693069), wk = 0.0017483 k( 130) = ( 0.0000000 0.5813594 0.2792812), wk = 0.0017483 k( 131) = ( 0.0000000 0.5813594 0.2892556), wk = 0.0017483 k( 132) = ( 0.0000000 0.5813594 0.2992299), wk = 0.0017483 k( 133) = ( 0.0000000 0.5813594 0.3092042), wk = 0.0017483 k( 134) = ( 0.0000000 0.5813594 0.3191786), wk = 0.0017483 k( 135) = ( 0.0000000 0.5813594 0.3291529), wk = 0.0017483 k( 136) = ( 0.0000000 0.5813594 0.3391272), wk = 0.0017483 k( 137) = ( 0.0000000 0.5813594 0.3491015), wk = 0.0017483 k( 138) = ( 0.0000000 0.5813594 0.3590759), wk = 0.0017483 k( 139) = ( 0.0000000 0.5813594 0.3690502), wk = 0.0017483 k( 140) = ( 0.0000000 0.5813594 0.3790245), wk = 0.0017483 k( 141) = ( 0.0000000 0.5813594 0.3889989), wk = 0.0017483 k( 142) = ( 0.0000000 0.5813594 0.3989732), wk = 0.0017483 k( 143) = ( 0.0000000 0.5813594 0.4089475), wk = 0.0017483 k( 144) = ( 0.0000000 0.5813594 0.4189219), wk = 0.0017483 k( 145) = ( 0.0000000 0.5813594 0.4288962), wk = 0.0017483 k( 146) = ( 0.0000000 0.5813594 0.4388705), wk = 0.0017483 k( 147) = ( 0.0000000 0.5813594 0.4488448), wk = 0.0017483 k( 148) = ( 0.0000000 0.5813594 0.4488448), wk = 0.0017483 k( 149) = ( 0.0100328 0.5813594 0.4488448), wk = 0.0017483 k( 150) = ( 0.0200655 0.5813594 0.4488448), wk = 0.0017483 k( 151) = ( 0.0300983 0.5813594 0.4488448), wk = 0.0017483 k( 152) = ( 0.0401310 0.5813594 0.4488448), wk = 0.0017483 k( 153) = ( 0.0501638 0.5813594 0.4488448), wk = 0.0017483 k( 154) = ( 0.0601966 0.5813594 0.4488448), wk = 0.0017483 k( 155) = ( 0.0702293 0.5813594 0.4488448), wk = 0.0017483 k( 156) = ( 0.0802621 0.5813594 0.4488448), wk = 0.0017483 k( 157) = ( 0.0902948 0.5813594 0.4488448), wk = 0.0017483 k( 158) = ( 0.1003276 0.5813594 0.4488448), wk = 0.0017483 k( 159) = ( 0.1103603 0.5813594 0.4488448), wk = 0.0017483 k( 160) = ( 0.1203931 0.5813594 0.4488448), wk = 0.0017483 k( 161) = ( 0.1304259 0.5813594 0.4488448), wk = 0.0017483 k( 162) = ( 0.1404586 0.5813594 0.4488448), wk = 0.0017483 k( 163) = ( 0.1504914 0.5813594 0.4488448), wk = 0.0017483 k( 164) = ( 0.1605241 0.5813594 0.4488448), wk = 0.0017483 k( 165) = ( 0.1705569 0.5813594 0.4488448), wk = 0.0017483 k( 166) = ( 0.1805896 0.5813594 0.4488448), wk = 0.0017483 k( 167) = ( 0.1906224 0.5813594 0.4488448), wk = 0.0017483 k( 168) = ( 0.2006552 0.5813594 0.4488448), wk = 0.0017483 k( 169) = ( 0.2106879 0.5813594 0.4488448), wk = 0.0017483 k( 170) = ( 0.2207207 0.5813594 0.4488448), wk = 0.0017483 k( 171) = ( 0.2307534 0.5813594 0.4488448), wk = 0.0017483 k( 172) = ( 0.2407862 0.5813594 0.4488448), wk = 0.0017483 k( 173) = ( 0.2508189 0.5813594 0.4488448), wk = 0.0017483 k( 174) = ( 0.2608517 0.5813594 0.4488448), wk = 0.0017483 k( 175) = ( 0.2708845 0.5813594 0.4488448), wk = 0.0017483 k( 176) = ( 0.2809172 0.5813594 0.4488448), wk = 0.0017483 k( 177) = ( 0.2909500 0.5813594 0.4488448), wk = 0.0017483 k( 178) = ( 0.3009828 0.5813594 0.4488448), wk = 0.0017483 k( 179) = ( 0.3110155 0.5813594 0.4488448), wk = 0.0017483 k( 180) = ( 0.3210483 0.5813594 0.4488448), wk = 0.0017483 k( 181) = ( 0.3310810 0.5813594 0.4488448), wk = 0.0017483 k( 182) = ( 0.3310810 0.5813594 0.4488448), wk = 0.0017483 k( 183) = ( 0.3260646 0.5725509 0.4488448), wk = 0.0017483 k( 184) = ( 0.3210483 0.5637424 0.4488448), wk = 0.0017483 k( 185) = ( 0.3160319 0.5549340 0.4488448), wk = 0.0017483 k( 186) = ( 0.3110155 0.5461255 0.4488448), wk = 0.0017483 k( 187) = ( 0.3059991 0.5373170 0.4488448), wk = 0.0017483 k( 188) = ( 0.3009828 0.5285085 0.4488448), wk = 0.0017483 k( 189) = ( 0.2959664 0.5197001 0.4488448), wk = 0.0017483 k( 190) = ( 0.2909500 0.5108916 0.4488448), wk = 0.0017483 k( 191) = ( 0.2859336 0.5020831 0.4488448), wk = 0.0017483 k( 192) = ( 0.2809172 0.4932746 0.4488448), wk = 0.0017483 k( 193) = ( 0.2759008 0.4844662 0.4488448), wk = 0.0017483 k( 194) = ( 0.2708845 0.4756577 0.4488448), wk = 0.0017483 k( 195) = ( 0.2658681 0.4668492 0.4488448), wk = 0.0017483 k( 196) = ( 0.2608517 0.4580407 0.4488448), wk = 0.0017483 k( 197) = ( 0.2558353 0.4492322 0.4488448), wk = 0.0017483 k( 198) = ( 0.2508189 0.4404238 0.4488448), wk = 0.0017483 k( 199) = ( 0.2458026 0.4316153 0.4488448), wk = 0.0017483 k( 200) = ( 0.2407862 0.4228068 0.4488448), wk = 0.0017483 k( 201) = ( 0.2357698 0.4139984 0.4488448), wk = 0.0017483 k( 202) = ( 0.2307534 0.4051899 0.4488448), wk = 0.0017483 k( 203) = ( 0.2257371 0.3963814 0.4488448), wk = 0.0017483 k( 204) = ( 0.2207207 0.3875729 0.4488448), wk = 0.0017483 k( 205) = ( 0.2157043 0.3787644 0.4488448), wk = 0.0017483 k( 206) = ( 0.2106879 0.3699560 0.4488448), wk = 0.0017483 k( 207) = ( 0.2056715 0.3611475 0.4488448), wk = 0.0017483 k( 208) = ( 0.2006552 0.3523390 0.4488448), wk = 0.0017483 k( 209) = ( 0.1956388 0.3435305 0.4488448), wk = 0.0017483 k( 210) = ( 0.1906224 0.3347221 0.4488448), wk = 0.0017483 k( 211) = ( 0.1856060 0.3259136 0.4488448), wk = 0.0017483 k( 212) = ( 0.1805896 0.3171051 0.4488448), wk = 0.0017483 k( 213) = ( 0.1755733 0.3082966 0.4488448), wk = 0.0017483 k( 214) = ( 0.1705569 0.2994882 0.4488448), wk = 0.0017483 k( 215) = ( 0.1655405 0.2906797 0.4488448), wk = 0.0017483 k( 216) = ( 0.1605241 0.2818712 0.4488448), wk = 0.0017483 k( 217) = ( 0.1555078 0.2730627 0.4488448), wk = 0.0017483 k( 218) = ( 0.1504914 0.2642543 0.4488448), wk = 0.0017483 k( 219) = ( 0.1454750 0.2554458 0.4488448), wk = 0.0017483 k( 220) = ( 0.1404586 0.2466373 0.4488448), wk = 0.0017483 k( 221) = ( 0.1354422 0.2378288 0.4488448), wk = 0.0017483 k( 222) = ( 0.1304259 0.2290204 0.4488448), wk = 0.0017483 k( 223) = ( 0.1254095 0.2202119 0.4488448), wk = 0.0017483 k( 224) = ( 0.1203931 0.2114034 0.4488448), wk = 0.0017483 k( 225) = ( 0.1153767 0.2025949 0.4488448), wk = 0.0017483 k( 226) = ( 0.1103603 0.1937865 0.4488448), wk = 0.0017483 k( 227) = ( 0.1053440 0.1849780 0.4488448), wk = 0.0017483 k( 228) = ( 0.1003276 0.1761695 0.4488448), wk = 0.0017483 k( 229) = ( 0.0953112 0.1673610 0.4488448), wk = 0.0017483 k( 230) = ( 0.0902948 0.1585526 0.4488448), wk = 0.0017483 k( 231) = ( 0.0852784 0.1497441 0.4488448), wk = 0.0017483 k( 232) = ( 0.0802621 0.1409356 0.4488448), wk = 0.0017483 k( 233) = ( 0.0752457 0.1321271 0.4488448), wk = 0.0017483 k( 234) = ( 0.0702293 0.1233187 0.4488448), wk = 0.0017483 k( 235) = ( 0.0652129 0.1145102 0.4488448), wk = 0.0017483 k( 236) = ( 0.0601966 0.1057017 0.4488448), wk = 0.0017483 k( 237) = ( 0.0551802 0.0968932 0.4488448), wk = 0.0017483 k( 238) = ( 0.0501638 0.0880848 0.4488448), wk = 0.0017483 k( 239) = ( 0.0451474 0.0792763 0.4488448), wk = 0.0017483 k( 240) = ( 0.0401310 0.0704678 0.4488448), wk = 0.0017483 k( 241) = ( 0.0351146 0.0616593 0.4488448), wk = 0.0017483 k( 242) = ( 0.0300983 0.0528508 0.4488448), wk = 0.0017483 k( 243) = ( 0.0250819 0.0440424 0.4488448), wk = 0.0017483 k( 244) = ( 0.0200655 0.0352339 0.4488448), wk = 0.0017483 k( 245) = ( 0.0150491 0.0264254 0.4488448), wk = 0.0017483 k( 246) = ( 0.0100328 0.0176170 0.4488448), wk = 0.0017483 k( 247) = ( 0.0050164 0.0088085 0.4488448), wk = 0.0017483 k( 248) = ( 0.0000000 0.0000000 0.4488448), wk = 0.0017483 k( 249) = ( 0.0000000 0.0000000 0.4488448), wk = 0.0017483 k( 250) = ( 0.0000000 0.0000000 0.4388705), wk = 0.0017483 k( 251) = ( 0.0000000 0.0000000 0.4288962), wk = 0.0017483 k( 252) = ( 0.0000000 0.0000000 0.4189219), wk = 0.0017483 k( 253) = ( 0.0000000 0.0000000 0.4089475), wk = 0.0017483 k( 254) = ( 0.0000000 0.0000000 0.3989732), wk = 0.0017483 k( 255) = ( 0.0000000 0.0000000 0.3889989), wk = 0.0017483 k( 256) = ( 0.0000000 0.0000000 0.3790245), wk = 0.0017483 k( 257) = ( 0.0000000 0.0000000 0.3690502), wk = 0.0017483 k( 258) = ( 0.0000000 0.0000000 0.3590759), wk = 0.0017483 k( 259) = ( 0.0000000 0.0000000 0.3491015), wk = 0.0017483 k( 260) = ( 0.0000000 0.0000000 0.3391272), wk = 0.0017483 k( 261) = ( 0.0000000 0.0000000 0.3291529), wk = 0.0017483 k( 262) = ( 0.0000000 0.0000000 0.3191786), wk = 0.0017483 k( 263) = ( 0.0000000 0.0000000 0.3092042), wk = 0.0017483 k( 264) = ( 0.0000000 0.0000000 0.2992299), wk = 0.0017483 k( 265) = ( 0.0000000 0.0000000 0.2892556), wk = 0.0017483 k( 266) = ( 0.0000000 0.0000000 0.2792812), wk = 0.0017483 k( 267) = ( 0.0000000 0.0000000 0.2693069), wk = 0.0017483 k( 268) = ( 0.0000000 0.0000000 0.2593326), wk = 0.0017483 k( 269) = ( 0.0000000 0.0000000 0.2493582), wk = 0.0017483 k( 270) = ( 0.0000000 0.0000000 0.2393839), wk = 0.0017483 k( 271) = ( 0.0000000 0.0000000 0.2294096), wk = 0.0017483 k( 272) = ( 0.0000000 0.0000000 0.2194353), wk = 0.0017483 k( 273) = ( 0.0000000 0.0000000 0.2094609), wk = 0.0017483 k( 274) = ( 0.0000000 0.0000000 0.1994866), wk = 0.0017483 k( 275) = ( 0.0000000 0.0000000 0.1895123), wk = 0.0017483 k( 276) = ( 0.0000000 0.0000000 0.1795379), wk = 0.0017483 k( 277) = ( 0.0000000 0.0000000 0.1695636), wk = 0.0017483 k( 278) = ( 0.0000000 0.0000000 0.1595893), wk = 0.0017483 k( 279) = ( 0.0000000 0.0000000 0.1496150), wk = 0.0017483 k( 280) = ( 0.0000000 0.0000000 0.1396406), wk = 0.0017483 k( 281) = ( 0.0000000 0.0000000 0.1296663), wk = 0.0017483 k( 282) = ( 0.0000000 0.0000000 0.1196920), wk = 0.0017483 k( 283) = ( 0.0000000 0.0000000 0.1097176), wk = 0.0017483 k( 284) = ( 0.0000000 0.0000000 0.0997433), wk = 0.0017483 k( 285) = ( 0.0000000 0.0000000 0.0897690), wk = 0.0017483 k( 286) = ( 0.0000000 0.0000000 0.0797946), wk = 0.0017483 k( 287) = ( 0.0000000 0.0000000 0.0698203), wk = 0.0017483 k( 288) = ( 0.0000000 0.0000000 0.0598460), wk = 0.0017483 k( 289) = ( 0.0000000 0.0000000 0.0498717), wk = 0.0017483 k( 290) = ( 0.0000000 0.0000000 0.0398973), wk = 0.0017483 k( 291) = ( 0.0000000 0.0000000 0.0299230), wk = 0.0017483 k( 292) = ( 0.0000000 0.0000000 0.0199487), wk = 0.0017483 k( 293) = ( 0.0000000 0.0000000 0.0099743), wk = 0.0017483 k( 294) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017483 k( 295) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017483 k( 296) = ( -0.0087719 0.0049956 0.0000000), wk = 0.0017483 k( 297) = ( -0.0175439 0.0099911 0.0000000), wk = 0.0017483 k( 298) = ( -0.0263158 0.0149867 0.0000000), wk = 0.0017483 k( 299) = ( -0.0350877 0.0199823 0.0000000), wk = 0.0017483 k( 300) = ( -0.0438597 0.0249778 0.0000000), wk = 0.0017483 k( 301) = ( -0.0526316 0.0299734 0.0000000), wk = 0.0017483 k( 302) = ( -0.0614035 0.0349690 0.0000000), wk = 0.0017483 k( 303) = ( -0.0701754 0.0399645 0.0000000), wk = 0.0017483 k( 304) = ( -0.0789474 0.0449601 0.0000000), wk = 0.0017483 k( 305) = ( -0.0877193 0.0499557 0.0000000), wk = 0.0017483 k( 306) = ( -0.0964912 0.0549512 0.0000000), wk = 0.0017483 k( 307) = ( -0.1052632 0.0599468 0.0000000), wk = 0.0017483 k( 308) = ( -0.1140351 0.0649424 0.0000000), wk = 0.0017483 k( 309) = ( -0.1228070 0.0699379 0.0000000), wk = 0.0017483 k( 310) = ( -0.1315790 0.0749335 0.0000000), wk = 0.0017483 k( 311) = ( -0.1403509 0.0799291 0.0000000), wk = 0.0017483 k( 312) = ( -0.1491228 0.0849246 0.0000000), wk = 0.0017483 k( 313) = ( -0.1578947 0.0899202 0.0000000), wk = 0.0017483 k( 314) = ( -0.1666667 0.0949158 0.0000000), wk = 0.0017483 k( 315) = ( -0.1754386 0.0999113 0.0000000), wk = 0.0017483 k( 316) = ( -0.1842105 0.1049069 0.0000000), wk = 0.0017483 k( 317) = ( -0.1929825 0.1099025 0.0000000), wk = 0.0017483 k( 318) = ( -0.2017544 0.1148980 0.0000000), wk = 0.0017483 k( 319) = ( -0.2105263 0.1198936 0.0000000), wk = 0.0017483 k( 320) = ( -0.2192983 0.1248892 0.0000000), wk = 0.0017483 k( 321) = ( -0.2280702 0.1298847 0.0000000), wk = 0.0017483 k( 322) = ( -0.2368421 0.1348803 0.0000000), wk = 0.0017483 k( 323) = ( -0.2456140 0.1398759 0.0000000), wk = 0.0017483 k( 324) = ( -0.2543860 0.1448714 0.0000000), wk = 0.0017483 k( 325) = ( -0.2631579 0.1498670 0.0000000), wk = 0.0017483 k( 326) = ( -0.2719298 0.1548626 0.0000000), wk = 0.0017483 k( 327) = ( -0.2807018 0.1598581 0.0000000), wk = 0.0017483 k( 328) = ( -0.2894737 0.1648537 0.0000000), wk = 0.0017483 k( 329) = ( -0.2982456 0.1698493 0.0000000), wk = 0.0017483 k( 330) = ( -0.3070175 0.1748448 0.0000000), wk = 0.0017483 k( 331) = ( -0.3157895 0.1798404 0.0000000), wk = 0.0017483 k( 332) = ( -0.3245614 0.1848360 0.0000000), wk = 0.0017483 k( 333) = ( -0.3333333 0.1898315 0.0000000), wk = 0.0017483 k( 334) = ( -0.3421053 0.1948271 0.0000000), wk = 0.0017483 k( 335) = ( -0.3508772 0.1998227 0.0000000), wk = 0.0017483 k( 336) = ( -0.3596491 0.2048182 0.0000000), wk = 0.0017483 k( 337) = ( -0.3684211 0.2098138 0.0000000), wk = 0.0017483 k( 338) = ( -0.3771930 0.2148094 0.0000000), wk = 0.0017483 k( 339) = ( -0.3859649 0.2198049 0.0000000), wk = 0.0017483 k( 340) = ( -0.3947368 0.2248005 0.0000000), wk = 0.0017483 k( 341) = ( -0.4035088 0.2297961 0.0000000), wk = 0.0017483 k( 342) = ( -0.4122807 0.2347916 0.0000000), wk = 0.0017483 k( 343) = ( -0.4210526 0.2397872 0.0000000), wk = 0.0017483 k( 344) = ( -0.4298246 0.2447828 0.0000000), wk = 0.0017483 k( 345) = ( -0.4385965 0.2497783 0.0000000), wk = 0.0017483 k( 346) = ( -0.4473684 0.2547739 0.0000000), wk = 0.0017483 k( 347) = ( -0.4561404 0.2597695 0.0000000), wk = 0.0017483 k( 348) = ( -0.4649123 0.2647650 0.0000000), wk = 0.0017483 k( 349) = ( -0.4736842 0.2697606 0.0000000), wk = 0.0017483 k( 350) = ( -0.4824561 0.2747562 0.0000000), wk = 0.0017483 k( 351) = ( -0.4912281 0.2797517 0.0000000), wk = 0.0017483 k( 352) = ( -0.5000000 0.2847473 0.0000000), wk = 0.0017483 k( 353) = ( -0.5000000 0.2847473 0.0000000), wk = 0.0017483 k( 354) = ( -0.4950318 0.2934712 -0.0000000), wk = 0.0017483 k( 355) = ( -0.4900636 0.3021951 -0.0000000), wk = 0.0017483 k( 356) = ( -0.4850954 0.3109190 -0.0000000), wk = 0.0017483 k( 357) = ( -0.4801272 0.3196428 -0.0000000), wk = 0.0017483 k( 358) = ( -0.4751590 0.3283667 -0.0000000), wk = 0.0017483 k( 359) = ( -0.4701908 0.3370906 -0.0000000), wk = 0.0017483 k( 360) = ( -0.4652226 0.3458145 -0.0000000), wk = 0.0017483 k( 361) = ( -0.4602544 0.3545384 -0.0000000), wk = 0.0017483 k( 362) = ( -0.4552862 0.3632623 -0.0000000), wk = 0.0017483 k( 363) = ( -0.4503180 0.3719861 -0.0000000), wk = 0.0017483 k( 364) = ( -0.4453497 0.3807100 -0.0000000), wk = 0.0017483 k( 365) = ( -0.4403815 0.3894339 -0.0000000), wk = 0.0017483 k( 366) = ( -0.4354133 0.3981578 -0.0000000), wk = 0.0017483 k( 367) = ( -0.4304451 0.4068817 -0.0000000), wk = 0.0017483 k( 368) = ( -0.4254769 0.4156056 -0.0000000), wk = 0.0017483 k( 369) = ( -0.4205087 0.4243294 -0.0000000), wk = 0.0017483 k( 370) = ( -0.4155405 0.4330533 -0.0000000), wk = 0.0017483 k( 371) = ( -0.4105723 0.4417772 -0.0000000), wk = 0.0017483 k( 372) = ( -0.4056041 0.4505011 -0.0000000), wk = 0.0017483 k( 373) = ( -0.4006359 0.4592250 -0.0000000), wk = 0.0017483 k( 374) = ( -0.3956677 0.4679489 -0.0000000), wk = 0.0017483 k( 375) = ( -0.3906995 0.4766728 -0.0000000), wk = 0.0017483 k( 376) = ( -0.3857313 0.4853966 -0.0000000), wk = 0.0017483 k( 377) = ( -0.3807631 0.4941205 -0.0000000), wk = 0.0017483 k( 378) = ( -0.3757949 0.5028444 -0.0000000), wk = 0.0017483 k( 379) = ( -0.3708267 0.5115683 -0.0000000), wk = 0.0017483 k( 380) = ( -0.3658585 0.5202922 -0.0000000), wk = 0.0017483 k( 381) = ( -0.3608903 0.5290161 -0.0000000), wk = 0.0017483 k( 382) = ( -0.3559220 0.5377400 -0.0000000), wk = 0.0017483 k( 383) = ( -0.3509538 0.5464638 -0.0000000), wk = 0.0017483 k( 384) = ( -0.3459856 0.5551877 -0.0000000), wk = 0.0017483 k( 385) = ( -0.3410174 0.5639116 -0.0000000), wk = 0.0017483 k( 386) = ( -0.3360492 0.5726355 -0.0000000), wk = 0.0017483 k( 387) = ( -0.3310810 0.5813594 -0.0000000), wk = 0.0017483 k( 388) = ( -0.3310810 0.5813594 -0.0000000), wk = 0.0017483 k( 389) = ( -0.3310810 0.5813594 0.0099743), wk = 0.0017483 k( 390) = ( -0.3310810 0.5813594 0.0199487), wk = 0.0017483 k( 391) = ( -0.3310810 0.5813594 0.0299230), wk = 0.0017483 k( 392) = ( -0.3310810 0.5813594 0.0398973), wk = 0.0017483 k( 393) = ( -0.3310810 0.5813594 0.0498717), wk = 0.0017483 k( 394) = ( -0.3310810 0.5813594 0.0598460), wk = 0.0017483 k( 395) = ( -0.3310810 0.5813594 0.0698203), wk = 0.0017483 k( 396) = ( -0.3310810 0.5813594 0.0797946), wk = 0.0017483 k( 397) = ( -0.3310810 0.5813594 0.0897690), wk = 0.0017483 k( 398) = ( -0.3310810 0.5813594 0.0997433), wk = 0.0017483 k( 399) = ( -0.3310810 0.5813594 0.1097176), wk = 0.0017483 k( 400) = ( -0.3310810 0.5813594 0.1196920), wk = 0.0017483 k( 401) = ( -0.3310810 0.5813594 0.1296663), wk = 0.0017483 k( 402) = ( -0.3310810 0.5813594 0.1396406), wk = 0.0017483 k( 403) = ( -0.3310810 0.5813594 0.1496150), wk = 0.0017483 k( 404) = ( -0.3310810 0.5813594 0.1595893), wk = 0.0017483 k( 405) = ( -0.3310810 0.5813594 0.1695636), wk = 0.0017483 k( 406) = ( -0.3310810 0.5813594 0.1795379), wk = 0.0017483 k( 407) = ( -0.3310810 0.5813594 0.1895123), wk = 0.0017483 k( 408) = ( -0.3310810 0.5813594 0.1994866), wk = 0.0017483 k( 409) = ( -0.3310810 0.5813594 0.2094609), wk = 0.0017483 k( 410) = ( -0.3310810 0.5813594 0.2194353), wk = 0.0017483 k( 411) = ( -0.3310810 0.5813594 0.2294096), wk = 0.0017483 k( 412) = ( -0.3310810 0.5813594 0.2393839), wk = 0.0017483 k( 413) = ( -0.3310810 0.5813594 0.2493582), wk = 0.0017483 k( 414) = ( -0.3310810 0.5813594 0.2593326), wk = 0.0017483 k( 415) = ( -0.3310810 0.5813594 0.2693069), wk = 0.0017483 k( 416) = ( -0.3310810 0.5813594 0.2792812), wk = 0.0017483 k( 417) = ( -0.3310810 0.5813594 0.2892556), wk = 0.0017483 k( 418) = ( -0.3310810 0.5813594 0.2992299), wk = 0.0017483 k( 419) = ( -0.3310810 0.5813594 0.3092042), wk = 0.0017483 k( 420) = ( -0.3310810 0.5813594 0.3191786), wk = 0.0017483 k( 421) = ( -0.3310810 0.5813594 0.3291529), wk = 0.0017483 k( 422) = ( -0.3310810 0.5813594 0.3391272), wk = 0.0017483 k( 423) = ( -0.3310810 0.5813594 0.3491015), wk = 0.0017483 k( 424) = ( -0.3310810 0.5813594 0.3590759), wk = 0.0017483 k( 425) = ( -0.3310810 0.5813594 0.3690502), wk = 0.0017483 k( 426) = ( -0.3310810 0.5813594 0.3790245), wk = 0.0017483 k( 427) = ( -0.3310810 0.5813594 0.3889989), wk = 0.0017483 k( 428) = ( -0.3310810 0.5813594 0.3989732), wk = 0.0017483 k( 429) = ( -0.3310810 0.5813594 0.4089475), wk = 0.0017483 k( 430) = ( -0.3310810 0.5813594 0.4189219), wk = 0.0017483 k( 431) = ( -0.3310810 0.5813594 0.4288962), wk = 0.0017483 k( 432) = ( -0.3310810 0.5813594 0.4388705), wk = 0.0017483 k( 433) = ( -0.3310810 0.5813594 0.4488448), wk = 0.0017483 k( 434) = ( -0.3310810 0.5813594 0.4488448), wk = 0.0017483 k( 435) = ( -0.3360492 0.5726355 0.4488448), wk = 0.0017483 k( 436) = ( -0.3410174 0.5639116 0.4488448), wk = 0.0017483 k( 437) = ( -0.3459856 0.5551877 0.4488448), wk = 0.0017483 k( 438) = ( -0.3509538 0.5464638 0.4488448), wk = 0.0017483 k( 439) = ( -0.3559220 0.5377400 0.4488448), wk = 0.0017483 k( 440) = ( -0.3608903 0.5290161 0.4488448), wk = 0.0017483 k( 441) = ( -0.3658585 0.5202922 0.4488448), wk = 0.0017483 k( 442) = ( -0.3708267 0.5115683 0.4488448), wk = 0.0017483 k( 443) = ( -0.3757949 0.5028444 0.4488448), wk = 0.0017483 k( 444) = ( -0.3807631 0.4941205 0.4488448), wk = 0.0017483 k( 445) = ( -0.3857313 0.4853966 0.4488448), wk = 0.0017483 k( 446) = ( -0.3906995 0.4766728 0.4488448), wk = 0.0017483 k( 447) = ( -0.3956677 0.4679489 0.4488448), wk = 0.0017483 k( 448) = ( -0.4006359 0.4592250 0.4488448), wk = 0.0017483 k( 449) = ( -0.4056041 0.4505011 0.4488448), wk = 0.0017483 k( 450) = ( -0.4105723 0.4417772 0.4488448), wk = 0.0017483 k( 451) = ( -0.4155405 0.4330533 0.4488448), wk = 0.0017483 k( 452) = ( -0.4205087 0.4243294 0.4488448), wk = 0.0017483 k( 453) = ( -0.4254769 0.4156056 0.4488448), wk = 0.0017483 k( 454) = ( -0.4304451 0.4068817 0.4488448), wk = 0.0017483 k( 455) = ( -0.4354133 0.3981578 0.4488448), wk = 0.0017483 k( 456) = ( -0.4403815 0.3894339 0.4488448), wk = 0.0017483 k( 457) = ( -0.4453497 0.3807100 0.4488448), wk = 0.0017483 k( 458) = ( -0.4503180 0.3719861 0.4488448), wk = 0.0017483 k( 459) = ( -0.4552862 0.3632623 0.4488448), wk = 0.0017483 k( 460) = ( -0.4602544 0.3545384 0.4488448), wk = 0.0017483 k( 461) = ( -0.4652226 0.3458145 0.4488448), wk = 0.0017483 k( 462) = ( -0.4701908 0.3370906 0.4488448), wk = 0.0017483 k( 463) = ( -0.4751590 0.3283667 0.4488448), wk = 0.0017483 k( 464) = ( -0.4801272 0.3196428 0.4488448), wk = 0.0017483 k( 465) = ( -0.4850954 0.3109190 0.4488448), wk = 0.0017483 k( 466) = ( -0.4900636 0.3021951 0.4488448), wk = 0.0017483 k( 467) = ( -0.4950318 0.2934712 0.4488448), wk = 0.0017483 k( 468) = ( -0.5000000 0.2847473 0.4488448), wk = 0.0017483 k( 469) = ( -0.5000000 0.2847473 0.4488448), wk = 0.0017483 k( 470) = ( -0.5000000 0.2847473 0.4388705), wk = 0.0017483 k( 471) = ( -0.5000000 0.2847473 0.4288962), wk = 0.0017483 k( 472) = ( -0.5000000 0.2847473 0.4189219), wk = 0.0017483 k( 473) = ( -0.5000000 0.2847473 0.4089475), wk = 0.0017483 k( 474) = ( -0.5000000 0.2847473 0.3989732), wk = 0.0017483 k( 475) = ( -0.5000000 0.2847473 0.3889989), wk = 0.0017483 k( 476) = ( -0.5000000 0.2847473 0.3790245), wk = 0.0017483 k( 477) = ( -0.5000000 0.2847473 0.3690502), wk = 0.0017483 k( 478) = ( -0.5000000 0.2847473 0.3590759), wk = 0.0017483 k( 479) = ( -0.5000000 0.2847473 0.3491015), wk = 0.0017483 k( 480) = ( -0.5000000 0.2847473 0.3391272), wk = 0.0017483 k( 481) = ( -0.5000000 0.2847473 0.3291529), wk = 0.0017483 k( 482) = ( -0.5000000 0.2847473 0.3191786), wk = 0.0017483 k( 483) = ( -0.5000000 0.2847473 0.3092042), wk = 0.0017483 k( 484) = ( -0.5000000 0.2847473 0.2992299), wk = 0.0017483 k( 485) = ( -0.5000000 0.2847473 0.2892556), wk = 0.0017483 k( 486) = ( -0.5000000 0.2847473 0.2792812), wk = 0.0017483 k( 487) = ( -0.5000000 0.2847473 0.2693069), wk = 0.0017483 k( 488) = ( -0.5000000 0.2847473 0.2593326), wk = 0.0017483 k( 489) = ( -0.5000000 0.2847473 0.2493582), wk = 0.0017483 k( 490) = ( -0.5000000 0.2847473 0.2393839), wk = 0.0017483 k( 491) = ( -0.5000000 0.2847473 0.2294096), wk = 0.0017483 k( 492) = ( -0.5000000 0.2847473 0.2194353), wk = 0.0017483 k( 493) = ( -0.5000000 0.2847473 0.2094609), wk = 0.0017483 k( 494) = ( -0.5000000 0.2847473 0.1994866), wk = 0.0017483 k( 495) = ( -0.5000000 0.2847473 0.1895123), wk = 0.0017483 k( 496) = ( -0.5000000 0.2847473 0.1795379), wk = 0.0017483 k( 497) = ( -0.5000000 0.2847473 0.1695636), wk = 0.0017483 k( 498) = ( -0.5000000 0.2847473 0.1595893), wk = 0.0017483 k( 499) = ( -0.5000000 0.2847473 0.1496150), wk = 0.0017483 k( 500) = ( -0.5000000 0.2847473 0.1396406), wk = 0.0017483 k( 501) = ( -0.5000000 0.2847473 0.1296663), wk = 0.0017483 k( 502) = ( -0.5000000 0.2847473 0.1196920), wk = 0.0017483 k( 503) = ( -0.5000000 0.2847473 0.1097176), wk = 0.0017483 k( 504) = ( -0.5000000 0.2847473 0.0997433), wk = 0.0017483 k( 505) = ( -0.5000000 0.2847473 0.0897690), wk = 0.0017483 k( 506) = ( -0.5000000 0.2847473 0.0797946), wk = 0.0017483 k( 507) = ( -0.5000000 0.2847473 0.0698203), wk = 0.0017483 k( 508) = ( -0.5000000 0.2847473 0.0598460), wk = 0.0017483 k( 509) = ( -0.5000000 0.2847473 0.0498717), wk = 0.0017483 k( 510) = ( -0.5000000 0.2847473 0.0398973), wk = 0.0017483 k( 511) = ( -0.5000000 0.2847473 0.0299230), wk = 0.0017483 k( 512) = ( -0.5000000 0.2847473 0.0199487), wk = 0.0017483 k( 513) = ( -0.5000000 0.2847473 0.0099743), wk = 0.0017483 k( 514) = ( -0.5000000 0.2847473 0.0000000), wk = 0.0017483 k( 515) = ( 0.0000000 0.0000000 0.4488448), wk = 0.0017483 k( 516) = ( -0.0087719 0.0049956 0.4488448), wk = 0.0017483 k( 517) = ( -0.0175439 0.0099911 0.4488448), wk = 0.0017483 k( 518) = ( -0.0263158 0.0149867 0.4488448), wk = 0.0017483 k( 519) = ( -0.0350877 0.0199823 0.4488448), wk = 0.0017483 k( 520) = ( -0.0438597 0.0249778 0.4488448), wk = 0.0017483 k( 521) = ( -0.0526316 0.0299734 0.4488448), wk = 0.0017483 k( 522) = ( -0.0614035 0.0349690 0.4488448), wk = 0.0017483 k( 523) = ( -0.0701754 0.0399645 0.4488448), wk = 0.0017483 k( 524) = ( -0.0789474 0.0449601 0.4488448), wk = 0.0017483 k( 525) = ( -0.0877193 0.0499557 0.4488448), wk = 0.0017483 k( 526) = ( -0.0964912 0.0549512 0.4488448), wk = 0.0017483 k( 527) = ( -0.1052632 0.0599468 0.4488448), wk = 0.0017483 k( 528) = ( -0.1140351 0.0649424 0.4488448), wk = 0.0017483 k( 529) = ( -0.1228070 0.0699379 0.4488448), wk = 0.0017483 k( 530) = ( -0.1315790 0.0749335 0.4488448), wk = 0.0017483 k( 531) = ( -0.1403509 0.0799291 0.4488448), wk = 0.0017483 k( 532) = ( -0.1491228 0.0849246 0.4488448), wk = 0.0017483 k( 533) = ( -0.1578947 0.0899202 0.4488448), wk = 0.0017483 k( 534) = ( -0.1666667 0.0949158 0.4488448), wk = 0.0017483 k( 535) = ( -0.1754386 0.0999113 0.4488448), wk = 0.0017483 k( 536) = ( -0.1842105 0.1049069 0.4488448), wk = 0.0017483 k( 537) = ( -0.1929825 0.1099025 0.4488448), wk = 0.0017483 k( 538) = ( -0.2017544 0.1148980 0.4488448), wk = 0.0017483 k( 539) = ( -0.2105263 0.1198936 0.4488448), wk = 0.0017483 k( 540) = ( -0.2192983 0.1248892 0.4488448), wk = 0.0017483 k( 541) = ( -0.2280702 0.1298847 0.4488448), wk = 0.0017483 k( 542) = ( -0.2368421 0.1348803 0.4488448), wk = 0.0017483 k( 543) = ( -0.2456140 0.1398759 0.4488448), wk = 0.0017483 k( 544) = ( -0.2543860 0.1448714 0.4488448), wk = 0.0017483 k( 545) = ( -0.2631579 0.1498670 0.4488448), wk = 0.0017483 k( 546) = ( -0.2719298 0.1548626 0.4488448), wk = 0.0017483 k( 547) = ( -0.2807018 0.1598581 0.4488448), wk = 0.0017483 k( 548) = ( -0.2894737 0.1648537 0.4488448), wk = 0.0017483 k( 549) = ( -0.2982456 0.1698493 0.4488448), wk = 0.0017483 k( 550) = ( -0.3070175 0.1748448 0.4488448), wk = 0.0017483 k( 551) = ( -0.3157895 0.1798404 0.4488448), wk = 0.0017483 k( 552) = ( -0.3245614 0.1848360 0.4488448), wk = 0.0017483 k( 553) = ( -0.3333333 0.1898315 0.4488448), wk = 0.0017483 k( 554) = ( -0.3421053 0.1948271 0.4488448), wk = 0.0017483 k( 555) = ( -0.3508772 0.1998227 0.4488448), wk = 0.0017483 k( 556) = ( -0.3596491 0.2048182 0.4488448), wk = 0.0017483 k( 557) = ( -0.3684211 0.2098138 0.4488448), wk = 0.0017483 k( 558) = ( -0.3771930 0.2148094 0.4488448), wk = 0.0017483 k( 559) = ( -0.3859649 0.2198049 0.4488448), wk = 0.0017483 k( 560) = ( -0.3947368 0.2248005 0.4488448), wk = 0.0017483 k( 561) = ( -0.4035088 0.2297961 0.4488448), wk = 0.0017483 k( 562) = ( -0.4122807 0.2347916 0.4488448), wk = 0.0017483 k( 563) = ( -0.4210526 0.2397872 0.4488448), wk = 0.0017483 k( 564) = ( -0.4298246 0.2447828 0.4488448), wk = 0.0017483 k( 565) = ( -0.4385965 0.2497783 0.4488448), wk = 0.0017483 k( 566) = ( -0.4473684 0.2547739 0.4488448), wk = 0.0017483 k( 567) = ( -0.4561404 0.2597695 0.4488448), wk = 0.0017483 k( 568) = ( -0.4649123 0.2647650 0.4488448), wk = 0.0017483 k( 569) = ( -0.4736842 0.2697606 0.4488448), wk = 0.0017483 k( 570) = ( -0.4824561 0.2747562 0.4488448), wk = 0.0017483 k( 571) = ( -0.4912281 0.2797517 0.4488448), wk = 0.0017483 k( 572) = ( -0.5000000 0.2847473 0.4488448), wk = 0.0017483 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017483 k( 2) = ( 0.0050164 0.0050164 -0.0000000), wk = 0.0017483 k( 3) = ( 0.0100328 0.0100328 -0.0000000), wk = 0.0017483 k( 4) = ( 0.0150491 0.0150491 0.0000000), wk = 0.0017483 k( 5) = ( 0.0200655 0.0200655 -0.0000000), wk = 0.0017483 k( 6) = ( 0.0250819 0.0250819 -0.0000000), wk = 0.0017483 k( 7) = ( 0.0300983 0.0300983 -0.0000000), wk = 0.0017483 k( 8) = ( 0.0351146 0.0351146 0.0000000), wk = 0.0017483 k( 9) = ( 0.0401310 0.0401310 -0.0000000), wk = 0.0017483 k( 10) = ( 0.0451474 0.0451474 -0.0000000), wk = 0.0017483 k( 11) = ( 0.0501638 0.0501638 -0.0000000), wk = 0.0017483 k( 12) = ( 0.0551802 0.0551802 -0.0000000), wk = 0.0017483 k( 13) = ( 0.0601966 0.0601966 -0.0000000), wk = 0.0017483 k( 14) = ( 0.0652129 0.0652129 -0.0000000), wk = 0.0017483 k( 15) = ( 0.0702293 0.0702293 0.0000000), wk = 0.0017483 k( 16) = ( 0.0752457 0.0752457 0.0000000), wk = 0.0017483 k( 17) = ( 0.0802621 0.0802621 0.0000000), wk = 0.0017483 k( 18) = ( 0.0852784 0.0852784 0.0000000), wk = 0.0017483 k( 19) = ( 0.0902948 0.0902948 -0.0000000), wk = 0.0017483 k( 20) = ( 0.0953112 0.0953112 0.0000000), wk = 0.0017483 k( 21) = ( 0.1003276 0.1003276 -0.0000000), wk = 0.0017483 k( 22) = ( 0.1053440 0.1053440 -0.0000000), wk = 0.0017483 k( 23) = ( 0.1103603 0.1103603 -0.0000000), wk = 0.0017483 k( 24) = ( 0.1153767 0.1153767 -0.0000000), wk = 0.0017483 k( 25) = ( 0.1203931 0.1203931 -0.0000000), wk = 0.0017483 k( 26) = ( 0.1254095 0.1254095 0.0000000), wk = 0.0017483 k( 27) = ( 0.1304259 0.1304259 -0.0000000), wk = 0.0017483 k( 28) = ( 0.1354422 0.1354422 -0.0000000), wk = 0.0017483 k( 29) = ( 0.1404586 0.1404586 -0.0000000), wk = 0.0017483 k( 30) = ( 0.1454750 0.1454750 0.0000000), wk = 0.0017483 k( 31) = ( 0.1504914 0.1504914 -0.0000000), wk = 0.0017483 k( 32) = ( 0.1555078 0.1555078 0.0000000), wk = 0.0017483 k( 33) = ( 0.1605241 0.1605241 0.0000000), wk = 0.0017483 k( 34) = ( 0.1655405 0.1655405 -0.0000000), wk = 0.0017483 k( 35) = ( 0.1705569 0.1705569 0.0000000), wk = 0.0017483 k( 36) = ( 0.1755733 0.1755733 -0.0000000), wk = 0.0017483 k( 37) = ( 0.1805896 0.1805896 -0.0000000), wk = 0.0017483 k( 38) = ( 0.1856060 0.1856060 -0.0000000), wk = 0.0017483 k( 39) = ( 0.1906224 0.1906224 -0.0000000), wk = 0.0017483 k( 40) = ( 0.1956388 0.1956388 0.0000000), wk = 0.0017483 k( 41) = ( 0.2006552 0.2006552 -0.0000000), wk = 0.0017483 k( 42) = ( 0.2056715 0.2056715 -0.0000000), wk = 0.0017483 k( 43) = ( 0.2106879 0.2106879 -0.0000000), wk = 0.0017483 k( 44) = ( 0.2157043 0.2157043 0.0000000), wk = 0.0017483 k( 45) = ( 0.2207207 0.2207207 -0.0000000), wk = 0.0017483 k( 46) = ( 0.2257371 0.2257371 -0.0000000), wk = 0.0017483 k( 47) = ( 0.2307534 0.2307534 -0.0000000), wk = 0.0017483 k( 48) = ( 0.2357698 0.2357698 -0.0000000), wk = 0.0017483 k( 49) = ( 0.2407862 0.2407862 -0.0000000), wk = 0.0017483 k( 50) = ( 0.2458026 0.2458026 0.0000000), wk = 0.0017483 k( 51) = ( 0.2508189 0.2508189 0.0000000), wk = 0.0017483 k( 52) = ( 0.2558353 0.2558353 0.0000000), wk = 0.0017483 k( 53) = ( 0.2608517 0.2608517 0.0000000), wk = 0.0017483 k( 54) = ( 0.2658681 0.2658681 0.0000000), wk = 0.0017483 k( 55) = ( 0.2708845 0.2708845 -0.0000000), wk = 0.0017483 k( 56) = ( 0.2759008 0.2759008 -0.0000000), wk = 0.0017483 k( 57) = ( 0.2809172 0.2809172 0.0000000), wk = 0.0017483 k( 58) = ( 0.2859336 0.2859336 0.0000000), wk = 0.0017483 k( 59) = ( 0.2909500 0.2909500 -0.0000000), wk = 0.0017483 k( 60) = ( 0.2959664 0.2959664 -0.0000000), wk = 0.0017483 k( 61) = ( 0.3009828 0.3009828 0.0000000), wk = 0.0017483 k( 62) = ( 0.3059991 0.3059991 -0.0000000), wk = 0.0017483 k( 63) = ( 0.3110155 0.3110155 0.0000000), wk = 0.0017483 k( 64) = ( 0.3160319 0.3160319 0.0000000), wk = 0.0017483 k( 65) = ( 0.3210483 0.3210483 0.0000000), wk = 0.0017483 k( 66) = ( 0.3260646 0.3260646 0.0000000), wk = 0.0017483 k( 67) = ( 0.3310810 0.3310810 -0.0000000), wk = 0.0017483 k( 68) = ( 0.3310810 0.3310810 -0.0000000), wk = 0.0017483 k( 69) = ( 0.3210483 0.3361998 0.0000000), wk = 0.0017483 k( 70) = ( 0.3110155 0.3413185 0.0000000), wk = 0.0017483 k( 71) = ( 0.3009828 0.3464373 0.0000000), wk = 0.0017483 k( 72) = ( 0.2909500 0.3515561 0.0000000), wk = 0.0017483 k( 73) = ( 0.2809172 0.3566748 0.0000000), wk = 0.0017483 k( 74) = ( 0.2708845 0.3617936 0.0000000), wk = 0.0017483 k( 75) = ( 0.2608517 0.3669123 0.0000000), wk = 0.0017483 k( 76) = ( 0.2508189 0.3720311 -0.0000000), wk = 0.0017483 k( 77) = ( 0.2407862 0.3771498 -0.0000000), wk = 0.0017483 k( 78) = ( 0.2307534 0.3822686 0.0000000), wk = 0.0017483 k( 79) = ( 0.2207207 0.3873874 0.0000000), wk = 0.0017483 k( 80) = ( 0.2106879 0.3925061 0.0000000), wk = 0.0017483 k( 81) = ( 0.2006552 0.3976249 0.0000000), wk = 0.0017483 k( 82) = ( 0.1906224 0.4027436 0.0000000), wk = 0.0017483 k( 83) = ( 0.1805896 0.4078624 -0.0000000), wk = 0.0017483 k( 84) = ( 0.1705569 0.4129811 -0.0000000), wk = 0.0017483 k( 85) = ( 0.1605241 0.4180999 -0.0000000), wk = 0.0017483 k( 86) = ( 0.1504914 0.4232186 0.0000000), wk = 0.0017483 k( 87) = ( 0.1404586 0.4283374 -0.0000000), wk = 0.0017483 k( 88) = ( 0.1304259 0.4334562 0.0000000), wk = 0.0017483 k( 89) = ( 0.1203931 0.4385749 0.0000000), wk = 0.0017483 k( 90) = ( 0.1103603 0.4436937 0.0000000), wk = 0.0017483 k( 91) = ( 0.1003276 0.4488124 -0.0000000), wk = 0.0017483 k( 92) = ( 0.0902948 0.4539312 -0.0000000), wk = 0.0017483 k( 93) = ( 0.0802621 0.4590499 0.0000000), wk = 0.0017483 k( 94) = ( 0.0702293 0.4641687 0.0000000), wk = 0.0017483 k( 95) = ( 0.0601966 0.4692875 0.0000000), wk = 0.0017483 k( 96) = ( 0.0501638 0.4744062 -0.0000000), wk = 0.0017483 k( 97) = ( 0.0401310 0.4795250 -0.0000000), wk = 0.0017483 k( 98) = ( 0.0300983 0.4846437 -0.0000000), wk = 0.0017483 k( 99) = ( 0.0200655 0.4897625 0.0000000), wk = 0.0017483 k( 100) = ( 0.0100328 0.4948812 -0.0000000), wk = 0.0017483 k( 101) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0017483 k( 102) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0017483 k( 103) = ( 0.0000000 0.5000000 0.0111111), wk = 0.0017483 k( 104) = ( 0.0000000 0.5000000 0.0222222), wk = 0.0017483 k( 105) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0017483 k( 106) = ( 0.0000000 0.5000000 0.0444444), wk = 0.0017483 k( 107) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0017483 k( 108) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0017483 k( 109) = ( 0.0000000 0.5000000 0.0777778), wk = 0.0017483 k( 110) = ( 0.0000000 0.5000000 0.0888889), wk = 0.0017483 k( 111) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0017483 k( 112) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0017483 k( 113) = ( 0.0000000 0.5000000 0.1222222), wk = 0.0017483 k( 114) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0017483 k( 115) = ( 0.0000000 0.5000000 0.1444444), wk = 0.0017483 k( 116) = ( 0.0000000 0.5000000 0.1555556), wk = 0.0017483 k( 117) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0017483 k( 118) = ( 0.0000000 0.5000000 0.1777778), wk = 0.0017483 k( 119) = ( 0.0000000 0.5000000 0.1888889), wk = 0.0017483 k( 120) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0017483 k( 121) = ( 0.0000000 0.5000000 0.2111111), wk = 0.0017483 k( 122) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0017483 k( 123) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0017483 k( 124) = ( 0.0000000 0.5000000 0.2444444), wk = 0.0017483 k( 125) = ( 0.0000000 0.5000000 0.2555556), wk = 0.0017483 k( 126) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0017483 k( 127) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0017483 k( 128) = ( 0.0000000 0.5000000 0.2888889), wk = 0.0017483 k( 129) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0017483 k( 130) = ( 0.0000000 0.5000000 0.3111111), wk = 0.0017483 k( 131) = ( 0.0000000 0.5000000 0.3222222), wk = 0.0017483 k( 132) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0017483 k( 133) = ( 0.0000000 0.5000000 0.3444444), wk = 0.0017483 k( 134) = ( 0.0000000 0.5000000 0.3555556), wk = 0.0017483 k( 135) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0017483 k( 136) = ( 0.0000000 0.5000000 0.3777778), wk = 0.0017483 k( 137) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0017483 k( 138) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0017483 k( 139) = ( 0.0000000 0.5000000 0.4111111), wk = 0.0017483 k( 140) = ( 0.0000000 0.5000000 0.4222222), wk = 0.0017483 k( 141) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0017483 k( 142) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0017483 k( 143) = ( 0.0000000 0.5000000 0.4555556), wk = 0.0017483 k( 144) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0017483 k( 145) = ( 0.0000000 0.5000000 0.4777778), wk = 0.0017483 k( 146) = ( 0.0000000 0.5000000 0.4888889), wk = 0.0017483 k( 147) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0017483 k( 148) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0017483 k( 149) = ( 0.0100328 0.4948812 0.5000000), wk = 0.0017483 k( 150) = ( 0.0200655 0.4897625 0.5000000), wk = 0.0017483 k( 151) = ( 0.0300983 0.4846437 0.5000000), wk = 0.0017483 k( 152) = ( 0.0401310 0.4795250 0.5000000), wk = 0.0017483 k( 153) = ( 0.0501638 0.4744062 0.5000000), wk = 0.0017483 k( 154) = ( 0.0601966 0.4692875 0.5000000), wk = 0.0017483 k( 155) = ( 0.0702293 0.4641687 0.5000000), wk = 0.0017483 k( 156) = ( 0.0802621 0.4590499 0.5000000), wk = 0.0017483 k( 157) = ( 0.0902948 0.4539312 0.5000000), wk = 0.0017483 k( 158) = ( 0.1003276 0.4488124 0.5000000), wk = 0.0017483 k( 159) = ( 0.1103603 0.4436937 0.5000000), wk = 0.0017483 k( 160) = ( 0.1203931 0.4385749 0.5000000), wk = 0.0017483 k( 161) = ( 0.1304259 0.4334562 0.5000000), wk = 0.0017483 k( 162) = ( 0.1404586 0.4283374 0.5000000), wk = 0.0017483 k( 163) = ( 0.1504914 0.4232186 0.5000000), wk = 0.0017483 k( 164) = ( 0.1605241 0.4180999 0.5000000), wk = 0.0017483 k( 165) = ( 0.1705569 0.4129811 0.5000000), wk = 0.0017483 k( 166) = ( 0.1805896 0.4078624 0.5000000), wk = 0.0017483 k( 167) = ( 0.1906224 0.4027436 0.5000000), wk = 0.0017483 k( 168) = ( 0.2006552 0.3976249 0.5000000), wk = 0.0017483 k( 169) = ( 0.2106879 0.3925061 0.5000000), wk = 0.0017483 k( 170) = ( 0.2207207 0.3873874 0.5000000), wk = 0.0017483 k( 171) = ( 0.2307534 0.3822686 0.5000000), wk = 0.0017483 k( 172) = ( 0.2407862 0.3771498 0.5000000), wk = 0.0017483 k( 173) = ( 0.2508189 0.3720311 0.5000000), wk = 0.0017483 k( 174) = ( 0.2608517 0.3669123 0.5000000), wk = 0.0017483 k( 175) = ( 0.2708845 0.3617936 0.5000000), wk = 0.0017483 k( 176) = ( 0.2809172 0.3566748 0.5000000), wk = 0.0017483 k( 177) = ( 0.2909500 0.3515561 0.5000000), wk = 0.0017483 k( 178) = ( 0.3009828 0.3464373 0.5000000), wk = 0.0017483 k( 179) = ( 0.3110155 0.3413185 0.5000000), wk = 0.0017483 k( 180) = ( 0.3210483 0.3361998 0.5000000), wk = 0.0017483 k( 181) = ( 0.3310810 0.3310810 0.5000000), wk = 0.0017483 k( 182) = ( 0.3310810 0.3310810 0.5000000), wk = 0.0017483 k( 183) = ( 0.3260646 0.3260646 0.5000000), wk = 0.0017483 k( 184) = ( 0.3210483 0.3210483 0.5000000), wk = 0.0017483 k( 185) = ( 0.3160319 0.3160319 0.5000000), wk = 0.0017483 k( 186) = ( 0.3110155 0.3110155 0.5000000), wk = 0.0017483 k( 187) = ( 0.3059991 0.3059991 0.5000000), wk = 0.0017483 k( 188) = ( 0.3009828 0.3009828 0.5000000), wk = 0.0017483 k( 189) = ( 0.2959664 0.2959664 0.5000000), wk = 0.0017483 k( 190) = ( 0.2909500 0.2909500 0.5000000), wk = 0.0017483 k( 191) = ( 0.2859336 0.2859336 0.5000000), wk = 0.0017483 k( 192) = ( 0.2809172 0.2809172 0.5000000), wk = 0.0017483 k( 193) = ( 0.2759008 0.2759008 0.5000000), wk = 0.0017483 k( 194) = ( 0.2708845 0.2708845 0.5000000), wk = 0.0017483 k( 195) = ( 0.2658681 0.2658681 0.5000000), wk = 0.0017483 k( 196) = ( 0.2608517 0.2608517 0.5000000), wk = 0.0017483 k( 197) = ( 0.2558353 0.2558353 0.5000000), wk = 0.0017483 k( 198) = ( 0.2508189 0.2508189 0.5000000), wk = 0.0017483 k( 199) = ( 0.2458026 0.2458026 0.5000000), wk = 0.0017483 k( 200) = ( 0.2407862 0.2407862 0.5000000), wk = 0.0017483 k( 201) = ( 0.2357698 0.2357698 0.5000000), wk = 0.0017483 k( 202) = ( 0.2307534 0.2307534 0.5000000), wk = 0.0017483 k( 203) = ( 0.2257371 0.2257371 0.5000000), wk = 0.0017483 k( 204) = ( 0.2207207 0.2207207 0.5000000), wk = 0.0017483 k( 205) = ( 0.2157043 0.2157043 0.5000000), wk = 0.0017483 k( 206) = ( 0.2106879 0.2106879 0.5000000), wk = 0.0017483 k( 207) = ( 0.2056715 0.2056715 0.5000000), wk = 0.0017483 k( 208) = ( 0.2006552 0.2006552 0.5000000), wk = 0.0017483 k( 209) = ( 0.1956388 0.1956388 0.5000000), wk = 0.0017483 k( 210) = ( 0.1906224 0.1906224 0.5000000), wk = 0.0017483 k( 211) = ( 0.1856060 0.1856060 0.5000000), wk = 0.0017483 k( 212) = ( 0.1805896 0.1805896 0.5000000), wk = 0.0017483 k( 213) = ( 0.1755733 0.1755733 0.5000000), wk = 0.0017483 k( 214) = ( 0.1705569 0.1705569 0.5000000), wk = 0.0017483 k( 215) = ( 0.1655405 0.1655405 0.5000000), wk = 0.0017483 k( 216) = ( 0.1605241 0.1605241 0.5000000), wk = 0.0017483 k( 217) = ( 0.1555078 0.1555078 0.5000000), wk = 0.0017483 k( 218) = ( 0.1504914 0.1504914 0.5000000), wk = 0.0017483 k( 219) = ( 0.1454750 0.1454750 0.5000000), wk = 0.0017483 k( 220) = ( 0.1404586 0.1404586 0.5000000), wk = 0.0017483 k( 221) = ( 0.1354422 0.1354422 0.5000000), wk = 0.0017483 k( 222) = ( 0.1304259 0.1304259 0.5000000), wk = 0.0017483 k( 223) = ( 0.1254095 0.1254095 0.5000000), wk = 0.0017483 k( 224) = ( 0.1203931 0.1203931 0.5000000), wk = 0.0017483 k( 225) = ( 0.1153767 0.1153767 0.5000000), wk = 0.0017483 k( 226) = ( 0.1103603 0.1103603 0.5000000), wk = 0.0017483 k( 227) = ( 0.1053440 0.1053440 0.5000000), wk = 0.0017483 k( 228) = ( 0.1003276 0.1003276 0.5000000), wk = 0.0017483 k( 229) = ( 0.0953112 0.0953112 0.5000000), wk = 0.0017483 k( 230) = ( 0.0902948 0.0902948 0.5000000), wk = 0.0017483 k( 231) = ( 0.0852784 0.0852784 0.5000000), wk = 0.0017483 k( 232) = ( 0.0802621 0.0802621 0.5000000), wk = 0.0017483 k( 233) = ( 0.0752457 0.0752457 0.5000000), wk = 0.0017483 k( 234) = ( 0.0702293 0.0702293 0.5000000), wk = 0.0017483 k( 235) = ( 0.0652129 0.0652129 0.5000000), wk = 0.0017483 k( 236) = ( 0.0601966 0.0601966 0.5000000), wk = 0.0017483 k( 237) = ( 0.0551802 0.0551802 0.5000000), wk = 0.0017483 k( 238) = ( 0.0501638 0.0501638 0.5000000), wk = 0.0017483 k( 239) = ( 0.0451474 0.0451474 0.5000000), wk = 0.0017483 k( 240) = ( 0.0401310 0.0401310 0.5000000), wk = 0.0017483 k( 241) = ( 0.0351146 0.0351146 0.5000000), wk = 0.0017483 k( 242) = ( 0.0300983 0.0300983 0.5000000), wk = 0.0017483 k( 243) = ( 0.0250819 0.0250819 0.5000000), wk = 0.0017483 k( 244) = ( 0.0200655 0.0200655 0.5000000), wk = 0.0017483 k( 245) = ( 0.0150491 0.0150491 0.5000000), wk = 0.0017483 k( 246) = ( 0.0100328 0.0100328 0.5000000), wk = 0.0017483 k( 247) = ( 0.0050164 0.0050164 0.5000000), wk = 0.0017483 k( 248) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017483 k( 249) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017483 k( 250) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0017483 k( 251) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0017483 k( 252) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0017483 k( 253) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0017483 k( 254) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0017483 k( 255) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0017483 k( 256) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0017483 k( 257) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0017483 k( 258) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0017483 k( 259) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0017483 k( 260) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0017483 k( 261) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0017483 k( 262) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0017483 k( 263) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0017483 k( 264) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0017483 k( 265) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0017483 k( 266) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0017483 k( 267) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0017483 k( 268) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0017483 k( 269) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0017483 k( 270) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0017483 k( 271) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0017483 k( 272) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0017483 k( 273) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0017483 k( 274) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0017483 k( 275) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0017483 k( 276) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0017483 k( 277) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0017483 k( 278) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0017483 k( 279) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0017483 k( 280) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0017483 k( 281) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0017483 k( 282) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0017483 k( 283) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0017483 k( 284) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0017483 k( 285) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0017483 k( 286) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0017483 k( 287) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0017483 k( 288) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0017483 k( 289) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0017483 k( 290) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0017483 k( 291) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0017483 k( 292) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0017483 k( 293) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0017483 k( 294) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017483 k( 295) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017483 k( 296) = ( -0.0087719 0.0087719 0.0000000), wk = 0.0017483 k( 297) = ( -0.0175439 0.0175439 0.0000000), wk = 0.0017483 k( 298) = ( -0.0263158 0.0263158 0.0000000), wk = 0.0017483 k( 299) = ( -0.0350877 0.0350877 0.0000000), wk = 0.0017483 k( 300) = ( -0.0438597 0.0438597 0.0000000), wk = 0.0017483 k( 301) = ( -0.0526316 0.0526316 0.0000000), wk = 0.0017483 k( 302) = ( -0.0614035 0.0614035 -0.0000000), wk = 0.0017483 k( 303) = ( -0.0701754 0.0701754 0.0000000), wk = 0.0017483 k( 304) = ( -0.0789474 0.0789474 0.0000000), wk = 0.0017483 k( 305) = ( -0.0877193 0.0877193 0.0000000), wk = 0.0017483 k( 306) = ( -0.0964912 0.0964912 0.0000000), wk = 0.0017483 k( 307) = ( -0.1052632 0.1052632 0.0000000), wk = 0.0017483 k( 308) = ( -0.1140351 0.1140351 0.0000000), wk = 0.0017483 k( 309) = ( -0.1228070 0.1228070 -0.0000000), wk = 0.0017483 k( 310) = ( -0.1315790 0.1315790 0.0000000), wk = 0.0017483 k( 311) = ( -0.1403509 0.1403509 0.0000000), wk = 0.0017483 k( 312) = ( -0.1491228 0.1491228 0.0000000), wk = 0.0017483 k( 313) = ( -0.1578947 0.1578947 0.0000000), wk = 0.0017483 k( 314) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0017483 k( 315) = ( -0.1754386 0.1754386 0.0000000), wk = 0.0017483 k( 316) = ( -0.1842105 0.1842105 0.0000000), wk = 0.0017483 k( 317) = ( -0.1929825 0.1929825 0.0000000), wk = 0.0017483 k( 318) = ( -0.2017544 0.2017544 0.0000000), wk = 0.0017483 k( 319) = ( -0.2105263 0.2105263 0.0000000), wk = 0.0017483 k( 320) = ( -0.2192983 0.2192983 0.0000000), wk = 0.0017483 k( 321) = ( -0.2280702 0.2280702 0.0000000), wk = 0.0017483 k( 322) = ( -0.2368421 0.2368421 0.0000000), wk = 0.0017483 k( 323) = ( -0.2456140 0.2456140 -0.0000000), wk = 0.0017483 k( 324) = ( -0.2543860 0.2543860 0.0000000), wk = 0.0017483 k( 325) = ( -0.2631579 0.2631579 0.0000000), wk = 0.0017483 k( 326) = ( -0.2719298 0.2719298 0.0000000), wk = 0.0017483 k( 327) = ( -0.2807018 0.2807018 -0.0000000), wk = 0.0017483 k( 328) = ( -0.2894737 0.2894737 0.0000000), wk = 0.0017483 k( 329) = ( -0.2982456 0.2982456 0.0000000), wk = 0.0017483 k( 330) = ( -0.3070175 0.3070175 0.0000000), wk = 0.0017483 k( 331) = ( -0.3157895 0.3157895 0.0000000), wk = 0.0017483 k( 332) = ( -0.3245614 0.3245614 0.0000000), wk = 0.0017483 k( 333) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0017483 k( 334) = ( -0.3421053 0.3421053 0.0000000), wk = 0.0017483 k( 335) = ( -0.3508772 0.3508772 0.0000000), wk = 0.0017483 k( 336) = ( -0.3596491 0.3596491 0.0000000), wk = 0.0017483 k( 337) = ( -0.3684211 0.3684211 0.0000000), wk = 0.0017483 k( 338) = ( -0.3771930 0.3771930 0.0000000), wk = 0.0017483 k( 339) = ( -0.3859649 0.3859649 0.0000000), wk = 0.0017483 k( 340) = ( -0.3947368 0.3947368 0.0000000), wk = 0.0017483 k( 341) = ( -0.4035088 0.4035088 0.0000000), wk = 0.0017483 k( 342) = ( -0.4122807 0.4122807 0.0000000), wk = 0.0017483 k( 343) = ( -0.4210526 0.4210526 0.0000000), wk = 0.0017483 k( 344) = ( -0.4298246 0.4298246 0.0000000), wk = 0.0017483 k( 345) = ( -0.4385965 0.4385965 0.0000000), wk = 0.0017483 k( 346) = ( -0.4473684 0.4473684 0.0000000), wk = 0.0017483 k( 347) = ( -0.4561404 0.4561404 0.0000000), wk = 0.0017483 k( 348) = ( -0.4649123 0.4649123 0.0000000), wk = 0.0017483 k( 349) = ( -0.4736842 0.4736842 0.0000000), wk = 0.0017483 k( 350) = ( -0.4824561 0.4824561 0.0000000), wk = 0.0017483 k( 351) = ( -0.4912281 0.4912281 0.0000000), wk = 0.0017483 k( 352) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0017483 k( 353) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0017483 k( 354) = ( -0.4950318 0.5049682 0.0000000), wk = 0.0017483 k( 355) = ( -0.4900636 0.5099364 -0.0000000), wk = 0.0017483 k( 356) = ( -0.4850954 0.5149046 0.0000000), wk = 0.0017483 k( 357) = ( -0.4801272 0.5198728 0.0000000), wk = 0.0017483 k( 358) = ( -0.4751590 0.5248410 0.0000000), wk = 0.0017483 k( 359) = ( -0.4701908 0.5298092 0.0000000), wk = 0.0017483 k( 360) = ( -0.4652226 0.5347774 0.0000000), wk = 0.0017483 k( 361) = ( -0.4602544 0.5397456 0.0000000), wk = 0.0017483 k( 362) = ( -0.4552862 0.5447139 0.0000000), wk = 0.0017483 k( 363) = ( -0.4503180 0.5496821 0.0000000), wk = 0.0017483 k( 364) = ( -0.4453497 0.5546503 0.0000000), wk = 0.0017483 k( 365) = ( -0.4403815 0.5596185 -0.0000000), wk = 0.0017483 k( 366) = ( -0.4354133 0.5645867 -0.0000000), wk = 0.0017483 k( 367) = ( -0.4304451 0.5695549 0.0000000), wk = 0.0017483 k( 368) = ( -0.4254769 0.5745231 0.0000000), wk = 0.0017483 k( 369) = ( -0.4205087 0.5794913 0.0000000), wk = 0.0017483 k( 370) = ( -0.4155405 0.5844595 0.0000000), wk = 0.0017483 k( 371) = ( -0.4105723 0.5894277 0.0000000), wk = 0.0017483 k( 372) = ( -0.4056041 0.5943959 0.0000000), wk = 0.0017483 k( 373) = ( -0.4006359 0.5993641 0.0000000), wk = 0.0017483 k( 374) = ( -0.3956677 0.6043323 0.0000000), wk = 0.0017483 k( 375) = ( -0.3906995 0.6093005 0.0000000), wk = 0.0017483 k( 376) = ( -0.3857313 0.6142687 0.0000000), wk = 0.0017483 k( 377) = ( -0.3807631 0.6192369 0.0000000), wk = 0.0017483 k( 378) = ( -0.3757949 0.6242051 0.0000000), wk = 0.0017483 k( 379) = ( -0.3708267 0.6291733 0.0000000), wk = 0.0017483 k( 380) = ( -0.3658585 0.6341415 -0.0000000), wk = 0.0017483 k( 381) = ( -0.3608903 0.6391098 0.0000000), wk = 0.0017483 k( 382) = ( -0.3559220 0.6440780 0.0000000), wk = 0.0017483 k( 383) = ( -0.3509538 0.6490462 0.0000000), wk = 0.0017483 k( 384) = ( -0.3459856 0.6540144 -0.0000000), wk = 0.0017483 k( 385) = ( -0.3410174 0.6589826 0.0000000), wk = 0.0017483 k( 386) = ( -0.3360492 0.6639508 0.0000000), wk = 0.0017483 k( 387) = ( -0.3310810 0.6689190 0.0000000), wk = 0.0017483 k( 388) = ( -0.3310810 0.6689190 0.0000000), wk = 0.0017483 k( 389) = ( -0.3310810 0.6689190 0.0111111), wk = 0.0017483 k( 390) = ( -0.3310810 0.6689190 0.0222222), wk = 0.0017483 k( 391) = ( -0.3310810 0.6689190 0.0333333), wk = 0.0017483 k( 392) = ( -0.3310810 0.6689190 0.0444444), wk = 0.0017483 k( 393) = ( -0.3310810 0.6689190 0.0555556), wk = 0.0017483 k( 394) = ( -0.3310810 0.6689190 0.0666667), wk = 0.0017483 k( 395) = ( -0.3310810 0.6689190 0.0777778), wk = 0.0017483 k( 396) = ( -0.3310810 0.6689190 0.0888889), wk = 0.0017483 k( 397) = ( -0.3310810 0.6689190 0.1000000), wk = 0.0017483 k( 398) = ( -0.3310810 0.6689190 0.1111111), wk = 0.0017483 k( 399) = ( -0.3310810 0.6689190 0.1222222), wk = 0.0017483 k( 400) = ( -0.3310810 0.6689190 0.1333333), wk = 0.0017483 k( 401) = ( -0.3310810 0.6689190 0.1444444), wk = 0.0017483 k( 402) = ( -0.3310810 0.6689190 0.1555556), wk = 0.0017483 k( 403) = ( -0.3310810 0.6689190 0.1666667), wk = 0.0017483 k( 404) = ( -0.3310810 0.6689190 0.1777778), wk = 0.0017483 k( 405) = ( -0.3310810 0.6689190 0.1888889), wk = 0.0017483 k( 406) = ( -0.3310810 0.6689190 0.2000000), wk = 0.0017483 k( 407) = ( -0.3310810 0.6689190 0.2111111), wk = 0.0017483 k( 408) = ( -0.3310810 0.6689190 0.2222222), wk = 0.0017483 k( 409) = ( -0.3310810 0.6689190 0.2333333), wk = 0.0017483 k( 410) = ( -0.3310810 0.6689190 0.2444444), wk = 0.0017483 k( 411) = ( -0.3310810 0.6689190 0.2555556), wk = 0.0017483 k( 412) = ( -0.3310810 0.6689190 0.2666667), wk = 0.0017483 k( 413) = ( -0.3310810 0.6689190 0.2777778), wk = 0.0017483 k( 414) = ( -0.3310810 0.6689190 0.2888889), wk = 0.0017483 k( 415) = ( -0.3310810 0.6689190 0.3000000), wk = 0.0017483 k( 416) = ( -0.3310810 0.6689190 0.3111111), wk = 0.0017483 k( 417) = ( -0.3310810 0.6689190 0.3222222), wk = 0.0017483 k( 418) = ( -0.3310810 0.6689190 0.3333333), wk = 0.0017483 k( 419) = ( -0.3310810 0.6689190 0.3444444), wk = 0.0017483 k( 420) = ( -0.3310810 0.6689190 0.3555556), wk = 0.0017483 k( 421) = ( -0.3310810 0.6689190 0.3666667), wk = 0.0017483 k( 422) = ( -0.3310810 0.6689190 0.3777778), wk = 0.0017483 k( 423) = ( -0.3310810 0.6689190 0.3888889), wk = 0.0017483 k( 424) = ( -0.3310810 0.6689190 0.4000000), wk = 0.0017483 k( 425) = ( -0.3310810 0.6689190 0.4111111), wk = 0.0017483 k( 426) = ( -0.3310810 0.6689190 0.4222222), wk = 0.0017483 k( 427) = ( -0.3310810 0.6689190 0.4333333), wk = 0.0017483 k( 428) = ( -0.3310810 0.6689190 0.4444444), wk = 0.0017483 k( 429) = ( -0.3310810 0.6689190 0.4555556), wk = 0.0017483 k( 430) = ( -0.3310810 0.6689190 0.4666667), wk = 0.0017483 k( 431) = ( -0.3310810 0.6689190 0.4777778), wk = 0.0017483 k( 432) = ( -0.3310810 0.6689190 0.4888889), wk = 0.0017483 k( 433) = ( -0.3310810 0.6689190 0.5000000), wk = 0.0017483 k( 434) = ( -0.3310810 0.6689190 0.5000000), wk = 0.0017483 k( 435) = ( -0.3360492 0.6639508 0.5000000), wk = 0.0017483 k( 436) = ( -0.3410174 0.6589826 0.5000000), wk = 0.0017483 k( 437) = ( -0.3459856 0.6540144 0.5000000), wk = 0.0017483 k( 438) = ( -0.3509538 0.6490462 0.5000000), wk = 0.0017483 k( 439) = ( -0.3559220 0.6440780 0.5000000), wk = 0.0017483 k( 440) = ( -0.3608903 0.6391098 0.5000000), wk = 0.0017483 k( 441) = ( -0.3658585 0.6341415 0.5000000), wk = 0.0017483 k( 442) = ( -0.3708267 0.6291733 0.5000000), wk = 0.0017483 k( 443) = ( -0.3757949 0.6242051 0.5000000), wk = 0.0017483 k( 444) = ( -0.3807631 0.6192369 0.5000000), wk = 0.0017483 k( 445) = ( -0.3857313 0.6142687 0.5000000), wk = 0.0017483 k( 446) = ( -0.3906995 0.6093005 0.5000000), wk = 0.0017483 k( 447) = ( -0.3956677 0.6043323 0.5000000), wk = 0.0017483 k( 448) = ( -0.4006359 0.5993641 0.5000000), wk = 0.0017483 k( 449) = ( -0.4056041 0.5943959 0.5000000), wk = 0.0017483 k( 450) = ( -0.4105723 0.5894277 0.5000000), wk = 0.0017483 k( 451) = ( -0.4155405 0.5844595 0.5000000), wk = 0.0017483 k( 452) = ( -0.4205087 0.5794913 0.5000000), wk = 0.0017483 k( 453) = ( -0.4254769 0.5745231 0.5000000), wk = 0.0017483 k( 454) = ( -0.4304451 0.5695549 0.5000000), wk = 0.0017483 k( 455) = ( -0.4354133 0.5645867 0.5000000), wk = 0.0017483 k( 456) = ( -0.4403815 0.5596185 0.5000000), wk = 0.0017483 k( 457) = ( -0.4453497 0.5546503 0.5000000), wk = 0.0017483 k( 458) = ( -0.4503180 0.5496821 0.5000000), wk = 0.0017483 k( 459) = ( -0.4552862 0.5447139 0.5000000), wk = 0.0017483 k( 460) = ( -0.4602544 0.5397456 0.5000000), wk = 0.0017483 k( 461) = ( -0.4652226 0.5347774 0.5000000), wk = 0.0017483 k( 462) = ( -0.4701908 0.5298092 0.5000000), wk = 0.0017483 k( 463) = ( -0.4751590 0.5248410 0.5000000), wk = 0.0017483 k( 464) = ( -0.4801272 0.5198728 0.5000000), wk = 0.0017483 k( 465) = ( -0.4850954 0.5149046 0.5000000), wk = 0.0017483 k( 466) = ( -0.4900636 0.5099364 0.5000000), wk = 0.0017483 k( 467) = ( -0.4950318 0.5049682 0.5000000), wk = 0.0017483 k( 468) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0017483 k( 469) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0017483 k( 470) = ( -0.5000000 0.5000000 0.4888889), wk = 0.0017483 k( 471) = ( -0.5000000 0.5000000 0.4777778), wk = 0.0017483 k( 472) = ( -0.5000000 0.5000000 0.4666667), wk = 0.0017483 k( 473) = ( -0.5000000 0.5000000 0.4555556), wk = 0.0017483 k( 474) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0017483 k( 475) = ( -0.5000000 0.5000000 0.4333333), wk = 0.0017483 k( 476) = ( -0.5000000 0.5000000 0.4222222), wk = 0.0017483 k( 477) = ( -0.5000000 0.5000000 0.4111111), wk = 0.0017483 k( 478) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0017483 k( 479) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0017483 k( 480) = ( -0.5000000 0.5000000 0.3777778), wk = 0.0017483 k( 481) = ( -0.5000000 0.5000000 0.3666667), wk = 0.0017483 k( 482) = ( -0.5000000 0.5000000 0.3555556), wk = 0.0017483 k( 483) = ( -0.5000000 0.5000000 0.3444444), wk = 0.0017483 k( 484) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0017483 k( 485) = ( -0.5000000 0.5000000 0.3222222), wk = 0.0017483 k( 486) = ( -0.5000000 0.5000000 0.3111111), wk = 0.0017483 k( 487) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0017483 k( 488) = ( -0.5000000 0.5000000 0.2888889), wk = 0.0017483 k( 489) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0017483 k( 490) = ( -0.5000000 0.5000000 0.2666667), wk = 0.0017483 k( 491) = ( -0.5000000 0.5000000 0.2555556), wk = 0.0017483 k( 492) = ( -0.5000000 0.5000000 0.2444444), wk = 0.0017483 k( 493) = ( -0.5000000 0.5000000 0.2333333), wk = 0.0017483 k( 494) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0017483 k( 495) = ( -0.5000000 0.5000000 0.2111111), wk = 0.0017483 k( 496) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0017483 k( 497) = ( -0.5000000 0.5000000 0.1888889), wk = 0.0017483 k( 498) = ( -0.5000000 0.5000000 0.1777778), wk = 0.0017483 k( 499) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0017483 k( 500) = ( -0.5000000 0.5000000 0.1555556), wk = 0.0017483 k( 501) = ( -0.5000000 0.5000000 0.1444444), wk = 0.0017483 k( 502) = ( -0.5000000 0.5000000 0.1333333), wk = 0.0017483 k( 503) = ( -0.5000000 0.5000000 0.1222222), wk = 0.0017483 k( 504) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0017483 k( 505) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0017483 k( 506) = ( -0.5000000 0.5000000 0.0888889), wk = 0.0017483 k( 507) = ( -0.5000000 0.5000000 0.0777778), wk = 0.0017483 k( 508) = ( -0.5000000 0.5000000 0.0666667), wk = 0.0017483 k( 509) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0017483 k( 510) = ( -0.5000000 0.5000000 0.0444444), wk = 0.0017483 k( 511) = ( -0.5000000 0.5000000 0.0333333), wk = 0.0017483 k( 512) = ( -0.5000000 0.5000000 0.0222222), wk = 0.0017483 k( 513) = ( -0.5000000 0.5000000 0.0111111), wk = 0.0017483 k( 514) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0017483 k( 515) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017483 k( 516) = ( -0.0087719 0.0087719 0.5000000), wk = 0.0017483 k( 517) = ( -0.0175439 0.0175439 0.5000000), wk = 0.0017483 k( 518) = ( -0.0263158 0.0263158 0.5000000), wk = 0.0017483 k( 519) = ( -0.0350877 0.0350877 0.5000000), wk = 0.0017483 k( 520) = ( -0.0438597 0.0438597 0.5000000), wk = 0.0017483 k( 521) = ( -0.0526316 0.0526316 0.5000000), wk = 0.0017483 k( 522) = ( -0.0614035 0.0614035 0.5000000), wk = 0.0017483 k( 523) = ( -0.0701754 0.0701754 0.5000000), wk = 0.0017483 k( 524) = ( -0.0789474 0.0789474 0.5000000), wk = 0.0017483 k( 525) = ( -0.0877193 0.0877193 0.5000000), wk = 0.0017483 k( 526) = ( -0.0964912 0.0964912 0.5000000), wk = 0.0017483 k( 527) = ( -0.1052632 0.1052632 0.5000000), wk = 0.0017483 k( 528) = ( -0.1140351 0.1140351 0.5000000), wk = 0.0017483 k( 529) = ( -0.1228070 0.1228070 0.5000000), wk = 0.0017483 k( 530) = ( -0.1315790 0.1315790 0.5000000), wk = 0.0017483 k( 531) = ( -0.1403509 0.1403509 0.5000000), wk = 0.0017483 k( 532) = ( -0.1491228 0.1491228 0.5000000), wk = 0.0017483 k( 533) = ( -0.1578947 0.1578947 0.5000000), wk = 0.0017483 k( 534) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0017483 k( 535) = ( -0.1754386 0.1754386 0.5000000), wk = 0.0017483 k( 536) = ( -0.1842105 0.1842105 0.5000000), wk = 0.0017483 k( 537) = ( -0.1929825 0.1929825 0.5000000), wk = 0.0017483 k( 538) = ( -0.2017544 0.2017544 0.5000000), wk = 0.0017483 k( 539) = ( -0.2105263 0.2105263 0.5000000), wk = 0.0017483 k( 540) = ( -0.2192983 0.2192983 0.5000000), wk = 0.0017483 k( 541) = ( -0.2280702 0.2280702 0.5000000), wk = 0.0017483 k( 542) = ( -0.2368421 0.2368421 0.5000000), wk = 0.0017483 k( 543) = ( -0.2456140 0.2456140 0.5000000), wk = 0.0017483 k( 544) = ( -0.2543860 0.2543860 0.5000000), wk = 0.0017483 k( 545) = ( -0.2631579 0.2631579 0.5000000), wk = 0.0017483 k( 546) = ( -0.2719298 0.2719298 0.5000000), wk = 0.0017483 k( 547) = ( -0.2807018 0.2807018 0.5000000), wk = 0.0017483 k( 548) = ( -0.2894737 0.2894737 0.5000000), wk = 0.0017483 k( 549) = ( -0.2982456 0.2982456 0.5000000), wk = 0.0017483 k( 550) = ( -0.3070175 0.3070175 0.5000000), wk = 0.0017483 k( 551) = ( -0.3157895 0.3157895 0.5000000), wk = 0.0017483 k( 552) = ( -0.3245614 0.3245614 0.5000000), wk = 0.0017483 k( 553) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0017483 k( 554) = ( -0.3421053 0.3421053 0.5000000), wk = 0.0017483 k( 555) = ( -0.3508772 0.3508772 0.5000000), wk = 0.0017483 k( 556) = ( -0.3596491 0.3596491 0.5000000), wk = 0.0017483 k( 557) = ( -0.3684211 0.3684211 0.5000000), wk = 0.0017483 k( 558) = ( -0.3771930 0.3771930 0.5000000), wk = 0.0017483 k( 559) = ( -0.3859649 0.3859649 0.5000000), wk = 0.0017483 k( 560) = ( -0.3947368 0.3947368 0.5000000), wk = 0.0017483 k( 561) = ( -0.4035088 0.4035088 0.5000000), wk = 0.0017483 k( 562) = ( -0.4122807 0.4122807 0.5000000), wk = 0.0017483 k( 563) = ( -0.4210526 0.4210526 0.5000000), wk = 0.0017483 k( 564) = ( -0.4298246 0.4298246 0.5000000), wk = 0.0017483 k( 565) = ( -0.4385965 0.4385965 0.5000000), wk = 0.0017483 k( 566) = ( -0.4473684 0.4473684 0.5000000), wk = 0.0017483 k( 567) = ( -0.4561404 0.4561404 0.5000000), wk = 0.0017483 k( 568) = ( -0.4649123 0.4649123 0.5000000), wk = 0.0017483 k( 569) = ( -0.4736842 0.4736842 0.5000000), wk = 0.0017483 k( 570) = ( -0.4824561 0.4824561 0.5000000), wk = 0.0017483 k( 571) = ( -0.4912281 0.4912281 0.5000000), wk = 0.0017483 k( 572) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0017483 Dense grid: 26739 G-vectors FFT dimensions: ( 40, 40, 45) Smooth grid: 12819 G-vectors FFT dimensions: ( 30, 30, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 74, 32) NL pseudopotentials 0.02 Mb ( 37, 42) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 556) G-vector shells 0.00 Mb ( 288) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.14 Mb ( 74, 128) Each subspace H/S matrix 0.25 Mb ( 128, 128) Each matrix 0.04 Mb ( 42, 2, 32) Check: negative/imaginary core charge= -0.000018 0.000000 The potential is recalculated from file : ./MgF2.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.3 secs Computing kpt #: 2 total cpu time spent up to now is 39.6 secs Computing kpt #: 3 total cpu time spent up to now is 40.0 secs Computing kpt #: 4 total cpu time spent up to now is 40.3 secs Computing kpt #: 5 total cpu time spent up to now is 40.7 secs Computing kpt #: 6 total cpu time spent up to now is 41.0 secs Computing kpt #: 7 total cpu time spent up to now is 41.4 secs Computing kpt #: 8 total cpu time spent up to now is 41.7 secs Computing kpt #: 9 total cpu time spent up to now is 42.0 secs Computing kpt #: 10 total cpu time spent up to now is 42.4 secs Computing kpt #: 11 total cpu time spent up to now is 42.7 secs Computing kpt #: 12 total cpu time spent up to now is 43.0 secs Computing kpt #: 13 total cpu time spent up to now is 43.3 secs Computing kpt #: 14 total cpu time spent up to now is 43.6 secs Computing kpt #: 15 total cpu time spent up to now is 44.0 secs Computing kpt #: 16 total cpu time spent up to now is 44.3 secs Computing kpt #: 17 total cpu time spent up to now is 44.6 secs Computing kpt #: 18 total cpu time spent up to now is 44.9 secs Computing kpt #: 19 total cpu time spent up to now is 45.2 secs Computing kpt #: 20 total cpu time spent up to now is 45.5 secs Computing kpt #: 21 total cpu time spent up to now is 45.9 secs Computing kpt #: 22 total cpu time spent up to now is 46.2 secs Computing kpt #: 23 total cpu time spent up to now is 46.5 secs Computing kpt #: 24 total cpu time spent up to now is 46.8 secs Computing kpt #: 25 total cpu time spent up to now is 47.1 secs Computing kpt #: 26 total cpu time spent up to now is 47.4 secs Computing kpt #: 27 total cpu time spent up to now is 47.7 secs Computing kpt #: 28 total cpu time spent up to now is 48.0 secs Computing kpt #: 29 total cpu time spent up to now is 48.3 secs Computing kpt #: 30 total cpu time spent up to now is 48.7 secs Computing kpt #: 31 total cpu time spent up to now is 49.0 secs Computing kpt #: 32 total cpu time spent up to now is 49.3 secs Computing kpt #: 33 total cpu time spent up to now is 49.6 secs Computing kpt #: 34 total cpu time spent up to now is 49.9 secs Computing kpt #: 35 total cpu time spent up to now is 50.6 secs Computing kpt #: 36 total cpu time spent up to now is 51.4 secs Computing kpt #: 37 total cpu time spent up to now is 52.1 secs Computing kpt #: 38 total cpu time spent up to now is 53.2 secs Computing kpt #: 39 total cpu time spent up to now is 54.1 secs Computing kpt #: 40 total cpu time spent up to now is 54.6 secs Computing kpt #: 41 total cpu time spent up to now is 55.0 secs Computing kpt #: 42 total cpu time spent up to now is 55.5 secs Computing kpt #: 43 total cpu time spent up to now is 55.8 secs Computing kpt #: 44 total cpu time spent up to now is 56.2 secs Computing kpt #: 45 total cpu time spent up to now is 56.5 secs Computing kpt #: 46 total cpu time spent up to now is 56.9 secs Computing kpt #: 47 total cpu time spent up to now is 57.2 secs Computing kpt #: 48 total cpu time spent up to now is 58.1 secs Computing kpt #: 49 total cpu time spent up to now is 58.5 secs Computing kpt #: 50 total cpu time spent up to now is 58.8 secs Computing kpt #: 51 total cpu time spent up to now is 59.4 secs Computing kpt #: 52 total cpu time spent up to now is 59.9 secs Computing kpt #: 53 total cpu time spent up to now is 60.3 secs Computing kpt #: 54 total cpu time spent up to now is 60.6 secs Computing kpt #: 55 total cpu time spent up to now is 61.0 secs Computing kpt #: 56 total cpu time spent up to now is 61.4 secs Computing kpt #: 57 total cpu time spent up to now is 61.8 secs Computing kpt #: 58 total cpu time spent up to now is 62.2 secs Computing kpt #: 59 total cpu time spent up to now is 62.9 secs Computing kpt #: 60 total cpu time spent up to now is 63.2 secs Computing kpt #: 61 total cpu time spent up to now is 63.6 secs Computing kpt #: 62 total cpu time spent up to now is 63.9 secs Computing kpt #: 63 total cpu time spent up to now is 64.2 secs Computing kpt #: 64 total cpu time spent up to now is 64.8 secs Computing kpt #: 65 total cpu time spent up to now is 65.2 secs Computing kpt #: 66 total cpu time spent up to now is 66.0 secs Computing kpt #: 67 total cpu time spent up to now is 67.4 secs Computing kpt #: 68 total cpu time spent up to now is 68.4 secs Computing kpt #: 69 total cpu time spent up to now is 69.3 secs Computing kpt #: 70 total cpu time spent up to now is 70.2 secs Computing kpt #: 71 total cpu time spent up to now is 70.6 secs Computing kpt #: 72 total cpu time spent up to now is 71.2 secs Computing kpt #: 73 total cpu time spent up to now is 71.5 secs Computing kpt #: 74 total cpu time spent up to now is 71.8 secs Computing kpt #: 75 total cpu time spent up to now is 72.1 secs Computing kpt #: 76 total cpu time spent up to now is 72.4 secs Computing kpt #: 77 total cpu time spent up to now is 72.8 secs Computing kpt #: 78 total cpu time spent up to now is 73.1 secs Computing kpt #: 79 total cpu time spent up to now is 73.4 secs Computing kpt #: 80 total cpu time spent up to now is 73.7 secs Computing kpt #: 81 total cpu time spent up to now is 74.3 secs Computing kpt #: 82 total cpu time spent up to now is 74.7 secs Computing kpt #: 83 total cpu time spent up to now is 75.0 secs Computing kpt #: 84 total cpu time spent up to now is 76.3 secs Computing kpt #: 85 total cpu time spent up to now is 76.8 secs Computing kpt #: 86 total cpu time spent up to now is 78.1 secs Computing kpt #: 87 total cpu time spent up to now is 78.6 secs Computing kpt #: 88 total cpu time spent up to now is 79.1 secs Computing kpt #: 89 total cpu time spent up to now is 79.4 secs Computing kpt #: 90 total cpu time spent up to now is 79.8 secs Computing kpt #: 91 total cpu time spent up to now is 80.2 secs Computing kpt #: 92 total cpu time spent up to now is 80.5 secs Computing kpt #: 93 total cpu time spent up to now is 80.8 secs Computing kpt #: 94 total cpu time spent up to now is 81.3 secs Computing kpt #: 95 total cpu time spent up to now is 81.6 secs Computing kpt #: 96 total cpu time spent up to now is 82.1 secs Computing kpt #: 97 total cpu time spent up to now is 82.6 secs Computing kpt #: 98 total cpu time spent up to now is 83.2 secs Computing kpt #: 99 total cpu time spent up to now is 83.5 secs Computing kpt #: 100 total cpu time spent up to now is 84.0 secs Computing kpt #: 101 total cpu time spent up to now is 84.8 secs Computing kpt #: 102 total cpu time spent up to now is 85.5 secs Computing kpt #: 103 total cpu time spent up to now is 86.3 secs Computing kpt #: 104 total cpu time spent up to now is 87.1 secs Computing kpt #: 105 total cpu time spent up to now is 88.0 secs Computing kpt #: 106 total cpu time spent up to now is 89.0 secs Computing kpt #: 107 total cpu time spent up to now is 89.8 secs Computing kpt #: 108 total cpu time spent up to now is 90.7 secs Computing kpt #: 109 total cpu time spent up to now is 91.0 secs Computing kpt #: 110 total cpu time spent up to now is 91.4 secs Computing kpt #: 111 total cpu time spent up to now is 92.0 secs Computing kpt #: 112 total cpu time spent up to now is 92.3 secs Computing kpt #: 113 total cpu time spent up to now is 92.6 secs Computing kpt #: 114 total cpu time spent up to now is 93.3 secs Computing kpt #: 115 total cpu time spent up to now is 93.6 secs Computing kpt #: 116 total cpu time spent up to now is 94.0 secs Computing kpt #: 117 total cpu time spent up to now is 94.3 secs Computing kpt #: 118 total cpu time spent up to now is 95.1 secs Computing kpt #: 119 total cpu time spent up to now is 95.5 secs Computing kpt #: 120 total cpu time spent up to now is 95.8 secs Computing kpt #: 121 total cpu time spent up to now is 96.3 secs Computing kpt #: 122 total cpu time spent up to now is 96.6 secs Computing kpt #: 123 total cpu time spent up to now is 96.9 secs Computing kpt #: 124 total cpu time spent up to now is 97.2 secs Computing kpt #: 125 total cpu time spent up to now is 97.9 secs Computing kpt #: 126 total cpu time spent up to now is 98.4 secs Computing kpt #: 127 total cpu time spent up to now is 98.8 secs Computing kpt #: 128 total cpu time spent up to now is 99.2 secs Computing kpt #: 129 total cpu time spent up to now is 99.6 secs Computing kpt #: 130 total cpu time spent up to now is 100.1 secs Computing kpt #: 131 total cpu time spent up to now is 100.8 secs Computing kpt #: 132 total cpu time spent up to now is 101.4 secs Computing kpt #: 133 total cpu time spent up to now is 102.9 secs Computing kpt #: 134 total cpu time spent up to now is 103.7 secs Computing kpt #: 135 total cpu time spent up to now is 104.5 secs Computing kpt #: 136 total cpu time spent up to now is 105.3 secs Computing kpt #: 137 total cpu time spent up to now is 105.6 secs Computing kpt #: 138 total cpu time spent up to now is 105.9 secs Computing kpt #: 139 total cpu time spent up to now is 106.2 secs Computing kpt #: 140 total cpu time spent up to now is 106.5 secs Computing kpt #: 141 total cpu time spent up to now is 106.9 secs Computing kpt #: 142 total cpu time spent up to now is 107.2 secs Computing kpt #: 143 total cpu time spent up to now is 107.5 secs Computing kpt #: 144 total cpu time spent up to now is 107.8 secs Computing kpt #: 145 total cpu time spent up to now is 108.1 secs Computing kpt #: 146 total cpu time spent up to now is 108.4 secs Computing kpt #: 147 total cpu time spent up to now is 108.7 secs Computing kpt #: 148 total cpu time spent up to now is 109.0 secs Computing kpt #: 149 total cpu time spent up to now is 109.3 secs Computing kpt #: 150 total cpu time spent up to now is 109.6 secs Computing kpt #: 151 total cpu time spent up to now is 109.9 secs Computing kpt #: 152 total cpu time spent up to now is 110.2 secs Computing kpt #: 153 total cpu time spent up to now is 110.5 secs Computing kpt #: 154 total cpu time spent up to now is 110.8 secs Computing kpt #: 155 total cpu time spent up to now is 111.1 secs Computing kpt #: 156 total cpu time spent up to now is 111.4 secs Computing kpt #: 157 total cpu time spent up to now is 111.7 secs Computing kpt #: 158 total cpu time spent up to now is 112.1 secs Computing kpt #: 159 total cpu time spent up to now is 112.4 secs Computing kpt #: 160 total cpu time spent up to now is 112.7 secs Computing kpt #: 161 total cpu time spent up to now is 113.0 secs Computing kpt #: 162 total cpu time spent up to now is 113.3 secs Computing kpt #: 163 total cpu time spent up to now is 113.7 secs Computing kpt #: 164 total cpu time spent up to now is 114.0 secs Computing kpt #: 165 total cpu time spent up to now is 114.4 secs Computing kpt #: 166 total cpu time spent up to now is 114.8 secs Computing kpt #: 167 total cpu time spent up to now is 116.3 secs Computing kpt #: 168 total cpu time spent up to now is 117.3 secs Computing kpt #: 169 total cpu time spent up to now is 118.4 secs Computing kpt #: 170 total cpu time spent up to now is 119.2 secs Computing kpt #: 171 total cpu time spent up to now is 120.1 secs Computing kpt #: 172 total cpu time spent up to now is 120.6 secs Computing kpt #: 173 total cpu time spent up to now is 121.2 secs Computing kpt #: 174 total cpu time spent up to now is 121.6 secs Computing kpt #: 175 total cpu time spent up to now is 122.0 secs Computing kpt #: 176 total cpu time spent up to now is 122.5 secs Computing kpt #: 177 total cpu time spent up to now is 123.1 secs Computing kpt #: 178 total cpu time spent up to now is 123.4 secs Computing kpt #: 179 total cpu time spent up to now is 123.8 secs Computing kpt #: 180 total cpu time spent up to now is 124.1 secs Computing kpt #: 181 total cpu time spent up to now is 124.5 secs Computing kpt #: 182 total cpu time spent up to now is 125.7 secs Computing kpt #: 183 total cpu time spent up to now is 127.4 secs Computing kpt #: 184 total cpu time spent up to now is 128.2 secs Computing kpt #: 185 total cpu time spent up to now is 129.0 secs Computing kpt #: 186 total cpu time spent up to now is 129.4 secs Computing kpt #: 187 total cpu time spent up to now is 129.7 secs Computing kpt #: 188 total cpu time spent up to now is 130.0 secs Computing kpt #: 189 total cpu time spent up to now is 130.3 secs Computing kpt #: 190 total cpu time spent up to now is 130.6 secs Computing kpt #: 191 total cpu time spent up to now is 131.5 secs Computing kpt #: 192 total cpu time spent up to now is 132.0 secs Computing kpt #: 193 total cpu time spent up to now is 132.4 secs Computing kpt #: 194 total cpu time spent up to now is 132.8 secs Computing kpt #: 195 total cpu time spent up to now is 133.2 secs Computing kpt #: 196 total cpu time spent up to now is 133.8 secs Computing kpt #: 197 total cpu time spent up to now is 134.5 secs Computing kpt #: 198 total cpu time spent up to now is 135.0 secs Computing kpt #: 199 total cpu time spent up to now is 135.5 secs Computing kpt #: 200 total cpu time spent up to now is 136.1 secs Computing kpt #: 201 total cpu time spent up to now is 136.6 secs Computing kpt #: 202 total cpu time spent up to now is 137.3 secs Computing kpt #: 203 total cpu time spent up to now is 137.8 secs Computing kpt #: 204 total cpu time spent up to now is 138.3 secs Computing kpt #: 205 total cpu time spent up to now is 138.7 secs Computing kpt #: 206 total cpu time spent up to now is 139.2 secs Computing kpt #: 207 total cpu time spent up to now is 139.7 secs Computing kpt #: 208 total cpu time spent up to now is 140.2 secs Computing kpt #: 209 total cpu time spent up to now is 140.6 secs Computing kpt #: 210 total cpu time spent up to now is 141.1 secs Computing kpt #: 211 total cpu time spent up to now is 142.0 secs Computing kpt #: 212 total cpu time spent up to now is 143.5 secs Computing kpt #: 213 total cpu time spent up to now is 144.7 secs Computing kpt #: 214 total cpu time spent up to now is 145.8 secs Computing kpt #: 215 total cpu time spent up to now is 146.9 secs Computing kpt #: 216 total cpu time spent up to now is 147.6 secs Computing kpt #: 217 total cpu time spent up to now is 148.2 secs Computing kpt #: 218 total cpu time spent up to now is 148.9 secs Computing kpt #: 219 total cpu time spent up to now is 149.4 secs Computing kpt #: 220 total cpu time spent up to now is 149.9 secs Computing kpt #: 221 total cpu time spent up to now is 150.3 secs Computing kpt #: 222 total cpu time spent up to now is 150.7 secs Computing kpt #: 223 total cpu time spent up to now is 151.2 secs Computing kpt #: 224 total cpu time spent up to now is 151.7 secs Computing kpt #: 225 total cpu time spent up to now is 152.1 secs Computing kpt #: 226 total cpu time spent up to now is 152.6 secs Computing kpt #: 227 total cpu time spent up to now is 153.4 secs Computing kpt #: 228 total cpu time spent up to now is 154.4 secs Computing kpt #: 229 total cpu time spent up to now is 155.4 secs Computing kpt #: 230 total cpu time spent up to now is 157.0 secs Computing kpt #: 231 total cpu time spent up to now is 157.6 secs Computing kpt #: 232 total cpu time spent up to now is 158.2 secs Computing kpt #: 233 total cpu time spent up to now is 158.8 secs Computing kpt #: 234 total cpu time spent up to now is 159.3 secs Computing kpt #: 235 total cpu time spent up to now is 159.8 secs Computing kpt #: 236 total cpu time spent up to now is 160.3 secs Computing kpt #: 237 total cpu time spent up to now is 161.0 secs Computing kpt #: 238 total cpu time spent up to now is 162.4 secs Computing kpt #: 239 total cpu time spent up to now is 163.8 secs Computing kpt #: 240 total cpu time spent up to now is 164.9 secs Computing kpt #: 241 total cpu time spent up to now is 166.5 secs Computing kpt #: 242 total cpu time spent up to now is 167.4 secs Computing kpt #: 243 total cpu time spent up to now is 168.5 secs Computing kpt #: 244 total cpu time spent up to now is 169.0 secs Computing kpt #: 245 total cpu time spent up to now is 169.6 secs Computing kpt #: 246 total cpu time spent up to now is 170.0 secs Computing kpt #: 247 total cpu time spent up to now is 170.4 secs Computing kpt #: 248 total cpu time spent up to now is 170.8 secs Computing kpt #: 249 total cpu time spent up to now is 171.2 secs Computing kpt #: 250 total cpu time spent up to now is 171.7 secs Computing kpt #: 251 total cpu time spent up to now is 172.1 secs Computing kpt #: 252 total cpu time spent up to now is 172.5 secs Computing kpt #: 253 total cpu time spent up to now is 173.3 secs Computing kpt #: 254 total cpu time spent up to now is 173.8 secs Computing kpt #: 255 total cpu time spent up to now is 174.4 secs Computing kpt #: 256 total cpu time spent up to now is 175.2 secs Computing kpt #: 257 total cpu time spent up to now is 175.8 secs Computing kpt #: 258 total cpu time spent up to now is 176.5 secs Computing kpt #: 259 total cpu time spent up to now is 177.2 secs Computing kpt #: 260 total cpu time spent up to now is 177.8 secs Computing kpt #: 261 total cpu time spent up to now is 178.6 secs Computing kpt #: 262 total cpu time spent up to now is 179.3 secs Computing kpt #: 263 total cpu time spent up to now is 179.8 secs Computing kpt #: 264 total cpu time spent up to now is 180.3 secs Computing kpt #: 265 total cpu time spent up to now is 180.8 secs Computing kpt #: 266 total cpu time spent up to now is 181.3 secs Computing kpt #: 267 total cpu time spent up to now is 181.8 secs Computing kpt #: 268 total cpu time spent up to now is 182.3 secs Computing kpt #: 269 total cpu time spent up to now is 182.9 secs Computing kpt #: 270 total cpu time spent up to now is 183.4 secs Computing kpt #: 271 total cpu time spent up to now is 183.9 secs Computing kpt #: 272 total cpu time spent up to now is 184.4 secs Computing kpt #: 273 total cpu time spent up to now is 185.1 secs Computing kpt #: 274 total cpu time spent up to now is 185.7 secs Computing kpt #: 275 total cpu time spent up to now is 186.3 secs Computing kpt #: 276 total cpu time spent up to now is 186.8 secs Computing kpt #: 277 total cpu time spent up to now is 187.3 secs Computing kpt #: 278 total cpu time spent up to now is 187.8 secs Computing kpt #: 279 total cpu time spent up to now is 188.7 secs Computing kpt #: 280 total cpu time spent up to now is 189.4 secs Computing kpt #: 281 total cpu time spent up to now is 189.9 secs Computing kpt #: 282 total cpu time spent up to now is 190.5 secs Computing kpt #: 283 total cpu time spent up to now is 190.8 secs Computing kpt #: 284 total cpu time spent up to now is 191.3 secs Computing kpt #: 285 total cpu time spent up to now is 191.9 secs Computing kpt #: 286 total cpu time spent up to now is 192.4 secs Computing kpt #: 287 total cpu time spent up to now is 192.7 secs Computing kpt #: 288 total cpu time spent up to now is 193.0 secs Computing kpt #: 289 total cpu time spent up to now is 193.4 secs Computing kpt #: 290 total cpu time spent up to now is 193.7 secs Computing kpt #: 291 total cpu time spent up to now is 194.0 secs Computing kpt #: 292 total cpu time spent up to now is 194.3 secs Computing kpt #: 293 total cpu time spent up to now is 194.7 secs Computing kpt #: 294 total cpu time spent up to now is 195.0 secs Computing kpt #: 295 total cpu time spent up to now is 195.3 secs Computing kpt #: 296 total cpu time spent up to now is 195.7 secs Computing kpt #: 297 total cpu time spent up to now is 196.1 secs Computing kpt #: 298 total cpu time spent up to now is 196.4 secs Computing kpt #: 299 total cpu time spent up to now is 196.8 secs Computing kpt #: 300 total cpu time spent up to now is 197.2 secs Computing kpt #: 301 total cpu time spent up to now is 197.5 secs Computing kpt #: 302 total cpu time spent up to now is 197.9 secs Computing kpt #: 303 total cpu time spent up to now is 198.2 secs Computing kpt #: 304 total cpu time spent up to now is 198.6 secs Computing kpt #: 305 total cpu time spent up to now is 198.9 secs Computing kpt #: 306 total cpu time spent up to now is 199.3 secs Computing kpt #: 307 total cpu time spent up to now is 199.7 secs Computing kpt #: 308 total cpu time spent up to now is 200.2 secs Computing kpt #: 309 total cpu time spent up to now is 200.8 secs Computing kpt #: 310 total cpu time spent up to now is 201.2 secs Computing kpt #: 311 total cpu time spent up to now is 201.8 secs Computing kpt #: 312 total cpu time spent up to now is 202.5 secs Computing kpt #: 313 total cpu time spent up to now is 203.2 secs Computing kpt #: 314 total cpu time spent up to now is 203.9 secs Computing kpt #: 315 total cpu time spent up to now is 204.5 secs Computing kpt #: 316 total cpu time spent up to now is 205.0 secs Computing kpt #: 317 total cpu time spent up to now is 205.3 secs Computing kpt #: 318 total cpu time spent up to now is 205.6 secs Computing kpt #: 319 total cpu time spent up to now is 205.9 secs Computing kpt #: 320 total cpu time spent up to now is 206.2 secs Computing kpt #: 321 total cpu time spent up to now is 206.6 secs Computing kpt #: 322 total cpu time spent up to now is 206.9 secs Computing kpt #: 323 total cpu time spent up to now is 207.2 secs Computing kpt #: 324 total cpu time spent up to now is 207.7 secs Computing kpt #: 325 total cpu time spent up to now is 208.1 secs Computing kpt #: 326 total cpu time spent up to now is 208.4 secs Computing kpt #: 327 total cpu time spent up to now is 208.7 secs Computing kpt #: 328 total cpu time spent up to now is 209.0 secs Computing kpt #: 329 total cpu time spent up to now is 209.3 secs Computing kpt #: 330 total cpu time spent up to now is 209.7 secs Computing kpt #: 331 total cpu time spent up to now is 210.0 secs Computing kpt #: 332 total cpu time spent up to now is 210.6 secs Computing kpt #: 333 total cpu time spent up to now is 212.9 secs Computing kpt #: 334 total cpu time spent up to now is 213.7 secs Computing kpt #: 335 total cpu time spent up to now is 214.2 secs Computing kpt #: 336 total cpu time spent up to now is 214.8 secs Computing kpt #: 337 total cpu time spent up to now is 215.5 secs Computing kpt #: 338 total cpu time spent up to now is 216.8 secs Computing kpt #: 339 total cpu time spent up to now is 217.4 secs Computing kpt #: 340 total cpu time spent up to now is 218.2 secs Computing kpt #: 341 total cpu time spent up to now is 219.0 secs Computing kpt #: 342 total cpu time spent up to now is 219.6 secs Computing kpt #: 343 total cpu time spent up to now is 220.2 secs Computing kpt #: 344 total cpu time spent up to now is 220.5 secs Computing kpt #: 345 total cpu time spent up to now is 220.8 secs Computing kpt #: 346 total cpu time spent up to now is 221.1 secs Computing kpt #: 347 total cpu time spent up to now is 221.4 secs Computing kpt #: 348 total cpu time spent up to now is 221.8 secs Computing kpt #: 349 total cpu time spent up to now is 222.1 secs Computing kpt #: 350 total cpu time spent up to now is 222.4 secs Computing kpt #: 351 total cpu time spent up to now is 222.7 secs Computing kpt #: 352 total cpu time spent up to now is 223.0 secs Computing kpt #: 353 total cpu time spent up to now is 223.3 secs Computing kpt #: 354 total cpu time spent up to now is 223.7 secs Computing kpt #: 355 total cpu time spent up to now is 224.2 secs Computing kpt #: 356 total cpu time spent up to now is 224.6 secs Computing kpt #: 357 total cpu time spent up to now is 224.9 secs Computing kpt #: 358 total cpu time spent up to now is 225.9 secs Computing kpt #: 359 total cpu time spent up to now is 227.7 secs Computing kpt #: 360 total cpu time spent up to now is 228.2 secs Computing kpt #: 361 total cpu time spent up to now is 228.8 secs Computing kpt #: 362 total cpu time spent up to now is 229.6 secs Computing kpt #: 363 total cpu time spent up to now is 230.4 secs Computing kpt #: 364 total cpu time spent up to now is 231.6 secs Computing kpt #: 365 total cpu time spent up to now is 233.3 secs Computing kpt #: 366 total cpu time spent up to now is 234.7 secs Computing kpt #: 367 total cpu time spent up to now is 235.3 secs Computing kpt #: 368 total cpu time spent up to now is 235.8 secs Computing kpt #: 369 total cpu time spent up to now is 236.4 secs Computing kpt #: 370 total cpu time spent up to now is 236.8 secs Computing kpt #: 371 total cpu time spent up to now is 238.1 secs Computing kpt #: 372 total cpu time spent up to now is 239.0 secs Computing kpt #: 373 total cpu time spent up to now is 239.8 secs Computing kpt #: 374 total cpu time spent up to now is 241.0 secs Computing kpt #: 375 total cpu time spent up to now is 241.6 secs Computing kpt #: 376 total cpu time spent up to now is 242.6 secs Computing kpt #: 377 total cpu time spent up to now is 243.1 secs Computing kpt #: 378 total cpu time spent up to now is 243.7 secs Computing kpt #: 379 total cpu time spent up to now is 245.0 secs Computing kpt #: 380 total cpu time spent up to now is 246.0 secs Computing kpt #: 381 total cpu time spent up to now is 247.0 secs Computing kpt #: 382 total cpu time spent up to now is 247.4 secs Computing kpt #: 383 total cpu time spent up to now is 247.7 secs Computing kpt #: 384 total cpu time spent up to now is 248.0 secs Computing kpt #: 385 total cpu time spent up to now is 248.4 secs Computing kpt #: 386 total cpu time spent up to now is 248.7 secs Computing kpt #: 387 total cpu time spent up to now is 249.0 secs Computing kpt #: 388 total cpu time spent up to now is 249.3 secs Computing kpt #: 389 total cpu time spent up to now is 249.7 secs Computing kpt #: 390 total cpu time spent up to now is 250.0 secs Computing kpt #: 391 total cpu time spent up to now is 250.3 secs Computing kpt #: 392 total cpu time spent up to now is 250.6 secs Computing kpt #: 393 total cpu time spent up to now is 250.9 secs Computing kpt #: 394 total cpu time spent up to now is 251.3 secs Computing kpt #: 395 total cpu time spent up to now is 251.6 secs Computing kpt #: 396 total cpu time spent up to now is 252.0 secs Computing kpt #: 397 total cpu time spent up to now is 252.9 secs Computing kpt #: 398 total cpu time spent up to now is 253.7 secs Computing kpt #: 399 total cpu time spent up to now is 254.2 secs Computing kpt #: 400 total cpu time spent up to now is 255.4 secs Computing kpt #: 401 total cpu time spent up to now is 256.2 secs Computing kpt #: 402 total cpu time spent up to now is 256.6 secs Computing kpt #: 403 total cpu time spent up to now is 257.5 secs Computing kpt #: 404 total cpu time spent up to now is 258.3 secs Computing kpt #: 405 total cpu time spent up to now is 259.3 secs Computing kpt #: 406 total cpu time spent up to now is 259.7 secs Computing kpt #: 407 total cpu time spent up to now is 260.2 secs Computing kpt #: 408 total cpu time spent up to now is 260.9 secs Computing kpt #: 409 total cpu time spent up to now is 261.7 secs Computing kpt #: 410 total cpu time spent up to now is 262.3 secs Computing kpt #: 411 total cpu time spent up to now is 263.3 secs Computing kpt #: 412 total cpu time spent up to now is 263.8 secs Computing kpt #: 413 total cpu time spent up to now is 264.5 secs Computing kpt #: 414 total cpu time spent up to now is 265.0 secs Computing kpt #: 415 total cpu time spent up to now is 265.5 secs Computing kpt #: 416 total cpu time spent up to now is 266.1 secs Computing kpt #: 417 total cpu time spent up to now is 267.2 secs Computing kpt #: 418 total cpu time spent up to now is 267.9 secs Computing kpt #: 419 total cpu time spent up to now is 268.2 secs Computing kpt #: 420 total cpu time spent up to now is 268.5 secs Computing kpt #: 421 total cpu time spent up to now is 268.8 secs Computing kpt #: 422 total cpu time spent up to now is 269.1 secs Computing kpt #: 423 total cpu time spent up to now is 269.4 secs Computing kpt #: 424 total cpu time spent up to now is 269.7 secs Computing kpt #: 425 total cpu time spent up to now is 270.0 secs Computing kpt #: 426 total cpu time spent up to now is 270.3 secs Computing kpt #: 427 total cpu time spent up to now is 270.6 secs Computing kpt #: 428 total cpu time spent up to now is 270.9 secs Computing kpt #: 429 total cpu time spent up to now is 271.3 secs Computing kpt #: 430 total cpu time spent up to now is 271.6 secs Computing kpt #: 431 total cpu time spent up to now is 271.9 secs Computing kpt #: 432 total cpu time spent up to now is 272.2 secs Computing kpt #: 433 total cpu time spent up to now is 272.6 secs Computing kpt #: 434 total cpu time spent up to now is 272.9 secs Computing kpt #: 435 total cpu time spent up to now is 273.2 secs Computing kpt #: 436 total cpu time spent up to now is 273.6 secs Computing kpt #: 437 total cpu time spent up to now is 274.2 secs Computing kpt #: 438 total cpu time spent up to now is 274.9 secs Computing kpt #: 439 total cpu time spent up to now is 275.3 secs Computing kpt #: 440 total cpu time spent up to now is 275.7 secs Computing kpt #: 441 total cpu time spent up to now is 276.3 secs Computing kpt #: 442 total cpu time spent up to now is 276.7 secs Computing kpt #: 443 total cpu time spent up to now is 277.6 secs Computing kpt #: 444 total cpu time spent up to now is 278.3 secs Computing kpt #: 445 total cpu time spent up to now is 279.1 secs Computing kpt #: 446 total cpu time spent up to now is 279.5 secs Computing kpt #: 447 total cpu time spent up to now is 280.2 secs Computing kpt #: 448 total cpu time spent up to now is 280.8 secs Computing kpt #: 449 total cpu time spent up to now is 281.3 secs Computing kpt #: 450 total cpu time spent up to now is 281.8 secs Computing kpt #: 451 total cpu time spent up to now is 282.4 secs Computing kpt #: 452 total cpu time spent up to now is 283.2 secs Computing kpt #: 453 total cpu time spent up to now is 284.5 secs Computing kpt #: 454 total cpu time spent up to now is 285.4 secs Computing kpt #: 455 total cpu time spent up to now is 285.8 secs Computing kpt #: 456 total cpu time spent up to now is 286.1 secs Computing kpt #: 457 total cpu time spent up to now is 286.5 secs Computing kpt #: 458 total cpu time spent up to now is 286.8 secs Computing kpt #: 459 total cpu time spent up to now is 287.1 secs Computing kpt #: 460 total cpu time spent up to now is 287.5 secs Computing kpt #: 461 total cpu time spent up to now is 287.8 secs Computing kpt #: 462 total cpu time spent up to now is 288.1 secs Computing kpt #: 463 total cpu time spent up to now is 288.4 secs Computing kpt #: 464 total cpu time spent up to now is 288.7 secs Computing kpt #: 465 total cpu time spent up to now is 289.0 secs Computing kpt #: 466 total cpu time spent up to now is 289.4 secs Computing kpt #: 467 total cpu time spent up to now is 289.7 secs Computing kpt #: 468 total cpu time spent up to now is 290.0 secs Computing kpt #: 469 total cpu time spent up to now is 290.9 secs Computing kpt #: 470 total cpu time spent up to now is 291.3 secs Computing kpt #: 471 total cpu time spent up to now is 291.6 secs Computing kpt #: 472 total cpu time spent up to now is 291.9 secs Computing kpt #: 473 total cpu time spent up to now is 292.2 secs Computing kpt #: 474 total cpu time spent up to now is 292.5 secs Computing kpt #: 475 total cpu time spent up to now is 292.8 secs Computing kpt #: 476 total cpu time spent up to now is 293.1 secs Computing kpt #: 477 total cpu time spent up to now is 293.4 secs Computing kpt #: 478 total cpu time spent up to now is 293.7 secs Computing kpt #: 479 total cpu time spent up to now is 295.0 secs Computing kpt #: 480 total cpu time spent up to now is 295.7 secs Computing kpt #: 481 total cpu time spent up to now is 296.5 secs Computing kpt #: 482 total cpu time spent up to now is 296.8 secs Computing kpt #: 483 total cpu time spent up to now is 297.4 secs Computing kpt #: 484 total cpu time spent up to now is 298.0 secs Computing kpt #: 485 total cpu time spent up to now is 298.4 secs Computing kpt #: 486 total cpu time spent up to now is 298.8 secs Computing kpt #: 487 total cpu time spent up to now is 299.2 secs Computing kpt #: 488 total cpu time spent up to now is 299.7 secs Computing kpt #: 489 total cpu time spent up to now is 300.2 secs Computing kpt #: 490 total cpu time spent up to now is 301.4 secs Computing kpt #: 491 total cpu time spent up to now is 302.2 secs Computing kpt #: 492 total cpu time spent up to now is 302.7 secs Computing kpt #: 493 total cpu time spent up to now is 303.7 secs Computing kpt #: 494 total cpu time spent up to now is 304.5 secs Computing kpt #: 495 total cpu time spent up to now is 305.2 secs Computing kpt #: 496 total cpu time spent up to now is 305.7 secs Computing kpt #: 497 total cpu time spent up to now is 306.6 secs Computing kpt #: 498 total cpu time spent up to now is 307.2 secs Computing kpt #: 499 total cpu time spent up to now is 307.8 secs Computing kpt #: 500 total cpu time spent up to now is 308.6 secs Computing kpt #: 501 total cpu time spent up to now is 309.5 secs Computing kpt #: 502 total cpu time spent up to now is 310.2 secs Computing kpt #: 503 total cpu time spent up to now is 310.7 secs Computing kpt #: 504 total cpu time spent up to now is 311.1 secs Computing kpt #: 505 total cpu time spent up to now is 311.4 secs Computing kpt #: 506 total cpu time spent up to now is 311.7 secs Computing kpt #: 507 total cpu time spent up to now is 312.0 secs Computing kpt #: 508 total cpu time spent up to now is 312.4 secs Computing kpt #: 509 total cpu time spent up to now is 312.7 secs Computing kpt #: 510 total cpu time spent up to now is 313.0 secs Computing kpt #: 511 total cpu time spent up to now is 313.3 secs Computing kpt #: 512 total cpu time spent up to now is 313.7 secs Computing kpt #: 513 total cpu time spent up to now is 314.0 secs Computing kpt #: 514 total cpu time spent up to now is 314.3 secs Computing kpt #: 515 total cpu time spent up to now is 314.9 secs Computing kpt #: 516 total cpu time spent up to now is 315.3 secs Computing kpt #: 517 total cpu time spent up to now is 315.7 secs Computing kpt #: 518 total cpu time spent up to now is 316.4 secs Computing kpt #: 519 total cpu time spent up to now is 316.8 secs Computing kpt #: 520 total cpu time spent up to now is 317.3 secs Computing kpt #: 521 total cpu time spent up to now is 317.8 secs Computing kpt #: 522 total cpu time spent up to now is 318.3 secs Computing kpt #: 523 total cpu time spent up to now is 318.8 secs Computing kpt #: 524 total cpu time spent up to now is 319.7 secs Computing kpt #: 525 total cpu time spent up to now is 320.4 secs Computing kpt #: 526 total cpu time spent up to now is 321.0 secs Computing kpt #: 527 total cpu time spent up to now is 321.9 secs Computing kpt #: 528 total cpu time spent up to now is 322.8 secs Computing kpt #: 529 total cpu time spent up to now is 324.9 secs Computing kpt #: 530 total cpu time spent up to now is 326.0 secs Computing kpt #: 531 total cpu time spent up to now is 326.6 secs Computing kpt #: 532 total cpu time spent up to now is 327.1 secs Computing kpt #: 533 total cpu time spent up to now is 327.6 secs Computing kpt #: 534 total cpu time spent up to now is 328.0 secs Computing kpt #: 535 total cpu time spent up to now is 328.5 secs Computing kpt #: 536 total cpu time spent up to now is 329.0 secs Computing kpt #: 537 total cpu time spent up to now is 329.5 secs Computing kpt #: 538 total cpu time spent up to now is 329.9 secs Computing kpt #: 539 total cpu time spent up to now is 330.8 secs Computing kpt #: 540 total cpu time spent up to now is 331.1 secs Computing kpt #: 541 total cpu time spent up to now is 331.5 secs Computing kpt #: 542 total cpu time spent up to now is 331.9 secs Computing kpt #: 543 total cpu time spent up to now is 332.2 secs Computing kpt #: 544 total cpu time spent up to now is 332.5 secs Computing kpt #: 545 total cpu time spent up to now is 332.9 secs Computing kpt #: 546 total cpu time spent up to now is 333.2 secs Computing kpt #: 547 total cpu time spent up to now is 333.5 secs Computing kpt #: 548 total cpu time spent up to now is 333.8 secs Computing kpt #: 549 total cpu time spent up to now is 334.1 secs Computing kpt #: 550 total cpu time spent up to now is 334.5 secs Computing kpt #: 551 total cpu time spent up to now is 334.8 secs Computing kpt #: 552 total cpu time spent up to now is 335.1 secs Computing kpt #: 553 total cpu time spent up to now is 335.4 secs Computing kpt #: 554 total cpu time spent up to now is 335.7 secs Computing kpt #: 555 total cpu time spent up to now is 336.0 secs Computing kpt #: 556 total cpu time spent up to now is 336.3 secs Computing kpt #: 557 total cpu time spent up to now is 336.6 secs Computing kpt #: 558 total cpu time spent up to now is 337.0 secs Computing kpt #: 559 total cpu time spent up to now is 337.5 secs Computing kpt #: 560 total cpu time spent up to now is 338.1 secs Computing kpt #: 561 total cpu time spent up to now is 338.4 secs Computing kpt #: 562 total cpu time spent up to now is 339.5 secs Computing kpt #: 563 total cpu time spent up to now is 339.9 secs Computing kpt #: 564 total cpu time spent up to now is 340.3 secs Computing kpt #: 565 total cpu time spent up to now is 340.7 secs Computing kpt #: 566 total cpu time spent up to now is 341.2 secs Computing kpt #: 567 total cpu time spent up to now is 341.7 secs Computing kpt #: 568 total cpu time spent up to now is 342.1 secs Computing kpt #: 569 total cpu time spent up to now is 342.5 secs Computing kpt #: 570 total cpu time spent up to now is 343.4 secs Computing kpt #: 571 total cpu time spent up to now is 344.4 secs Computing kpt #: 572 total cpu time spent up to now is 345.6 secs ethr = 4.17E-11, avg # of iterations = 18.7 total cpu time spent up to now is 345.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1591 PWs) bands (ev): -72.8827 -72.8827 -43.2741 -43.2741 -37.0637 -37.0637 -36.8805 -36.8805 -16.4369 -16.4369 -14.8140 -14.8140 -2.2265 -2.2265 -2.1504 -2.1504 2.5854 2.5854 2.9378 2.9378 3.3579 3.3579 7.6293 7.6293 8.6235 8.6235 15.3264 15.3264 18.9961 18.9961 20.4508 20.4508 k = 0.0050 0.0088-0.0000 ( 1591 PWs) bands (ev): -72.8827 -72.8827 -43.2741 -43.2741 -37.0638 -37.0637 -36.8805 -36.8805 -16.4366 -16.4365 -14.8140 -14.8140 -2.2271 -2.2269 -2.1503 -2.1502 2.5852 2.5852 2.9356 2.9363 3.3575 3.3583 7.6292 7.6300 8.6255 8.6262 15.3281 15.3282 18.9957 18.9957 20.4399 20.4418 k = 0.0100 0.0176-0.0000 ( 1595 PWs) bands (ev): -72.8828 -72.8828 -43.2743 -43.2743 -37.0638 -37.0638 -36.8806 -36.8806 -16.4357 -16.4355 -14.8141 -14.8141 -2.2288 -2.2283 -2.1501 -2.1499 2.5847 2.5848 2.9295 2.9309 3.3571 3.3586 7.6294 7.6310 8.6322 8.6335 15.3334 15.3335 18.9941 18.9942 20.4095 20.4132 k = 0.0150 0.0264-0.0000 ( 1587 PWs) bands (ev): -72.8828 -72.8828 -43.2743 -43.2743 -37.0638 -37.0637 -36.8805 -36.8805 -16.4341 -16.4338 -14.8141 -14.8141 -2.2313 -2.2305 -2.1495 -2.1493 2.5841 2.5841 2.9198 2.9218 3.3568 3.3589 7.6305 7.6329 8.6436 8.6456 15.3422 15.3424 18.9919 18.9919 20.3615 20.3668 k = 0.0201 0.0352-0.0000 ( 1595 PWs) bands (ev): -72.8828 -72.8828 -43.2746 -43.2746 -37.0639 -37.0639 -36.8807 -36.8807 -16.4318 -16.4314 -14.8143 -14.8142 -2.2352 -2.2342 -2.1489 -2.1487 2.5830 2.5831 2.9063 2.9088 3.3564 3.3591 7.6316 7.6349 8.6597 8.6624 15.3544 15.3547 18.9886 18.9886 20.2975 20.3043 k = 0.0251 0.0440-0.0000 ( 1591 PWs) bands (ev): -72.8828 -72.8828 -43.2746 -43.2746 -37.0640 -37.0639 -36.8808 -36.8808 -16.4289 -16.4284 -14.8143 -14.8143 -2.2399 -2.2387 -2.1478 -2.1476 2.5817 2.5818 2.8894 2.8924 3.3560 3.3593 7.6334 7.6374 8.6805 8.6838 15.3701 15.3704 18.9844 18.9845 20.2203 20.2283 k = 0.0301 0.0529-0.0000 ( 1595 PWs) bands (ev): -72.8828 -72.8828 -43.2747 -43.2747 -37.0641 -37.0640 -36.8809 -36.8809 -16.4253 -16.4248 -14.8145 -14.8145 -2.2461 -2.2446 -2.1466 -2.1463 2.5801 2.5802 2.8691 2.8725 3.3556 3.3593 7.6352 7.6399 8.7060 8.7099 15.3890 15.3894 18.9793 18.9793 20.1319 20.1409 k = 0.0351 0.0617-0.0000 ( 1599 PWs) bands (ev): -72.8828 -72.8828 -43.2749 -43.2748 -37.0643 -37.0642 -36.8811 -36.8811 -16.4211 -16.4205 -14.8147 -14.8146 -2.2533 -2.2516 -2.1450 -2.1446 2.5782 2.5783 2.8455 2.8493 3.3551 3.3592 7.6372 7.6426 8.7362 8.7406 15.4111 15.4116 18.9733 18.9733 20.0345 20.0444 k = 0.0401 0.0705-0.0000 ( 1599 PWs) bands (ev): -72.8828 -72.8828 -43.2750 -43.2750 -37.0644 -37.0643 -36.8813 -36.8813 -16.4163 -16.4156 -14.8149 -14.8148 -2.2615 -2.2596 -2.1429 -2.1426 2.5760 2.5762 2.8191 2.8231 3.3546 3.3590 7.6391 7.6451 8.7711 8.7760 15.4363 15.4369 18.9664 18.9664 19.9300 19.9406 k = 0.0451 0.0793-0.0000 ( 1597 PWs) bands (ev): -72.8827 -72.8827 -43.2751 -43.2751 -37.0645 -37.0644 -36.8814 -36.8814 -16.4109 -16.4100 -14.8151 -14.8151 -2.2708 -2.2687 -2.1404 -2.1401 2.5736 2.5738 2.7899 2.7941 3.3539 3.3586 7.6410 7.6476 8.8105 8.8158 15.4643 15.4650 18.9586 18.9586 19.8200 19.8312 k = 0.0502 0.0881-0.0000 ( 1597 PWs) bands (ev): -72.8827 -72.8827 -43.2753 -43.2753 -37.0647 -37.0646 -36.8816 -36.8816 -16.4048 -16.4039 -14.8154 -14.8153 -2.2811 -2.2788 -2.1376 -2.1372 2.5708 2.5710 2.7582 2.7624 3.3532 3.3580 7.6425 7.6496 8.8544 8.8601 15.4951 15.4958 18.9499 18.9500 19.7057 19.7174 k = 0.0552 0.0969-0.0000 ( 1593 PWs) bands (ev): -72.8826 -72.8826 -43.2753 -43.2753 -37.0649 -37.0648 -36.8818 -36.8818 -16.3981 -16.3971 -14.8157 -14.8156 -2.2924 -2.2899 -2.1344 -2.1340 2.5676 2.5680 2.7243 2.7285 3.3524 3.3573 7.6439 7.6516 8.9026 8.9088 15.5283 15.5292 18.9404 18.9405 19.5884 19.6005 k = 0.0602 0.1057-0.0000 ( 1589 PWs) bands (ev): -72.8826 -72.8826 -43.2755 -43.2755 -37.0651 -37.0649 -36.8820 -36.8820 -16.3909 -16.3898 -14.8159 -14.8159 -2.3046 -2.3020 -2.1307 -2.1303 2.5640 2.5645 2.6885 2.6926 3.3513 3.3563 7.6448 7.6530 8.9551 8.9616 15.5638 15.5648 18.9300 18.9301 19.4691 19.4815 k = 0.0652 0.1145-0.0000 ( 1589 PWs) bands (ev): -72.8826 -72.8826 -43.2757 -43.2757 -37.0653 -37.0651 -36.8823 -36.8823 -16.3831 -16.3819 -14.8163 -14.8163 -2.3178 -2.3150 -2.1268 -2.1264 2.5596 2.5603 2.6513 2.6551 3.3500 3.3551 7.6449 7.6534 9.0117 9.0184 15.6013 15.6024 18.9187 18.9189 19.3485 19.3611 k = 0.0702 0.1233-0.0000 ( 1597 PWs) bands (ev): -72.8826 -72.8826 -43.2761 -43.2761 -37.0656 -37.0655 -36.8826 -36.8826 -16.3747 -16.3735 -14.8168 -14.8167 -2.3320 -2.3290 -2.1227 -2.1223 2.5534 2.5547 2.6138 2.6170 3.3485 3.3535 7.6438 7.6528 9.0722 9.0791 15.6404 15.6418 18.9066 18.9068 19.2273 19.2400 k = 0.0752 0.1321-0.0000 ( 1601 PWs) bands (ev): -72.8825 -72.8825 -43.2764 -43.2764 -37.0659 -37.0657 -36.8829 -36.8829 -16.3659 -16.3645 -14.8173 -14.8172 -2.3467 -2.3437 -2.1182 -2.1178 2.5410 2.5442 2.5809 2.5822 3.3468 3.3518 7.6425 7.6518 9.1364 9.1435 15.6810 15.6825 18.8936 18.8939 19.1064 19.1192 k = 0.0803 0.1409-0.0000 ( 1601 PWs) bands (ev): -72.8825 -72.8825 -43.2767 -43.2766 -37.0661 -37.0660 -36.8832 -36.8832 -16.3564 -16.3550 -14.8179 -14.8178 -2.3621 -2.3589 -2.1134 -2.1131 2.5128 2.5177 2.5620 2.5625 3.3448 3.3498 7.6406 7.6502 9.2041 9.2114 15.7225 15.7243 18.8796 18.8802 18.9866 18.9991 k = 0.0853 0.1497-0.0000 ( 1601 PWs) bands (ev): -72.8825 -72.8825 -43.2770 -43.2769 -37.0664 -37.0662 -36.8835 -36.8835 -16.3465 -16.3450 -14.8185 -14.8184 -2.3781 -2.3748 -2.1084 -2.1080 2.4734 2.4784 2.5535 2.5541 3.3425 3.3475 7.6379 7.6478 9.2752 9.2826 15.7647 15.7668 18.8582 18.8658 18.8747 18.8802 k = 0.0903 0.1586-0.0000 ( 1601 PWs) bands (ev): -72.8824 -72.8824 -43.2773 -43.2772 -37.0667 -37.0665 -36.8838 -36.8838 -16.3361 -16.3345 -14.8191 -14.8191 -2.3947 -2.3912 -2.1031 -2.1028 2.4304 2.4353 2.5478 2.5483 3.3400 3.3448 7.6345 7.6447 9.3494 9.3569 15.8070 15.8094 18.7495 18.7632 18.8506 18.8513 k = 0.0953 0.1674-0.0000 ( 1591 PWs) bands (ev): -72.8823 -72.8823 -43.2774 -43.2773 -37.0669 -37.0667 -36.8840 -36.8840 -16.3252 -16.3236 -14.8198 -14.8198 -2.4112 -2.4076 -2.0976 -2.0973 2.3862 2.3909 2.5428 2.5432 3.3372 3.3421 7.6308 7.6412 9.4266 9.4342 15.8492 15.8519 18.6354 18.6487 18.8348 18.8352 k = 0.1003 0.1762-0.0000 ( 1597 PWs) bands (ev): -72.8823 -72.8823 -43.2778 -43.2778 -37.0673 -37.0671 -36.8844 -36.8844 -16.3140 -16.3123 -14.8207 -14.8207 -2.4287 -2.4249 -2.0920 -2.0917 2.3411 2.3456 2.5378 2.5382 3.3339 3.3387 7.6256 7.6362 9.5065 9.5140 15.8903 15.8934 18.5237 18.5366 18.8183 18.8185 k = 0.1053 0.1850-0.0000 ( 1597 PWs) bands (ev): -72.8823 -72.8823 -43.2782 -43.2781 -37.0676 -37.0674 -36.8847 -36.8847 -16.3023 -16.3005 -14.8216 -14.8215 -2.4464 -2.4425 -2.0862 -2.0859 2.2956 2.3000 2.5330 2.5333 3.3304 3.3350 7.6198 7.6306 9.5889 9.5965 15.9299 15.9335 18.4154 18.4280 18.8011 18.8013 k = 0.1104 0.1938-0.0000 ( 1593 PWs) bands (ev): -72.8822 -72.8822 -43.2786 -43.2785 -37.0679 -37.0677 -36.8850 -36.8850 -16.2902 -16.2884 -14.8225 -14.8225 -2.4642 -2.4603 -2.0802 -2.0799 2.2501 2.2544 2.5282 2.5285 3.3264 3.3310 7.6134 7.6243 9.6736 9.6812 15.9675 15.9717 18.3112 18.3234 18.7834 18.7836 k = 0.1154 0.2026-0.0000 ( 1595 PWs) bands (ev): -72.8822 -72.8822 -43.2789 -43.2789 -37.0682 -37.0680 -36.8853 -36.8853 -16.2778 -16.2759 -14.8236 -14.8235 -2.4824 -2.4783 -2.0741 -2.0738 2.2046 2.2088 2.5232 2.5235 3.3221 3.3266 7.6060 7.6171 9.7604 9.7680 16.0021 16.0070 18.2113 18.2230 18.7652 18.7653 k = 0.1204 0.2114-0.0000 ( 1599 PWs) bands (ev): -72.8821 -72.8821 -43.2793 -43.2793 -37.0686 -37.0684 -36.8857 -36.8857 -16.2650 -16.2631 -14.8247 -14.8246 -2.5007 -2.4965 -2.0678 -2.0676 2.1595 2.1635 2.5183 2.5186 3.3173 3.3218 7.5979 7.6091 9.8492 9.8568 16.0330 16.0386 18.1164 18.1274 18.7465 18.7466 k = 0.1254 0.2202-0.0000 ( 1599 PWs) bands (ev): -72.8821 -72.8821 -43.2798 -43.2797 -37.0689 -37.0687 -36.8860 -36.8860 -16.2519 -16.2499 -14.8259 -14.8258 -2.5189 -2.5147 -2.0615 -2.0612 2.1148 2.1188 2.5133 2.5136 3.3122 3.3166 7.5890 7.6003 9.9398 9.9473 16.0594 16.0659 18.0271 18.0375 18.7273 18.7274 k = 0.1304 0.2290-0.0000 ( 1595 PWs) bands (ev): -72.8820 -72.8820 -43.2802 -43.2801 -37.0693 -37.0690 -36.8863 -36.8863 -16.2386 -16.2365 -14.8271 -14.8271 -2.5370 -2.5328 -2.0551 -2.0548 2.0708 2.0747 2.5083 2.5086 3.3065 3.3109 7.5793 7.5908 10.0319 10.0393 16.0806 16.0881 17.9441 17.9536 18.7079 18.7080 k = 0.1354 0.2378-0.0000 ( 1593 PWs) bands (ev): -72.8819 -72.8819 -43.2806 -43.2805 -37.0696 -37.0693 -36.8867 -36.8867 -16.2250 -16.2229 -14.8284 -14.8284 -2.5550 -2.5507 -2.0486 -2.0484 2.0276 2.0314 2.5033 2.5035 3.3004 3.3047 7.5689 7.5804 10.1254 10.1328 16.0956 16.1042 17.8677 17.8763 18.6881 18.6882 k = 0.1405 0.2466-0.0000 ( 1589 PWs) bands (ev): -72.8818 -72.8818 -43.2810 -43.2810 -37.0699 -37.0697 -36.8870 -36.8870 -16.2112 -16.2091 -14.8298 -14.8298 -2.5727 -2.5683 -2.0421 -2.0419 1.9853 1.9890 2.4983 2.4985 3.2939 3.2981 7.5578 7.5693 10.2202 10.2275 16.1037 16.1135 17.7986 17.8060 18.6681 18.6682 k = 0.1455 0.2554-0.0000 ( 1591 PWs) bands (ev): -72.8818 -72.8818 -43.2815 -43.2814 -37.0703 -37.0700 -36.8873 -36.8873 -16.1972 -16.1950 -14.8313 -14.8313 -2.5904 -2.5859 -2.0356 -2.0354 1.9440 1.9476 2.4933 2.4935 3.2868 3.2910 7.5456 7.5572 10.3160 10.3233 16.1043 16.1154 17.7367 17.7429 18.6480 18.6480 k = 0.1505 0.2643-0.0000 ( 1591 PWs) bands (ev): -72.8817 -72.8817 -43.2820 -43.2819 -37.0707 -37.0704 -36.8876 -36.8876 -16.1831 -16.1809 -14.8329 -14.8329 -2.6076 -2.6031 -2.0292 -2.0290 1.9039 1.9074 2.4883 2.4885 3.2792 3.2833 7.5326 7.5443 10.4127 10.4199 16.0969 16.1094 17.6823 17.6873 18.6277 18.6278 k = 0.1555 0.2731-0.0000 ( 1593 PWs) bands (ev): -72.8817 -72.8817 -43.2826 -43.2825 -37.0710 -37.0707 -36.8880 -36.8880 -16.1688 -16.1666 -14.8346 -14.8346 -2.6245 -2.6199 -2.0228 -2.0225 1.8651 1.8685 2.4833 2.4835 3.2710 3.2751 7.5187 7.5305 10.5102 10.5173 16.0815 16.0954 17.6351 17.6389 18.6074 18.6075 k = 0.1605 0.2819-0.0000 ( 1597 PWs) bands (ev): -72.8816 -72.8816 -43.2832 -43.2831 -37.0714 -37.0711 -36.8883 -36.8883 -16.1545 -16.1522 -14.8364 -14.8363 -2.6409 -2.6363 -2.0165 -2.0163 1.8276 1.8311 2.4784 2.4786 3.2623 3.2664 7.5037 7.5155 10.6082 10.6152 16.0581 16.0735 17.5947 17.5972 18.5872 18.5872 k = 0.1655 0.2907-0.0000 ( 1597 PWs) bands (ev): -72.8816 -72.8816 -43.2837 -43.2836 -37.0718 -37.0715 -36.8886 -36.8886 -16.1401 -16.1378 -14.8382 -14.8381 -2.6568 -2.6522 -2.0102 -2.0100 1.7918 1.7951 2.4735 2.4737 3.2531 3.2571 7.4883 7.5001 10.7067 10.7135 16.0274 16.0441 17.5604 17.5616 18.5671 18.5671 k = 0.1706 0.2995-0.0000 ( 1613 PWs) bands (ev): -72.8816 -72.8816 -43.2844 -43.2843 -37.0722 -37.0719 -36.8890 -36.8890 -16.1257 -16.1234 -14.8401 -14.8401 -2.6721 -2.6675 -2.0045 -2.0042 1.7573 1.7606 2.4686 2.4688 3.2432 3.2472 7.4716 7.4834 10.8054 10.8121 15.9897 16.0076 17.5310 17.5311 18.5468 18.5469 k = 0.1756 0.3083-0.0000 ( 1617 PWs) bands (ev): -72.8815 -72.8815 -43.2850 -43.2849 -37.0726 -37.0723 -36.8894 -36.8894 -16.1113 -16.1090 -14.8421 -14.8420 -2.6870 -2.6823 -1.9984 -1.9982 1.7247 1.7279 2.4639 2.4641 3.2327 3.2368 7.4545 7.4664 10.9042 10.9108 15.9461 15.9652 17.5047 17.5057 18.5273 18.5273 k = 0.1806 0.3171-0.0000 ( 1617 PWs) bands (ev): -72.8815 -72.8814 -43.2855 -43.2854 -37.0730 -37.0726 -36.8896 -36.8896 -16.0969 -16.0946 -14.8441 -14.8440 -2.7009 -2.6962 -1.9926 -1.9924 1.6939 1.6971 2.4593 2.4595 3.2218 3.2258 7.4367 7.4485 11.0029 11.0094 15.8976 15.9178 17.4813 17.4833 18.5081 18.5081 k = 0.1856 0.3259-0.0000 ( 1615 PWs) bands (ev): -72.8814 -72.8814 -43.2861 -43.2860 -37.0732 -37.0729 -36.8899 -36.8899 -16.0826 -16.0804 -14.8462 -14.8461 -2.7140 -2.7093 -1.9869 -1.9867 1.6649 1.6680 2.4549 2.4551 3.2102 3.2142 7.4180 7.4298 11.1015 11.1079 15.8450 15.8661 17.4599 17.4628 18.4894 18.4895 k = 0.1906 0.3347-0.0000 ( 1615 PWs) bands (ev): -72.8813 -72.8813 -43.2867 -43.2866 -37.0735 -37.0732 -36.8901 -36.8901 -16.0685 -16.0662 -14.8482 -14.8480 -2.7260 -2.7213 -1.9813 -1.9811 1.6378 1.6409 2.4505 2.4507 3.1980 3.2021 7.3985 7.4103 11.1997 11.2059 15.7892 15.8112 17.4396 17.4433 18.4711 18.4712 k = 0.1956 0.3435-0.0000 ( 1617 PWs) bands (ev): -72.8812 -72.8812 -43.2873 -43.2872 -37.0738 -37.0735 -36.8904 -36.8903 -16.0545 -16.0522 -14.8504 -14.8502 -2.7373 -2.7327 -1.9762 -1.9760 1.6128 1.6158 2.4462 2.4464 3.1852 3.1892 7.3783 7.3900 11.2974 11.3035 15.7306 15.7533 17.4194 17.4238 18.4534 18.4535 k = 0.2007 0.3523-0.0000 ( 1617 PWs) bands (ev): -72.8812 -72.8812 -43.2879 -43.2878 -37.0741 -37.0738 -36.8906 -36.8906 -16.0407 -16.0385 -14.8526 -14.8524 -2.7480 -2.7434 -1.9712 -1.9710 1.5897 1.5927 2.4423 2.4425 3.1717 3.1758 7.3571 7.3688 11.3944 11.4003 15.6700 15.6935 17.3988 17.4039 18.4369 18.4369 k = 0.2057 0.3611-0.0000 ( 1617 PWs) bands (ev): -72.8811 -72.8811 -43.2885 -43.2884 -37.0743 -37.0740 -36.8908 -36.8908 -16.0271 -16.0249 -14.8548 -14.8545 -2.7576 -2.7530 -1.9663 -1.9661 1.5687 1.5717 2.4384 2.4386 3.1577 3.1617 7.3352 7.3468 11.4905 11.4963 15.6080 15.6321 17.3774 17.3832 18.4209 18.4210 k = 0.2107 0.3700-0.0000 ( 1613 PWs) bands (ev): -72.8810 -72.8810 -43.2891 -43.2890 -37.0745 -37.0742 -36.8909 -36.8909 -16.0138 -16.0116 -14.8570 -14.8567 -2.7662 -2.7616 -1.9616 -1.9614 1.5498 1.5528 2.4348 2.4350 3.1431 3.1471 7.3126 7.3242 11.5856 11.5912 15.5452 15.5698 17.3550 17.3613 18.4060 18.4061 k = 0.2157 0.3788-0.0000 ( 1613 PWs) bands (ev): -72.8810 -72.8810 -43.2897 -43.2896 -37.0748 -37.0744 -36.8911 -36.8911 -16.0007 -15.9986 -14.8592 -14.8589 -2.7738 -2.7693 -1.9573 -1.9571 1.5330 1.5360 2.4313 2.4315 3.1278 3.1319 7.2892 7.3007 11.6796 11.6850 15.4816 15.5068 17.3312 17.3381 18.3920 18.3920 k = 0.2207 0.3876-0.0000 ( 1615 PWs) bands (ev): -72.8809 -72.8809 -43.2904 -43.2903 -37.0750 -37.0746 -36.8912 -36.8912 -15.9880 -15.9858 -14.8614 -14.8611 -2.7803 -2.7758 -1.9532 -1.9530 1.5184 1.5214 2.4280 2.4282 3.1119 3.1161 7.2650 7.2763 11.7721 11.7774 15.4175 15.4432 17.3062 17.3136 18.3790 18.3790 k = 0.2257 0.3964-0.0000 ( 1615 PWs) bands (ev): -72.8809 -72.8809 -43.2910 -43.2909 -37.0752 -37.0748 -36.8914 -36.8914 -15.9756 -15.9735 -14.8636 -14.8632 -2.7858 -2.7813 -1.9494 -1.9493 1.5061 1.5090 2.4249 2.4251 3.0955 3.0997 7.2399 7.2512 11.8632 11.8682 15.3535 15.3797 17.2799 17.2879 18.3671 18.3672 k = 0.2308 0.4052-0.0000 ( 1611 PWs) bands (ev): -72.8808 -72.8808 -43.2916 -43.2915 -37.0753 -37.0750 -36.8915 -36.8915 -15.9636 -15.9615 -14.8657 -14.8653 -2.7900 -2.7855 -1.9459 -1.9458 1.4960 1.4990 2.4220 2.4222 3.0784 3.0827 7.2145 7.2257 11.9525 11.9574 15.2896 15.3161 17.2527 17.2611 18.3565 18.3566 k = 0.2358 0.4140-0.0000 ( 1611 PWs) bands (ev): -72.8808 -72.8808 -43.2922 -43.2921 -37.0755 -37.0751 -36.8916 -36.8916 -15.9520 -15.9500 -14.8678 -14.8674 -2.7932 -2.7888 -1.9428 -1.9426 1.4881 1.4911 2.4194 2.4196 3.0608 3.0650 7.1881 7.1991 12.0400 12.0447 15.2255 15.2524 17.2247 17.2336 18.3472 18.3473 k = 0.2408 0.4228-0.0000 ( 1611 PWs) bands (ev): -72.8807 -72.8807 -43.2929 -43.2928 -37.0756 -37.0753 -36.8917 -36.8917 -15.9408 -15.9389 -14.8699 -14.8694 -2.7953 -2.7910 -1.9399 -1.9397 1.4825 1.4855 2.4169 2.4171 3.0425 3.0468 7.1610 7.1719 12.1254 12.1299 15.1615 15.1887 17.1963 17.2056 18.3393 18.3393 k = 0.2458 0.4316-0.0000 ( 1611 PWs) bands (ev): -72.8806 -72.8806 -43.2935 -43.2934 -37.0758 -37.0754 -36.8918 -36.8918 -15.9301 -15.9282 -14.8718 -14.8713 -2.7962 -2.7919 -1.9376 -1.9375 1.4792 1.4822 2.4146 2.4148 3.0237 3.0281 7.1332 7.1440 12.2086 12.2129 15.0976 15.1250 17.1678 17.1774 18.3327 18.3327 k = 0.2508 0.4404-0.0000 ( 1611 PWs) bands (ev): -72.8806 -72.8806 -43.2941 -43.2940 -37.0759 -37.0755 -36.8919 -36.8919 -15.9198 -15.9180 -14.8737 -14.8731 -2.7959 -2.7917 -1.9354 -1.9352 1.4781 1.4811 2.4125 2.4127 3.0044 3.0088 7.1048 7.1155 12.2894 12.2934 15.0336 15.0613 17.1395 17.1495 18.3276 18.3277 k = 0.2558 0.4492-0.0000 ( 1607 PWs) bands (ev): -72.8806 -72.8806 -43.2948 -43.2947 -37.0759 -37.0756 -36.8919 -36.8919 -15.9101 -15.9084 -14.8755 -14.8748 -2.7945 -2.7903 -1.9334 -1.9332 1.4793 1.4823 2.4107 2.4110 2.9845 2.9890 7.0758 7.0863 12.3676 12.3715 14.9697 14.9976 17.1120 17.1224 18.3243 18.3244 k = 0.2609 0.4580-0.0000 ( 1603 PWs) bands (ev): -72.8805 -72.8805 -43.2955 -43.2954 -37.0760 -37.0756 -36.8919 -36.8919 -15.9009 -15.8992 -14.8772 -14.8765 -2.7918 -2.7877 -1.9318 -1.9316 1.4828 1.4858 2.4092 2.4094 2.9641 2.9687 7.0463 7.0567 12.4431 12.4467 14.9058 14.9337 17.0855 17.0961 18.3226 18.3226 k = 0.2659 0.4668-0.0000 ( 1607 PWs) bands (ev): -72.8805 -72.8805 -43.2962 -43.2960 -37.0761 -37.0758 -36.8920 -36.8919 -15.8922 -15.8906 -14.8788 -14.8780 -2.7881 -2.7841 -1.9306 -1.9304 1.4883 1.4914 2.4077 2.4080 2.9432 2.9478 7.0161 7.0263 12.5157 12.5191 14.8415 14.8696 17.0604 17.0712 18.3223 18.3224 k = 0.2709 0.4757-0.0000 ( 1605 PWs) bands (ev): -72.8804 -72.8804 -43.2968 -43.2967 -37.0761 -37.0758 -36.8920 -36.8919 -15.8840 -15.8825 -14.8802 -14.8794 -2.7830 -2.7790 -1.9297 -1.9295 1.4962 1.4993 2.4065 2.4068 2.9218 2.9266 6.9855 6.9955 12.5853 12.5884 14.7772 14.8053 17.0371 17.0482 18.3239 18.3239 k = 0.2759 0.4845-0.0000 ( 1603 PWs) bands (ev): -72.8804 -72.8804 -43.2974 -43.2973 -37.0761 -37.0758 -36.8919 -36.8919 -15.8765 -15.8750 -14.8816 -14.8807 -2.7766 -2.7727 -1.9291 -1.9289 1.5062 1.5094 2.4055 2.4058 2.9001 2.9049 6.9544 6.9641 12.6517 12.6546 14.7126 14.7406 17.0159 17.0271 18.3271 18.3272 k = 0.2809 0.4933-0.0000 ( 1607 PWs) bands (ev): -72.8804 -72.8804 -43.2982 -43.2981 -37.0761 -37.0758 -36.8919 -36.8919 -15.8695 -15.8681 -14.8828 -14.8818 -2.7692 -2.7654 -1.9288 -1.9287 1.5184 1.5217 2.4047 2.4050 2.8778 2.8827 6.9224 6.9320 12.7147 12.7174 14.6474 14.6753 16.9971 17.0084 18.3321 18.3321 k = 0.2859 0.5021-0.0000 ( 1607 PWs) bands (ev): -72.8803 -72.8803 -43.2989 -43.2988 -37.0761 -37.0757 -36.8919 -36.8919 -15.8630 -15.8618 -14.8839 -14.8829 -2.7606 -2.7569 -1.9289 -1.9287 1.5326 1.5360 2.4041 2.4044 2.8551 2.8602 6.8902 6.8996 12.7744 12.7768 14.5818 14.6095 16.9810 16.9923 18.3389 18.3390 k = 0.2909 0.5109-0.0000 ( 1607 PWs) bands (ev): -72.8803 -72.8803 -43.2996 -43.2995 -37.0760 -37.0757 -36.8918 -36.8918 -15.8572 -15.8560 -14.8848 -14.8838 -2.7508 -2.7471 -1.9292 -1.9291 1.5490 1.5525 2.4037 2.4040 2.8321 2.8373 6.8577 6.8669 12.8306 12.8328 14.5156 14.5431 16.9677 16.9789 18.3476 18.3476 k = 0.2960 0.5197-0.0000 ( 1607 PWs) bands (ev): -72.8803 -72.8803 -43.3003 -43.3002 -37.0759 -37.0756 -36.8918 -36.8917 -15.8519 -15.8508 -14.8856 -14.8845 -2.7398 -2.7363 -1.9299 -1.9297 1.5673 1.5710 2.4034 2.4038 2.8087 2.8141 6.8248 6.8338 12.8833 12.8853 14.4489 14.4761 16.9573 16.9685 18.3581 18.3581 k = 0.3010 0.5285-0.0000 ( 1611 PWs) bands (ev): -72.8803 -72.8803 -43.3011 -43.3010 -37.0759 -37.0755 -36.8917 -36.8917 -15.8471 -15.8461 -14.8863 -14.8851 -2.7278 -2.7243 -1.9308 -1.9306 1.5876 1.5914 2.4033 2.4037 2.7850 2.7905 6.7914 6.8001 12.9324 12.9341 14.3815 14.4083 16.9500 16.9611 18.3704 18.3704 k = 0.3060 0.5373-0.0000 ( 1611 PWs) bands (ev): -72.8803 -72.8803 -43.3018 -43.3017 -37.0758 -37.0754 -36.8916 -36.8916 -15.8430 -15.8421 -14.8868 -14.8856 -2.7147 -2.7113 -1.9320 -1.9318 1.6099 1.6138 2.4034 2.4038 2.7611 2.7668 6.7579 6.7664 12.9779 12.9794 14.3136 14.3400 16.9458 16.9566 18.3845 18.3846 k = 0.3110 0.5461-0.0000 ( 1607 PWs) bands (ev): -72.8803 -72.8803 -43.3024 -43.3023 -37.0756 -37.0753 -36.8915 -36.8915 -15.8394 -15.8385 -14.8871 -14.8858 -2.7003 -2.6970 -1.9334 -1.9333 1.6339 1.6380 2.4036 2.4041 2.7370 2.7429 6.7242 6.7325 13.0199 13.0212 14.2453 14.2712 16.9446 16.9552 18.4006 18.4006 k = 0.3160 0.5549-0.0000 ( 1611 PWs) bands (ev): -72.8803 -72.8803 -43.3031 -43.3030 -37.0755 -37.0752 -36.8914 -36.8914 -15.8363 -15.8355 -14.8873 -14.8861 -2.6853 -2.6821 -1.9352 -1.9351 1.6598 1.6641 2.4039 2.4044 2.7127 2.7187 6.6902 6.6983 13.0582 13.0593 14.1763 14.2016 16.9463 16.9566 18.4183 18.4184 k = 0.3210 0.5637-0.0000 ( 1611 PWs) bands (ev): -72.8803 -72.8802 -43.3037 -43.3036 -37.0754 -37.0751 -36.8913 -36.8913 -15.8337 -15.8331 -14.8874 -14.8861 -2.6692 -2.6661 -1.9372 -1.9370 1.6873 1.6918 2.4044 2.4050 2.6882 2.6944 6.6560 6.6639 13.0930 13.0939 14.1068 14.1315 16.9507 16.9607 18.4380 18.4380 k = 0.3261 0.5726-0.0000 ( 1611 PWs) bands (ev): -72.8802 -72.8802 -43.3044 -43.3043 -37.0752 -37.0749 -36.8911 -36.8911 -15.8317 -15.8311 -14.8874 -14.8861 -2.6521 -2.6491 -1.9394 -1.9392 1.7164 1.7212 2.4049 2.4056 2.6636 2.6700 6.6218 6.6293 13.1243 13.1251 14.0369 14.0610 16.9577 16.9673 18.4594 18.4594 k = 0.3311 0.5814-0.0000 ( 1611 PWs) bands (ev): -72.8802 -72.8802 -43.3050 -43.3049 -37.0750 -37.0747 -36.8910 -36.8909 -15.8301 -15.8296 -14.8872 -14.8859 -2.6341 -2.6312 -1.9416 -1.9415 1.7470 1.7521 2.4055 2.4063 2.6389 2.6456 6.5874 6.5947 13.1523 13.1529 13.9666 13.9900 16.9669 16.9763 18.4824 18.4824 k = 0.3311 0.5814-0.0000 ( 1611 PWs) bands (ev): -72.8802 -72.8802 -43.3050 -43.3049 -37.0750 -37.0747 -36.8910 -36.8909 -15.8301 -15.8296 -14.8872 -14.8859 -2.6341 -2.6312 -1.9416 -1.9415 1.7470 1.7521 2.4055 2.4063 2.6389 2.6456 6.5874 6.5947 13.1523 13.1529 13.9666 13.9900 16.9669 16.9763 18.4824 18.4824 k = 0.3210 0.5814-0.0000 ( 1609 PWs) bands (ev): -72.8802 -72.8802 -43.3047 -43.3046 -37.0751 -37.0748 -36.8910 -36.8910 -15.8310 -15.8304 -14.8873 -14.8860 -2.6430 -2.6400 -1.9405 -1.9404 1.7317 1.7366 2.4053 2.4060 2.6516 2.6582 6.6044 6.6119 13.1385 13.1392 14.0015 14.0252 16.9628 16.9723 18.4710 18.4710 k = 0.3110 0.5814-0.0000 ( 1609 PWs) bands (ev): -72.8802 -72.8802 -43.3043 -43.3042 -37.0752 -37.0749 -36.8911 -36.8911 -15.8323 -15.8317 -14.8873 -14.8860 -2.6517 -2.6487 -1.9395 -1.9394 1.7164 1.7212 2.4051 2.4058 2.6653 2.6718 6.6218 6.6293 13.1234 13.1242 14.0364 14.0603 16.9606 16.9702 18.4598 18.4599 k = 0.3010 0.5814-0.0000 ( 1609 PWs) bands (ev): -72.8802 -72.8802 -43.3040 -43.3039 -37.0752 -37.0749 -36.8912 -36.8911 -15.8339 -15.8333 -14.8873 -14.8860 -2.6602 -2.6571 -1.9386 -1.9384 1.7012 1.7058 2.4051 2.4057 2.6800 2.6863 6.6394 6.6471 13.1075 13.1084 14.0706 14.0947 16.9603 16.9701 18.4492 18.4492 k = 0.2909 0.5814-0.0000 ( 1609 PWs) bands (ev): -72.8802 -72.8802 -43.3036 -43.3035 -37.0753 -37.0750 -36.8912 -36.8912 -15.8359 -15.8353 -14.8873 -14.8860 -2.6684 -2.6654 -1.9378 -1.9376 1.6860 1.6905 2.4051 2.4057 2.6957 2.7019 6.6573 6.6650 13.0913 13.0922 14.1038 14.1280 16.9621 16.9720 18.4389 18.4389 k = 0.2809 0.5814-0.0000 ( 1610 PWs) bands (ev): -72.8803 -72.8803 -43.3032 -43.3031 -37.0754 -37.0751 -36.8913 -36.8913 -15.8382 -15.8376 -14.8872 -14.8860 -2.6764 -2.6734 -1.9371 -1.9369 1.6711 1.6753 2.4052 2.4057 2.7122 2.7182 6.6753 6.6831 13.0750 13.0760 14.1355 14.1598 16.9661 16.9759 18.4290 18.4290 k = 0.2709 0.5814-0.0000 ( 1606 PWs) bands (ev): -72.8803 -72.8803 -43.3027 -43.3026 -37.0754 -37.0751 -36.8913 -36.8913 -15.8408 -15.8401 -14.8871 -14.8859 -2.6842 -2.6812 -1.9364 -1.9363 1.6563 1.6604 2.4054 2.4059 2.7295 2.7353 6.6937 6.7014 13.0589 13.0600 14.1656 14.1898 16.9721 16.9819 18.4196 18.4197 k = 0.2609 0.5814-0.0000 ( 1605 PWs) bands (ev): -72.8803 -72.8803 -43.3022 -43.3021 -37.0754 -37.0752 -36.8913 -36.8913 -15.8436 -15.8429 -14.8870 -14.8858 -2.6917 -2.6887 -1.9359 -1.9358 1.6418 1.6456 2.4057 2.4061 2.7474 2.7530 6.7119 6.7196 13.0431 13.0442 14.1936 14.2177 16.9803 16.9900 18.4106 18.4106 k = 0.2508 0.5814-0.0000 ( 1604 PWs) bands (ev): -72.8803 -72.8803 -43.3017 -43.3016 -37.0755 -37.0752 -36.8914 -36.8914 -15.8467 -15.8459 -14.8869 -14.8857 -2.6990 -2.6960 -1.9355 -1.9354 1.6274 1.6311 2.4060 2.4064 2.7658 2.7712 6.7302 6.7379 13.0279 13.0290 14.2194 14.2434 16.9905 17.0002 18.4020 18.4021 k = 0.2408 0.5814-0.0000 ( 1604 PWs) bands (ev): -72.8803 -72.8803 -43.3013 -43.3012 -37.0755 -37.0752 -36.8914 -36.8914 -15.8499 -15.8492 -14.8868 -14.8856 -2.7060 -2.7030 -1.9352 -1.9351 1.6134 1.6169 2.4064 2.4068 2.7846 2.7898 6.7482 6.7559 13.0131 13.0142 14.2431 14.2668 17.0028 17.0123 18.3939 18.3939 k = 0.2308 0.5814-0.0000 ( 1606 PWs) bands (ev): -72.8803 -72.8803 -43.3009 -43.3008 -37.0756 -37.0753 -36.8915 -36.8915 -15.8532 -15.8525 -14.8867 -14.8856 -2.7127 -2.7098 -1.9350 -1.9349 1.5997 1.6031 2.4069 2.4072 2.8038 2.8088 6.7659 6.7735 12.9989 13.0000 14.2643 14.2878 17.0170 17.0262 18.3860 18.3861 k = 0.2207 0.5814-0.0000 ( 1606 PWs) bands (ev): -72.8804 -72.8804 -43.3005 -43.3004 -37.0756 -37.0753 -36.8915 -36.8915 -15.8567 -15.8560 -14.8866 -14.8855 -2.7192 -2.7163 -1.9348 -1.9347 1.5864 1.5896 2.4074 2.4077 2.8231 2.8279 6.7836 6.7911 12.9853 12.9864 14.2834 14.3065 17.0330 17.0420 18.3787 18.3787 k = 0.2107 0.5814-0.0000 ( 1602 PWs) bands (ev): -72.8803 -72.8803 -43.3000 -43.2999 -37.0756 -37.0753 -36.8915 -36.8915 -15.8602 -15.8595 -14.8865 -14.8854 -2.7254 -2.7226 -1.9345 -1.9344 1.5734 1.5764 2.4079 2.4082 2.8426 2.8473 6.8011 6.8085 12.9725 12.9736 14.3004 14.3230 17.0506 17.0593 18.3718 18.3718 k = 0.2007 0.5814-0.0000 ( 1606 PWs) bands (ev): -72.8804 -72.8804 -43.2996 -43.2995 -37.0756 -37.0754 -36.8916 -36.8915 -15.8638 -15.8631 -14.8865 -14.8855 -2.7314 -2.7286 -1.9346 -1.9345 1.5609 1.5637 2.4085 2.4088 2.8621 2.8665 6.8180 6.8251 12.9602 12.9612 14.3150 14.3371 17.0698 17.0781 18.3652 18.3652 k = 0.1906 0.5814-0.0000 ( 1600 PWs) bands (ev): -72.8803 -72.8803 -43.2990 -43.2989 -37.0756 -37.0754 -36.8915 -36.8915 -15.8674 -15.8667 -14.8864 -14.8854 -2.7370 -2.7343 -1.9344 -1.9343 1.5488 1.5515 2.4092 2.4094 2.8815 2.8857 6.8348 6.8418 12.9488 12.9497 14.3278 14.3492 17.0902 17.0982 18.3592 18.3592 k = 0.1806 0.5814-0.0000 ( 1597 PWs) bands (ev): -72.8804 -72.8804 -43.2986 -43.2985 -37.0756 -37.0753 -36.8915 -36.8915 -15.8710 -15.8704 -14.8864 -14.8854 -2.7422 -2.7396 -1.9344 -1.9343 1.5372 1.5397 2.4098 2.4100 2.9007 2.9047 6.8510 6.8579 12.9380 12.9389 14.3386 14.3593 17.1117 17.1193 18.3534 18.3534 k = 0.1706 0.5814-0.0000 ( 1597 PWs) bands (ev): -72.8804 -72.8804 -43.2981 -43.2980 -37.0756 -37.0754 -36.8915 -36.8915 -15.8746 -15.8739 -14.8864 -14.8855 -2.7472 -2.7448 -1.9345 -1.9344 1.5261 1.5284 2.4104 2.4106 2.9195 2.9233 6.8668 6.8734 12.9279 12.9287 14.3476 14.3675 17.1341 17.1413 18.3480 18.3480 k = 0.1605 0.5814-0.0000 ( 1599 PWs) bands (ev): -72.8805 -72.8804 -43.2978 -43.2977 -37.0756 -37.0754 -36.8916 -36.8916 -15.8781 -15.8775 -14.8864 -14.8855 -2.7520 -2.7496 -1.9347 -1.9346 1.5155 1.5177 2.4110 2.4112 2.9379 2.9415 6.8819 6.8883 12.9184 12.9192 14.3548 14.3739 17.1572 17.1638 18.3428 18.3429 k = 0.1505 0.5814-0.0000 ( 1601 PWs) bands (ev): -72.8805 -72.8805 -43.2974 -43.2973 -37.0756 -37.0754 -36.8916 -36.8916 -15.8816 -15.8809 -14.8864 -14.8856 -2.7565 -2.7542 -1.9348 -1.9347 1.5054 1.5075 2.4116 2.4118 2.9558 2.9592 6.8964 6.9025 12.9096 12.9103 14.3606 14.3788 17.1805 17.1867 18.3380 18.3380 k = 0.1405 0.5814-0.0000 ( 1601 PWs) bands (ev): -72.8805 -72.8805 -43.2970 -43.2969 -37.0756 -37.0754 -36.8916 -36.8916 -15.8849 -15.8843 -14.8864 -14.8857 -2.7607 -2.7585 -1.9350 -1.9349 1.4959 1.4978 2.4122 2.4124 2.9731 2.9763 6.9103 6.9160 12.9016 12.9022 14.3650 14.3823 17.2040 17.2097 18.3336 18.3337 k = 0.1304 0.5814-0.0000 ( 1603 PWs) bands (ev): -72.8805 -72.8805 -43.2966 -43.2965 -37.0756 -37.0755 -36.8916 -36.8916 -15.8880 -15.8875 -14.8865 -14.8858 -2.7646 -2.7626 -1.9352 -1.9351 1.4869 1.4887 2.4128 2.4129 2.9897 2.9926 6.9233 6.9288 12.8941 12.8946 14.3683 14.3845 17.2274 17.2326 18.3295 18.3296 k = 0.1204 0.5814-0.0000 ( 1605 PWs) bands (ev): -72.8805 -72.8805 -43.2963 -43.2963 -37.0756 -37.0755 -36.8917 -36.8916 -15.8911 -15.8905 -14.8865 -14.8858 -2.7681 -2.7663 -1.9354 -1.9353 1.4786 1.4802 2.4134 2.4135 3.0055 3.0082 6.9355 6.9406 12.8873 12.8877 14.3705 14.3857 17.2503 17.2550 18.3257 18.3258 k = 0.1104 0.5814-0.0000 ( 1607 PWs) bands (ev): -72.8806 -72.8806 -43.2962 -43.2961 -37.0756 -37.0755 -36.8917 -36.8917 -15.8939 -15.8934 -14.8866 -14.8860 -2.7714 -2.7697 -1.9356 -1.9356 1.4709 1.4724 2.4139 2.4140 3.0203 3.0228 6.9468 6.9516 12.8810 12.8814 14.3719 14.3860 17.2724 17.2767 18.3223 18.3224 k = 0.1003 0.5814-0.0000 ( 1605 PWs) bands (ev): -72.8806 -72.8806 -43.2958 -43.2957 -37.0756 -37.0755 -36.8917 -36.8917 -15.8966 -15.8961 -14.8866 -14.8861 -2.7744 -2.7728 -1.9358 -1.9358 1.4638 1.4651 2.4145 2.4146 3.0342 3.0365 6.9576 6.9621 12.8755 12.8759 14.3727 14.3857 17.2938 17.2976 18.3193 18.3193 k = 0.0903 0.5814-0.0000 ( 1603 PWs) bands (ev): -72.8806 -72.8806 -43.2954 -43.2953 -37.0756 -37.0755 -36.8917 -36.8917 -15.8990 -15.8986 -14.8867 -14.8862 -2.7771 -2.7757 -1.9360 -1.9360 1.4573 1.4585 2.4150 2.4151 3.0471 3.0491 6.9676 6.9716 12.8706 12.8709 14.3730 14.3847 17.3140 17.3174 18.3166 18.3166 k = 0.0803 0.5814-0.0000 ( 1606 PWs) bands (ev): -72.8806 -72.8806 -43.2951 -43.2950 -37.0757 -37.0755 -36.8917 -36.8917 -15.9013 -15.9009 -14.8868 -14.8863 -2.7796 -2.7783 -1.9363 -1.9363 1.4515 1.4526 2.4154 2.4155 3.0588 3.0606 6.9765 6.9801 12.8662 12.8665 14.3729 14.3834 17.3327 17.3357 18.3140 18.3141 k = 0.0702 0.5814-0.0000 ( 1606 PWs) bands (ev): -72.8806 -72.8806 -43.2949 -43.2948 -37.0757 -37.0755 -36.8917 -36.8917 -15.9033 -15.9029 -14.8868 -14.8864 -2.7818 -2.7806 -1.9365 -1.9365 1.4464 1.4473 2.4158 2.4159 3.0693 3.0709 6.9845 6.9877 12.8624 12.8626 14.3725 14.3818 17.3498 17.3524 18.3119 18.3119 k = 0.0602 0.5814-0.0000 ( 1608 PWs) bands (ev): -72.8806 -72.8806 -43.2947 -43.2946 -37.0757 -37.0756 -36.8918 -36.8917 -15.9050 -15.9047 -14.8868 -14.8865 -2.7836 -2.7826 -1.9367 -1.9367 1.4420 1.4427 2.4161 2.4162 3.0786 3.0799 6.9914 6.9941 12.8591 12.8593 14.3720 14.3800 17.3652 17.3673 18.3100 18.3100 k = 0.0502 0.5814-0.0000 ( 1610 PWs) bands (ev): -72.8807 -72.8807 -43.2945 -43.2945 -37.0757 -37.0756 -36.8918 -36.8918 -15.9065 -15.9063 -14.8869 -14.8867 -2.7852 -2.7843 -1.9369 -1.9368 1.4382 1.4388 2.4164 2.4165 3.0864 3.0876 6.9973 6.9996 12.8563 12.8564 14.3715 14.3782 17.3784 17.3802 18.3084 18.3084 k = 0.0401 0.5814-0.0000 ( 1607 PWs) bands (ev): -72.8806 -72.8806 -43.2942 -43.2942 -37.0757 -37.0756 -36.8918 -36.8918 -15.9077 -15.9076 -14.8869 -14.8867 -2.7864 -2.7857 -1.9370 -1.9369 1.4351 1.4356 2.4167 2.4167 3.0931 3.0940 7.0025 7.0043 12.8542 12.8542 14.3711 14.3765 17.3896 17.3910 18.3071 18.3071 k = 0.0301 0.5814-0.0000 ( 1609 PWs) bands (ev): -72.8806 -72.8806 -43.2942 -43.2941 -37.0757 -37.0756 -36.8918 -36.8918 -15.9087 -15.9086 -14.8869 -14.8868 -2.7874 -2.7869 -1.9371 -1.9371 1.4327 1.4331 2.4169 2.4169 3.0982 3.0989 7.0062 7.0076 12.8523 12.8524 14.3708 14.3749 17.3985 17.3995 18.3061 18.3061 k = 0.0201 0.5814-0.0000 ( 1613 PWs) bands (ev): -72.8806 -72.8806 -43.2941 -43.2941 -37.0757 -37.0757 -36.8918 -36.8918 -15.9094 -15.9093 -14.8870 -14.8868 -2.7881 -2.7878 -1.9372 -1.9371 1.4310 1.4313 2.4170 2.4170 3.1020 3.1024 7.0091 7.0100 12.8511 12.8511 14.3708 14.3735 17.4049 17.4056 18.3052 18.3053 k = 0.0100 0.5814-0.0000 ( 1614 PWs) bands (ev): -72.8807 -72.8807 -43.2942 -43.2941 -37.0757 -37.0757 -36.8918 -36.8918 -15.9098 -15.9098 -14.8870 -14.8869 -2.7885 -2.7883 -1.9372 -1.9372 1.4300 1.4301 2.4171 2.4171 3.1043 3.1045 7.0108 7.0113 12.8503 12.8503 14.3711 14.3724 17.4088 17.4092 18.3048 18.3048 k = 0.0000 0.5814-0.0000 ( 1614 PWs) bands (ev): -72.8807 -72.8807 -43.2941 -43.2941 -37.0757 -37.0757 -36.8918 -36.8918 -15.9099 -15.9099 -14.8870 -14.8870 -2.7885 -2.7885 -1.9372 -1.9372 1.4297 1.4297 2.4171 2.4171 3.1051 3.1051 7.0116 7.0116 12.8500 12.8500 14.3716 14.3716 17.4103 17.4103 18.3047 18.3047 k = 0.0000 0.5814-0.0000 ( 1614 PWs) bands (ev): -72.8807 -72.8807 -43.2941 -43.2941 -37.0757 -37.0757 -36.8918 -36.8918 -15.9099 -15.9099 -14.8870 -14.8870 -2.7885 -2.7885 -1.9372 -1.9372 1.4297 1.4297 2.4171 2.4171 3.1051 3.1051 7.0116 7.0116 12.8500 12.8500 14.3716 14.3716 17.4103 17.4103 18.3047 18.3047 k = 0.0000 0.5814 0.0100 ( 1614 PWs) bands (ev): -72.8807 -72.8807 -43.2941 -43.2941 -37.0757 -37.0757 -36.8918 -36.8918 -15.9098 -15.9098 -14.8870 -14.8870 -2.7890 -2.7884 -1.9381 -1.9372 1.4300 1.4306 2.4159 2.4170 3.1047 3.1060 7.0118 7.0121 12.8504 12.8506 14.3728 14.3731 17.4116 17.4119 18.2982 18.2989 k = 0.0000 0.5814 0.0199 ( 1610 PWs) bands (ev): -72.8807 -72.8807 -43.2941 -43.2941 -37.0757 -37.0757 -36.8918 -36.8918 -15.9094 -15.9094 -14.8872 -14.8872 -2.7899 -2.7885 -1.9398 -1.9379 1.4315 1.4327 2.4135 2.4157 3.1047 3.1072 7.0128 7.0134 12.8519 12.8522 14.3768 14.3775 17.4161 17.4167 18.2798 18.2812 k = 0.0000 0.5814 0.0299 ( 1608 PWs) bands (ev): -72.8807 -72.8807 -43.2941 -43.2941 -37.0757 -37.0757 -36.8918 -36.8918 -15.9088 -15.9088 -14.8874 -14.8874 -2.7910 -2.7890 -1.9425 -1.9396 1.4341 1.4359 2.4097 2.4130 3.1052 3.1089 7.0145 7.0154 12.8543 12.8548 14.3835 14.3846 17.4234 17.4244 18.2496 18.2517 k = 0.0000 0.5814 0.0399 ( 1608 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0757 -37.0757 -36.8918 -36.8918 -15.9080 -15.9080 -14.8878 -14.8878 -2.7925 -2.7898 -1.9460 -1.9422 1.4379 1.4403 2.4048 2.4091 3.1061 3.1109 7.0168 7.0181 12.8576 12.8584 14.3929 14.3944 17.4337 17.4350 18.2084 18.2111 k = 0.0000 0.5814 0.0499 ( 1606 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0757 -37.0757 -36.8918 -36.8918 -15.9069 -15.9069 -14.8883 -14.8883 -2.7942 -2.7908 -1.9503 -1.9456 1.4428 1.4458 2.3987 2.4040 3.1073 3.1133 7.0199 7.0215 12.8620 12.8629 14.4052 14.4069 17.4470 17.4486 18.1572 18.1605 k = 0.0000 0.5814 0.0598 ( 1606 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0757 -37.0757 -36.8918 -36.8918 -15.9056 -15.9056 -14.8889 -14.8889 -2.7962 -2.7922 -1.9555 -1.9499 1.4488 1.4524 2.3915 2.3977 3.1089 3.1159 7.0236 7.0255 12.8672 12.8684 14.4201 14.4222 17.4631 17.4651 18.0969 18.1007 k = 0.0000 0.5814 0.0698 ( 1606 PWs) bands (ev): -72.8806 -72.8806 -43.2941 -43.2940 -37.0757 -37.0757 -36.8919 -36.8919 -15.9041 -15.9040 -14.8897 -14.8896 -2.7984 -2.7938 -1.9615 -1.9550 1.4559 1.4601 2.3833 2.3904 3.1108 3.1187 7.0280 7.0301 12.8734 12.8747 14.4378 14.4402 17.4820 17.4844 18.0286 18.0329 k = 0.0000 0.5814 0.0798 ( 1606 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0757 -37.0757 -36.8919 -36.8919 -15.9023 -15.9023 -14.8905 -14.8905 -2.8010 -2.7958 -1.9682 -1.9608 1.4640 1.4687 2.3743 2.3821 3.1128 3.1216 7.0329 7.0353 12.8805 12.8820 14.4581 14.4609 17.5035 17.5063 17.9536 17.9584 k = 0.0000 0.5814 0.0898 ( 1606 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0758 -37.0757 -36.8919 -36.8919 -15.9004 -15.9003 -14.8914 -14.8914 -2.8038 -2.7980 -1.9757 -1.9675 1.4731 1.4784 2.3645 2.3730 3.1151 3.1246 7.0384 7.0411 12.8885 12.8901 14.4811 14.4842 17.5274 17.5307 17.8731 17.8783 k = 0.0000 0.5814 0.0997 ( 1608 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0758 -37.0758 -36.8920 -36.8920 -15.8982 -15.8981 -14.8925 -14.8924 -2.8068 -2.8005 -1.9839 -1.9749 1.4831 1.4890 2.3539 2.3631 3.1175 3.1277 7.0444 7.0473 12.8972 12.8991 14.5067 14.5101 17.5527 17.5569 17.7888 17.7944 k = 0.0000 0.5814 0.1097 ( 1608 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0758 -37.0758 -36.8921 -36.8920 -15.8958 -15.8958 -14.8936 -14.8935 -2.8100 -2.8031 -1.9927 -1.9830 1.4940 1.5004 2.3428 2.3525 3.1199 3.1307 7.0508 7.0540 12.9068 12.9088 14.5349 14.5386 17.5762 17.5823 17.7043 17.7107 k = 0.0000 0.5814 0.1197 ( 1608 PWs) bands (ev): -72.8806 -72.8806 -43.2941 -43.2940 -37.0759 -37.0759 -36.8921 -36.8921 -15.8933 -15.8932 -14.8948 -14.8948 -2.8134 -2.8060 -2.0022 -1.9918 1.5058 1.5127 2.3313 2.3415 3.1223 3.1337 7.0577 7.0610 12.9172 12.9193 14.5656 14.5696 17.5705 17.5786 17.6494 17.6549 k = 0.0000 0.5814 0.1297 ( 1608 PWs) bands (ev): -72.8807 -72.8807 -43.2940 -43.2940 -37.0759 -37.0759 -36.8922 -36.8922 -15.8906 -15.8905 -14.8961 -14.8961 -2.8169 -2.8090 -2.0123 -2.0013 1.5184 1.5257 2.3193 2.3299 3.1248 3.1365 7.0650 7.0686 12.9283 12.9305 14.5988 14.6030 17.4954 17.5018 17.6673 17.6688 k = 0.0000 0.5814 0.1396 ( 1608 PWs) bands (ev): -72.8807 -72.8807 -43.2940 -43.2940 -37.0760 -37.0760 -36.8923 -36.8922 -15.8877 -15.8876 -14.8975 -14.8975 -2.8206 -2.8122 -2.0228 -2.0112 1.5316 1.5395 2.3071 2.3181 3.1271 3.1392 7.0726 7.0763 12.9401 12.9424 14.6344 14.6388 17.4027 17.4088 17.7007 17.7027 k = 0.0000 0.5814 0.1496 ( 1610 PWs) bands (ev): -72.8807 -72.8807 -43.2941 -43.2941 -37.0760 -37.0760 -36.8923 -36.8923 -15.8846 -15.8845 -14.8990 -14.8989 -2.8243 -2.8155 -2.0339 -2.0218 1.5454 1.5538 2.2946 2.3059 3.1293 3.1417 7.0802 7.0841 12.9524 12.9549 14.6722 14.6769 17.3065 17.3127 17.7384 17.7410 k = 0.0000 0.5814 0.1596 ( 1610 PWs) bands (ev): -72.8807 -72.8807 -43.2940 -43.2940 -37.0761 -37.0760 -36.8924 -36.8924 -15.8814 -15.8813 -14.9006 -14.9005 -2.8282 -2.8190 -2.0454 -2.0328 1.5598 1.5687 2.2821 2.2936 3.1314 3.1440 7.0882 7.0922 12.9654 12.9680 14.7123 14.7171 17.2094 17.2157 17.7789 17.7820 k = 0.0000 0.5814 0.1696 ( 1604 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0761 -37.0760 -36.8924 -36.8924 -15.8781 -15.8780 -14.9021 -14.9020 -2.8320 -2.8225 -2.0570 -2.0439 1.5747 1.5840 2.2696 2.2812 3.1333 3.1460 7.0964 7.1005 12.9790 12.9817 14.7544 14.7594 17.1125 17.1188 17.8216 17.8251 k = 0.0000 0.5814 0.1795 ( 1604 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0761 -37.0761 -36.8925 -36.8924 -15.8747 -15.8746 -14.9038 -14.9037 -2.8360 -2.8262 -2.0691 -2.0557 1.5901 1.5998 2.2570 2.2688 3.1351 3.1478 7.1046 7.1088 12.9931 12.9958 14.7984 14.8037 17.0161 17.0224 17.8659 17.8697 k = 0.0000 0.5814 0.1895 ( 1604 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0762 -37.0761 -36.8925 -36.8925 -15.8712 -15.8711 -14.9055 -14.9054 -2.8399 -2.8298 -2.0815 -2.0678 1.6057 1.6159 2.2445 2.2565 3.1366 3.1494 7.1128 7.1171 13.0076 13.0104 14.8443 14.8496 16.9210 16.9272 17.9115 17.9157 k = 0.0000 0.5814 0.1995 ( 1602 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0762 -37.0762 -36.8926 -36.8925 -15.8676 -15.8675 -14.9073 -14.9072 -2.8439 -2.8335 -2.0940 -2.0800 1.6217 1.6323 2.2322 2.2443 3.1380 3.1506 7.1210 7.1254 13.0225 13.0254 14.8916 14.8971 16.8276 16.8338 17.9583 17.9627 k = 0.0000 0.5814 0.2095 ( 1602 PWs) bands (ev): -72.8806 -72.8806 -43.2939 -43.2939 -37.0762 -37.0762 -36.8927 -36.8926 -15.8639 -15.8638 -14.9091 -14.9091 -2.8478 -2.8373 -2.1068 -2.0926 1.6378 1.6488 2.2201 2.2322 3.1391 3.1517 7.1293 7.1337 13.0379 13.0408 14.9402 14.9458 16.7363 16.7424 18.0057 18.0104 k = 0.0000 0.5814 0.2194 ( 1602 PWs) bands (ev): -72.8806 -72.8806 -43.2939 -43.2939 -37.0763 -37.0763 -36.8927 -36.8927 -15.8602 -15.8601 -14.9110 -14.9109 -2.8516 -2.8409 -2.1197 -2.1054 1.6541 1.6655 2.2082 2.2203 3.1400 3.1524 7.1374 7.1418 13.0534 13.0564 14.9899 14.9955 16.6478 16.6538 18.0536 18.0586 k = 0.0000 0.5814 0.2294 ( 1600 PWs) bands (ev): -72.8805 -72.8805 -43.2939 -43.2939 -37.0763 -37.0763 -36.8928 -36.8928 -15.8565 -15.8563 -14.9128 -14.9127 -2.8553 -2.8446 -2.1326 -2.1183 1.6705 1.6822 2.1966 2.2088 3.1408 3.1529 7.1453 7.1497 13.0694 13.0724 15.0401 15.0457 16.5624 16.5683 18.1016 18.1067 k = 0.0000 0.5814 0.2394 ( 1600 PWs) bands (ev): -72.8805 -72.8805 -43.2939 -43.2939 -37.0764 -37.0764 -36.8929 -36.8928 -15.8527 -15.8526 -14.9147 -14.9147 -2.8590 -2.8481 -2.1455 -2.1311 1.6868 1.6989 2.1853 2.1975 3.1413 3.1532 7.1531 7.1574 13.0854 13.0885 15.0905 15.0961 16.4808 16.4865 18.1491 18.1545 k = 0.0000 0.5814 0.2494 ( 1600 PWs) bands (ev): -72.8805 -72.8805 -43.2939 -43.2939 -37.0764 -37.0764 -36.8929 -36.8929 -15.8490 -15.8489 -14.9166 -14.9166 -2.8624 -2.8516 -2.1583 -2.1440 1.7030 1.7154 2.1743 2.1866 3.1417 3.1532 7.1605 7.1647 13.1016 13.1046 15.1404 15.1460 16.4036 16.4091 18.1958 18.2013 k = 0.0000 0.5814 0.2593 ( 1600 PWs) bands (ev): -72.8805 -72.8805 -43.2939 -43.2939 -37.0765 -37.0765 -36.8930 -36.8930 -15.8452 -15.8451 -14.9185 -14.9185 -2.8658 -2.8550 -2.1710 -2.1568 1.7191 1.7318 2.1637 2.1760 3.1419 3.1531 7.1677 7.1720 13.1178 13.1209 15.1890 15.1946 16.3316 16.3368 18.2410 18.2468 k = 0.0000 0.5814 0.2693 ( 1602 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0765 -37.0765 -36.8931 -36.8930 -15.8416 -15.8415 -14.9204 -14.9204 -2.8689 -2.8582 -2.1835 -2.1695 1.7350 1.7480 2.1535 2.1658 3.1419 3.1527 7.1746 7.1787 13.1341 13.1371 15.2355 15.2410 16.2657 16.2706 18.2844 18.2903 k = 0.0000 0.5814 0.2793 ( 1604 PWs) bands (ev): -72.8805 -72.8805 -43.2939 -43.2939 -37.0766 -37.0766 -36.8932 -36.8931 -15.8380 -15.8379 -14.9223 -14.9222 -2.8719 -2.8614 -2.1957 -2.1820 1.7506 1.7639 2.1436 2.1559 3.1418 3.1522 7.1813 7.1854 13.1504 13.1533 15.2784 15.2837 16.2072 16.2117 18.3253 18.3313 k = 0.0000 0.5814 0.2893 ( 1604 PWs) bands (ev): -72.8805 -72.8805 -43.2939 -43.2939 -37.0766 -37.0766 -36.8932 -36.8932 -15.8344 -15.8343 -14.9241 -14.9241 -2.8747 -2.8644 -2.2076 -2.1942 1.7658 1.7794 2.1342 2.1465 3.1416 3.1516 7.1878 7.1916 13.1665 13.1694 15.3163 15.3215 16.1575 16.1617 18.3632 18.3692 k = 0.0000 0.5814 0.2992 ( 1606 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0767 -37.0767 -36.8933 -36.8933 -15.8310 -15.8309 -14.9260 -14.9259 -2.8773 -2.8673 -2.2191 -2.2062 1.7807 1.7944 2.1251 2.1375 3.1413 3.1508 7.1937 7.1974 13.1824 13.1852 15.3474 15.3524 16.1182 16.1222 18.3974 18.4034 k = 0.0000 0.5814 0.3092 ( 1608 PWs) bands (ev): -72.8806 -72.8806 -43.2941 -43.2941 -37.0768 -37.0767 -36.8934 -36.8934 -15.8277 -15.8276 -14.9277 -14.9277 -2.8796 -2.8699 -2.2304 -2.2179 1.7952 1.8090 2.1164 2.1288 3.1409 3.1499 7.1993 7.2028 13.1980 13.2007 15.3699 15.3747 16.0911 16.0948 18.4274 18.4334 k = 0.0000 0.5814 0.3192 ( 1606 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0768 -37.0768 -36.8934 -36.8934 -15.8245 -15.8244 -14.9294 -14.9294 -2.8818 -2.8724 -2.2409 -2.2290 1.8092 1.8231 2.1082 2.1206 3.1405 3.1489 7.2047 7.2081 13.2133 13.2160 15.3824 15.3870 16.0771 16.0807 18.4527 18.4587 k = 0.0000 0.5814 0.3292 ( 1606 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0768 -37.0768 -36.8935 -36.8935 -15.8215 -15.8214 -14.9310 -14.9310 -2.8837 -2.8748 -2.2509 -2.2396 1.8226 1.8365 2.1004 2.1127 3.1401 3.1479 7.2097 7.2129 13.2281 13.2307 15.3847 15.3892 16.0761 16.0797 18.4729 18.4788 k = 0.0000 0.5814 0.3391 ( 1602 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0768 -37.0768 -36.8935 -36.8935 -15.8186 -15.8185 -14.9325 -14.9325 -2.8853 -2.8769 -2.2601 -2.2494 1.8354 1.8494 2.0930 2.1053 3.1396 3.1469 7.2145 7.2174 13.2425 13.2449 15.3780 15.3823 16.0870 16.0906 18.4880 18.4936 k = 0.0000 0.5814 0.3491 ( 1598 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0768 -37.0768 -36.8935 -36.8935 -15.8159 -15.8159 -14.9339 -14.9339 -2.8868 -2.8789 -2.2687 -2.2587 1.8477 1.8614 2.0861 2.0982 3.1392 3.1459 7.2187 7.2215 13.2561 13.2583 15.3642 15.3683 16.1073 16.1110 18.4977 18.5031 k = 0.0000 0.5814 0.3591 ( 1598 PWs) bands (ev): -72.8806 -72.8806 -43.2940 -43.2940 -37.0768 -37.0768 -36.8935 -36.8935 -15.8135 -15.8134 -14.9352 -14.9352 -2.8881 -2.8808 -2.2766 -2.2675 1.8592 1.8727 2.0796 2.0915 3.1388 3.1448 7.2226 7.2251 13.2689 13.2710 15.3456 15.3494 16.1343 16.1379 18.5024 18.5074 k = 0.0000 0.5814 0.3691 ( 1596 PWs) bands (ev): -72.8805 -72.8805 -43.2939 -43.2939 -37.0768 -37.0768 -36.8935 -36.8935 -15.8112 -15.8111 -14.9364 -14.9364 -2.8890 -2.8824 -2.2839 -2.2755 1.8700 1.8830 2.0735 2.0851 3.1384 3.1438 7.2260 7.2283 13.2808 13.2827 15.3245 15.3281 16.1652 16.1687 18.5026 18.5072 k = 0.0000 0.5814 0.3790 ( 1596 PWs) bands (ev): -72.8805 -72.8805 -43.2939 -43.2939 -37.0769 -37.0769 -36.8936 -36.8936 -15.8092 -15.8091 -14.9375 -14.9375 -2.8899 -2.8840 -2.2903 -2.2829 1.8801 1.8924 2.0681 2.0791 3.1381 3.1429 7.2291 7.2311 13.2917 13.2934 15.3028 15.3060 16.1978 16.2010 18.4990 18.5032 k = 0.0000 0.5814 0.3890 ( 1594 PWs) bands (ev): -72.8805 -72.8805 -43.2938 -43.2938 -37.0769 -37.0769 -36.8936 -36.8936 -15.8074 -15.8074 -14.9385 -14.9384 -2.8906 -2.8854 -2.2958 -2.2894 1.8893 1.9007 2.0633 2.0735 3.1378 3.1420 7.2318 7.2336 13.3014 13.3030 15.2819 15.2847 16.2300 16.2329 18.4927 18.4964 k = 0.0000 0.5814 0.3990 ( 1596 PWs) bands (ev): -72.8805 -72.8805 -43.2938 -43.2938 -37.0769 -37.0769 -36.8936 -36.8936 -15.8059 -15.8058 -14.9393 -14.9393 -2.8910 -2.8867 -2.3006 -2.2951 1.8975 1.9078 2.0591 2.0684 3.1376 3.1411 7.2341 7.2355 13.3098 13.3111 15.2628 15.2652 16.2601 16.2627 18.4846 18.4878 k = 0.0000 0.5814 0.4089 ( 1596 PWs) bands (ev): -72.8805 -72.8805 -43.2938 -43.2938 -37.0769 -37.0769 -36.8937 -36.8937 -15.8046 -15.8046 -14.9400 -14.9400 -2.8914 -2.8879 -2.3043 -2.2999 1.9048 1.9136 2.0558 2.0637 3.1375 3.1403 7.2359 7.2371 13.3169 13.3179 15.2464 15.2483 16.2869 16.2890 18.4762 18.4787 k = 0.0000 0.5814 0.4189 ( 1596 PWs) bands (ev): -72.8804 -72.8804 -43.2937 -43.2937 -37.0770 -37.0770 -36.8937 -36.8937 -15.8036 -15.8036 -14.9406 -14.9405 -2.8915 -2.8889 -2.3072 -2.3038 1.9110 1.9180 2.0533 2.0597 3.1375 3.1396 7.2375 7.2384 13.3226 13.3234 15.2331 15.2345 16.3090 16.3106 18.4682 18.4702 k = 0.0000 0.5814 0.4289 ( 1594 PWs) bands (ev): -72.8804 -72.8804 -43.2936 -43.2936 -37.0770 -37.0770 -36.8937 -36.8937 -15.8029 -15.8029 -14.9409 -14.9409 -2.8915 -2.8897 -2.3090 -2.3067 1.9159 1.9208 2.0518 2.0563 3.1376 3.1390 7.2388 7.2394 13.3268 13.3273 15.2234 15.2244 16.3255 16.3266 18.4619 18.4632 k = 0.0000 0.5814 0.4389 ( 1592 PWs) bands (ev): -72.8804 -72.8804 -43.2936 -43.2936 -37.0769 -37.0769 -36.8937 -36.8937 -15.8025 -15.8025 -14.9412 -14.9412 -2.8912 -2.8903 -2.3098 -2.3087 1.9194 1.9220 2.0514 2.0537 3.1378 3.1385 7.2396 7.2399 13.3294 13.3296 15.2176 15.2181 16.3359 16.3364 18.4579 18.4586 k = 0.0000 0.5814 0.4488 ( 1592 PWs) bands (ev): -72.8805 -72.8805 -43.2937 -43.2937 -37.0769 -37.0769 -36.8936 -36.8936 -15.8023 -15.8023 -14.9413 -14.9413 -2.8908 -2.8908 -2.3096 -2.3096 1.9215 1.9215 2.0521 2.0521 3.1381 3.1381 7.2398 7.2398 13.3302 13.3302 15.2159 15.2159 16.3395 16.3395 18.4568 18.4568 k = 0.0000 0.5814 0.4488 ( 1592 PWs) bands (ev): -72.8805 -72.8805 -43.2937 -43.2937 -37.0769 -37.0769 -36.8936 -36.8936 -15.8023 -15.8023 -14.9413 -14.9413 -2.8908 -2.8908 -2.3096 -2.3096 1.9215 1.9215 2.0521 2.0521 3.1381 3.1381 7.2398 7.2398 13.3302 13.3302 15.2159 15.2159 16.3395 16.3395 18.4568 18.4568 k = 0.0100 0.5814 0.4488 ( 1590 PWs) bands (ev): -72.8804 -72.8804 -43.2936 -43.2936 -37.0769 -37.0769 -36.8936 -36.8936 -15.8023 -15.8023 -14.9412 -14.9410 -2.8906 -2.8905 -2.3097 -2.3096 1.9210 1.9219 2.0517 2.0518 3.1374 3.1383 7.2394 7.2395 13.3310 13.3314 15.2166 15.2171 16.3388 16.3399 18.4577 18.4581 k = 0.0201 0.5814 0.4488 ( 1590 PWs) bands (ev): -72.8804 -72.8804 -43.2936 -43.2936 -37.0769 -37.0769 -36.8937 -36.8936 -15.8022 -15.8022 -14.9408 -14.9406 -2.8899 -2.8895 -2.3101 -2.3099 1.9204 1.9222 2.0506 2.0509 3.1360 3.1378 7.2380 7.2381 13.3334 13.3342 15.2192 15.2203 16.3378 16.3399 18.4608 18.4616 k = 0.0301 0.5814 0.4488 ( 1590 PWs) bands (ev): -72.8804 -72.8804 -43.2938 -43.2937 -37.0769 -37.0769 -36.8937 -36.8936 -15.8019 -15.8019 -14.9402 -14.9398 -2.8886 -2.8880 -2.3105 -2.3103 1.9198 1.9225 2.0489 2.0493 3.1341 3.1368 7.2355 7.2356 13.3374 13.3387 15.2237 15.2254 16.3364 16.3396 18.4662 18.4673 k = 0.0401 0.5814 0.4488 ( 1586 PWs) bands (ev): -72.8803 -72.8803 -43.2937 -43.2937 -37.0769 -37.0769 -36.8936 -36.8936 -15.8016 -15.8016 -14.9392 -14.9388 -2.8866 -2.8859 -2.3110 -2.3107 1.9191 1.9227 2.0466 2.0471 3.1316 3.1352 7.2323 7.2325 13.3432 13.3449 15.2302 15.2325 16.3346 16.3390 18.4739 18.4753 k = 0.0502 0.5814 0.4488 ( 1590 PWs) bands (ev): -72.8803 -72.8803 -43.2939 -43.2939 -37.0770 -37.0769 -36.8937 -36.8937 -15.8013 -15.8013 -14.9381 -14.9376 -2.8844 -2.8835 -2.3119 -2.3115 1.9183 1.9228 2.0435 2.0442 3.1285 3.1329 7.2280 7.2282 13.3504 13.3525 15.2385 15.2413 16.3325 16.3378 18.4837 18.4855 k = 0.0602 0.5814 0.4488 ( 1592 PWs) bands (ev): -72.8804 -72.8804 -43.2942 -43.2942 -37.0770 -37.0769 -36.8937 -36.8937 -15.8008 -15.8008 -14.9368 -14.9361 -2.8814 -2.8804 -2.3127 -2.3123 1.9175 1.9229 2.0399 2.0407 3.1248 3.1301 7.2225 7.2228 13.3592 13.3618 15.2486 15.2519 16.3299 16.3363 18.4958 18.4979 k = 0.0702 0.5814 0.4488 ( 1596 PWs) bands (ev): -72.8804 -72.8804 -43.2945 -43.2944 -37.0770 -37.0769 -36.8937 -36.8937 -15.8003 -15.8003 -14.9352 -14.9345 -2.8781 -2.8769 -2.3138 -2.3133 1.9166 1.9229 2.0356 2.0365 3.1206 3.1268 7.2164 7.2168 13.3694 13.3724 15.2603 15.2642 16.3268 16.3342 18.5101 18.5126 k = 0.0803 0.5814 0.4488 ( 1598 PWs) bands (ev): -72.8804 -72.8804 -43.2948 -43.2948 -37.0770 -37.0769 -36.8937 -36.8937 -15.7997 -15.7997 -14.9334 -14.9325 -2.8741 -2.8727 -2.3151 -2.3145 1.9157 1.9229 2.0308 2.0318 3.1159 3.1230 7.2093 7.2097 13.3812 13.3846 15.2736 15.2781 16.3232 16.3316 18.5266 18.5295 k = 0.0903 0.5814 0.4488 ( 1600 PWs) bands (ev): -72.8804 -72.8804 -43.2951 -43.2950 -37.0771 -37.0769 -36.8937 -36.8937 -15.7990 -15.7990 -14.9314 -14.9304 -2.8696 -2.8681 -2.3165 -2.3158 1.9148 1.9228 2.0254 2.0265 3.1108 3.1187 7.2015 7.2020 13.3945 13.3984 15.2884 15.2935 16.3191 16.3285 18.5455 18.5487 k = 0.1003 0.5814 0.4488 ( 1602 PWs) bands (ev): -72.8804 -72.8804 -43.2954 -43.2954 -37.0771 -37.0769 -36.8937 -36.8937 -15.7982 -15.7982 -14.9291 -14.9280 -2.8647 -2.8630 -2.3179 -2.3172 1.9138 1.9228 2.0194 2.0206 3.1053 3.1140 7.1929 7.1935 13.4091 13.4134 15.3046 15.3102 16.3144 16.3247 18.5665 18.5701 k = 0.1104 0.5814 0.4488 ( 1602 PWs) bands (ev): -72.8804 -72.8804 -43.2957 -43.2957 -37.0771 -37.0769 -36.8937 -36.8937 -15.7974 -15.7974 -14.9267 -14.9255 -2.8593 -2.8574 -2.3195 -2.3187 1.9129 1.9227 2.0130 2.0142 3.0994 3.1089 7.1838 7.1844 13.4252 13.4299 15.3221 15.3282 16.3091 16.3203 18.5898 18.5937 k = 0.1204 0.5814 0.4488 ( 1602 PWs) bands (ev): -72.8805 -72.8805 -43.2962 -43.2961 -37.0771 -37.0769 -36.8937 -36.8937 -15.7966 -15.7966 -14.9241 -14.9228 -2.8533 -2.8513 -2.3211 -2.3202 1.9119 1.9227 2.0061 2.0073 3.0931 3.1035 7.1739 7.1746 13.4424 13.4475 15.3407 15.3473 16.3029 16.3150 18.6154 18.6196 k = 0.1304 0.5814 0.4488 ( 1602 PWs) bands (ev): -72.8804 -72.8804 -43.2965 -43.2965 -37.0771 -37.0769 -36.8937 -36.8937 -15.7957 -15.7957 -14.9213 -14.9200 -2.8469 -2.8448 -2.3230 -2.3220 1.9110 1.9226 1.9987 1.9999 3.0866 3.0977 7.1636 7.1644 13.4609 13.4664 15.3602 15.3673 16.2960 16.3089 18.6432 18.6477 k = 0.1405 0.5814 0.4488 ( 1598 PWs) bands (ev): -72.8804 -72.8804 -43.2968 -43.2967 -37.0770 -37.0768 -36.8936 -36.8936 -15.7947 -15.7947 -14.9184 -14.9169 -2.8400 -2.8377 -2.3249 -2.3239 1.9101 1.9226 1.9910 1.9922 3.0799 3.0918 7.1530 7.1538 13.4805 13.4864 15.3805 15.3881 16.2882 16.3018 18.6731 18.6779 k = 0.1505 0.5814 0.4488 ( 1600 PWs) bands (ev): -72.8804 -72.8804 -43.2972 -43.2971 -37.0770 -37.0768 -36.8936 -36.8936 -15.7938 -15.7938 -14.9153 -14.9138 -2.8328 -2.8304 -2.3270 -2.3260 1.9092 1.9226 1.9829 1.9841 3.0730 3.0856 7.1415 7.1424 13.5011 13.5074 15.4015 15.4095 16.2793 16.2936 18.7051 18.7102 k = 0.1605 0.5814 0.4488 ( 1596 PWs) bands (ev): -72.8803 -72.8803 -43.2974 -43.2974 -37.0770 -37.0768 -36.8936 -36.8936 -15.7928 -15.7928 -14.9121 -14.9105 -2.8252 -2.8226 -2.3292 -2.3281 1.9083 1.9227 1.9746 1.9756 3.0659 3.0793 7.1298 7.1308 13.5226 13.5293 15.4229 15.4314 16.2694 16.2843 18.7393 18.7447 k = 0.1706 0.5814 0.4488 ( 1596 PWs) bands (ev): -72.8802 -72.8802 -43.2977 -43.2976 -37.0770 -37.0768 -36.8936 -36.8936 -15.7918 -15.7918 -14.9088 -14.9071 -2.8172 -2.8145 -2.3315 -2.3303 1.9074 1.9227 1.9661 1.9670 3.0588 3.0728 7.1178 7.1189 13.5450 13.5521 15.4445 15.4535 16.2582 16.2738 18.7754 18.7811 k = 0.1806 0.5814 0.4488 ( 1598 PWs) bands (ev): -72.8803 -72.8803 -43.2982 -43.2982 -37.0770 -37.0768 -36.8936 -36.8936 -15.7908 -15.7908 -14.9055 -14.9038 -2.8088 -2.8060 -2.3339 -2.3327 1.9063 1.9225 1.9576 1.9584 3.0515 3.0662 7.1053 7.1064 13.5679 13.5753 15.4663 15.4756 16.2457 16.2618 18.8134 18.8193 k = 0.1906 0.5814 0.4488 ( 1596 PWs) bands (ev): -72.8802 -72.8802 -43.2987 -43.2986 -37.0770 -37.0767 -36.8935 -36.8935 -15.7897 -15.7897 -14.9021 -14.9003 -2.8000 -2.7972 -2.3364 -2.3351 1.9050 1.9219 1.9493 1.9501 3.0442 3.0595 7.0926 7.0938 13.5914 13.5992 15.4879 15.4977 16.2319 16.2485 18.8532 18.8593 k = 0.2007 0.5814 0.4488 ( 1596 PWs) bands (ev): -72.8802 -72.8802 -43.2991 -43.2990 -37.0770 -37.0767 -36.8935 -36.8935 -15.7887 -15.7887 -14.8987 -14.8969 -2.7910 -2.7880 -2.3389 -2.3376 1.9030 1.9200 1.9416 1.9429 3.0369 3.0529 7.0798 7.0811 13.6154 13.6236 15.5092 15.5193 16.2166 16.2336 18.8944 18.9008 k = 0.2107 0.5814 0.4488 ( 1596 PWs) bands (ev): -72.8802 -72.8802 -43.2996 -43.2995 -37.0769 -37.0767 -36.8935 -36.8935 -15.7878 -15.7878 -14.8954 -14.8934 -2.7817 -2.7786 -2.3415 -2.3402 1.8999 1.9157 1.9350 1.9383 3.0298 3.0464 7.0670 7.0683 13.6398 13.6484 15.5300 15.5405 16.1998 16.2171 18.9369 18.9434 k = 0.2207 0.5814 0.4488 ( 1598 PWs) bands (ev): -72.8802 -72.8802 -43.3000 -43.2999 -37.0769 -37.0767 -36.8935 -36.8934 -15.7868 -15.7868 -14.8920 -14.8900 -2.7721 -2.7690 -2.3442 -2.3428 1.8951 1.9085 1.9302 1.9365 3.0227 3.0399 7.0541 7.0555 13.6645 13.6734 15.5500 15.5608 16.1815 16.1990 18.9702 18.9723 k = 0.2308 0.5814 0.4488 ( 1600 PWs) bands (ev): -72.8802 -72.8802 -43.3005 -43.3004 -37.0769 -37.0767 -36.8934 -36.8934 -15.7859 -15.7859 -14.8887 -14.8867 -2.7623 -2.7591 -2.3469 -2.3454 1.8884 1.8995 1.9274 1.9367 3.0158 3.0335 7.0412 7.0427 13.6893 13.6985 15.5691 15.5802 16.1614 16.1792 18.9200 18.9230 k = 0.2408 0.5814 0.4488 ( 1602 PWs) bands (ev): -72.8802 -72.8802 -43.3010 -43.3009 -37.0769 -37.0766 -36.8934 -36.8934 -15.7850 -15.7850 -14.8854 -14.8834 -2.7521 -2.7489 -2.3497 -2.3482 1.8802 1.8895 1.9264 1.9380 3.0091 3.0273 7.0285 7.0301 13.7140 13.7236 15.5869 15.5983 16.1399 16.1579 18.8742 18.8774 k = 0.2508 0.5814 0.4488 ( 1600 PWs) bands (ev): -72.8802 -72.8802 -43.3014 -43.3013 -37.0769 -37.0766 -36.8934 -36.8934 -15.7842 -15.7842 -14.8823 -14.8802 -2.7418 -2.7385 -2.3524 -2.3509 1.8710 1.8791 1.9267 1.9400 3.0027 3.0214 7.0161 7.0177 13.7387 13.7486 15.6034 15.6151 16.1170 16.1350 18.8329 18.8365 k = 0.2609 0.5814 0.4488 ( 1600 PWs) bands (ev): -72.8802 -72.8802 -43.3018 -43.3017 -37.0768 -37.0765 -36.8933 -36.8933 -15.7835 -15.7835 -14.8792 -14.8772 -2.7313 -2.7280 -2.3550 -2.3535 1.8611 1.8685 1.9280 1.9426 2.9965 3.0156 7.0038 7.0056 13.7631 13.7733 15.6182 15.6302 16.0926 16.1106 18.7965 18.8003 k = 0.2709 0.5814 0.4488 ( 1600 PWs) bands (ev): -72.8801 -72.8801 -43.3022 -43.3021 -37.0768 -37.0765 -36.8933 -36.8933 -15.7828 -15.7828 -14.8763 -14.8742 -2.7206 -2.7173 -2.3577 -2.3561 1.8508 1.8576 1.9301 1.9457 2.9906 3.0102 6.9919 6.9937 13.7872 13.7976 15.6311 15.6433 16.0669 16.0849 18.7649 18.7691 k = 0.2809 0.5814 0.4488 ( 1600 PWs) bands (ev): -72.8801 -72.8801 -43.3026 -43.3025 -37.0767 -37.0764 -36.8933 -36.8932 -15.7823 -15.7823 -14.8735 -14.8714 -2.7099 -2.7065 -2.3602 -2.3586 1.8403 1.8467 1.9329 1.9493 2.9850 3.0050 6.9804 6.9823 13.8105 13.8212 15.6420 15.6543 16.0401 16.0581 18.7382 18.7427 k = 0.2909 0.5814 0.4488 ( 1600 PWs) bands (ev): -72.8801 -72.8801 -43.3030 -43.3029 -37.0767 -37.0764 -36.8932 -36.8932 -15.7818 -15.7818 -14.8710 -14.8689 -2.6990 -2.6957 -2.3627 -2.3611 1.8297 1.8357 1.9363 1.9533 2.9798 3.0001 6.9693 6.9713 13.8331 13.8441 15.6505 15.6630 16.0125 16.0302 18.7165 18.7213 k = 0.3010 0.5814 0.4488 ( 1604 PWs) bands (ev): -72.8801 -72.8801 -43.3034 -43.3033 -37.0766 -37.0764 -36.8932 -36.8932 -15.7814 -15.7814 -14.8687 -14.8666 -2.6882 -2.6848 -2.3651 -2.3634 1.8190 1.8248 1.9402 1.9579 2.9749 2.9955 6.9587 6.9607 13.8547 13.8659 15.6564 15.6690 15.9839 16.0016 18.6997 18.7047 k = 0.3110 0.5814 0.4488 ( 1604 PWs) bands (ev): -72.8800 -72.8800 -43.3038 -43.3037 -37.0766 -37.0763 -36.8931 -36.8931 -15.7812 -15.7812 -14.8665 -14.8645 -2.6771 -2.6738 -2.3673 -2.3657 1.8082 1.8138 1.9448 1.9630 2.9704 2.9914 6.9486 6.9507 13.8752 13.8866 15.6594 15.6721 15.9553 15.9728 18.6878 18.6931 k = 0.3210 0.5814 0.4488 ( 1602 PWs) bands (ev): -72.8800 -72.8800 -43.3041 -43.3040 -37.0765 -37.0762 -36.8930 -36.8930 -15.7810 -15.7810 -14.8646 -14.8626 -2.6660 -2.6627 -2.3694 -2.3677 1.7976 1.8030 1.9500 1.9686 2.9664 2.9877 6.9393 6.9415 13.8944 13.9059 15.6594 15.6722 15.9268 15.9440 18.6806 18.6862 k = 0.3311 0.5814 0.4488 ( 1600 PWs) bands (ev): -72.8800 -72.8800 -43.3043 -43.3042 -37.0764 -37.0761 -36.8930 -36.8929 -15.7810 -15.7810 -14.8630 -14.8610 -2.6548 -2.6516 -2.3713 -2.3696 1.7870 1.7922 1.9558 1.9748 2.9628 2.9843 6.9307 6.9329 13.9119 13.9236 15.6561 15.6689 15.8986 15.9156 18.6781 18.6840 k = 0.3311 0.5814 0.4488 ( 1600 PWs) bands (ev): -72.8800 -72.8800 -43.3043 -43.3042 -37.0764 -37.0761 -36.8930 -36.8929 -15.7810 -15.7810 -14.8630 -14.8610 -2.6548 -2.6516 -2.3713 -2.3696 1.7870 1.7922 1.9558 1.9748 2.9628 2.9843 6.9307 6.9329 13.9119 13.9236 15.6561 15.6689 15.8986 15.9156 18.6781 18.6840 k = 0.3261 0.5726 0.4488 ( 1604 PWs) bands (ev): -72.8801 -72.8801 -43.3038 -43.3037 -37.0766 -37.0763 -36.8931 -36.8931 -15.7810 -15.7810 -14.8661 -14.8641 -2.6772 -2.6739 -2.3675 -2.3659 1.8082 1.8138 1.9441 1.9623 2.9698 2.9908 6.9478 6.9499 13.8769 13.8883 15.6634 15.6762 15.9549 15.9724 18.6823 18.6877 k = 0.3210 0.5637 0.4488 ( 1604 PWs) bands (ev): -72.8801 -72.8801 -43.3032 -43.3031 -37.0767 -37.0764 -36.8933 -36.8932 -15.7811 -15.7811 -14.8694 -14.8673 -2.6987 -2.6953 -2.3637 -2.3620 1.8286 1.8348 1.9339 1.9511 2.9769 2.9975 6.9651 6.9671 13.8399 13.8509 15.6647 15.6774 16.0101 16.0282 18.6941 18.6990 k = 0.3160 0.5549 0.4488 ( 1600 PWs) bands (ev): -72.8801 -72.8801 -43.3025 -43.3024 -37.0768 -37.0765 -36.8934 -36.8933 -15.7813 -15.7813 -14.8729 -14.8707 -2.7192 -2.7157 -2.3597 -2.3581 1.8480 1.8550 1.9256 1.9415 2.9842 3.0043 6.9828 6.9846 13.8010 13.8117 15.6599 15.6725 16.0643 16.0829 18.7134 18.7178 k = 0.3110 0.5461 0.4488 ( 1600 PWs) bands (ev): -72.8801 -72.8801 -43.3019 -43.3017 -37.0770 -37.0767 -36.8935 -36.8934 -15.7818 -15.7818 -14.8767 -14.8744 -2.7388 -2.7351 -2.3558 -2.3542 1.8654 1.8742 1.9196 1.9334 2.9916 3.0112 7.0006 7.0022 13.7604 13.7707 15.6490 15.6614 16.1167 16.1359 18.7401 18.7440 k = 0.3060 0.5373 0.4488 ( 1600 PWs) bands (ev): -72.8801 -72.8801 -43.3012 -43.3011 -37.0771 -37.0768 -36.8936 -36.8935 -15.7824 -15.7824 -14.8807 -14.8784 -2.7573 -2.7535 -2.3518 -2.3502 1.8794 1.8917 1.9178 1.9275 2.9992 3.0184 7.0186 7.0201 13.7183 13.7283 15.6321 15.6442 16.1676 16.1873 18.7740 18.7774 k = 0.3010 0.5285 0.4488 ( 1600 PWs) bands (ev): -72.8802 -72.8802 -43.3005 -43.3004 -37.0772 -37.0769 -36.8936 -36.8936 -15.7832 -15.7832 -14.8849 -14.8826 -2.7747 -2.7708 -2.3477 -2.3461 1.8867 1.9049 1.9231 1.9266 3.0069 3.0257 7.0367 7.0381 13.6750 13.6845 15.6092 15.6211 16.2167 16.2370 18.8149 18.8178 k = 0.2960 0.5197 0.4488 ( 1600 PWs) bands (ev): -72.8802 -72.8802 -43.2999 -43.2998 -37.0773 -37.0769 -36.8937 -36.8937 -15.7842 -15.7842 -14.8894 -14.8870 -2.7909 -2.7870 -2.3435 -2.3419 1.8883 1.9085 1.9347 1.9357 3.0148 3.0331 7.0551 7.0563 13.6305 13.6397 15.5807 15.5923 16.2644 16.2852 18.8624 18.8649 k = 0.2909 0.5109 0.4488 ( 1592 PWs) bands (ev): -72.8802 -72.8802 -43.2992 -43.2991 -37.0773 -37.0769 -36.8937 -36.8937 -15.7854 -15.7854 -14.8942 -14.8917 -2.8059 -2.8019 -2.3391 -2.3376 1.8881 1.9075 1.9486 1.9498 3.0230 3.0408 7.0737 7.0747 13.5852 13.5939 15.5468 15.5580 16.3106 16.3318 18.9165 18.9186 k = 0.2859 0.5021 0.4488 ( 1592 PWs) bands (ev): -72.8802 -72.8802 -43.2985 -43.2984 -37.0773 -37.0770 -36.8938 -36.8938 -15.7867 -15.7867 -14.8992 -14.8967 -2.8198 -2.8156 -2.3348 -2.3334 1.8879 1.9065 1.9626 1.9643 3.0313 3.0486 7.0924 7.0932 13.5391 13.5473 15.5075 15.5184 16.3552 16.3769 18.9766 18.9783 k = 0.2809 0.4933 0.4488 ( 1592 PWs) bands (ev): -72.8803 -72.8803 -43.2979 -43.2977 -37.0773 -37.0770 -36.8938 -36.8938 -15.7883 -15.7883 -14.9045 -14.9020 -2.8323 -2.8280 -2.3305 -2.3290 1.8887 1.9065 1.9760 1.9781 3.0397 3.0566 7.1112 7.1118 13.4923 13.5001 15.4634 15.4739 16.3986 16.4206 19.0424 19.0438 k = 0.2759 0.4845 0.4488 ( 1596 PWs) bands (ev): -72.8803 -72.8803 -43.2972 -43.2971 -37.0774 -37.0771 -36.8939 -36.8939 -15.7901 -15.7901 -14.9101 -14.9075 -2.8437 -2.8393 -2.3260 -2.3246 1.8904 1.9075 1.9886 1.9908 3.0484 3.0648 7.1301 7.1305 13.4452 13.4525 15.4146 15.4248 16.4409 16.4632 19.1134 19.1145 k = 0.2709 0.4757 0.4488 ( 1596 PWs) bands (ev): -72.8803 -72.8803 -43.2965 -43.2964 -37.0774 -37.0771 -36.8939 -36.8939 -15.7920 -15.7920 -14.9159 -14.9132 -2.8536 -2.8492 -2.3214 -2.3200 1.8934 1.9100 2.0002 2.0026 3.0573 3.0732 7.1491 7.1493 13.3977 13.4046 15.3617 15.3714 16.4824 16.5051 19.1892 19.1900 k = 0.2659 0.4668 0.4488 ( 1596 PWs) bands (ev): -72.8804 -72.8804 -43.2958 -43.2957 -37.0774 -37.0771 -36.8939 -36.8939 -15.7942 -15.7942 -14.9219 -14.9193 -2.8622 -2.8576 -2.3167 -2.3153 1.8977 1.9136 2.0107 2.0131 3.0663 3.0818 7.1682 7.1682 13.3501 13.3565 15.3049 15.3142 16.5234 16.5463 19.2694 19.2700 k = 0.2609 0.4580 0.4488 ( 1600 PWs) bands (ev): -72.8804 -72.8804 -43.2953 -43.2951 -37.0774 -37.0770 -36.8939 -36.8939 -15.7966 -15.7966 -14.9283 -14.9256 -2.8696 -2.8649 -2.3118 -2.3105 1.9032 1.9186 2.0200 2.0225 3.0755 3.0905 7.1869 7.1872 13.3024 13.3083 15.2445 15.2534 16.5639 16.5870 19.3535 19.3539 k = 0.2558 0.4492 0.4488 ( 1600 PWs) bands (ev): -72.8805 -72.8805 -43.2946 -43.2945 -37.0773 -37.0770 -36.8938 -36.8938 -15.7992 -15.7992 -14.9348 -14.9321 -2.8754 -2.8706 -2.3069 -2.3056 1.9100 1.9249 2.0281 2.0306 3.0849 3.0994 7.2060 7.2064 13.2548 13.2603 15.1809 15.1894 16.6046 16.6278 19.4411 19.4414 k = 0.2508 0.4404 0.4488 ( 1600 PWs) bands (ev): -72.8805 -72.8805 -43.2939 -43.2938 -37.0772 -37.0769 -36.8938 -36.8938 -15.8020 -15.8020 -14.9416 -14.9388 -2.8798 -2.8749 -2.3017 -2.3005 1.9180 1.9324 2.0349 2.0374 3.0944 3.1085 7.2250 7.2256 13.2074 13.2124 15.1144 15.1225 16.6454 16.6687 19.5318 19.5320 k = 0.2458 0.4316 0.4488 ( 1608 PWs) bands (ev): -72.8807 -72.8807 -43.2934 -43.2933 -37.0772 -37.0769 -36.8938 -36.8938 -15.8049 -15.8049 -14.9488 -14.9460 -2.8829 -2.8780 -2.2965 -2.2953 1.9272 1.9411 2.0405 2.0429 3.1041 3.1177 7.2438 7.2447 13.1600 13.1645 15.0454 15.0530 16.6865 16.7099 19.6250 19.6251 k = 0.2408 0.4228 0.4488 ( 1608 PWs) bands (ev): -72.8807 -72.8807 -43.2927 -43.2926 -37.0771 -37.0767 -36.8937 -36.8937 -15.8081 -15.8081 -14.9560 -14.9532 -2.8845 -2.8795 -2.2911 -2.2899 1.9376 1.9510 2.0447 2.0471 3.1140 3.1271 7.2628 7.2639 13.1132 13.1172 14.9740 14.9812 16.7285 16.7519 19.7207 19.7208 k = 0.2358 0.4140 0.4488 ( 1612 PWs) bands (ev): -72.8808 -72.8808 -43.2921 -43.2920 -37.0770 -37.0766 -36.8936 -36.8936 -15.8115 -15.8115 -14.9636 -14.9607 -2.8849 -2.8798 -2.2856 -2.2844 1.9491 1.9621 2.0477 2.0500 3.1240 3.1367 7.2815 7.2829 13.0666 13.0702 14.9007 14.9075 16.7712 16.7946 19.8183 19.8184 k = 0.2308 0.4052 0.4488 ( 1608 PWs) bands (ev): -72.8808 -72.8808 -43.2913 -43.2912 -37.0768 -37.0765 -36.8935 -36.8935 -15.8150 -15.8150 -14.9713 -14.9684 -2.8836 -2.8785 -2.2799 -2.2787 1.9617 1.9744 2.0495 2.0517 3.1342 3.1464 7.3006 7.3021 13.0208 13.0239 14.8256 14.8320 16.8153 16.8386 19.9176 19.9176 k = 0.2257 0.3964 0.4488 ( 1608 PWs) bands (ev): -72.8808 -72.8808 -43.2907 -43.2906 -37.0767 -37.0763 -36.8934 -36.8934 -15.8187 -15.8187 -14.9791 -14.9762 -2.8810 -2.8758 -2.2740 -2.2729 1.9752 1.9875 2.0501 2.0521 3.1445 3.1562 7.3193 7.3211 12.9753 12.9780 14.7489 14.7550 16.8606 16.8839 19.9927 19.9983 k = 0.2207 0.3876 0.4488 ( 1610 PWs) bands (ev): -72.8809 -72.8809 -43.2900 -43.2899 -37.0765 -37.0762 -36.8933 -36.8932 -15.8226 -15.8226 -14.9872 -14.9843 -2.8771 -2.8718 -2.2681 -2.2670 1.9894 2.0014 2.0497 2.0515 3.1549 3.1662 7.3379 7.3398 12.9305 12.9327 14.6710 14.6767 16.9075 16.9307 20.0389 20.0445 k = 0.2157 0.3788 0.4488 ( 1606 PWs) bands (ev): -72.8809 -72.8809 -43.2894 -43.2893 -37.0763 -37.0759 -36.8931 -36.8931 -15.8266 -15.8266 -14.9954 -14.9925 -2.8717 -2.8663 -2.2619 -2.2609 2.0038 2.0153 2.0491 2.0507 3.1654 3.1762 7.3563 7.3584 12.8862 12.8880 14.5920 14.5973 16.9563 16.9794 20.0882 20.0935 k = 0.2107 0.3700 0.4488 ( 1606 PWs) bands (ev): -72.8810 -72.8810 -43.2888 -43.2887 -37.0761 -37.0757 -36.8929 -36.8929 -15.8308 -15.8308 -15.0038 -15.0009 -2.8650 -2.8596 -2.2556 -2.2547 2.0162 2.0266 2.0500 2.0523 3.1760 3.1863 7.3744 7.3768 12.8427 12.8441 14.5121 14.5170 17.0068 17.0298 20.1406 20.1457 k = 0.2057 0.3611 0.4488 ( 1610 PWs) bands (ev): -72.8810 -72.8810 -43.2882 -43.2881 -37.0759 -37.0756 -36.8928 -36.8928 -15.8352 -15.8352 -15.0124 -15.0094 -2.8571 -2.8516 -2.2494 -2.2485 2.0222 2.0294 2.0569 2.0618 3.1867 3.1965 7.3923 7.3949 12.7997 12.8008 14.4314 14.4360 17.0591 17.0820 20.1963 20.2012 k = 0.2007 0.3523 0.4488 ( 1606 PWs) bands (ev): -72.8811 -72.8811 -43.2876 -43.2875 -37.0756 -37.0753 -36.8925 -36.8925 -15.8397 -15.8397 -15.0210 -15.0181 -2.8477 -2.8422 -2.2427 -2.2419 2.0206 2.0256 2.0713 2.0778 3.1974 3.2067 7.4100 7.4127 12.7575 12.7582 14.3502 14.3546 17.1138 17.1366 20.2551 20.2598 k = 0.1956 0.3435 0.4488 ( 1606 PWs) bands (ev): -72.8812 -72.8812 -43.2870 -43.2869 -37.0754 -37.0750 -36.8923 -36.8923 -15.8443 -15.8443 -15.0298 -15.0269 -2.8372 -2.8317 -2.2361 -2.2353 2.0147 2.0187 2.0895 2.0965 3.2081 3.2170 7.4274 7.4303 12.7160 12.7163 14.2686 14.2726 17.1707 17.1933 20.3172 20.3217 k = 0.1906 0.3347 0.4488 ( 1606 PWs) bands (ev): -72.8812 -72.8812 -43.2863 -43.2862 -37.0751 -37.0748 -36.8921 -36.8921 -15.8490 -15.8490 -15.0387 -15.0357 -2.8256 -2.8200 -2.2294 -2.2286 2.0066 2.0100 2.1096 2.1166 3.2189 3.2272 7.4445 7.4475 12.6752 12.6752 14.1868 14.1905 17.2299 17.2523 20.3824 20.3868 k = 0.1856 0.3259 0.4488 ( 1610 PWs) bands (ev): -72.8812 -72.8812 -43.2857 -43.2856 -37.0749 -37.0746 -36.8919 -36.8919 -15.8539 -15.8539 -15.0476 -15.0447 -2.8128 -2.8072 -2.2226 -2.2219 1.9967 1.9998 2.1311 2.1378 3.2296 3.2375 7.4612 7.4644 12.6349 12.6352 14.1049 14.1083 17.2916 17.3139 20.4509 20.4550 k = 0.1806 0.3171 0.4488 ( 1606 PWs) bands (ev): -72.8813 -72.8813 -43.2851 -43.2850 -37.0745 -37.0742 -36.8916 -36.8916 -15.8588 -15.8588 -15.0566 -15.0538 -2.7985 -2.7930 -2.2157 -2.2149 1.9855 1.9884 2.1536 2.1601 3.2404 3.2478 7.4775 7.4809 12.5953 12.5960 14.0230 14.0261 17.3561 17.3782 20.5225 20.5265 k = 0.1756 0.3083 0.4488 ( 1606 PWs) bands (ev): -72.8813 -72.8813 -43.2846 -43.2845 -37.0743 -37.0739 -36.8913 -36.8913 -15.8638 -15.8638 -15.0657 -15.0629 -2.7834 -2.7779 -2.2087 -2.2080 1.9731 1.9758 2.1770 2.1831 3.2511 3.2580 7.4935 7.4970 12.5565 12.5574 13.9412 13.9441 17.4233 17.4451 20.5973 20.6011 k = 0.1706 0.2995 0.4488 ( 1606 PWs) bands (ev): -72.8814 -72.8814 -43.2841 -43.2840 -37.0739 -37.0736 -36.8910 -36.8910 -15.8689 -15.8689 -15.0748 -15.0720 -2.7674 -2.7618 -2.2016 -2.2010 1.9596 1.9621 2.2012 2.2070 3.2616 3.2681 7.5088 7.5124 12.5185 12.5197 13.8598 13.8625 17.4932 17.5149 20.6752 20.6789 k = 0.1655 0.2907 0.4488 ( 1606 PWs) bands (ev): -72.8815 -72.8815 -43.2836 -43.2835 -37.0736 -37.0733 -36.8908 -36.8908 -15.8740 -15.8740 -15.0840 -15.0811 -2.7503 -2.7448 -2.1946 -2.1940 1.9450 1.9473 2.2261 2.2315 3.2722 3.2781 7.5239 7.5276 12.4813 12.4827 13.7788 13.7812 17.5661 17.5875 20.7564 20.7599 k = 0.1605 0.2819 0.4488 ( 1602 PWs) bands (ev): -72.8815 -72.8815 -43.2829 -43.2828 -37.0733 -37.0730 -36.8905 -36.8905 -15.8792 -15.8792 -15.0930 -15.0903 -2.7323 -2.7268 -2.1876 -2.1870 1.9294 1.9315 2.2517 2.2567 3.2826 3.2881 7.5388 7.5426 12.4449 12.4466 13.6983 13.7005 17.6419 17.6632 20.8406 20.8440 k = 0.1555 0.2731 0.4488 ( 1598 PWs) bands (ev): -72.8815 -72.8815 -43.2822 -43.2822 -37.0730 -37.0727 -36.8901 -36.8901 -15.8843 -15.8843 -15.1021 -15.0994 -2.7134 -2.7079 -2.1805 -2.1799 1.9129 1.9149 2.2778 2.2824 3.2930 3.2980 7.5533 7.5572 12.4094 12.4112 13.6185 13.6204 17.7208 17.7419 20.9280 20.9312 k = 0.1505 0.2643 0.4488 ( 1594 PWs) bands (ev): -72.8816 -72.8816 -43.2817 -43.2817 -37.0726 -37.0723 -36.8898 -36.8898 -15.8896 -15.8896 -15.1111 -15.1085 -2.6935 -2.6880 -2.1735 -2.1730 1.8956 1.8975 2.3045 2.3087 3.3031 3.3077 7.5670 7.5710 12.3746 12.3767 13.5394 13.5411 17.8029 17.8237 21.0184 21.0215 k = 0.1455 0.2554 0.4488 ( 1606 PWs) bands (ev): -72.8817 -72.8817 -43.2815 -43.2814 -37.0724 -37.0721 -36.8896 -36.8896 -15.8948 -15.8948 -15.1202 -15.1175 -2.6735 -2.6681 -2.1666 -2.1661 1.8774 1.8792 2.3314 2.3352 3.3130 3.3172 7.5798 7.5838 12.3406 12.3429 13.4611 13.4627 17.8875 17.9081 21.1119 21.1149 k = 0.1405 0.2466 0.4488 ( 1606 PWs) bands (ev): -72.8818 -72.8818 -43.2810 -43.2809 -37.0721 -37.0718 -36.8892 -36.8892 -15.9000 -15.9000 -15.1290 -15.1264 -2.6526 -2.6472 -2.1597 -2.1592 1.8586 1.8603 2.3589 2.3623 3.3228 3.3265 7.5925 7.5965 12.3075 12.3099 13.3840 13.3853 17.9757 17.9960 21.2084 21.2113 k = 0.1354 0.2378 0.4488 ( 1602 PWs) bands (ev): -72.8818 -72.8818 -43.2805 -43.2805 -37.0717 -37.0715 -36.8889 -36.8889 -15.9052 -15.9052 -15.1378 -15.1353 -2.6310 -2.6257 -2.1528 -2.1523 1.8393 1.8408 2.3867 2.3897 3.3324 3.3357 7.6047 7.6088 12.2752 12.2777 13.3079 13.3091 18.0671 18.0872 21.3079 21.3106 k = 0.1304 0.2290 0.4488 ( 1602 PWs) bands (ev): -72.8819 -72.8819 -43.2801 -43.2800 -37.0714 -37.0712 -36.8886 -36.8886 -15.9103 -15.9103 -15.1465 -15.1440 -2.6091 -2.6038 -2.1460 -2.1456 1.8194 1.8208 2.4146 2.4172 3.3418 3.3446 7.6164 7.6204 12.2438 12.2464 13.2330 13.2341 18.1615 18.1814 21.4103 21.4129 k = 0.1254 0.2202 0.4488 ( 1606 PWs) bands (ev): -72.8819 -72.8819 -43.2797 -43.2796 -37.0711 -37.0709 -36.8883 -36.8883 -15.9154 -15.9154 -15.1550 -15.1526 -2.5868 -2.5816 -2.1394 -2.1390 1.7991 1.8004 2.4426 2.4448 3.3509 3.3533 7.6274 7.6315 12.2133 12.2160 13.1596 13.1605 18.2589 18.2785 21.5155 21.5180 k = 0.1204 0.2114 0.4488 ( 1610 PWs) bands (ev): -72.8821 -72.8821 -43.2793 -43.2793 -37.0709 -37.0706 -36.8880 -36.8880 -15.9204 -15.9204 -15.1634 -15.1610 -2.5643 -2.5592 -2.1329 -2.1325 1.7784 1.7797 2.4707 2.4725 3.3598 3.3618 7.6380 7.6420 12.1836 12.1864 13.0876 13.0883 18.3594 18.3789 21.6234 21.6259 k = 0.1154 0.2026 0.4488 ( 1610 PWs) bands (ev): -72.8821 -72.8821 -43.2790 -43.2789 -37.0706 -37.0703 -36.8877 -36.8876 -15.9254 -15.9254 -15.1715 -15.1692 -2.5414 -2.5364 -2.1265 -2.1261 1.7575 1.7587 2.4987 2.5003 3.3683 3.3700 7.6481 7.6521 12.1549 12.1577 13.0172 13.0178 18.4633 18.4825 21.7340 21.7364 k = 0.1104 0.1938 0.4488 ( 1610 PWs) bands (ev): -72.8822 -72.8822 -43.2786 -43.2785 -37.0703 -37.0700 -36.8873 -36.8873 -15.9302 -15.9302 -15.1795 -15.1773 -2.5185 -2.5136 -2.1203 -2.1199 1.7365 1.7375 2.5267 2.5279 3.3766 3.3779 7.6577 7.6616 12.1272 12.1300 12.9485 12.9490 18.5703 18.5892 21.8472 21.8494 k = 0.1053 0.1850 0.4488 ( 1606 PWs) bands (ev): -72.8822 -72.8822 -43.2782 -43.2781 -37.0699 -37.0697 -36.8869 -36.8869 -15.9349 -15.9349 -15.1872 -15.1851 -2.4955 -2.4907 -2.1139 -2.1136 1.7155 1.7164 2.5544 2.5553 3.3846 3.3855 7.6668 7.6706 12.1004 12.1032 12.8817 12.8821 18.6804 18.6990 21.9627 21.9647 k = 0.1003 0.1762 0.4488 ( 1606 PWs) bands (ev): -72.8823 -72.8823 -43.2779 -43.2778 -37.0696 -37.0694 -36.8866 -36.8866 -15.9395 -15.9395 -15.1948 -15.1927 -2.4726 -2.4679 -2.1081 -2.1077 1.6944 1.6953 2.5818 2.5824 3.3923 3.3928 7.6754 7.6791 12.0746 12.0774 12.8168 12.8172 18.7934 18.8118 22.0803 22.0823 k = 0.0953 0.1674 0.4488 ( 1610 PWs) bands (ev): -72.8824 -72.8824 -43.2776 -43.2775 -37.0694 -37.0692 -36.8864 -36.8864 -15.9440 -15.9440 -15.2020 -15.2001 -2.4500 -2.4455 -2.1025 -2.1022 1.6734 1.6742 2.6088 2.6090 3.3996 3.3998 7.6834 7.6871 12.0498 12.0526 12.7541 12.7543 18.9093 18.9274 22.1999 22.2018 k = 0.0903 0.1586 0.4488 ( 1610 PWs) bands (ev): -72.8824 -72.8824 -43.2772 -43.2772 -37.0691 -37.0690 -36.8861 -36.8861 -15.9483 -15.9483 -15.2090 -15.2071 -2.4277 -2.4234 -2.0970 -2.0967 1.6528 1.6535 2.6352 2.6353 3.4065 3.4066 7.6910 7.6945 12.0260 12.0288 12.6936 12.6937 19.0281 19.0460 22.3212 22.3229 k = 0.0853 0.1497 0.4488 ( 1610 PWs) bands (ev): -72.8825 -72.8825 -43.2769 -43.2769 -37.0689 -37.0687 -36.8858 -36.8858 -15.9524 -15.9524 -15.2157 -15.2139 -2.4057 -2.4015 -2.0917 -2.0914 1.6324 1.6331 2.6608 2.6611 3.4129 3.4132 7.6981 7.7015 12.0034 12.0060 12.6354 12.6355 19.1497 19.1673 22.4437 22.4454 k = 0.0803 0.1409 0.4488 ( 1618 PWs) bands (ev): -72.8826 -72.8826 -43.2769 -43.2769 -37.0687 -37.0685 -36.8855 -36.8855 -15.9564 -15.9564 -15.2222 -15.2205 -2.3844 -2.3804 -2.0869 -2.0865 1.6125 1.6131 2.6856 2.6862 3.4188 3.4194 7.7040 7.7073 11.9817 11.9843 12.5796 12.5797 19.2737 19.2910 22.5668 22.5686 k = 0.0752 0.1321 0.4488 ( 1622 PWs) bands (ev): -72.8827 -72.8827 -43.2768 -43.2767 -37.0685 -37.0683 -36.8853 -36.8853 -15.9603 -15.9603 -15.2284 -15.2268 -2.3636 -2.3597 -2.0821 -2.0818 1.5931 1.5936 2.7097 2.7104 3.4244 3.4252 7.7099 7.7130 11.9612 11.9637 12.5265 12.5265 19.4004 19.4175 22.6332 22.6340 k = 0.0702 0.1233 0.4488 ( 1626 PWs) bands (ev): -72.8828 -72.8828 -43.2765 -43.2765 -37.0683 -37.0681 -36.8850 -36.8850 -15.9639 -15.9639 -15.2342 -15.2326 -2.3436 -2.3399 -2.0776 -2.0773 1.5744 1.5748 2.7328 2.7337 3.4297 3.4307 7.7156 7.7185 11.9419 11.9443 12.4761 12.4762 19.5292 19.5461 22.6650 22.6651 k = 0.0652 0.1145 0.4488 ( 1630 PWs) bands (ev): -72.8828 -72.8828 -43.2763 -43.2763 -37.0681 -37.0680 -36.8848 -36.8848 -15.9673 -15.9673 -15.2396 -15.2382 -2.3243 -2.3208 -2.0733 -2.0730 1.5564 1.5567 2.7548 2.7559 3.4346 3.4358 7.7207 7.7235 11.9238 11.9261 12.4285 12.4286 19.6606 19.6772 22.6841 22.6852 k = 0.0602 0.1057 0.4488 ( 1626 PWs) bands (ev): -72.8828 -72.8828 -43.2761 -43.2761 -37.0679 -37.0677 -36.8845 -36.8845 -15.9705 -15.9705 -15.2447 -15.2434 -2.3059 -2.3027 -2.0691 -2.0688 1.5393 1.5396 2.7758 2.7770 3.4392 3.4405 7.7257 7.7283 11.9069 11.9091 12.3840 12.3842 19.7943 19.8105 22.6886 22.6910 k = 0.0552 0.0969 0.4488 ( 1626 PWs) bands (ev): -72.8829 -72.8829 -43.2759 -43.2759 -37.0677 -37.0676 -36.8843 -36.8843 -15.9735 -15.9735 -15.2494 -15.2482 -2.2886 -2.2855 -2.0654 -2.0651 1.5231 1.5234 2.7956 2.7969 3.4435 3.4448 7.7301 7.7325 11.8913 11.8933 12.3426 12.3427 19.9298 19.9457 22.6759 22.6798 k = 0.0502 0.0881 0.4488 ( 1622 PWs) bands (ev): -72.8829 -72.8829 -43.2757 -43.2757 -37.0675 -37.0674 -36.8841 -36.8841 -15.9762 -15.9762 -15.2537 -15.2526 -2.2724 -2.2696 -2.0618 -2.0616 1.5081 1.5083 2.8141 2.8154 3.4473 3.4487 7.7341 7.7363 11.8769 11.8788 12.3043 12.3045 20.0670 20.0827 22.6443 22.6497 k = 0.0451 0.0793 0.4488 ( 1624 PWs) bands (ev): -72.8829 -72.8829 -43.2755 -43.2755 -37.0673 -37.0672 -36.8839 -36.8839 -15.9787 -15.9787 -15.2576 -15.2566 -2.2575 -2.2549 -2.0587 -2.0584 1.4941 1.4943 2.8311 2.8324 3.4509 3.4522 7.7377 7.7397 11.8638 11.8655 12.2693 12.2695 20.2053 20.2206 22.5934 22.6002 k = 0.0401 0.0705 0.4488 ( 1620 PWs) bands (ev): -72.8829 -72.8829 -43.2754 -43.2754 -37.0672 -37.0671 -36.8837 -36.8837 -15.9810 -15.9810 -15.2612 -15.2603 -2.2437 -2.2414 -2.0558 -2.0555 1.4813 1.4815 2.8467 2.8480 3.4540 3.4554 7.7409 7.7428 11.8521 11.8536 12.2378 12.2379 20.3448 20.3598 22.5253 22.5332 k = 0.0351 0.0617 0.4488 ( 1624 PWs) bands (ev): -72.8830 -72.8830 -43.2753 -43.2752 -37.0671 -37.0670 -36.8836 -36.8836 -15.9830 -15.9830 -15.2643 -15.2635 -2.2315 -2.2295 -2.0532 -2.0530 1.4698 1.4700 2.8606 2.8618 3.4568 3.4581 7.7437 7.7453 11.8417 11.8430 12.2097 12.2098 20.4844 20.4990 22.4416 22.4504 k = 0.0301 0.0529 0.4488 ( 1624 PWs) bands (ev): -72.8830 -72.8830 -43.2752 -43.2751 -37.0670 -37.0669 -36.8834 -36.8834 -15.9847 -15.9847 -15.2671 -15.2664 -2.2208 -2.2190 -2.0509 -2.0507 1.4597 1.4598 2.8729 2.8740 3.4592 3.4604 7.7461 7.7476 11.8326 11.8338 12.1852 12.1853 20.6241 20.6382 22.3459 22.3554 k = 0.0251 0.0440 0.4488 ( 1624 PWs) bands (ev): -72.8830 -72.8830 -43.2751 -43.2750 -37.0669 -37.0668 -36.8833 -36.8833 -15.9862 -15.9862 -15.2694 -15.2688 -2.2115 -2.2100 -2.0490 -2.0488 1.4511 1.4511 2.8834 2.8844 3.4613 3.4623 7.7482 7.7494 11.8249 11.8259 12.1643 12.1644 20.7626 20.7763 22.2413 22.2512 k = 0.0201 0.0352 0.4488 ( 1628 PWs) bands (ev): -72.8831 -72.8831 -43.2751 -43.2751 -37.0668 -37.0668 -36.8833 -36.8833 -15.9875 -15.9875 -15.2713 -15.2708 -2.2040 -2.2028 -2.0474 -2.0472 1.4439 1.4439 2.8922 2.8930 3.4630 3.4638 7.7498 7.7508 11.8186 11.8194 12.1471 12.1472 20.8981 20.9111 22.1314 22.1415 k = 0.0150 0.0264 0.4488 ( 1624 PWs) bands (ev): -72.8831 -72.8831 -43.2750 -43.2750 -37.0667 -37.0667 -36.8832 -36.8832 -15.9884 -15.9884 -15.2727 -15.2724 -2.1978 -2.1969 -2.0461 -2.0459 1.4383 1.4383 2.8991 2.8997 3.4644 3.4650 7.7516 7.7523 11.8138 11.8144 12.1338 12.1338 21.0284 21.0403 22.0204 22.0303 k = 0.0100 0.0176 0.4488 ( 1624 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0667 -37.0667 -36.8831 -36.8831 -15.9891 -15.9891 -15.2737 -15.2735 -2.1934 -2.1928 -2.0451 -2.0451 1.4342 1.4342 2.9040 2.9045 3.4654 3.4658 7.7526 7.7531 11.8103 11.8107 12.1242 12.1242 21.1469 21.1570 21.9158 21.9246 k = 0.0050 0.0088 0.4488 ( 1620 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0667 -37.0666 -36.8831 -36.8831 -15.9895 -15.9895 -15.2743 -15.2742 -2.1907 -2.1904 -2.0445 -2.0445 1.4318 1.4318 2.9072 2.9074 3.4660 3.4663 7.7533 7.7535 11.8083 11.8085 12.1184 12.1185 21.2402 21.2467 21.8333 21.8392 k = 0.0000 0.0000 0.4488 ( 1620 PWs) bands (ev): -72.8831 -72.8831 -43.2750 -43.2750 -37.0666 -37.0666 -36.8830 -36.8830 -15.9896 -15.9896 -15.2744 -15.2744 -2.1896 -2.1896 -2.0443 -2.0443 1.4310 1.4310 2.9082 2.9082 3.4664 3.4664 7.7534 7.7534 11.8077 11.8077 12.1165 12.1165 21.2805 21.2805 21.8015 21.8015 k = 0.0000 0.0000 0.4488 ( 1620 PWs) bands (ev): -72.8831 -72.8831 -43.2750 -43.2750 -37.0666 -37.0666 -36.8830 -36.8830 -15.9896 -15.9896 -15.2744 -15.2744 -2.1896 -2.1896 -2.0443 -2.0443 1.4310 1.4310 2.9082 2.9082 3.4664 3.4664 7.7534 7.7534 11.8077 11.8077 12.1165 12.1165 21.2805 21.2805 21.8015 21.8015 k = 0.0000 0.0000 0.4389 ( 1620 PWs) bands (ev): -72.8831 -72.8831 -43.2750 -43.2750 -37.0666 -37.0666 -36.8830 -36.8830 -15.9906 -15.9904 -15.2736 -15.2734 -2.1897 -2.1897 -2.0445 -2.0444 1.4323 1.4323 2.9083 2.9083 3.4662 3.4662 7.7534 7.7536 11.7713 11.7715 12.1527 12.1530 21.2809 21.2809 21.7972 21.7976 k = 0.0000 0.0000 0.4289 ( 1624 PWs) bands (ev): -72.8832 -72.8832 -43.2751 -43.2751 -37.0666 -37.0666 -36.8830 -36.8830 -15.9934 -15.9930 -15.2711 -15.2706 -2.1900 -2.1899 -2.0451 -2.0450 1.4359 1.4360 2.9084 2.9084 3.4657 3.4658 7.7532 7.7536 11.6902 11.6903 12.2340 12.2344 21.2820 21.2820 21.7847 21.7855 k = 0.0000 0.0000 0.4189 ( 1628 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0667 -37.0667 -36.8831 -36.8831 -15.9980 -15.9973 -15.2668 -15.2660 -2.1901 -2.1901 -2.0463 -2.0461 1.4420 1.4421 2.9085 2.9085 3.4651 3.4651 7.7537 7.7543 11.5930 11.5931 12.3315 12.3320 21.2839 21.2839 21.7642 21.7653 k = 0.0000 0.0000 0.4089 ( 1632 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0667 -37.0667 -36.8831 -36.8831 -16.0041 -16.0032 -15.2607 -15.2597 -2.1905 -2.1904 -2.0477 -2.0475 1.4505 1.4506 2.9087 2.9088 3.4641 3.4642 7.7539 7.7547 11.4897 11.4897 12.4353 12.4358 21.2867 21.2867 21.7356 21.7371 k = 0.0000 0.0000 0.3990 ( 1632 PWs) bands (ev): -72.8831 -72.8831 -43.2748 -43.2748 -37.0667 -37.0667 -36.8831 -36.8831 -16.0118 -16.0107 -15.2531 -15.2519 -2.1909 -2.1908 -2.0494 -2.0491 1.4615 1.4616 2.9091 2.9091 3.4629 3.4630 7.7545 7.7555 11.3838 11.3840 12.5417 12.5423 21.2903 21.2903 21.6991 21.7009 k = 0.0000 0.0000 0.3890 ( 1636 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0667 -37.0667 -36.8831 -36.8831 -16.0209 -16.0196 -15.2441 -15.2427 -2.1915 -2.1914 -2.0513 -2.0510 1.4748 1.4750 2.9094 2.9094 3.4614 3.4615 7.7546 7.7558 11.2769 11.2771 12.6493 12.6500 21.2945 21.2946 21.6545 21.6566 k = 0.0000 0.0000 0.3790 ( 1636 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0667 -37.0667 -36.8831 -36.8831 -16.0312 -16.0298 -15.2337 -15.2321 -2.1921 -2.1920 -2.0535 -2.0531 1.4904 1.4906 2.9099 2.9099 3.4597 3.4599 7.7552 7.7566 11.1696 11.1700 12.7575 12.7581 21.2998 21.2999 21.6020 21.6044 k = 0.0000 0.0000 0.3691 ( 1636 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0666 -37.0666 -36.8831 -36.8831 -16.0427 -16.0411 -15.2222 -15.2205 -2.1927 -2.1926 -2.0559 -2.0556 1.5084 1.5086 2.9104 2.9104 3.4577 3.4579 7.7558 7.7574 11.0624 11.0629 12.8656 12.8662 21.3058 21.3060 21.5415 21.5442 k = 0.0000 0.0000 0.3591 ( 1634 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0666 -37.0666 -36.8830 -36.8830 -16.0551 -16.0534 -15.2096 -15.2078 -2.1934 -2.1933 -2.0585 -2.0581 1.5284 1.5287 2.9110 2.9110 3.4556 3.4558 7.7567 7.7585 10.9556 10.9563 12.9735 12.9741 21.3127 21.3130 21.4734 21.4763 k = 0.0000 0.0000 0.3491 ( 1634 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0665 -37.0665 -36.8829 -36.8829 -16.0683 -16.0665 -15.1962 -15.1942 -2.1942 -2.1941 -2.0614 -2.0610 1.5506 1.5509 2.9116 2.9116 3.4532 3.4534 7.7573 7.7593 10.8493 10.8502 13.0808 13.0814 21.3202 21.3207 21.3980 21.4007 k = 0.0000 0.0000 0.3391 ( 1634 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0664 -37.0664 -36.8829 -36.8829 -16.0822 -16.0803 -15.1821 -15.1800 -2.1950 -2.1949 -2.0645 -2.0641 1.5749 1.5752 2.9123 2.9123 3.4506 3.4509 7.7579 7.7601 10.7438 10.7448 13.1875 13.1880 21.3108 21.3168 21.3305 21.3329 k = 0.0000 0.0000 0.3292 ( 1630 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0663 -37.0663 -36.8828 -36.8828 -16.0967 -16.0947 -15.1673 -15.1652 -2.1957 -2.1956 -2.0678 -2.0673 1.6010 1.6014 2.9131 2.9131 3.4478 3.4481 7.7586 7.7610 10.6392 10.6404 13.2932 13.2938 21.2237 21.2280 21.3395 21.3400 k = 0.0000 0.0000 0.3192 ( 1634 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0663 -37.0663 -36.8828 -36.8828 -16.1116 -16.1096 -15.1521 -15.1499 -2.1968 -2.1966 -2.0714 -2.0709 1.6290 1.6294 2.9138 2.9138 3.4448 3.4452 7.7590 7.7617 10.5356 10.5369 13.3979 13.3984 21.1281 21.1324 21.3497 21.3499 k = 0.0000 0.0000 0.3092 ( 1630 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0662 -37.0662 -36.8827 -36.8827 -16.1268 -16.1248 -15.1365 -15.1343 -2.1978 -2.1976 -2.0750 -2.0744 1.6588 1.6593 2.9147 2.9147 3.4417 3.4421 7.7595 7.7624 10.4332 10.4347 13.5015 13.5019 21.0274 21.0318 21.3611 21.3613 k = 0.0000 0.0000 0.2992 ( 1628 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0661 -37.0661 -36.8826 -36.8826 -16.1422 -16.1402 -15.1207 -15.1184 -2.1988 -2.1986 -2.0786 -2.0781 1.6902 1.6907 2.9156 2.9156 3.4384 3.4388 7.7599 7.7629 10.3320 10.3338 13.6037 13.6040 20.9228 20.9274 21.3733 21.3735 k = 0.0000 0.0000 0.2893 ( 1628 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0660 -37.0660 -36.8825 -36.8825 -16.1578 -16.1558 -15.1047 -15.1024 -2.2000 -2.1998 -2.0824 -2.0818 1.7231 1.7236 2.9165 2.9165 3.4350 3.4355 7.7600 7.7633 10.2323 10.2343 13.7043 13.7046 20.8155 20.8202 21.3863 21.3864 k = 0.0000 0.0000 0.2793 ( 1624 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0658 -37.0658 -36.8824 -36.8824 -16.1735 -16.1714 -15.0886 -15.0863 -2.2010 -2.2008 -2.0861 -2.0855 1.7574 1.7580 2.9174 2.9175 3.4315 3.4320 7.7600 7.7635 10.1342 10.1364 13.8034 13.8035 20.7066 20.7115 21.4001 21.4003 k = 0.0000 0.0000 0.2693 ( 1624 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0658 -37.0658 -36.8823 -36.8823 -16.1891 -16.1871 -15.0726 -15.0703 -2.2023 -2.2020 -2.0899 -2.0893 1.7929 1.7936 2.9184 2.9184 3.4279 3.4284 7.7597 7.7635 10.0378 10.0402 13.9006 13.9006 20.5973 20.6023 21.4146 21.4148 k = 0.0000 0.0000 0.2593 ( 1624 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0657 -37.0657 -36.8822 -36.8822 -16.2046 -16.2026 -15.0566 -15.0543 -2.2035 -2.2033 -2.0937 -2.0931 1.8295 1.8302 2.9193 2.9194 3.4242 3.4248 7.7592 7.7632 9.9432 9.9458 13.9958 13.9958 20.4883 20.4935 21.4283 21.4287 k = 0.0000 0.0000 0.2494 ( 1624 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0656 -37.0656 -36.8821 -36.8821 -16.2199 -16.2180 -15.0408 -15.0385 -2.2048 -2.2045 -2.0976 -2.0970 1.8671 1.8679 2.9203 2.9204 3.4205 3.4211 7.7583 7.7625 9.8506 9.8535 14.0888 14.0889 20.3807 20.3859 21.3655 21.3666 k = 0.0000 0.0000 0.2394 ( 1620 PWs) bands (ev): -72.8831 -72.8831 -43.2747 -43.2747 -37.0655 -37.0655 -36.8820 -36.8820 -16.2350 -16.2331 -15.0252 -15.0230 -2.2060 -2.2058 -2.1013 -2.1007 1.9055 1.9063 2.9213 2.9214 3.4167 3.4173 7.7575 7.7619 9.7602 9.7633 14.1794 14.1797 20.2750 20.2804 21.2963 21.2974 k = 0.0000 0.0000 0.2294 ( 1616 PWs) bands (ev): -72.8831 -72.8831 -43.2747 -43.2747 -37.0653 -37.0653 -36.8819 -36.8819 -16.2499 -16.2480 -15.0099 -15.0077 -2.2073 -2.2071 -2.1050 -2.1044 1.9447 1.9455 2.9224 2.9225 3.4130 3.4135 7.7559 7.7605 9.6721 9.6754 14.2677 14.2680 20.1720 20.1774 21.2298 21.2309 k = 0.0000 0.0000 0.2194 ( 1610 PWs) bands (ev): -72.8830 -72.8830 -43.2746 -43.2746 -37.0652 -37.0652 -36.8818 -36.8818 -16.2643 -16.2625 -14.9948 -14.9926 -2.2085 -2.2083 -2.1085 -2.1079 1.9843 1.9852 2.9234 2.9235 3.4092 3.4099 7.7541 7.7589 9.5865 9.5900 14.3532 14.3537 20.0720 20.0775 21.1662 21.1672 k = 0.0000 0.0000 0.2095 ( 1610 PWs) bands (ev): -72.8829 -72.8829 -43.2744 -43.2744 -37.0651 -37.0651 -36.8817 -36.8817 -16.2784 -16.2766 -14.9802 -14.9781 -2.2098 -2.2096 -2.1120 -2.1115 2.0242 2.0251 2.9244 2.9244 3.4055 3.4062 7.7518 7.7568 9.5036 9.5073 14.4360 14.4366 19.9753 19.9809 21.1050 21.1059 k = 0.0000 0.0000 0.1995 ( 1610 PWs) bands (ev): -72.8829 -72.8829 -43.2744 -43.2744 -37.0650 -37.0650 -36.8817 -36.8817 -16.2921 -16.2904 -14.9660 -14.9639 -2.2111 -2.2109 -2.1154 -2.1149 2.0642 2.0652 2.9254 2.9254 3.4018 3.4025 7.7486 7.7538 9.4235 9.4274 14.5158 14.5165 19.8826 19.8882 21.0463 21.0472 k = 0.0000 0.0000 0.1895 ( 1606 PWs) bands (ev): -72.8829 -72.8829 -43.2744 -43.2744 -37.0649 -37.0649 -36.8816 -36.8816 -16.3054 -16.3037 -14.9522 -14.9502 -2.2124 -2.2122 -2.1187 -2.1182 2.1041 2.1052 2.9263 2.9264 3.3981 3.3988 7.7449 7.7503 9.3464 9.3505 14.5926 14.5934 19.7941 19.7997 20.9903 20.9912 k = 0.0000 0.0000 0.1795 ( 1605 PWs) bands (ev): -72.8829 -72.8829 -43.2744 -43.2744 -37.0648 -37.0648 -36.8815 -36.8815 -16.3182 -16.3166 -14.9389 -14.9370 -2.2137 -2.2134 -2.1219 -2.1214 2.1438 2.1449 2.9273 2.9274 3.3945 3.3952 7.7406 7.7462 9.2726 9.2769 14.6660 14.6669 19.7098 19.7154 20.9368 20.9376 k = 0.0000 0.0000 0.1696 ( 1609 PWs) bands (ev): -72.8829 -72.8829 -43.2744 -43.2744 -37.0647 -37.0647 -36.8814 -36.8814 -16.3304 -16.3289 -14.9262 -14.9244 -2.2150 -2.2148 -2.1249 -2.1244 2.1831 2.1842 2.9282 2.9283 3.3909 3.3917 7.7356 7.7413 9.2021 9.2066 14.7360 14.7370 19.6299 19.6355 20.8858 20.8866 k = 0.0000 0.0000 0.1596 ( 1609 PWs) bands (ev): -72.8829 -72.8829 -43.2744 -43.2744 -37.0646 -37.0646 -36.8813 -36.8813 -16.3421 -16.3406 -14.9141 -14.9123 -2.2162 -2.2160 -2.1278 -2.1274 2.2217 2.2228 2.9291 2.9292 3.3875 3.3883 7.7300 7.7357 9.1353 9.1398 14.8025 14.8036 19.5547 19.5602 20.8375 20.8382 k = 0.0000 0.0000 0.1496 ( 1609 PWs) bands (ev): -72.8829 -72.8829 -43.2744 -43.2744 -37.0646 -37.0646 -36.8813 -36.8813 -16.3532 -16.3518 -14.9025 -14.9008 -2.2174 -2.2171 -2.1305 -2.1301 2.2594 2.2606 2.9300 2.9301 3.3842 3.3850 7.7237 7.7295 9.0722 9.0768 14.8654 14.8665 19.4844 19.4898 20.7919 20.7925 k = 0.0000 0.0000 0.1396 ( 1609 PWs) bands (ev): -72.8829 -72.8829 -43.2744 -43.2744 -37.0645 -37.0645 -36.8812 -36.8812 -16.3637 -16.3624 -14.8915 -14.8900 -2.2185 -2.2182 -2.1331 -2.1327 2.2961 2.2973 2.9309 2.9310 3.3810 3.3818 7.7169 7.7227 9.0130 9.0177 14.9244 14.9256 19.4188 19.4241 20.7489 20.7495 k = 0.0000 0.0000 0.1297 ( 1607 PWs) bands (ev): -72.8829 -72.8829 -43.2744 -43.2743 -37.0644 -37.0644 -36.8811 -36.8811 -16.3735 -16.3723 -14.8812 -14.8797 -2.2195 -2.2193 -2.1355 -2.1351 2.3316 2.3327 2.9317 2.9318 3.3780 3.3788 7.7097 7.7154 8.9578 8.9625 14.9796 14.9809 19.3582 19.3634 20.7088 20.7093 k = 0.0000 0.0000 0.1197 ( 1605 PWs) bands (ev): -72.8829 -72.8829 -43.2744 -43.2744 -37.0643 -37.0643 -36.8810 -36.8810 -16.3827 -16.3816 -14.8715 -14.8702 -2.2205 -2.2203 -2.1376 -2.1373 2.3655 2.3667 2.9325 2.9327 3.3752 3.3759 7.7018 7.7074 8.9069 8.9115 15.0309 15.0321 19.3026 19.3075 20.6713 20.6718 k = 0.0000 0.0000 0.1097 ( 1605 PWs) bands (ev): -72.8829 -72.8829 -43.2744 -43.2744 -37.0642 -37.0642 -36.8810 -36.8810 -16.3913 -16.3902 -14.8626 -14.8613 -2.2214 -2.2212 -2.1397 -2.1393 2.3977 2.3988 2.9333 2.9334 3.3725 3.3732 7.6935 7.6990 8.8602 8.8647 15.0781 15.0794 19.2517 19.2564 20.6366 20.6370 k = 0.0000 0.0000 0.0997 ( 1597 PWs) bands (ev): -72.8829 -72.8829 -43.2744 -43.2744 -37.0641 -37.0641 -36.8808 -36.8808 -16.3991 -16.3981 -14.8543 -14.8532 -2.2221 -2.2219 -2.1413 -2.1410 2.4280 2.4291 2.9340 2.9342 3.3700 3.3707 7.6850 7.6902 8.8177 8.8221 15.1213 15.1225 19.2059 19.2104 20.6049 20.6052 k = 0.0000 0.0000 0.0898 ( 1599 PWs) bands (ev): -72.8829 -72.8829 -43.2744 -43.2744 -37.0640 -37.0640 -36.8808 -36.8808 -16.4062 -16.4054 -14.8469 -14.8458 -2.2229 -2.2227 -2.1431 -2.1428 2.4563 2.4573 2.9347 2.9348 3.3677 3.3684 7.6764 7.6813 8.7796 8.7838 15.1602 15.1614 19.1648 19.1690 20.5758 20.5762 k = 0.0000 0.0000 0.0798 ( 1599 PWs) bands (ev): -72.8829 -72.8829 -43.2744 -43.2744 -37.0640 -37.0640 -36.8807 -36.8807 -16.4126 -16.4119 -14.8401 -14.8392 -2.2236 -2.2235 -2.1446 -2.1444 2.4821 2.4831 2.9353 2.9354 3.3657 3.3663 7.6680 7.6725 8.7459 8.7497 15.1951 15.1962 19.1284 19.1321 20.5498 20.5501 k = 0.0000 0.0000 0.0698 ( 1599 PWs) bands (ev): -72.8829 -72.8829 -43.2744 -43.2744 -37.0639 -37.0639 -36.8807 -36.8807 -16.4183 -16.4176 -14.8341 -14.8333 -2.2243 -2.2241 -2.1460 -2.1457 2.5054 2.5063 2.9359 2.9359 3.3638 3.3644 7.6598 7.6640 8.7164 8.7199 15.2259 15.2269 19.0965 19.0999 20.5268 20.5270 k = 0.0000 0.0000 0.0598 ( 1599 PWs) bands (ev): -72.8829 -72.8829 -43.2744 -43.2744 -37.0639 -37.0639 -36.8807 -36.8807 -16.4233 -16.4227 -14.8289 -14.8281 -2.2249 -2.2247 -2.1471 -2.1469 2.5260 2.5268 2.9363 2.9364 3.3622 3.3627 7.6523 7.6559 8.6911 8.6942 15.2525 15.2535 19.0693 19.0722 20.5067 20.5069 k = 0.0000 0.0000 0.0499 ( 1591 PWs) bands (ev): -72.8828 -72.8828 -43.2743 -43.2743 -37.0638 -37.0638 -36.8806 -36.8806 -16.4274 -16.4270 -14.8243 -14.8238 -2.2252 -2.2251 -2.1480 -2.1478 2.5438 2.5445 2.9369 2.9369 3.3609 3.3613 7.6456 7.6487 8.6699 8.6726 15.2751 15.2759 19.0465 19.0490 20.4897 20.4899 k = 0.0000 0.0000 0.0399 ( 1591 PWs) bands (ev): -72.8828 -72.8828 -43.2743 -43.2743 -37.0637 -37.0637 -36.8805 -36.8805 -16.4309 -16.4305 -14.8207 -14.8202 -2.2256 -2.2255 -2.1488 -2.1486 2.5585 2.5591 2.9372 2.9373 3.3598 3.3601 7.6397 7.6423 8.6528 8.6550 15.2935 15.2942 19.0280 19.0300 20.4758 20.4759 k = 0.0000 0.0000 0.0299 ( 1599 PWs) bands (ev): -72.8828 -72.8828 -43.2743 -43.2743 -37.0638 -37.0638 -36.8806 -36.8806 -16.4336 -16.4333 -14.8179 -14.8175 -2.2261 -2.2261 -2.1497 -2.1496 2.5701 2.5705 2.9374 2.9375 3.3588 3.3591 7.6347 7.6367 8.6397 8.6414 15.3078 15.3083 19.0136 19.0152 20.4648 20.4649 k = 0.0000 0.0000 0.0199 ( 1599 PWs) bands (ev): -72.8828 -72.8828 -43.2743 -43.2743 -37.0638 -37.0638 -36.8806 -36.8806 -16.4355 -16.4353 -14.8158 -14.8156 -2.2264 -2.2263 -2.1501 -2.1501 2.5785 2.5788 2.9377 2.9377 3.3582 3.3584 7.6314 7.6327 8.6305 8.6316 15.3181 15.3184 19.0036 19.0047 20.4570 20.4571 k = 0.0000 0.0000 0.0100 ( 1595 PWs) bands (ev): -72.8828 -72.8828 -43.2743 -43.2743 -37.0638 -37.0638 -36.8805 -36.8805 -16.4366 -16.4365 -14.8145 -14.8144 -2.2264 -2.2264 -2.1503 -2.1503 2.5836 2.5837 2.9378 2.9378 3.3579 3.3580 7.6295 7.6302 8.6251 8.6256 15.3242 15.3244 18.9978 18.9983 20.4523 20.4524 k = 0.0000 0.0000 0.0000 ( 1591 PWs) bands (ev): -72.8827 -72.8827 -43.2741 -43.2741 -37.0637 -37.0637 -36.8805 -36.8805 -16.4369 -16.4369 -14.8140 -14.8140 -2.2265 -2.2265 -2.1504 -2.1504 2.5854 2.5854 2.9378 2.9378 3.3579 3.3579 7.6293 7.6293 8.6235 8.6235 15.3264 15.3264 18.9961 18.9961 20.4508 20.4508 k = 0.0000 0.0000 0.0000 ( 1591 PWs) bands (ev): -72.8827 -72.8827 -43.2741 -43.2741 -37.0637 -37.0637 -36.8805 -36.8805 -16.4369 -16.4369 -14.8140 -14.8140 -2.2265 -2.2265 -2.1504 -2.1504 2.5854 2.5854 2.9378 2.9378 3.3579 3.3579 7.6293 7.6293 8.6235 8.6235 15.3264 15.3264 18.9961 18.9961 20.4508 20.4508 k =-0.0088 0.0050 0.0000 ( 1595 PWs) bands (ev): -72.8828 -72.8828 -43.2743 -43.2743 -37.0638 -37.0638 -36.8806 -36.8806 -16.4365 -16.4365 -14.8140 -14.8140 -2.2264 -2.2264 -2.1503 -2.1503 2.5852 2.5852 2.9377 2.9377 3.3568 3.3568 7.6226 7.6226 8.6310 8.6310 15.3277 15.3277 18.9962 18.9962 20.4328 20.4328 k =-0.0175 0.0100 0.0000 ( 1591 PWs) bands (ev): -72.8828 -72.8828 -43.2744 -43.2744 -37.0637 -37.0637 -36.8805 -36.8805 -16.4354 -16.4354 -14.8140 -14.8140 -2.2260 -2.2260 -2.1498 -2.1498 2.5849 2.5849 2.9374 2.9374 3.3537 3.3537 7.6039 7.6039 8.6529 8.6529 15.3315 15.3315 18.9970 18.9970 20.3802 20.3802 k =-0.0263 0.0150 0.0000 ( 1595 PWs) bands (ev): -72.8828 -72.8828 -43.2746 -43.2746 -37.0638 -37.0638 -36.8806 -36.8806 -16.4335 -16.4335 -14.8141 -14.8141 -2.2254 -2.2254 -2.1494 -2.1494 2.5844 2.5844 2.9369 2.9369 3.3485 3.3485 7.5740 7.5740 8.6877 8.6877 15.3380 15.3380 18.9981 18.9981 20.2967 20.2967 k =-0.0351 0.0200 0.0000 ( 1595 PWs) bands (ev): -72.8828 -72.8828 -43.2748 -43.2748 -37.0638 -37.0638 -36.8806 -36.8806 -16.4308 -16.4308 -14.8141 -14.8141 -2.2246 -2.2246 -2.1487 -2.1487 2.5837 2.5837 2.9362 2.9362 3.3413 3.3413 7.5352 7.5352 8.7335 8.7335 15.3469 15.3469 18.9997 18.9997 20.1875 20.1875 k =-0.0439 0.0250 0.0000 ( 1591 PWs) bands (ev): -72.8828 -72.8828 -43.2751 -43.2751 -37.0638 -37.0638 -36.8806 -36.8806 -16.4274 -16.4274 -14.8142 -14.8142 -2.2234 -2.2234 -2.1478 -2.1478 2.5829 2.5829 2.9353 2.9353 3.3321 3.3321 7.4896 7.4896 8.7880 8.7880 15.3583 15.3583 19.0018 19.0018 20.0579 20.0579 k =-0.0526 0.0300 0.0000 ( 1601 PWs) bands (ev): -72.8829 -72.8829 -43.2757 -43.2757 -37.0639 -37.0639 -36.8807 -36.8807 -16.4233 -16.4233 -14.8144 -14.8144 -2.2223 -2.2223 -2.1469 -2.1469 2.5818 2.5818 2.9341 2.9341 3.3207 3.3207 7.4384 7.4384 8.8495 8.8495 15.3719 15.3719 19.0043 19.0043 19.9123 19.9123 k =-0.0614 0.0350 0.0000 ( 1601 PWs) bands (ev): -72.8829 -72.8829 -43.2761 -43.2761 -37.0639 -37.0639 -36.8808 -36.8808 -16.4184 -16.4184 -14.8146 -14.8146 -2.2208 -2.2208 -2.1456 -2.1456 2.5805 2.5805 2.9328 2.9328 3.3076 3.3076 7.3841 7.3841 8.9166 8.9166 15.3878 15.3878 19.0072 19.0072 19.7556 19.7556 k =-0.0702 0.0400 0.0000 ( 1601 PWs) bands (ev): -72.8829 -72.8829 -43.2766 -43.2766 -37.0640 -37.0640 -36.8808 -36.8808 -16.4128 -16.4128 -14.8147 -14.8147 -2.2191 -2.2191 -2.1442 -2.1442 2.5790 2.5790 2.9313 2.9313 3.2925 3.2925 7.3273 7.3273 8.9881 8.9881 15.4057 15.4057 19.0107 19.0107 19.5907 19.5907 k =-0.0789 0.0450 0.0000 ( 1599 PWs) bands (ev): -72.8828 -72.8828 -43.2771 -43.2771 -37.0640 -37.0640 -36.8809 -36.8809 -16.4065 -16.4065 -14.8149 -14.8149 -2.2171 -2.2171 -2.1425 -2.1425 2.5774 2.5774 2.9296 2.9296 3.2756 3.2756 7.2691 7.2691 9.0631 9.0631 15.4255 15.4255 19.0146 19.0146 19.4202 19.4202 k =-0.0877 0.0500 0.0000 ( 1599 PWs) bands (ev): -72.8828 -72.8828 -43.2777 -43.2777 -37.0641 -37.0641 -36.8810 -36.8810 -16.3995 -16.3995 -14.8151 -14.8151 -2.2150 -2.2150 -2.1408 -2.1408 2.5756 2.5756 2.9277 2.9277 3.2569 3.2569 7.2098 7.2098 9.1409 9.1409 15.4470 15.4470 19.0190 19.0190 19.2463 19.2463 k =-0.0965 0.0550 0.0000 ( 1595 PWs) bands (ev): -72.8827 -72.8827 -43.2781 -43.2781 -37.0641 -37.0641 -36.8810 -36.8810 -16.3918 -16.3918 -14.8153 -14.8153 -2.2126 -2.2126 -2.1388 -2.1388 2.5736 2.5736 2.9257 2.9257 3.2366 3.2366 7.1504 7.1504 9.2209 9.2209 15.4698 15.4698 19.0237 19.0237 19.0706 19.0706 k =-0.1053 0.0599 0.0000 ( 1587 PWs) bands (ev): -72.8825 -72.8825 -43.2786 -43.2786 -37.0642 -37.0642 -36.8811 -36.8811 -16.3834 -16.3834 -14.8154 -14.8154 -2.2099 -2.2099 -2.1367 -2.1367 2.5714 2.5714 2.9235 2.9235 3.2146 3.2146 7.0911 7.0911 9.3028 9.3028 15.4938 15.4938 18.8946 18.8946 19.0291 19.0291 k =-0.1140 0.0649 0.0000 ( 1591 PWs) bands (ev): -72.8825 -72.8825 -43.2796 -43.2796 -37.0643 -37.0643 -36.8812 -36.8812 -16.3745 -16.3745 -14.8157 -14.8157 -2.2073 -2.2073 -2.1344 -2.1344 2.5690 2.5690 2.9210 2.9210 3.1910 3.1910 7.0315 7.0315 9.3857 9.3857 15.5186 15.5186 18.7192 18.7192 19.0347 19.0347 k =-0.1228 0.0699 0.0000 ( 1583 PWs) bands (ev): -72.8824 -72.8824 -43.2802 -43.2802 -37.0643 -37.0643 -36.8812 -36.8812 -16.3649 -16.3649 -14.8159 -14.8159 -2.2041 -2.2041 -2.1319 -2.1319 2.5665 2.5665 2.9185 2.9185 3.1661 3.1661 6.9733 6.9733 9.4701 9.4701 15.5437 15.5437 18.5456 18.5456 19.0409 19.0409 k =-0.1316 0.0749 0.0000 ( 1583 PWs) bands (ev): -72.8824 -72.8824 -43.2811 -43.2811 -37.0644 -37.0644 -36.8813 -36.8813 -16.3547 -16.3547 -14.8163 -14.8163 -2.2011 -2.2011 -2.1293 -2.1293 2.5638 2.5638 2.9158 2.9158 3.1396 3.1396 6.9154 6.9154 9.5551 9.5551 15.5687 15.5687 18.3745 18.3745 19.0475 19.0475 k =-0.1404 0.0799 0.0000 ( 1587 PWs) bands (ev): -72.8823 -72.8823 -43.2820 -43.2820 -37.0645 -37.0645 -36.8815 -36.8815 -16.3439 -16.3439 -14.8168 -14.8168 -2.1980 -2.1980 -2.1266 -2.1266 2.5609 2.5609 2.9128 2.9128 3.1119 3.1119 6.8585 6.8585 9.6408 9.6408 15.5930 15.5930 18.2069 18.2069 19.0546 19.0546 k =-0.1491 0.0849 0.0000 ( 1587 PWs) bands (ev): -72.8822 -72.8822 -43.2829 -43.2829 -37.0646 -37.0646 -36.8816 -36.8816 -16.3326 -16.3326 -14.8172 -14.8172 -2.1946 -2.1946 -2.1238 -2.1238 2.5579 2.5579 2.9097 2.9097 3.0831 3.0831 6.8027 6.8027 9.7269 9.7269 15.6159 15.6159 18.0438 18.0438 19.0620 19.0620 k =-0.1579 0.0899 0.0000 ( 1583 PWs) bands (ev): -72.8821 -72.8821 -43.2837 -43.2837 -37.0647 -37.0647 -36.8817 -36.8817 -16.3208 -16.3208 -14.8177 -14.8177 -2.1911 -2.1911 -2.1208 -2.1208 2.5548 2.5548 2.9065 2.9065 3.0532 3.0532 6.7484 6.7484 9.8136 9.8136 15.6367 15.6367 17.8863 17.8863 19.0700 19.0700 k =-0.1667 0.0949 0.0000 ( 1597 PWs) bands (ev): -72.8822 -72.8822 -43.2851 -43.2851 -37.0649 -37.0649 -36.8820 -36.8820 -16.3085 -16.3085 -14.8184 -14.8184 -2.1877 -2.1877 -2.1181 -2.1181 2.5514 2.5514 2.9029 2.9029 3.0223 3.0223 6.6945 6.6945 9.8997 9.8997 15.6541 15.6541 17.7350 17.7350 19.0782 19.0782 k =-0.1754 0.0999 0.0000 ( 1597 PWs) bands (ev): -72.8821 -72.8821 -43.2861 -43.2861 -37.0651 -37.0651 -36.8821 -36.8821 -16.2958 -16.2958 -14.8191 -14.8191 -2.1840 -2.1840 -2.1148 -2.1148 2.5480 2.5480 2.8989 2.8989 2.9910 2.9910 6.6427 6.6427 9.9863 9.9863 15.6671 15.6671 17.5917 17.5917 19.0870 19.0870 k =-0.1842 0.1049 0.0000 ( 1597 PWs) bands (ev): -72.8820 -72.8820 -43.2871 -43.2871 -37.0652 -37.0652 -36.8823 -36.8823 -16.2826 -16.2826 -14.8198 -14.8198 -2.1801 -2.1801 -2.1115 -2.1115 2.5445 2.5445 2.8940 2.8940 2.9596 2.9596 6.5922 6.5922 10.0728 10.0728 15.6743 15.6743 17.4576 17.4576 19.0961 19.0961 k =-0.1930 0.1099 0.0000 ( 1601 PWs) bands (ev): -72.8820 -72.8820 -43.2884 -43.2884 -37.0653 -37.0653 -36.8824 -36.8824 -16.2690 -16.2690 -14.8206 -14.8206 -2.1763 -2.1763 -2.1082 -2.1082 2.5408 2.5408 2.8866 2.8866 2.9299 2.9299 6.5431 6.5431 10.1588 10.1588 15.6739 15.6739 17.3344 17.3344 19.1057 19.1057 k =-0.2018 0.1149 0.0000 ( 1601 PWs) bands (ev): -72.8819 -72.8819 -43.2895 -43.2895 -37.0654 -37.0654 -36.8826 -36.8826 -16.2551 -16.2551 -14.8214 -14.8214 -2.1723 -2.1723 -2.1047 -2.1047 2.5370 2.5370 2.8714 2.8714 2.9075 2.9075 6.4957 6.4957 10.2447 10.2447 15.6641 15.6641 17.2239 17.2239 19.1156 19.1156 k =-0.2105 0.1199 0.0000 ( 1603 PWs) bands (ev): -72.8819 -72.8819 -43.2908 -43.2908 -37.0656 -37.0656 -36.8827 -36.8827 -16.2409 -16.2409 -14.8224 -14.8224 -2.1683 -2.1683 -2.1011 -2.1011 2.5332 2.5332 2.8444 2.8444 2.8962 2.8962 6.4496 6.4496 10.3301 10.3301 15.6430 15.6430 17.1278 17.1278 19.1260 19.1260 k =-0.2193 0.1249 0.0000 ( 1603 PWs) bands (ev): -72.8819 -72.8819 -43.2919 -43.2919 -37.0657 -37.0657 -36.8828 -36.8828 -16.2264 -16.2264 -14.8234 -14.8234 -2.1642 -2.1642 -2.0975 -2.0975 2.5292 2.5292 2.8121 2.8121 2.8900 2.8900 6.4053 6.4053 10.4150 10.4150 15.6094 15.6094 17.0474 17.0474 19.1366 19.1366 k =-0.2281 0.1299 0.0000 ( 1611 PWs) bands (ev): -72.8819 -72.8819 -43.2933 -43.2933 -37.0659 -37.0659 -36.8831 -36.8831 -16.2116 -16.2116 -14.8244 -14.8244 -2.1602 -2.1602 -2.0939 -2.0939 2.5250 2.5250 2.7779 2.7779 2.8852 2.8852 6.3625 6.3625 10.4992 10.4992 15.5624 15.5624 16.9833 16.9833 19.1476 19.1476 k =-0.2368 0.1349 0.0000 ( 1611 PWs) bands (ev): -72.8818 -72.8818 -43.2944 -43.2944 -37.0661 -37.0661 -36.8832 -36.8832 -16.1967 -16.1967 -14.8256 -14.8256 -2.1561 -2.1561 -2.0902 -2.0902 2.5209 2.5209 2.7431 2.7431 2.8811 2.8811 6.3214 6.3214 10.5828 10.5828 15.5023 15.5023 16.9354 16.9354 19.1589 19.1589 k =-0.2456 0.1399 0.0000 ( 1615 PWs) bands (ev): -72.8817 -72.8817 -43.2957 -43.2957 -37.0662 -37.0662 -36.8834 -36.8834 -16.1815 -16.1815 -14.8268 -14.8268 -2.1519 -2.1519 -2.0865 -2.0865 2.5166 2.5166 2.7079 2.7079 2.8772 2.8772 6.2818 6.2818 10.6654 10.6654 15.4301 15.4301 16.9023 16.9023 19.1705 19.1705 k =-0.2544 0.1449 0.0000 ( 1615 PWs) bands (ev): -72.8816 -72.8816 -43.2969 -43.2969 -37.0664 -37.0664 -36.8835 -36.8835 -16.1663 -16.1663 -14.8281 -14.8281 -2.1477 -2.1477 -2.0827 -2.0827 2.5121 2.5121 2.6729 2.6729 2.8734 2.8734 6.2440 6.2440 10.7473 10.7473 15.3476 15.3476 16.8821 16.8821 19.1823 19.1823 k =-0.2632 0.1499 0.0000 ( 1615 PWs) bands (ev): -72.8816 -72.8816 -43.2981 -43.2981 -37.0665 -37.0665 -36.8837 -36.8837 -16.1510 -16.1510 -14.8294 -14.8294 -2.1435 -2.1435 -2.0789 -2.0789 2.5075 2.5075 2.6380 2.6380 2.8698 2.8698 6.2078 6.2078 10.8284 10.8284 15.2570 15.2570 16.8727 16.8727 19.1945 19.1945 k =-0.2719 0.1549 0.0000 ( 1615 PWs) bands (ev): -72.8815 -72.8815 -43.2992 -43.2992 -37.0666 -37.0666 -36.8838 -36.8838 -16.1356 -16.1356 -14.8308 -14.8308 -2.1393 -2.1393 -2.0751 -2.0751 2.5026 2.5026 2.6037 2.6037 2.8662 2.8662 6.1732 6.1732 10.9084 10.9084 15.1602 15.1602 16.8719 16.8719 19.2068 19.2068 k =-0.2807 0.1599 0.0000 ( 1611 PWs) bands (ev): -72.8814 -72.8814 -43.3003 -43.3003 -37.0668 -37.0668 -36.8839 -36.8839 -16.1203 -16.1203 -14.8323 -14.8323 -2.1350 -2.1350 -2.0713 -2.0713 2.4970 2.4970 2.5705 2.5705 2.8627 2.8627 6.1403 6.1403 10.9875 10.9875 15.0593 15.0593 16.8777 16.8777 19.2193 19.2193 k =-0.2895 0.1649 0.0000 ( 1609 PWs) bands (ev): -72.8813 -72.8813 -43.3014 -43.3014 -37.0669 -37.0669 -36.8840 -36.8840 -16.1050 -16.1050 -14.8338 -14.8338 -2.1308 -2.1308 -2.0676 -2.0676 2.4895 2.4895 2.5394 2.5394 2.8594 2.8594 6.1089 6.1089 11.0653 11.0653 14.9556 14.9556 16.8883 16.8883 19.2318 19.2318 k =-0.2982 0.1698 0.0000 ( 1605 PWs) bands (ev): -72.8812 -72.8812 -43.3025 -43.3025 -37.0670 -37.0670 -36.8841 -36.8841 -16.0898 -16.0898 -14.8354 -14.8354 -2.1266 -2.1266 -2.0638 -2.0638 2.4768 2.4768 2.5143 2.5143 2.8561 2.8561 6.0791 6.0791 11.1421 11.1421 14.8507 14.8507 16.9025 16.9025 19.2445 19.2445 k =-0.3070 0.1748 0.0000 ( 1601 PWs) bands (ev): -72.8811 -72.8811 -43.3036 -43.3036 -37.0671 -37.0671 -36.8842 -36.8842 -16.0748 -16.0748 -14.8370 -14.8370 -2.1225 -2.1225 -2.0600 -2.0600 2.4542 2.4542 2.4997 2.4997 2.8529 2.8529 6.0510 6.0510 11.2177 11.2177 14.7453 14.7453 16.9191 16.9191 19.2574 19.2574 k =-0.3158 0.1798 0.0000 ( 1605 PWs) bands (ev): -72.8811 -72.8811 -43.3047 -43.3047 -37.0673 -37.0673 -36.8844 -36.8844 -16.0600 -16.0600 -14.8388 -14.8388 -2.1187 -2.1187 -2.0565 -2.0565 2.4257 2.4257 2.4918 2.4918 2.8497 2.8497 6.0241 6.0241 11.2916 11.2916 14.6404 14.6404 16.9372 16.9372 19.2702 19.2702 k =-0.3246 0.1848 0.0000 ( 1605 PWs) bands (ev): -72.8810 -72.8810 -43.3058 -43.3058 -37.0674 -37.0674 -36.8845 -36.8845 -16.0454 -16.0454 -14.8406 -14.8406 -2.1149 -2.1149 -2.0530 -2.0530 2.3958 2.3958 2.4862 2.4862 2.8466 2.8466 5.9988 5.9988 11.3644 11.3644 14.5365 14.5365 16.9561 16.9561 19.2829 19.2829 k =-0.3333 0.1898 0.0000 ( 1603 PWs) bands (ev): -72.8809 -72.8809 -43.3068 -43.3068 -37.0675 -37.0675 -36.8846 -36.8846 -16.0312 -16.0312 -14.8423 -14.8423 -2.1112 -2.1112 -2.0496 -2.0496 2.3661 2.3661 2.4815 2.4815 2.8436 2.8436 5.9750 5.9750 11.4360 11.4360 14.4342 14.4342 16.9755 16.9755 19.2956 19.2956 k =-0.3421 0.1948 0.0000 ( 1605 PWs) bands (ev): -72.8809 -72.8809 -43.3078 -43.3078 -37.0676 -37.0676 -36.8847 -36.8847 -16.0173 -16.0173 -14.8442 -14.8442 -2.1076 -2.1076 -2.0462 -2.0462 2.3370 2.3370 2.4772 2.4772 2.8407 2.8407 5.9526 5.9526 11.5062 11.5062 14.3338 14.3338 16.9947 16.9947 19.3081 19.3081 k =-0.3509 0.1998 0.0000 ( 1599 PWs) bands (ev): -72.8808 -72.8808 -43.3086 -43.3086 -37.0677 -37.0677 -36.8848 -36.8848 -16.0038 -16.0038 -14.8460 -14.8460 -2.1041 -2.1041 -2.0429 -2.0429 2.3089 2.3089 2.4733 2.4733 2.8380 2.8380 5.9319 5.9319 11.5751 11.5751 14.2356 14.2356 17.0136 17.0136 19.3205 19.3205 k =-0.3596 0.2048 0.0000 ( 1601 PWs) bands (ev): -72.8807 -72.8807 -43.3096 -43.3096 -37.0679 -37.0679 -36.8849 -36.8849 -15.9907 -15.9907 -14.8479 -14.8479 -2.1008 -2.1008 -2.0398 -2.0398 2.2818 2.2818 2.4696 2.4696 2.8354 2.8354 5.9123 5.9123 11.6422 11.6422 14.1400 14.1400 17.0318 17.0318 19.3325 19.3325 k =-0.3684 0.2098 0.0000 ( 1597 PWs) bands (ev): -72.8807 -72.8807 -43.3104 -43.3104 -37.0680 -37.0680 -36.8850 -36.8850 -15.9781 -15.9781 -14.8497 -14.8497 -2.0976 -2.0976 -2.0368 -2.0368 2.2559 2.2559 2.4661 2.4661 2.8330 2.8330 5.8942 5.8942 11.7082 11.7082 14.0470 14.0470 17.0492 17.0492 19.3444 19.3444 k =-0.3772 0.2148 0.0000 ( 1597 PWs) bands (ev): -72.8806 -72.8806 -43.3112 -43.3112 -37.0681 -37.0681 -36.8851 -36.8851 -15.9661 -15.9661 -14.8515 -14.8515 -2.0946 -2.0946 -2.0340 -2.0340 2.2312 2.2312 2.4627 2.4627 2.8306 2.8306 5.8773 5.8773 11.7726 11.7726 13.9569 13.9569 17.0655 17.0655 19.3557 19.3557 k =-0.3860 0.2198 0.0000 ( 1597 PWs) bands (ev): -72.8806 -72.8806 -43.3120 -43.3120 -37.0682 -37.0682 -36.8852 -36.8852 -15.9547 -15.9547 -14.8533 -14.8533 -2.0918 -2.0918 -2.0313 -2.0313 2.2080 2.2080 2.4596 2.4596 2.8284 2.8284 5.8618 5.8618 11.8354 11.8354 13.8697 13.8697 17.0808 17.0808 19.3666 19.3666 k =-0.3947 0.2248 0.0000 ( 1597 PWs) bands (ev): -72.8805 -72.8805 -43.3126 -43.3126 -37.0683 -37.0683 -36.8853 -36.8853 -15.9438 -15.9438 -14.8549 -14.8549 -2.0891 -2.0891 -2.0286 -2.0286 2.1862 2.1862 2.4566 2.4566 2.8263 2.8263 5.8476 5.8476 11.8968 11.8968 13.7858 13.7858 17.0949 17.0949 19.3770 19.3770 k =-0.4035 0.2298 0.0000 ( 1596 PWs) bands (ev): -72.8804 -72.8804 -43.3132 -43.3132 -37.0684 -37.0684 -36.8854 -36.8854 -15.9337 -15.9337 -14.8566 -14.8566 -2.0866 -2.0866 -2.0263 -2.0263 2.1659 2.1659 2.4539 2.4539 2.8244 2.8244 5.8347 5.8347 11.9565 11.9565 13.7052 13.7052 17.1079 17.1079 19.3869 19.3869 k =-0.4123 0.2348 0.0000 ( 1600 PWs) bands (ev): -72.8803 -72.8803 -43.3139 -43.3139 -37.0685 -37.0685 -36.8855 -36.8855 -15.9243 -15.9243 -14.8582 -14.8582 -2.0845 -2.0845 -2.0243 -2.0243 2.1472 2.1472 2.4513 2.4513 2.8226 2.8226 5.8229 5.8229 12.0142 12.0142 13.6280 13.6280 17.1196 17.1196 19.3960 19.3960 k =-0.4211 0.2398 0.0000 ( 1600 PWs) bands (ev): -72.8803 -72.8803 -43.3145 -43.3145 -37.0686 -37.0686 -36.8856 -36.8856 -15.9156 -15.9156 -14.8597 -14.8597 -2.0824 -2.0824 -2.0223 -2.0223 2.1301 2.1301 2.4490 2.4490 2.8209 2.8209 5.8123 5.8123 12.0698 12.0698 13.5545 13.5545 17.1302 17.1302 19.4047 19.4047 k =-0.4298 0.2448 0.0000 ( 1596 PWs) bands (ev): -72.8803 -72.8803 -43.3149 -43.3149 -37.0686 -37.0686 -36.8856 -36.8856 -15.9078 -15.9078 -14.8611 -14.8611 -2.0804 -2.0804 -2.0204 -2.0204 2.1147 2.1147 2.4469 2.4469 2.8195 2.8195 5.8030 5.8030 12.1233 12.1233 13.4853 13.4853 17.1396 17.1396 19.4126 19.4126 k =-0.4386 0.2498 0.0000 ( 1596 PWs) bands (ev): -72.8802 -72.8802 -43.3153 -43.3153 -37.0687 -37.0687 -36.8856 -36.8856 -15.9008 -15.9008 -14.8623 -14.8623 -2.0788 -2.0788 -2.0188 -2.0188 2.1010 2.1010 2.4451 2.4451 2.8182 2.8182 5.7948 5.7948 12.1741 12.1741 13.4204 13.4204 17.1478 17.1478 19.4196 19.4196 k =-0.4474 0.2548 0.0000 ( 1596 PWs) bands (ev): -72.8802 -72.8802 -43.3157 -43.3157 -37.0687 -37.0687 -36.8857 -36.8857 -15.8946 -15.8946 -14.8634 -14.8634 -2.0773 -2.0773 -2.0174 -2.0174 2.0890 2.0890 2.4435 2.4435 2.8170 2.8170 5.7877 5.7877 12.2217 12.2217 13.3605 13.3605 17.1548 17.1548 19.4258 19.4258 k =-0.4561 0.2598 0.0000 ( 1604 PWs) bands (ev): -72.8802 -72.8802 -43.3162 -43.3162 -37.0689 -37.0689 -36.8858 -36.8858 -15.8894 -15.8894 -14.8644 -14.8644 -2.0762 -2.0762 -2.0163 -2.0163 2.0788 2.0788 2.4420 2.4420 2.8160 2.8160 5.7817 5.7817 12.2653 12.2653 13.3063 13.3063 17.1607 17.1607 19.4310 19.4310 k =-0.4649 0.2648 0.0000 ( 1604 PWs) bands (ev): -72.8802 -72.8802 -43.3165 -43.3165 -37.0689 -37.0689 -36.8858 -36.8858 -15.8850 -15.8850 -14.8653 -14.8653 -2.0752 -2.0752 -2.0153 -2.0153 2.0704 2.0704 2.4409 2.4409 2.8152 2.8152 5.7768 5.7768 12.3041 12.3041 13.2590 13.2590 17.1655 17.1655 19.4354 19.4354 k =-0.4737 0.2698 0.0000 ( 1604 PWs) bands (ev): -72.8802 -72.8802 -43.3167 -43.3167 -37.0690 -37.0690 -36.8859 -36.8859 -15.8816 -15.8816 -14.8659 -14.8659 -2.0744 -2.0744 -2.0146 -2.0146 2.0639 2.0639 2.4400 2.4400 2.8146 2.8146 5.7730 5.7730 12.3366 12.3366 13.2197 13.2197 17.1692 17.1692 19.4389 19.4389 k =-0.4825 0.2748 0.0000 ( 1608 PWs) bands (ev): -72.8803 -72.8803 -43.3170 -43.3170 -37.0690 -37.0690 -36.8859 -36.8859 -15.8792 -15.8792 -14.8664 -14.8664 -2.0738 -2.0738 -2.0140 -2.0140 2.0592 2.0592 2.4394 2.4394 2.8141 2.8141 5.7702 5.7702 12.3614 12.3614 13.1900 13.1900 17.1718 17.1718 19.4414 19.4414 k =-0.4912 0.2798 0.0000 ( 1608 PWs) bands (ev): -72.8803 -72.8803 -43.3171 -43.3171 -37.0690 -37.0690 -36.8859 -36.8859 -15.8777 -15.8777 -14.8667 -14.8667 -2.0734 -2.0734 -2.0137 -2.0137 2.0564 2.0564 2.4390 2.4390 2.8139 2.8139 5.7686 5.7686 12.3771 12.3771 13.1715 13.1715 17.1734 17.1734 19.4429 19.4429 k =-0.5000 0.2847 0.0000 ( 1604 PWs) bands (ev): -72.8802 -72.8802 -43.3170 -43.3170 -37.0690 -37.0690 -36.8859 -36.8859 -15.8772 -15.8772 -14.8667 -14.8667 -2.0733 -2.0733 -2.0134 -2.0134 2.0555 2.0555 2.4389 2.4389 2.8138 2.8138 5.7683 5.7683 12.3827 12.3827 13.1652 13.1652 17.1740 17.1740 19.4435 19.4435 k =-0.5000 0.2847 0.0000 ( 1604 PWs) bands (ev): -72.8802 -72.8802 -43.3170 -43.3170 -37.0690 -37.0690 -36.8859 -36.8859 -15.8772 -15.8772 -14.8667 -14.8667 -2.0733 -2.0733 -2.0134 -2.0134 2.0555 2.0555 2.4389 2.4389 2.8138 2.8138 5.7683 5.7683 12.3827 12.3827 13.1652 13.1652 17.1740 17.1740 19.4435 19.4435 k =-0.4950 0.2935-0.0000 ( 1604 PWs) bands (ev): -72.8802 -72.8802 -43.3170 -43.3170 -37.0690 -37.0690 -36.8859 -36.8859 -15.8771 -15.8771 -14.8668 -14.8667 -2.0739 -2.0738 -2.0135 -2.0135 2.0560 2.0563 2.4388 2.4389 2.8120 2.8124 5.7693 5.7694 12.3841 12.3847 13.1657 13.1657 17.1742 17.1743 19.4419 19.4419 k =-0.4901 0.3022-0.0000 ( 1604 PWs) bands (ev): -72.8802 -72.8802 -43.3170 -43.3170 -37.0690 -37.0690 -36.8859 -36.8859 -15.8768 -15.8768 -14.8669 -14.8668 -2.0757 -2.0756 -2.0138 -2.0138 2.0578 2.0584 2.4387 2.4388 2.8069 2.8079 5.7725 5.7728 12.3891 12.3904 13.1672 13.1673 17.1749 17.1752 19.4370 19.4370 k =-0.4851 0.3109-0.0000 ( 1610 PWs) bands (ev): -72.8802 -72.8802 -43.3169 -43.3169 -37.0691 -37.0691 -36.8860 -36.8860 -15.8763 -15.8763 -14.8671 -14.8669 -2.0790 -2.0787 -2.0144 -2.0144 2.0608 2.0619 2.4384 2.4385 2.7987 2.8001 5.7778 5.7782 12.3975 12.3994 13.1696 13.1697 17.1760 17.1764 19.4286 19.4286 k =-0.4801 0.3196-0.0000 ( 1606 PWs) bands (ev): -72.8801 -72.8801 -43.3167 -43.3167 -37.0691 -37.0691 -36.8860 -36.8860 -15.8756 -15.8755 -14.8673 -14.8670 -2.0833 -2.0830 -2.0148 -2.0147 2.0652 2.0666 2.4380 2.4382 2.7874 2.7893 5.7853 5.7859 12.4095 12.4120 13.1730 13.1732 17.1777 17.1783 19.4173 19.4173 k =-0.4752 0.3284-0.0000 ( 1602 PWs) bands (ev): -72.8801 -72.8801 -43.3166 -43.3166 -37.0692 -37.0691 -36.8860 -36.8860 -15.8746 -15.8746 -14.8676 -14.8672 -2.0892 -2.0888 -2.0149 -2.0148 2.0709 2.0727 2.4377 2.4379 2.7732 2.7756 5.7949 5.7956 12.4250 12.4282 13.1773 13.1775 17.1797 17.1804 19.4031 19.4031 k =-0.4702 0.3371-0.0000 ( 1602 PWs) bands (ev): -72.8801 -72.8801 -43.3165 -43.3164 -37.0693 -37.0692 -36.8861 -36.8861 -15.8735 -15.8734 -14.8679 -14.8675 -2.0967 -2.0962 -2.0149 -2.0148 2.0777 2.0799 2.4371 2.4375 2.7560 2.7590 5.8064 5.8073 12.4439 12.4477 13.1824 13.1826 17.1819 17.1828 19.3858 19.3858 k =-0.4652 0.3458-0.0000 ( 1600 PWs) bands (ev): -72.8801 -72.8801 -43.3163 -43.3163 -37.0693 -37.0693 -36.8862 -36.8862 -15.8722 -15.8721 -14.8683 -14.8678 -2.1056 -2.1050 -2.0146 -2.0145 2.0857 2.0884 2.4365 2.4369 2.7362 2.7397 5.8199 5.8209 12.4662 12.4707 13.1882 13.1885 17.1844 17.1855 19.3657 19.3657 k =-0.4603 0.3545-0.0000 ( 1598 PWs) bands (ev): -72.8801 -72.8801 -43.3161 -43.3161 -37.0694 -37.0693 -36.8862 -36.8862 -15.8707 -15.8706 -14.8688 -14.8682 -2.1162 -2.1155 -2.0138 -2.0136 2.0948 2.0981 2.4359 2.4364 2.7137 2.7177 5.8351 5.8364 12.4918 12.4969 13.1948 13.1951 17.1868 17.1881 19.3432 19.3432 k =-0.4553 0.3633-0.0000 ( 1598 PWs) bands (ev): -72.8801 -72.8801 -43.3159 -43.3159 -37.0695 -37.0695 -36.8864 -36.8863 -15.8690 -15.8689 -14.8693 -14.8686 -2.1282 -2.1275 -2.0128 -2.0126 2.1050 2.1089 2.4350 2.4357 2.6888 2.6935 5.8522 5.8536 12.5206 12.5263 13.2019 13.2022 17.1892 17.1906 19.3180 19.3180 k =-0.4503 0.3720-0.0000 ( 1598 PWs) bands (ev): -72.8801 -72.8801 -43.3157 -43.3157 -37.0697 -37.0696 -36.8865 -36.8865 -15.8672 -15.8671 -14.8698 -14.8691 -2.1417 -2.1408 -2.0115 -2.0113 2.1161 2.1208 2.4341 2.4349 2.6617 2.6671 5.8708 5.8724 12.5525 12.5589 13.2094 13.2098 17.1913 17.1929 19.2906 19.2906 k =-0.4453 0.3807-0.0000 ( 1596 PWs) bands (ev): -72.8801 -72.8801 -43.3154 -43.3154 -37.0698 -37.0697 -36.8866 -36.8866 -15.8652 -15.8651 -14.8704 -14.8696 -2.1564 -2.1555 -2.0098 -2.0097 2.1282 2.1337 2.4330 2.4340 2.6326 2.6388 5.8911 5.8928 12.5875 12.5946 13.2173 13.2178 17.1929 17.1947 19.2611 19.2611 k =-0.4404 0.3894-0.0000 ( 1596 PWs) bands (ev): -72.8801 -72.8801 -43.3152 -43.3151 -37.0700 -37.0699 -36.8867 -36.8867 -15.8632 -15.8630 -14.8710 -14.8702 -2.1724 -2.1714 -2.0079 -2.0078 2.1410 2.1475 2.4317 2.4331 2.6018 2.6088 5.9127 5.9147 12.6254 12.6332 13.2254 13.2259 17.1940 17.1960 19.2299 19.2299 k =-0.4354 0.3982-0.0000 ( 1596 PWs) bands (ev): -72.8801 -72.8801 -43.3149 -43.3148 -37.0702 -37.0701 -36.8869 -36.8869 -15.8610 -15.8608 -14.8717 -14.8708 -2.1895 -2.1884 -2.0058 -2.0056 2.1543 2.1622 2.4302 2.4321 2.5695 2.5774 5.9357 5.9379 12.6662 12.6746 13.2337 13.2342 17.1943 17.1966 19.1970 19.1970 k =-0.4304 0.4069-0.0000 ( 1596 PWs) bands (ev): -72.8801 -72.8801 -43.3146 -43.3145 -37.0704 -37.0703 -36.8871 -36.8871 -15.8587 -15.8585 -14.8724 -14.8715 -2.2078 -2.2066 -2.0034 -2.0033 2.1681 2.1777 2.4282 2.4309 2.5363 2.5451 5.9600 5.9623 12.7098 12.7188 13.2419 13.2425 17.1938 17.1962 19.1629 19.1629 k =-0.4255 0.4156-0.0000 ( 1588 PWs) bands (ev): -72.8801 -72.8801 -43.3142 -43.3142 -37.0705 -37.0704 -36.8872 -36.8872 -15.8563 -15.8561 -14.8731 -14.8721 -2.2268 -2.2256 -2.0008 -2.0007 2.1818 2.1937 2.4251 2.4297 2.5032 2.5125 5.9854 5.9880 12.7560 12.7658 13.2501 13.2507 17.1922 17.1949 19.1276 19.1276 k =-0.4205 0.4243-0.0000 ( 1584 PWs) bands (ev): -72.8800 -72.8800 -43.3139 -43.3138 -37.0707 -37.0705 -36.8873 -36.8873 -15.8538 -15.8537 -14.8739 -14.8729 -2.2464 -2.2451 -1.9980 -1.9979 2.1950 2.2100 2.4191 2.4280 2.4722 2.4804 6.0119 6.0147 12.8047 12.8151 13.2580 13.2586 17.1894 17.1924 19.0913 19.0913 k =-0.4155 0.4331-0.0000 ( 1596 PWs) bands (ev): -72.8801 -72.8801 -43.3137 -43.3136 -37.0710 -37.0708 -36.8876 -36.8876 -15.8514 -15.8513 -14.8748 -14.8737 -2.2671 -2.2657 -1.9953 -1.9951 2.2066 2.2259 2.4047 2.4246 2.4494 2.4510 6.0391 6.0421 12.8553 12.8665 13.2653 13.2659 17.1852 17.1884 19.0542 19.0542 k =-0.4106 0.4418-0.0000 ( 1596 PWs) bands (ev): -72.8801 -72.8801 -43.3133 -43.3132 -37.0712 -37.0710 -36.8878 -36.8878 -15.8489 -15.8488 -14.8757 -14.8745 -2.2883 -2.2869 -1.9922 -1.9921 2.2152 2.2404 2.3796 2.4127 2.4333 2.4388 6.0674 6.0707 12.9083 12.9201 13.2724 13.2730 17.1796 17.1831 19.0166 19.0166 k =-0.4056 0.4505-0.0000 ( 1592 PWs) bands (ev): -72.8801 -72.8801 -43.3128 -43.3127 -37.0714 -37.0712 -36.8879 -36.8879 -15.8465 -15.8464 -14.8765 -14.8753 -2.3100 -2.3084 -1.9890 -1.9889 2.2178 2.2501 2.3533 2.3935 2.4289 2.4344 6.0966 6.1001 12.9631 12.9756 13.2790 13.2795 17.1726 17.1763 18.9788 18.9788 k =-0.4006 0.4592-0.0000 ( 1592 PWs) bands (ev): -72.8801 -72.8801 -43.3124 -43.3123 -37.0716 -37.0714 -36.8881 -36.8881 -15.8441 -15.8440 -14.8774 -14.8761 -2.3321 -2.3305 -1.9858 -1.9857 2.2112 2.2469 2.3380 2.3810 2.4270 2.4319 6.1265 6.1302 13.0195 13.0327 13.2851 13.2855 17.1640 17.1681 18.9408 18.9408 k =-0.3957 0.4679-0.0000 ( 1590 PWs) bands (ev): -72.8801 -72.8801 -43.3119 -43.3118 -37.0719 -37.0717 -36.8883 -36.8883 -15.8417 -15.8416 -14.8783 -14.8770 -2.3545 -2.3528 -1.9825 -1.9824 2.1939 2.2254 2.3402 2.3788 2.4258 2.4305 6.1570 6.1610 13.0770 13.0907 13.2911 13.2913 17.1541 17.1585 18.9028 18.9028 k =-0.3907 0.4767-0.0000 ( 1592 PWs) bands (ev): -72.8801 -72.8801 -43.3115 -43.3114 -37.0721 -37.0719 -36.8885 -36.8885 -15.8394 -15.8394 -14.8792 -14.8779 -2.3772 -2.3754 -1.9791 -1.9790 2.1679 2.1930 2.3529 2.3852 2.4251 2.4298 6.1881 6.1923 13.1343 13.1481 13.2976 13.2980 17.1427 17.1474 18.8651 18.8651 k =-0.3857 0.4854-0.0000 ( 1592 PWs) bands (ev): -72.8801 -72.8801 -43.3110 -43.3109 -37.0724 -37.0722 -36.8888 -36.8887 -15.8373 -15.8373 -14.8801 -14.8787 -2.4000 -2.3981 -1.9757 -1.9756 2.1363 2.1562 2.3693 2.3963 2.4257 2.4303 6.2198 6.2243 13.1888 13.2016 13.3070 13.3091 17.1300 17.1351 18.8278 18.8278 k =-0.3808 0.4941-0.0000 ( 1594 PWs) bands (ev): -72.8801 -72.8801 -43.3107 -43.3106 -37.0726 -37.0724 -36.8890 -36.8889 -15.8353 -15.8353 -14.8809 -14.8796 -2.4228 -2.4208 -1.9724 -1.9722 2.1017 2.1178 2.3856 2.4073 2.4301 2.4331 6.2517 6.2564 13.2323 13.2409 13.3270 13.3341 17.1161 17.1216 18.7911 18.7911 k =-0.3758 0.5028-0.0000 ( 1598 PWs) bands (ev): -72.8801 -72.8801 -43.3101 -43.3101 -37.0729 -37.0727 -36.8892 -36.8892 -15.8335 -15.8335 -14.8818 -14.8804 -2.4455 -2.4435 -1.9690 -1.9689 2.0653 2.0788 2.3984 2.4122 2.4406 2.4428 6.2842 6.2892 13.2546 13.2584 13.3678 13.3805 17.1012 17.1070 18.7550 18.7550 k =-0.3708 0.5116-0.0000 ( 1602 PWs) bands (ev): -72.8801 -72.8801 -43.3096 -43.3095 -37.0732 -37.0729 -36.8894 -36.8894 -15.8319 -15.8318 -14.8827 -14.8813 -2.4682 -2.4660 -1.9657 -1.9656 2.0282 2.0396 2.4054 2.4131 2.4549 2.4611 6.3171 6.3223 13.2607 13.2623 13.4241 13.4398 17.0855 17.0917 18.7198 18.7198 k =-0.3659 0.5203-0.0000 ( 1602 PWs) bands (ev): -72.8801 -72.8801 -43.3091 -43.3090 -37.0734 -37.0732 -36.8896 -36.8896 -15.8306 -15.8304 -14.8835 -14.8821 -2.4905 -2.4883 -1.9623 -1.9622 1.9909 2.0008 2.4081 2.4127 2.4741 2.4819 6.3503 6.3558 13.2591 13.2599 13.4870 13.5043 17.0694 17.0759 18.6856 18.6856 k =-0.3609 0.5290-0.0000 ( 1604 PWs) bands (ev): -72.8801 -72.8801 -43.3085 -43.3084 -37.0736 -37.0734 -36.8898 -36.8898 -15.8295 -15.8293 -14.8842 -14.8828 -2.5126 -2.5103 -1.9591 -1.9589 1.9537 1.9625 2.4088 2.4119 2.4957 2.5039 6.3837 6.3895 13.2532 13.2536 13.5528 13.5713 17.0529 17.0599 18.6525 18.6525 k =-0.3559 0.5377-0.0000 ( 1604 PWs) bands (ev): -72.8801 -72.8801 -43.3080 -43.3079 -37.0739 -37.0736 -36.8900 -36.8900 -15.8287 -15.8285 -14.8849 -14.8835 -2.5343 -2.5318 -1.9558 -1.9557 1.9170 1.9249 2.4088 2.4110 2.5185 2.5266 6.4174 6.4234 13.2439 13.2442 13.6202 13.6397 17.0366 17.0439 18.6206 18.6206 k =-0.3510 0.5465-0.0000 ( 1603 PWs) bands (ev): -72.8801 -72.8801 -43.3074 -43.3073 -37.0741 -37.0738 -36.8902 -36.8902 -15.8282 -15.8279 -14.8855 -14.8842 -2.5554 -2.5528 -1.9527 -1.9526 1.8811 1.8881 2.4083 2.4100 2.5421 2.5499 6.4513 6.4576 13.2316 13.2319 13.6888 13.7091 17.0206 17.0284 18.5900 18.5900 k =-0.3460 0.5552-0.0000 ( 1603 PWs) bands (ev): -72.8802 -72.8801 -43.3068 -43.3067 -37.0743 -37.0740 -36.8904 -36.8904 -15.8281 -15.8278 -14.8861 -14.8847 -2.5759 -2.5733 -1.9497 -1.9496 1.8459 1.8524 2.4077 2.4090 2.5660 2.5736 6.4852 6.4918 13.2163 13.2166 13.7579 13.7790 17.0053 17.0135 18.5608 18.5608 k =-0.3410 0.5639-0.0000 ( 1611 PWs) bands (ev): -72.8802 -72.8802 -43.3062 -43.3061 -37.0746 -37.0744 -36.8906 -36.8906 -15.8284 -15.8280 -14.8866 -14.8852 -2.5962 -2.5935 -1.9469 -1.9468 1.8117 1.8176 2.4070 2.4080 2.5902 2.5974 6.5192 6.5260 13.1981 13.1985 13.8273 13.8493 16.9910 16.9996 18.5332 18.5332 k =-0.3360 0.5726-0.0000 ( 1611 PWs) bands (ev): -72.8802 -72.8802 -43.3056 -43.3055 -37.0748 -37.0745 -36.8908 -36.8908 -15.8290 -15.8286 -14.8869 -14.8856 -2.6156 -2.6127 -1.9442 -1.9440 1.7787 1.7842 2.4062 2.4071 2.6145 2.6215 6.5533 6.5604 13.1768 13.1773 13.8970 13.9197 16.9781 16.9871 18.5070 18.5070 k =-0.3311 0.5814-0.0000 ( 1611 PWs) bands (ev): -72.8802 -72.8802 -43.3050 -43.3049 -37.0750 -37.0747 -36.8910 -36.8909 -15.8301 -15.8296 -14.8872 -14.8859 -2.6341 -2.6312 -1.9416 -1.9415 1.7470 1.7521 2.4055 2.4063 2.6389 2.6456 6.5874 6.5947 13.1523 13.1529 13.9666 13.9900 16.9669 16.9763 18.4824 18.4824 k =-0.3311 0.5814-0.0000 ( 1611 PWs) bands (ev): -72.8802 -72.8802 -43.3050 -43.3049 -37.0750 -37.0747 -36.8910 -36.8909 -15.8301 -15.8296 -14.8872 -14.8859 -2.6341 -2.6312 -1.9416 -1.9415 1.7470 1.7521 2.4055 2.4063 2.6389 2.6456 6.5874 6.5947 13.1523 13.1529 13.9666 13.9900 16.9669 16.9763 18.4824 18.4824 k =-0.3311 0.5814 0.0100 ( 1611 PWs) bands (ev): -72.8802 -72.8802 -43.3050 -43.3049 -37.0750 -37.0747 -36.8910 -36.8910 -15.8301 -15.8295 -14.8872 -14.8858 -2.6341 -2.6312 -1.9423 -1.9421 1.7471 1.7522 2.4036 2.4064 2.6394 2.6467 6.5879 6.5952 13.1530 13.1536 13.9682 13.9916 16.9681 16.9774 18.4770 18.4778 k =-0.3311 0.5814 0.0199 ( 1611 PWs) bands (ev): -72.8802 -72.8802 -43.3050 -43.3049 -37.0750 -37.0747 -36.8910 -36.8910 -15.8299 -15.8294 -14.8871 -14.8858 -2.6342 -2.6313 -1.9440 -1.9438 1.7473 1.7526 2.3995 2.4048 2.6409 2.6495 6.5895 6.5968 13.1551 13.1557 13.9728 13.9961 16.9717 16.9810 18.4615 18.4632 k =-0.3311 0.5814 0.0299 ( 1611 PWs) bands (ev): -72.8802 -72.8802 -43.3050 -43.3049 -37.0750 -37.0748 -36.8910 -36.8910 -15.8296 -15.8291 -14.8869 -14.8856 -2.6342 -2.6313 -1.9469 -1.9467 1.7476 1.7531 2.3938 2.4014 2.6436 2.6539 6.5921 6.5994 13.1587 13.1592 13.9804 14.0037 16.9776 16.9868 18.4364 18.4389 k =-0.3311 0.5814 0.0399 ( 1619 PWs) bands (ev): -72.8802 -72.8802 -43.3050 -43.3049 -37.0751 -37.0748 -36.8911 -36.8911 -15.8292 -15.8287 -14.8868 -14.8854 -2.6343 -2.6314 -1.9511 -1.9508 1.7480 1.7537 2.3866 2.3961 2.6475 2.6595 6.5957 6.6028 13.1635 13.1641 13.9910 14.0142 16.9858 16.9950 18.4017 18.4049 k =-0.3311 0.5814 0.0499 ( 1615 PWs) bands (ev): -72.8802 -72.8802 -43.3050 -43.3049 -37.0751 -37.0748 -36.8911 -36.8910 -15.8287 -15.8282 -14.8865 -14.8851 -2.6342 -2.6312 -1.9562 -1.9558 1.7486 1.7546 2.3784 2.3894 2.6525 2.6660 6.6003 6.6074 13.1698 13.1703 14.0047 14.0279 16.9963 17.0055 18.3588 18.3627 k =-0.3311 0.5814 0.0598 ( 1610 PWs) bands (ev): -72.8802 -72.8802 -43.3049 -43.3048 -37.0750 -37.0748 -36.8910 -36.8910 -15.8280 -15.8275 -14.8862 -14.8848 -2.6342 -2.6313 -1.9622 -1.9618 1.7492 1.7555 2.3692 2.3815 2.6585 2.6731 6.6060 6.6130 13.1775 13.1779 14.0216 14.0447 17.0092 17.0183 18.3082 18.3128 k =-0.3311 0.5814 0.0698 ( 1606 PWs) bands (ev): -72.8802 -72.8802 -43.3049 -43.3048 -37.0750 -37.0748 -36.8911 -36.8910 -15.8273 -15.8268 -14.8858 -14.8844 -2.6343 -2.6314 -1.9694 -1.9690 1.7498 1.7565 2.3594 2.3725 2.6653 2.6808 6.6125 6.6194 13.1864 13.1867 14.0414 14.0644 17.0243 17.0333 18.2504 18.2556 k =-0.3311 0.5814 0.0798 ( 1602 PWs) bands (ev): -72.8802 -72.8802 -43.3049 -43.3048 -37.0750 -37.0747 -36.8910 -36.8910 -15.8264 -15.8259 -14.8853 -14.8839 -2.6344 -2.6315 -1.9774 -1.9769 1.7503 1.7575 2.3490 2.3626 2.6727 2.6890 6.6199 6.6266 13.1967 13.1969 14.0643 14.0872 17.0415 17.0504 18.1865 18.1922 k =-0.3311 0.5814 0.0898 ( 1602 PWs) bands (ev): -72.8802 -72.8802 -43.3049 -43.3048 -37.0750 -37.0748 -36.8911 -36.8910 -15.8255 -15.8250 -14.8848 -14.8834 -2.6345 -2.6316 -1.9866 -1.9860 1.7508 1.7585 2.3381 2.3520 2.6806 2.6973 6.6280 6.6346 13.2081 13.2082 14.0902 14.1129 17.0608 17.0696 18.1171 18.1232 k =-0.3311 0.5814 0.0997 ( 1604 PWs) bands (ev): -72.8802 -72.8802 -43.3049 -43.3048 -37.0751 -37.0748 -36.8911 -36.8911 -15.8245 -15.8240 -14.8843 -14.8829 -2.6347 -2.6318 -1.9967 -1.9960 1.7511 1.7593 2.3270 2.3410 2.6889 2.7060 6.6367 6.6431 13.2206 13.2207 14.1191 14.1416 17.0821 17.0907 18.0432 18.0497 k =-0.3311 0.5814 0.1097 ( 1602 PWs) bands (ev): -72.8801 -72.8801 -43.3049 -43.3048 -37.0751 -37.0748 -36.8911 -36.8911 -15.8233 -15.8228 -14.8838 -14.8823 -2.6348 -2.6319 -2.0075 -2.0068 1.7513 1.7601 2.3157 2.3296 2.6976 2.7148 6.6462 6.6525 13.2342 13.2345 14.1510 14.1734 17.1051 17.1135 17.9658 17.9726 k =-0.3311 0.5814 0.1197 ( 1598 PWs) bands (ev): -72.8801 -72.8801 -43.3048 -43.3047 -37.0751 -37.0748 -36.8912 -36.8912 -15.8221 -15.8216 -14.8831 -14.8817 -2.6350 -2.6321 -2.0190 -2.0183 1.7513 1.7607 2.3045 2.3179 2.7065 2.7237 6.6565 6.6625 13.2489 13.2493 14.1860 14.2081 17.1297 17.1379 17.8858 17.8927 k =-0.3311 0.5814 0.1297 ( 1600 PWs) bands (ev): -72.8801 -72.8801 -43.3048 -43.3047 -37.0752 -37.0749 -36.8913 -36.8912 -15.8208 -15.8204 -14.8825 -14.8810 -2.6353 -2.6323 -2.0313 -2.0305 1.7511 1.7610 2.2931 2.3061 2.7157 2.7328 6.6671 6.6729 13.2647 13.2653 14.2238 14.2457 17.1553 17.1634 17.8041 17.8110 k =-0.3311 0.5814 0.1396 ( 1598 PWs) bands (ev): -72.8801 -72.8801 -43.3048 -43.3047 -37.0752 -37.0749 -36.8913 -36.8913 -15.8194 -15.8190 -14.8818 -14.8803 -2.6356 -2.6326 -2.0441 -2.0432 1.7507 1.7611 2.2819 2.2942 2.7250 2.7420 6.6782 6.6839 13.2815 13.2823 14.2645 14.2862 17.1813 17.1891 17.7223 17.7291 k =-0.3311 0.5814 0.1496 ( 1598 PWs) bands (ev): -72.8801 -72.8801 -43.3048 -43.3047 -37.0752 -37.0749 -36.8914 -36.8913 -15.8180 -15.8176 -14.8811 -14.8796 -2.6360 -2.6330 -2.0575 -2.0566 1.7501 1.7610 2.2707 2.2822 2.7345 2.7514 6.6897 6.6951 13.2992 13.3002 14.3080 14.3294 17.2060 17.2136 17.6424 17.6486 k =-0.3311 0.5814 0.1596 ( 1597 PWs) bands (ev): -72.8801 -72.8801 -43.3048 -43.3047 -37.0753 -37.0750 -36.8914 -36.8914 -15.8165 -15.8161 -14.8803 -14.8788 -2.6364 -2.6334 -2.0713 -2.0703 1.7492 1.7607 2.2596 2.2703 2.7442 2.7608 6.7014 6.7066 13.3179 13.3191 14.3543 14.3754 17.2261 17.2335 17.5684 17.5733 k =-0.3311 0.5814 0.1696 ( 1595 PWs) bands (ev): -72.8801 -72.8801 -43.3048 -43.3047 -37.0753 -37.0750 -36.8915 -36.8915 -15.8149 -15.8145 -14.8795 -14.8780 -2.6369 -2.6339 -2.0855 -2.0845 1.7483 1.7602 2.2486 2.2583 2.7540 2.7704 6.7133 6.7183 13.3375 13.3389 14.4031 14.4240 17.2334 17.2414 17.5084 17.5114 k =-0.3311 0.5814 0.1795 ( 1589 PWs) bands (ev): -72.8801 -72.8801 -43.3047 -43.3046 -37.0753 -37.0750 -36.8915 -36.8915 -15.8133 -15.8129 -14.8787 -14.8771 -2.6373 -2.6343 -2.0999 -2.0988 1.7471 1.7594 2.2378 2.2463 2.7639 2.7802 6.7256 6.7303 13.3580 13.3597 14.4546 14.4752 17.2150 17.2248 17.4742 17.4775 k =-0.3311 0.5814 0.1895 ( 1587 PWs) bands (ev): -72.8800 -72.8800 -43.3046 -43.3045 -37.0753 -37.0751 -36.8915 -36.8915 -15.8117 -15.8113 -14.8779 -14.8763 -2.6378 -2.6348 -2.1145 -2.1133 1.7458 1.7585 2.2269 2.2343 2.7739 2.7901 6.7379 6.7423 13.3793 13.3813 14.5084 14.5287 17.1659 17.1773 17.4718 17.4770 k =-0.3311 0.5814 0.1995 ( 1585 PWs) bands (ev): -72.8800 -72.8800 -43.3045 -43.3044 -37.0754 -37.0751 -36.8916 -36.8916 -15.8100 -15.8096 -14.8771 -14.8754 -2.6384 -2.6354 -2.1294 -2.1282 1.7444 1.7574 2.2161 2.2223 2.7840 2.8002 6.7502 6.7544 13.4013 13.4036 14.5646 14.5846 17.0969 17.1088 17.4925 17.4985 k =-0.3311 0.5814 0.2095 ( 1585 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3043 -37.0754 -37.0752 -36.8917 -36.8917 -15.8083 -15.8080 -14.8763 -14.8746 -2.6392 -2.6361 -2.1444 -2.1431 1.7430 1.7563 2.2053 2.2103 2.7942 2.8103 6.7623 6.7663 13.4239 13.4265 14.6228 14.6425 17.0187 17.0308 17.5253 17.5315 k =-0.3311 0.5814 0.2194 ( 1591 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3043 -37.0756 -37.0753 -36.8918 -36.8918 -15.8066 -15.8063 -14.8754 -14.8738 -2.6400 -2.6369 -2.1596 -2.1583 1.7417 1.7551 2.1943 2.1981 2.8043 2.8205 6.7743 6.7780 13.4472 13.4501 14.6830 14.7024 16.9364 16.9487 17.5648 17.5709 k =-0.3311 0.5814 0.2294 ( 1597 PWs) bands (ev): -72.8801 -72.8800 -43.3045 -43.3044 -37.0757 -37.0754 -36.8919 -36.8919 -15.8049 -15.8046 -14.8747 -14.8730 -2.6408 -2.6377 -2.1746 -2.1733 1.7404 1.7540 2.1834 2.1859 2.8145 2.8308 6.7859 6.7895 13.4710 13.4742 14.7449 14.7640 16.8529 16.8653 17.6084 17.6143 k =-0.3311 0.5814 0.2394 ( 1597 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3043 -37.0757 -37.0754 -36.8920 -36.8920 -15.8032 -15.8029 -14.8738 -14.8721 -2.6415 -2.6384 -2.1894 -2.1881 1.7394 1.7531 2.1723 2.1736 2.8248 2.8413 6.7976 6.8009 13.4956 13.4992 14.8085 14.8273 16.7695 16.7819 17.6550 17.6607 k =-0.3311 0.5814 0.2494 ( 1597 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3043 -37.0758 -37.0755 -36.8921 -36.8921 -15.8015 -15.8012 -14.8730 -14.8713 -2.6423 -2.6392 -2.2040 -2.2026 1.7385 1.7523 2.1609 2.1614 2.8350 2.8517 6.8090 6.8121 13.5205 13.5245 14.8734 14.8920 16.6868 16.6994 17.7040 17.7093 k =-0.3311 0.5814 0.2593 ( 1597 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3043 -37.0758 -37.0755 -36.8922 -36.8921 -15.7998 -15.7996 -14.8722 -14.8704 -2.6432 -2.6400 -2.2183 -2.2168 1.7380 1.7517 2.1486 2.1500 2.8451 2.8621 6.8200 6.8229 13.5459 13.5502 14.9395 14.9578 16.6054 16.6182 17.7548 17.7598 k =-0.3311 0.5814 0.2693 ( 1596 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3043 -37.0759 -37.0756 -36.8922 -36.8922 -15.7982 -15.7979 -14.8714 -14.8696 -2.6440 -2.6409 -2.2322 -2.2307 1.7379 1.7515 2.1359 2.1386 2.8551 2.8724 6.8307 6.8334 13.5716 13.5763 15.0064 15.0245 16.5258 16.5387 17.8073 17.8119 k =-0.3311 0.5814 0.2793 ( 1593 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3043 -37.0759 -37.0756 -36.8923 -36.8923 -15.7965 -15.7963 -14.8706 -14.8688 -2.6449 -2.6417 -2.2457 -2.2442 1.7381 1.7517 2.1232 2.1271 2.8650 2.8826 6.8410 6.8435 13.5975 13.6027 15.0739 15.0917 16.4481 16.4612 17.8612 17.8655 k =-0.3311 0.5814 0.2893 ( 1591 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3043 -37.0759 -37.0756 -36.8923 -36.8923 -15.7949 -15.7948 -14.8698 -14.8680 -2.6457 -2.6426 -2.2586 -2.2571 1.7388 1.7522 2.1105 2.1155 2.8746 2.8926 6.8508 6.8532 13.6236 13.6292 15.1415 15.1591 16.3728 16.3861 17.9163 17.9201 k =-0.3311 0.5814 0.2992 ( 1590 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3043 -37.0759 -37.0756 -36.8923 -36.8923 -15.7934 -15.7933 -14.8691 -14.8672 -2.6466 -2.6434 -2.2711 -2.2696 1.7399 1.7531 2.0976 2.1039 2.8840 2.9023 6.8601 6.8624 13.6497 13.6558 15.2088 15.2261 16.3000 16.3136 17.9724 17.9758 k =-0.3311 0.5814 0.3092 ( 1590 PWs) bands (ev): -72.8800 -72.8800 -43.3045 -43.3044 -37.0759 -37.0757 -36.8924 -36.8924 -15.7920 -15.7918 -14.8683 -14.8665 -2.6474 -2.6443 -2.2831 -2.2816 1.7415 1.7544 2.0848 2.0921 2.8931 2.9117 6.8689 6.8711 13.6757 13.6822 15.2755 15.2926 16.2301 16.2440 18.0292 18.0323 k =-0.3311 0.5814 0.3192 ( 1592 PWs) bands (ev): -72.8800 -72.8800 -43.3045 -43.3044 -37.0760 -37.0757 -36.8925 -36.8924 -15.7906 -15.7904 -14.8677 -14.8658 -2.6483 -2.6451 -2.2946 -2.2931 1.7436 1.7562 2.0719 2.0804 2.9018 2.9208 6.8772 6.8793 13.7014 13.7084 15.3410 15.3580 16.1633 16.1775 18.0867 18.0894 k =-0.3311 0.5814 0.3292 ( 1591 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3043 -37.0761 -37.0758 -36.8925 -36.8925 -15.7892 -15.7891 -14.8670 -14.8651 -2.6492 -2.6460 -2.3054 -2.3038 1.7462 1.7584 2.0591 2.0687 2.9101 2.9295 6.8850 6.8871 13.7268 13.7343 15.4049 15.4217 16.1000 16.1147 18.1446 18.1468 k =-0.3311 0.5814 0.3391 ( 1591 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3043 -37.0761 -37.0758 -36.8926 -36.8926 -15.7880 -15.7879 -14.8664 -14.8645 -2.6500 -2.6468 -2.3155 -2.3139 1.7492 1.7610 2.0465 2.0571 2.9180 2.9376 6.8922 6.8942 13.7515 13.7594 15.4665 15.4832 16.0406 16.0559 18.2027 18.2044 k =-0.3311 0.5814 0.3491 ( 1591 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3042 -37.0761 -37.0759 -36.8926 -36.8926 -15.7868 -15.7867 -14.8659 -14.8639 -2.6507 -2.6476 -2.3248 -2.3232 1.7527 1.7640 2.0341 2.0458 2.9253 2.9453 6.8988 6.9008 13.7753 13.7838 15.5248 15.5415 15.9856 16.0016 18.2606 18.2620 k =-0.3311 0.5814 0.3591 ( 1593 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3043 -37.0762 -37.0759 -36.8927 -36.8927 -15.7858 -15.7857 -14.8654 -14.8634 -2.6515 -2.6483 -2.3334 -2.3318 1.7566 1.7673 2.0220 2.0347 2.9321 2.9524 6.9048 6.9068 13.7981 13.8070 15.5788 15.5955 15.9358 15.9527 18.3180 18.3191 k =-0.3311 0.5814 0.3691 ( 1595 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3043 -37.0762 -37.0760 -36.8927 -36.8927 -15.7848 -15.7847 -14.8649 -14.8629 -2.6522 -2.6490 -2.3412 -2.3396 1.7608 1.7709 2.0104 2.0241 2.9383 2.9588 6.9101 6.9122 13.8196 13.8290 15.6269 15.6437 15.8925 15.9106 18.3744 18.3756 k =-0.3311 0.5814 0.3790 ( 1594 PWs) bands (ev): -72.8800 -72.8800 -43.3043 -43.3042 -37.0763 -37.0760 -36.8928 -36.8928 -15.7839 -15.7839 -14.8644 -14.8625 -2.6528 -2.6496 -2.3481 -2.3465 1.7652 1.7746 1.9994 2.0141 2.9439 2.9647 6.9150 6.9171 13.8395 13.8494 15.6660 15.6830 15.8584 15.8782 18.4294 18.4310 k =-0.3311 0.5814 0.3890 ( 1594 PWs) bands (ev): -72.8800 -72.8800 -43.3043 -43.3042 -37.0763 -37.0760 -36.8928 -36.8928 -15.7832 -15.7831 -14.8641 -14.8621 -2.6534 -2.6501 -2.3542 -2.3525 1.7696 1.7784 1.9892 2.0047 2.9488 2.9698 6.9192 6.9213 13.8576 13.8679 15.6909 15.7076 15.8389 15.8600 18.4823 18.4844 k =-0.3311 0.5814 0.3990 ( 1598 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3042 -37.0764 -37.0761 -36.8929 -36.8929 -15.7825 -15.7825 -14.8638 -14.8618 -2.6539 -2.6507 -2.3593 -2.3577 1.7741 1.7821 1.9798 1.9963 2.9530 2.9741 6.9227 6.9248 13.8734 13.8841 15.6973 15.7123 15.8393 15.8597 18.5323 18.5351 k =-0.3311 0.5814 0.4089 ( 1598 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3042 -37.0764 -37.0761 -36.8929 -36.8929 -15.7820 -15.7820 -14.8635 -14.8615 -2.6543 -2.6511 -2.3636 -2.3619 1.7782 1.7854 1.9717 1.9890 2.9565 2.9777 6.9256 6.9277 13.8868 13.8978 15.6897 15.7030 15.8537 15.8725 18.5781 18.5817 k =-0.3311 0.5814 0.4189 ( 1600 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3042 -37.0764 -37.0761 -36.8930 -36.8929 -15.7816 -15.7815 -14.8633 -14.8613 -2.6546 -2.6514 -2.3671 -2.3654 1.7817 1.7882 1.9650 1.9829 2.9592 2.9806 6.9278 6.9300 13.8976 13.9089 15.6773 15.6901 15.8711 15.8890 18.6181 18.6225 k =-0.3311 0.5814 0.4289 ( 1606 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3043 -37.0765 -37.0762 -36.8930 -36.8930 -15.7813 -15.7813 -14.8632 -14.8612 -2.6548 -2.6516 -2.3695 -2.3678 1.7845 1.7903 1.9600 1.9785 2.9612 2.9826 6.9292 6.9314 13.9053 13.9168 15.6660 15.6787 15.8858 15.9031 18.6499 18.6550 k =-0.3311 0.5814 0.4389 ( 1602 PWs) bands (ev): -72.8800 -72.8800 -43.3044 -43.3043 -37.0764 -37.0761 -36.8930 -36.8930 -15.7811 -15.7811 -14.8631 -14.8611 -2.6548 -2.6516 -2.3709 -2.3692 1.7863 1.7917 1.9569 1.9757 2.9624 2.9839 6.9303 6.9325 13.9103 13.9219 15.6587 15.6714 15.8953 15.9124 18.6708 18.6764 k =-0.3311 0.5814 0.4488 ( 1600 PWs) bands (ev): -72.8800 -72.8800 -43.3043 -43.3042 -37.0764 -37.0761 -36.8930 -36.8929 -15.7810 -15.7810 -14.8630 -14.8610 -2.6548 -2.6516 -2.3713 -2.3696 1.7870 1.7922 1.9558 1.9748 2.9628 2.9843 6.9307 6.9329 13.9119 13.9236 15.6561 15.6689 15.8986 15.9156 18.6781 18.6840 k =-0.3311 0.5814 0.4488 ( 1600 PWs) bands (ev): -72.8800 -72.8800 -43.3043 -43.3042 -37.0764 -37.0761 -36.8930 -36.8929 -15.7810 -15.7810 -14.8630 -14.8610 -2.6548 -2.6516 -2.3713 -2.3696 1.7870 1.7922 1.9558 1.9748 2.9628 2.9843 6.9307 6.9329 13.9119 13.9236 15.6561 15.6689 15.8986 15.9156 18.6781 18.6840 k =-0.3360 0.5726 0.4488 ( 1604 PWs) bands (ev): -72.8800 -72.8800 -43.3050 -43.3049 -37.0763 -37.0760 -36.8929 -36.8929 -15.7812 -15.7812 -14.8603 -14.8583 -2.6322 -2.6291 -2.3751 -2.3734 1.7652 1.7702 1.9687 1.9884 2.9560 2.9780 6.9139 6.9162 13.9442 13.9561 15.6431 15.6559 15.8420 15.8585 18.6812 18.6875 k =-0.3410 0.5639 0.4488 ( 1608 PWs) bands (ev): -72.8800 -72.8800 -43.3057 -43.3056 -37.0762 -37.0759 -36.8927 -36.8927 -15.7815 -15.7815 -14.8577 -14.8558 -2.6087 -2.6057 -2.3789 -2.3772 1.7430 1.7477 1.9830 2.0033 2.9493 2.9717 6.8972 6.8996 13.9737 13.9859 15.6245 15.6373 15.7850 15.8010 18.6915 18.6982 k =-0.3460 0.5552 0.4488 ( 1604 PWs) bands (ev): -72.8799 -72.8799 -43.3062 -43.3061 -37.0759 -37.0757 -36.8926 -36.8925 -15.7820 -15.7820 -14.8553 -14.8535 -2.5845 -2.5815 -2.3825 -2.3807 1.7203 1.7249 1.9985 2.0194 2.9427 2.9656 6.8810 6.8835 14.0009 14.0133 15.6008 15.6135 15.7281 15.7436 18.7092 18.7162 k =-0.3510 0.5465 0.4488 ( 1600 PWs) bands (ev): -72.8799 -72.8799 -43.3067 -43.3066 -37.0757 -37.0754 -36.8924 -36.8923 -15.7826 -15.7826 -14.8531 -14.8513 -2.5596 -2.5567 -2.3859 -2.3842 1.6974 1.7018 2.0151 2.0365 2.9363 2.9596 6.8651 6.8677 14.0253 14.0378 15.5720 15.5847 15.6717 15.6868 18.7338 18.7411 k =-0.3559 0.5377 0.4488 ( 1600 PWs) bands (ev): -72.8799 -72.8799 -43.3073 -43.3072 -37.0755 -37.0752 -36.8922 -36.8922 -15.7832 -15.7832 -14.8511 -14.8494 -2.5347 -2.5318 -2.3892 -2.3874 1.6742 1.6785 2.0328 2.0548 2.9298 2.9536 6.8494 6.8520 14.0464 14.0591 15.5387 15.5513 15.6160 15.6307 18.7651 18.7726 k =-0.3609 0.5290 0.4488 ( 1604 PWs) bands (ev): -72.8799 -72.8799 -43.3079 -43.3078 -37.0753 -37.0751 -36.8920 -36.8920 -15.7840 -15.7840 -14.8493 -14.8477 -2.5097 -2.5069 -2.3922 -2.3903 1.6508 1.6549 2.0514 2.0739 2.9235 2.9477 6.8339 6.8366 14.0643 14.0769 15.5012 15.5137 15.5616 15.5760 18.8029 18.8106 k =-0.3659 0.5203 0.4488 ( 1598 PWs) bands (ev): -72.8798 -72.8798 -43.3083 -43.3082 -37.0751 -37.0748 -36.8918 -36.8918 -15.7849 -15.7849 -14.8477 -14.8462 -2.4850 -2.4822 -2.3944 -2.3924 1.6274 1.6314 2.0711 2.0941 2.9171 2.9418 6.8191 6.8218 14.0787 14.0914 15.4603 15.4725 15.5090 15.5230 18.8472 18.8551 k =-0.3708 0.5116 0.4488 ( 1598 PWs) bands (ev): -72.8798 -72.8798 -43.3088 -43.3087 -37.0749 -37.0746 -36.8916 -36.8916 -15.7859 -15.7859 -14.8463 -14.8448 -2.4615 -2.4588 -2.3951 -2.3931 1.6039 1.6078 2.0916 2.1151 2.9108 2.9360 6.8042 6.8070 14.0894 14.1020 15.4160 15.4280 15.4587 15.4723 18.8972 18.9054 k =-0.3758 0.5028 0.4488 ( 1598 PWs) bands (ev): -72.8798 -72.8798 -43.3093 -43.3092 -37.0746 -37.0744 -36.8914 -36.8914 -15.7869 -15.7869 -14.8450 -14.8435 -2.4416 -2.4393 -2.3917 -2.3900 1.5805 1.5843 2.1128 2.1369 2.9045 2.9301 6.7897 6.7925 14.0962 14.1087 15.3691 15.3808 15.4109 15.4240 18.9074 18.9129 k =-0.3808 0.4941 0.4488 ( 1598 PWs) bands (ev): -72.8798 -72.8798 -43.3098 -43.3097 -37.0744 -37.0742 -36.8912 -36.8912 -15.7880 -15.7880 -14.8438 -14.8425 -2.4295 -2.4282 -2.3798 -2.3791 1.5573 1.5609 2.1349 2.1594 2.8982 2.9242 6.7756 6.7783 14.0991 14.1114 15.3202 15.3315 15.3659 15.3784 18.8837 18.8888 k =-0.3857 0.4854 0.4488 ( 1598 PWs) bands (ev): -72.8798 -72.8798 -43.3103 -43.3102 -37.0742 -37.0740 -36.8911 -36.8910 -15.7891 -15.7891 -14.8428 -14.8415 -2.4256 -2.4253 -2.3599 -2.3597 1.5342 1.5378 2.1575 2.1825 2.8918 2.9183 6.7617 6.7644 14.0980 14.1100 15.2697 15.2805 15.3242 15.3361 18.8618 18.8665 k =-0.3907 0.4767 0.4488 ( 1602 PWs) bands (ev): -72.8799 -72.8799 -43.3109 -43.3109 -37.0740 -37.0738 -36.8909 -36.8909 -15.7903 -15.7903 -14.8421 -14.8408 -2.4261 -2.4259 -2.3366 -2.3359 1.5115 1.5149 2.1807 2.2062 2.8853 2.9123 6.7481 6.7508 14.0930 14.1047 15.2179 15.2282 15.2858 15.2969 18.8417 18.8462 k =-0.3957 0.4679 0.4488 ( 1602 PWs) bands (ev): -72.8799 -72.8799 -43.3114 -43.3113 -37.0738 -37.0736 -36.8907 -36.8907 -15.7915 -15.7915 -14.8413 -14.8402 -2.4283 -2.4279 -2.3117 -2.3109 1.4891 1.4924 2.2043 2.2303 2.8788 2.9062 6.7350 6.7377 14.0844 14.0957 15.1652 15.1749 15.2512 15.2616 18.8233 18.8275 k =-0.4006 0.4592 0.4488 ( 1598 PWs) bands (ev): -72.8799 -72.8799 -43.3118 -43.3118 -37.0735 -37.0733 -36.8904 -36.8904 -15.7927 -15.7927 -14.8407 -14.8396 -2.4310 -2.4304 -2.2863 -2.2854 1.4671 1.4703 2.2284 2.2549 2.8722 2.9001 6.7224 6.7250 14.0723 14.0831 15.1120 15.1212 15.2204 15.2300 18.8065 18.8104 k =-0.4056 0.4505 0.4488 ( 1598 PWs) bands (ev): -72.8799 -72.8799 -43.3123 -43.3122 -37.0733 -37.0731 -36.8903 -36.8903 -15.7939 -15.7939 -14.8402 -14.8391 -2.4340 -2.4334 -2.2611 -2.2602 1.4457 1.4487 2.2527 2.2797 2.8654 2.8938 6.7102 6.7128 14.0571 14.0673 15.0587 15.0674 15.1932 15.2021 18.7911 18.7949 k =-0.4106 0.4418 0.4488 ( 1602 PWs) bands (ev): -72.8799 -72.8799 -43.3127 -43.3126 -37.0731 -37.0730 -36.8901 -36.8901 -15.7952 -15.7952 -14.8397 -14.8387 -2.4371 -2.4364 -2.2362 -2.2353 1.4248 1.4277 2.2771 2.3046 2.8585 2.8873 6.6984 6.7009 14.0390 14.0486 15.0058 15.0139 15.1694 15.1776 18.7771 18.7806 k =-0.4155 0.4331 0.4488 ( 1602 PWs) bands (ev): -72.8799 -72.8799 -43.3131 -43.3130 -37.0729 -37.0728 -36.8899 -36.8899 -15.7964 -15.7964 -14.8393 -14.8384 -2.4401 -2.4395 -2.2117 -2.2108 1.4045 1.4073 2.3017 2.3297 2.8514 2.8806 6.6871 6.6895 14.0185 14.0276 14.9535 14.9612 15.1490 15.1564 18.7644 18.7676 k =-0.4205 0.4243 0.4488 ( 1604 PWs) bands (ev): -72.8799 -72.8799 -43.3134 -43.3134 -37.0728 -37.0726 -36.8898 -36.8898 -15.7976 -15.7976 -14.8391 -14.8382 -2.4432 -2.4426 -2.1880 -2.1872 1.3850 1.3877 2.3263 2.3547 2.8441 2.8737 6.6762 6.6786 13.9962 14.0047 14.9024 14.9095 15.1314 15.1382 18.7528 18.7558 k =-0.4255 0.4156 0.4488 ( 1592 PWs) bands (ev): -72.8799 -72.8799 -43.3138 -43.3137 -37.0725 -37.0723 -36.8895 -36.8895 -15.7988 -15.7988 -14.8388 -14.8379 -2.4460 -2.4453 -2.1648 -2.1640 1.3663 1.3688 2.3510 2.3798 2.8366 2.8666 6.6660 6.6683 13.9727 13.9805 14.8527 14.8594 15.1167 15.1229 18.7423 18.7451 k =-0.4304 0.4069 0.4488 ( 1596 PWs) bands (ev): -72.8799 -72.8799 -43.3143 -43.3142 -37.0723 -37.0722 -36.8893 -36.8893 -15.8000 -15.8000 -14.8386 -14.8378 -2.4489 -2.4483 -2.1426 -2.1419 1.3484 1.3508 2.3753 2.4046 2.8287 2.8591 6.6560 6.6582 13.9481 13.9552 14.8046 14.8108 15.1042 15.1097 18.7328 18.7354 k =-0.4354 0.3982 0.4488 ( 1596 PWs) bands (ev): -72.8799 -72.8799 -43.3146 -43.3145 -37.0721 -37.0720 -36.8892 -36.8892 -15.8011 -15.8011 -14.8384 -14.8377 -2.4517 -2.4511 -2.1214 -2.1208 1.3314 1.3336 2.3994 2.4291 2.8206 2.8514 6.6468 6.6488 13.9233 13.9299 14.7586 14.7643 15.0938 15.0987 18.7242 18.7266 k =-0.4404 0.3894 0.4488 ( 1596 PWs) bands (ev): -72.8799 -72.8799 -43.3149 -43.3148 -37.0720 -37.0718 -36.8890 -36.8890 -15.8021 -15.8021 -14.8383 -14.8377 -2.4543 -2.4538 -2.1013 -2.1007 1.3154 1.3175 2.4232 2.4533 2.8122 2.8432 6.6382 6.6401 13.8987 13.9046 14.7149 14.7202 15.0852 15.0896 18.7164 18.7186 k =-0.4453 0.3807 0.4488 ( 1596 PWs) bands (ev): -72.8799 -72.8799 -43.3151 -43.3151 -37.0718 -37.0717 -36.8889 -36.8889 -15.8031 -15.8031 -14.8383 -14.8377 -2.4568 -2.4563 -2.0824 -2.0818 1.3005 1.3024 2.4466 2.4771 2.8034 2.8347 6.6301 6.6319 13.8746 13.8800 14.6737 14.6786 15.0781 15.0820 18.7095 18.7115 k =-0.4503 0.3720 0.4488 ( 1600 PWs) bands (ev): -72.8799 -72.8799 -43.3154 -43.3153 -37.0717 -37.0716 -36.8888 -36.8888 -15.8041 -15.8041 -14.8383 -14.8377 -2.4591 -2.4587 -2.0647 -2.0643 1.2865 1.2883 2.4695 2.5003 2.7941 2.8258 6.6226 6.6243 13.8515 13.8563 14.6353 14.6397 15.0723 15.0757 18.7034 18.7052 k =-0.4553 0.3633 0.4488 ( 1592 PWs) bands (ev): -72.8799 -72.8799 -43.3156 -43.3155 -37.0715 -37.0714 -36.8886 -36.8886 -15.8049 -15.8049 -14.8382 -14.8377 -2.4612 -2.4607 -2.0482 -2.0478 1.2738 1.2754 2.4919 2.5230 2.7846 2.8164 6.6160 6.6175 13.8296 13.8339 14.6000 14.6040 15.0676 15.0706 18.6979 18.6995 k =-0.4603 0.3545 0.4488 ( 1592 PWs) bands (ev): -72.8799 -72.8799 -43.3157 -43.3157 -37.0714 -37.0713 -36.8885 -36.8885 -15.8057 -15.8057 -14.8382 -14.8378 -2.4631 -2.4627 -2.0335 -2.0331 1.2623 1.2637 2.5137 2.5449 2.7746 2.8065 6.6100 6.6114 13.8093 13.8131 14.5679 14.5714 15.0639 15.0664 18.6932 18.6946 k =-0.4652 0.3458 0.4488 ( 1596 PWs) bands (ev): -72.8799 -72.8799 -43.3159 -43.3158 -37.0713 -37.0712 -36.8884 -36.8884 -15.8064 -15.8064 -14.8383 -14.8379 -2.4648 -2.4645 -2.0203 -2.0199 1.2520 1.2533 2.5347 2.5660 2.7641 2.7961 6.6046 6.6058 13.7909 13.7941 14.5392 14.5422 15.0607 15.0629 18.6890 18.6903 k =-0.4702 0.3371 0.4488 ( 1600 PWs) bands (ev): -72.8799 -72.8799 -43.3160 -43.3160 -37.0712 -37.0712 -36.8884 -36.8884 -15.8071 -15.8071 -14.8383 -14.8380 -2.4664 -2.4661 -2.0087 -2.0085 1.2430 1.2441 2.5549 2.5863 2.7533 2.7852 6.5998 6.6009 13.7745 13.7773 14.5139 14.5165 15.0582 15.0601 18.6855 18.6866 k =-0.4752 0.3284 0.4488 ( 1598 PWs) bands (ev): -72.8799 -72.8799 -43.3162 -43.3162 -37.0711 -37.0710 -36.8883 -36.8883 -15.8076 -15.8076 -14.8384 -14.8381 -2.4677 -2.4675 -1.9985 -1.9983 1.2353 1.2362 2.5745 2.6057 2.7422 2.7737 6.5957 6.5966 13.7603 13.7626 14.4924 14.4945 15.0563 15.0578 18.6826 18.6835 k =-0.4801 0.3196 0.4488 ( 1596 PWs) bands (ev): -72.8799 -72.8799 -43.3162 -43.3162 -37.0710 -37.0710 -36.8882 -36.8882 -15.8081 -15.8081 -14.8384 -14.8382 -2.4688 -2.4686 -1.9903 -1.9901 1.2290 1.2297 2.5932 2.6237 2.7310 2.7618 6.5925 6.5932 13.7486 13.7504 14.4747 14.4764 15.0548 15.0560 18.6803 18.6810 k =-0.4851 0.3109 0.4488 ( 1592 PWs) bands (ev): -72.8799 -72.8799 -43.3162 -43.3162 -37.0709 -37.0709 -36.8881 -36.8881 -15.8084 -15.8084 -14.8383 -14.8382 -2.4696 -2.4694 -1.9839 -1.9837 1.2242 1.2247 2.6108 2.6397 2.7203 2.7494 6.5900 6.5905 13.7394 13.7408 14.4609 14.4622 15.0539 15.0548 18.6785 18.6790 k =-0.4901 0.3022 0.4488 ( 1592 PWs) bands (ev): -72.8799 -72.8799 -43.3163 -43.3163 -37.0709 -37.0709 -36.8881 -36.8881 -15.8086 -15.8086 -14.8383 -14.8382 -2.4702 -2.4701 -1.9792 -1.9791 1.2207 1.2210 2.6272 2.6523 2.7116 2.7369 6.5882 6.5886 13.7329 13.7338 14.4510 14.4519 15.0532 15.0538 18.6773 18.6776 k =-0.4950 0.2935 0.4488 ( 1592 PWs) bands (ev): -72.8799 -72.8799 -43.3163 -43.3163 -37.0709 -37.0709 -36.8881 -36.8881 -15.8088 -15.8088 -14.8383 -14.8383 -2.4705 -2.4705 -1.9764 -1.9764 1.2186 1.2188 2.6417 2.6576 2.7086 2.7246 6.5872 6.5873 13.7290 13.7295 14.4451 14.4456 15.0529 15.0532 18.6766 18.6767 k =-0.5000 0.2847 0.4488 ( 1592 PWs) bands (ev): -72.8799 -72.8799 -43.3163 -43.3163 -37.0709 -37.0709 -36.8881 -36.8881 -15.8088 -15.8088 -14.8383 -14.8383 -2.4706 -2.4706 -1.9755 -1.9755 1.2180 1.2180 2.6530 2.6530 2.7140 2.7140 6.5869 6.5869 13.7279 13.7279 14.4433 14.4433 15.0529 15.0529 18.6764 18.6764 k =-0.5000 0.2847 0.4488 ( 1592 PWs) bands (ev): -72.8799 -72.8799 -43.3163 -43.3163 -37.0709 -37.0709 -36.8881 -36.8881 -15.8088 -15.8088 -14.8383 -14.8383 -2.4706 -2.4706 -1.9755 -1.9755 1.2180 1.2180 2.6530 2.6530 2.7140 2.7140 6.5869 6.5869 13.7279 13.7279 14.4433 14.4433 15.0529 15.0529 18.6764 18.6764 k =-0.5000 0.2847 0.4389 ( 1592 PWs) bands (ev): -72.8799 -72.8799 -43.3163 -43.3163 -37.0709 -37.0709 -36.8880 -36.8880 -15.8089 -15.8089 -14.8384 -14.8383 -2.4701 -2.4701 -1.9756 -1.9756 1.2191 1.2192 2.6531 2.6531 2.7133 2.7134 6.5863 6.5863 13.7268 13.7271 14.4305 14.4366 15.0598 15.0661 18.6763 18.6766 k =-0.5000 0.2847 0.4289 ( 1596 PWs) bands (ev): -72.8799 -72.8799 -43.3164 -43.3164 -37.0709 -37.0709 -36.8881 -36.8881 -15.8092 -15.8092 -14.8385 -14.8385 -2.4688 -2.4687 -1.9759 -1.9759 1.2224 1.2226 2.6533 2.6534 2.7111 2.7115 6.5847 6.5847 13.7239 13.7244 14.4003 14.4114 15.0855 15.0971 18.6765 18.6771 k =-0.5000 0.2847 0.4189 ( 1598 PWs) bands (ev): -72.8799 -72.8799 -43.3164 -43.3164 -37.0709 -37.0709 -36.8881 -36.8881 -15.8096 -15.8096 -14.8387 -14.8386 -2.4665 -2.4663 -1.9764 -1.9764 1.2281 1.2284 2.6537 2.6538 2.7078 2.7082 6.5820 6.5820 13.7191 13.7200 14.3568 14.3715 15.1265 15.1420 18.6767 18.6776 k =-0.5000 0.2847 0.4089 ( 1594 PWs) bands (ev): -72.8799 -72.8799 -43.3164 -43.3164 -37.0708 -37.0708 -36.8880 -36.8880 -15.8102 -15.8102 -14.8388 -14.8388 -2.4630 -2.4628 -1.9771 -1.9770 1.2362 1.2366 2.6541 2.6543 2.7033 2.7039 6.5784 6.5784 13.7127 13.7138 14.3042 14.3213 15.1788 15.1969 18.6770 18.6782 k =-0.5000 0.2847 0.3990 ( 1592 PWs) bands (ev): -72.8799 -72.8799 -43.3164 -43.3164 -37.0708 -37.0708 -36.8880 -36.8880 -15.8110 -15.8109 -14.8392 -14.8391 -2.4586 -2.4583 -1.9779 -1.9779 1.2465 1.2470 2.6542 2.6546 2.6979 2.6986 6.5735 6.5735 13.7045 13.7059 14.2453 14.2639 15.2389 15.2587 18.6771 18.6785 k =-0.5000 0.2847 0.3890 ( 1592 PWs) bands (ev): -72.8799 -72.8799 -43.3165 -43.3165 -37.0707 -37.0707 -36.8879 -36.8879 -15.8119 -15.8118 -14.8395 -14.8395 -2.4533 -2.4530 -1.9789 -1.9788 1.2590 1.2596 2.6536 2.6542 2.6922 2.6928 6.5674 6.5674 13.6946 13.6963 14.1821 14.2016 15.3043 15.3252 18.6768 18.6784 k =-0.5000 0.2847 0.3790 ( 1592 PWs) bands (ev): -72.8799 -72.8799 -43.3165 -43.3165 -37.0707 -37.0707 -36.8879 -36.8879 -15.8130 -15.8128 -14.8400 -14.8399 -2.4472 -2.4468 -1.9801 -1.9801 1.2738 1.2745 2.6514 2.6522 2.6870 2.6875 6.5603 6.5603 13.6831 13.6852 14.1161 14.1362 15.3738 15.3955 18.6759 18.6777 k =-0.5000 0.2847 0.3691 ( 1592 PWs) bands (ev): -72.8800 -72.8800 -43.3166 -43.3166 -37.0707 -37.0707 -36.8878 -36.8878 -15.8142 -15.8140 -14.8405 -14.8404 -2.4404 -2.4400 -1.9816 -1.9816 1.2907 1.2916 2.6464 2.6477 2.6836 2.6839 6.5521 6.5522 13.6702 13.6725 14.0483 14.0687 15.4465 15.4686 18.6742 18.6761 k =-0.5000 0.2847 0.3591 ( 1592 PWs) bands (ev): -72.8800 -72.8800 -43.3166 -43.3166 -37.0706 -37.0706 -36.8878 -36.8878 -15.8156 -15.8154 -14.8410 -14.8409 -2.4326 -2.4321 -1.9832 -1.9832 1.3098 1.3108 2.6381 2.6398 2.6824 2.6826 6.5426 6.5427 13.6559 13.6586 13.9793 13.9999 15.5216 15.5438 18.6714 18.6734 k =-0.5000 0.2847 0.3491 ( 1596 PWs) bands (ev): -72.8800 -72.8800 -43.3166 -43.3166 -37.0706 -37.0706 -36.8878 -36.8878 -15.8171 -15.8169 -14.8417 -14.8416 -2.4240 -2.4235 -1.9851 -1.9851 1.3309 1.3320 2.6269 2.6289 2.6832 2.6832 6.5319 6.5319 13.6402 13.6433 13.9096 13.9303 15.5987 15.6209 18.6675 18.6695 k =-0.5000 0.2847 0.3391 ( 1596 PWs) bands (ev): -72.8799 -72.8799 -43.3166 -43.3166 -37.0706 -37.0706 -36.8878 -36.8878 -15.8187 -15.8185 -14.8422 -14.8421 -2.4146 -2.4140 -1.9872 -1.9871 1.3541 1.3554 2.6136 2.6159 2.6852 2.6853 6.5199 6.5200 13.6231 13.6267 13.8400 13.8608 15.6773 15.6995 18.6621 18.6641 k =-0.5000 0.2847 0.3292 ( 1596 PWs) bands (ev): -72.8799 -72.8799 -43.3166 -43.3166 -37.0706 -37.0706 -36.8877 -36.8877 -15.8204 -15.8202 -14.8429 -14.8428 -2.4044 -2.4038 -1.9892 -1.9892 1.3793 1.3807 2.5986 2.6012 2.6880 2.6881 6.5067 6.5068 13.6045 13.6088 13.7706 13.7916 15.7574 15.7794 18.6553 18.6572 k =-0.5000 0.2847 0.3192 ( 1600 PWs) bands (ev): -72.8799 -72.8799 -43.3167 -43.3167 -37.0705 -37.0705 -36.8877 -36.8877 -15.8223 -15.8221 -14.8437 -14.8436 -2.3935 -2.3929 -1.9914 -1.9914 1.4063 1.4078 2.5823 2.5851 2.6915 2.6916 6.4921 6.4922 13.5839 13.5891 13.7023 13.7239 15.8386 15.8604 18.6469 18.6487 k =-0.5000 0.2847 0.3092 ( 1596 PWs) bands (ev): -72.8799 -72.8799 -43.3167 -43.3167 -37.0704 -37.0704 -36.8876 -36.8876 -15.8242 -15.8240 -14.8445 -14.8444 -2.3818 -2.3812 -1.9937 -1.9936 1.4352 1.4369 2.5648 2.5679 2.6953 2.6954 6.4763 6.4764 13.5594 13.5655 13.6378 13.6597 15.9210 15.9424 18.6372 18.6388 k =-0.5000 0.2847 0.2992 ( 1596 PWs) bands (ev): -72.8799 -72.8799 -43.3167 -43.3167 -37.0704 -37.0704 -36.8875 -36.8875 -15.8263 -15.8260 -14.8453 -14.8452 -2.3696 -2.3689 -1.9961 -1.9960 1.4659 1.4678 2.5463 2.5496 2.6995 2.6997 6.4592 6.4593 13.5265 13.5303 13.5850 13.6040 16.0040 16.0250 18.6260 18.6274 k =-0.5000 0.2847 0.2893 ( 1596 PWs) bands (ev): -72.8800 -72.8799 -43.3167 -43.3167 -37.0703 -37.0703 -36.8874 -36.8874 -15.8284 -15.8281 -14.8462 -14.8461 -2.3568 -2.3561 -1.9986 -1.9985 1.4981 1.5002 2.5269 2.5305 2.7040 2.7041 6.4408 6.4409 13.4758 13.4789 13.5518 13.5634 16.0875 16.1080 18.6138 18.6149 k =-0.5000 0.2847 0.2793 ( 1596 PWs) bands (ev): -72.8800 -72.8800 -43.3167 -43.3167 -37.0702 -37.0702 -36.8874 -36.8874 -15.8306 -15.8303 -14.8471 -14.8470 -2.3435 -2.3427 -2.0011 -2.0011 1.5319 1.5343 2.5067 2.5106 2.7088 2.7089 6.4210 6.4211 13.4128 13.4202 13.5277 13.5345 16.1712 16.1912 18.6008 18.6015 k =-0.5000 0.2847 0.2693 ( 1600 PWs) bands (ev): -72.8800 -72.8800 -43.3169 -43.3169 -37.0702 -37.0702 -36.8873 -36.8873 -15.8329 -15.8326 -14.8481 -14.8479 -2.3297 -2.3289 -2.0038 -2.0037 1.5672 1.5698 2.4859 2.4901 2.7137 2.7138 6.3997 6.3999 13.3484 13.3576 13.5061 13.5105 16.2548 16.2741 18.5874 18.5877 k =-0.5000 0.2847 0.2593 ( 1592 PWs) bands (ev): -72.8800 -72.8800 -43.3167 -43.3167 -37.0700 -37.0700 -36.8871 -36.8871 -15.8351 -15.8349 -14.8490 -14.8489 -2.3153 -2.3145 -2.0064 -2.0063 1.6038 1.6067 2.4647 2.4692 2.7187 2.7188 6.3776 6.3778 13.2844 13.2943 13.4855 13.4886 16.3382 16.3569 18.5740 18.5742 k =-0.5000 0.2847 0.2494 ( 1594 PWs) bands (ev): -72.8800 -72.8800 -43.3167 -43.3167 -37.0700 -37.0700 -36.8871 -36.8871 -15.8375 -15.8372 -14.8500 -14.8498 -2.3008 -2.3000 -2.0092 -2.0090 1.6416 1.6448 2.4429 2.4478 2.7239 2.7240 6.3540 6.3542 13.2214 13.2314 13.4651 13.4675 16.4206 16.4386 18.5610 18.5617 k =-0.5000 0.2847 0.2394 ( 1594 PWs) bands (ev): -72.8800 -72.8800 -43.3167 -43.3167 -37.0699 -37.0699 -36.8870 -36.8870 -15.8399 -15.8396 -14.8510 -14.8508 -2.2860 -2.2852 -2.0119 -2.0117 1.6804 1.6840 2.4209 2.4262 2.7291 2.7292 6.3291 6.3293 13.1598 13.1698 13.4451 13.4470 16.5018 16.5189 18.5494 18.5507 k =-0.5000 0.2847 0.2294 ( 1594 PWs) bands (ev): -72.8800 -72.8800 -43.3168 -43.3168 -37.0698 -37.0698 -36.8869 -36.8869 -15.8422 -15.8420 -14.8520 -14.8518 -2.2710 -2.2701 -2.0145 -2.0144 1.7202 1.7242 2.3986 2.4044 2.7344 2.7345 6.3031 6.3033 13.0998 13.1096 13.4254 13.4270 16.5810 16.5973 18.5400 18.5420 k =-0.5000 0.2847 0.2194 ( 1598 PWs) bands (ev): -72.8801 -72.8801 -43.3169 -43.3169 -37.0698 -37.0698 -36.8869 -36.8869 -15.8446 -15.8444 -14.8530 -14.8528 -2.2559 -2.2550 -2.0173 -2.0172 1.7606 1.7651 2.3762 2.3825 2.7397 2.7398 6.2759 6.2762 13.0416 13.0511 13.4060 13.4073 16.6577 16.6730 18.5336 18.5365 k =-0.5000 0.2847 0.2095 ( 1602 PWs) bands (ev): -72.8801 -72.8801 -43.3169 -43.3169 -37.0698 -37.0698 -36.8868 -36.8868 -15.8470 -15.8467 -14.8540 -14.8538 -2.2407 -2.2398 -2.0200 -2.0198 1.8016 1.8067 2.3539 2.3608 2.7449 2.7450 6.2478 6.2481 12.9852 12.9944 13.3870 13.3882 16.7311 16.7453 18.5313 18.5350 k =-0.5000 0.2847 0.1995 ( 1602 PWs) bands (ev): -72.8801 -72.8801 -43.3169 -43.3169 -37.0697 -37.0697 -36.8867 -36.8867 -15.8494 -15.8491 -14.8550 -14.8548 -2.2255 -2.2247 -2.0225 -2.0224 1.8429 1.8487 2.3316 2.3393 2.7502 2.7503 6.2189 6.2192 12.9310 12.9397 13.3685 13.3696 16.8004 16.8135 18.5340 18.5386 k =-0.5000 0.2847 0.1895 ( 1602 PWs) bands (ev): -72.8801 -72.8801 -43.3169 -43.3169 -37.0696 -37.0696 -36.8866 -36.8866 -15.8517 -15.8514 -14.8560 -14.8558 -2.2105 -2.2096 -2.0250 -2.0248 1.8842 1.8910 2.3097 2.3183 2.7554 2.7555 6.1892 6.1895 12.8790 12.8873 13.3505 13.3515 16.8649 16.8768 18.5426 18.5482 k =-0.5000 0.2847 0.1795 ( 1606 PWs) bands (ev): -72.8801 -72.8801 -43.3169 -43.3169 -37.0696 -37.0696 -36.8866 -36.8866 -15.8540 -15.8537 -14.8569 -14.8568 -2.1960 -2.1951 -2.0273 -2.0272 1.9253 1.9333 2.2881 2.2978 2.7605 2.7606 6.1589 6.1592 12.8292 12.8370 13.3330 13.3339 16.9237 16.9344 18.5580 18.5646 k =-0.5000 0.2847 0.1696 ( 1608 PWs) bands (ev): -72.8801 -72.8801 -43.3170 -43.3169 -37.0696 -37.0696 -36.8866 -36.8866 -15.8562 -15.8560 -14.8579 -14.8577 -2.1816 -2.1807 -2.0295 -2.0294 1.9658 1.9755 2.2670 2.2783 2.7655 2.7657 6.1281 6.1285 12.7817 12.7891 13.3161 13.3170 16.9762 16.9857 18.5809 18.5884 k =-0.5000 0.2847 0.1596 ( 1614 PWs) bands (ev): -72.8802 -72.8802 -43.3171 -43.3170 -37.0696 -37.0695 -36.8866 -36.8866 -15.8584 -15.8581 -14.8588 -14.8587 -2.1676 -2.1667 -2.0316 -2.0314 2.0052 2.0171 2.2465 2.2602 2.7704 2.7705 6.0971 6.0975 12.7367 12.7436 13.2999 13.3007 17.0220 17.0302 18.6117 18.6202 k =-0.5000 0.2847 0.1496 ( 1604 PWs) bands (ev): -72.8801 -72.8801 -43.3170 -43.3170 -37.0694 -37.0694 -36.8864 -36.8864 -15.8605 -15.8602 -14.8597 -14.8595 -2.1538 -2.1530 -2.0333 -2.0331 2.0427 2.0581 2.2271 2.2442 2.7752 2.7753 6.0663 6.0667 12.6943 12.7008 13.2845 13.2853 17.0611 17.0681 18.6507 18.6601 k =-0.5000 0.2847 0.1396 ( 1608 PWs) bands (ev): -72.8802 -72.8802 -43.3170 -43.3170 -37.0694 -37.0694 -36.8864 -36.8864 -15.8625 -15.8622 -14.8605 -14.8604 -2.1411 -2.1402 -2.0349 -2.0346 2.0763 2.0972 2.2091 2.2316 2.7797 2.7799 6.0355 6.0359 12.6544 12.6605 13.2698 13.2706 17.0932 17.0990 18.6973 18.7074 k =-0.5000 0.2847 0.1297 ( 1604 PWs) bands (ev): -72.8802 -72.8802 -43.3169 -43.3169 -37.0693 -37.0693 -36.8863 -36.8863 -15.8644 -15.8642 -14.8613 -14.8612 -2.1288 -2.1280 -2.0359 -2.0357 2.1033 2.1327 2.1948 2.2257 2.7841 2.7842 6.0052 6.0056 12.6173 12.6228 13.2562 13.2568 17.1189 17.1238 18.7512 18.7619 k =-0.5000 0.2847 0.1197 ( 1600 PWs) bands (ev): -72.8802 -72.8802 -43.3169 -43.3169 -37.0692 -37.0692 -36.8862 -36.8862 -15.8662 -15.8660 -14.8621 -14.8619 -2.1175 -2.1167 -2.0366 -2.0364 2.1189 2.1522 2.1960 2.2307 2.7882 2.7883 5.9755 5.9759 12.5827 12.5878 13.2432 13.2438 17.1388 17.1427 18.8116 18.8227 k =-0.5000 0.2847 0.1097 ( 1600 PWs) bands (ev): -72.8802 -72.8802 -43.3169 -43.3169 -37.0692 -37.0692 -36.8861 -36.8861 -15.8679 -15.8677 -14.8628 -14.8627 -2.1074 -2.1066 -2.0368 -2.0365 2.1218 2.1457 2.2225 2.2478 2.7920 2.7921 5.9467 5.9471 12.5507 12.5554 13.2310 13.2316 17.1534 17.1566 18.8768 18.8881 k =-0.5000 0.2847 0.0997 ( 1600 PWs) bands (ev): -72.8802 -72.8802 -43.3169 -43.3169 -37.0691 -37.0691 -36.8861 -36.8861 -15.8694 -15.8693 -14.8634 -14.8633 -2.0986 -2.0979 -2.0363 -2.0360 2.1166 2.1327 2.2548 2.2722 2.7956 2.7957 5.9192 5.9195 12.5215 12.5257 13.2199 13.2204 17.1638 17.1663 18.9456 18.9569 k =-0.5000 0.2847 0.0898 ( 1596 PWs) bands (ev): -72.8802 -72.8802 -43.3169 -43.3169 -37.0691 -37.0691 -36.8860 -36.8860 -15.8709 -15.8707 -14.8640 -14.8639 -2.0913 -2.0906 -2.0349 -2.0347 2.1080 2.1194 2.2864 2.2990 2.7990 2.7991 5.8931 5.8934 12.4950 12.4988 13.2097 13.2102 17.1707 17.1727 19.0164 19.0275 k =-0.5000 0.2847 0.0798 ( 1596 PWs) bands (ev): -72.8802 -72.8802 -43.3169 -43.3169 -37.0690 -37.0690 -36.8860 -36.8860 -15.8722 -15.8720 -14.8646 -14.8645 -2.0855 -2.0849 -2.0327 -2.0325 2.0985 2.1068 2.3160 2.3255 2.8020 2.8021 5.8688 5.8691 12.4713 12.4747 13.2005 13.2009 17.1748 17.1764 19.0875 19.0982 k =-0.5000 0.2847 0.0698 ( 1596 PWs) bands (ev): -72.8802 -72.8802 -43.3169 -43.3169 -37.0690 -37.0690 -36.8859 -36.8859 -15.8733 -15.8732 -14.8651 -14.8650 -2.0812 -2.0807 -2.0298 -2.0297 2.0891 2.0954 2.3431 2.3505 2.8047 2.8048 5.8466 5.8469 12.4504 12.4533 13.1923 13.1927 17.1769 17.1781 19.1571 19.1671 k =-0.5000 0.2847 0.0598 ( 1596 PWs) bands (ev): -72.8802 -72.8802 -43.3169 -43.3169 -37.0690 -37.0690 -36.8859 -36.8859 -15.8744 -15.8743 -14.8655 -14.8655 -2.0782 -2.0777 -2.0265 -2.0264 2.0805 2.0853 2.3673 2.3731 2.8071 2.8072 5.8267 5.8269 12.4323 12.4348 13.1851 13.1855 17.1775 17.1784 19.2233 19.2325 k =-0.5000 0.2847 0.0499 ( 1600 PWs) bands (ev): -72.8802 -72.8802 -43.3170 -43.3170 -37.0690 -37.0690 -36.8859 -36.8859 -15.8752 -15.8752 -14.8659 -14.8658 -2.0763 -2.0760 -2.0232 -2.0232 2.0729 2.0765 2.3883 2.3928 2.8091 2.8092 5.8093 5.8095 12.4169 12.4190 13.1791 13.1794 17.1772 17.1779 19.2840 19.2920 k =-0.5000 0.2847 0.0399 ( 1604 PWs) bands (ev): -72.8802 -72.8802 -43.3171 -43.3171 -37.0690 -37.0690 -36.8859 -36.8859 -15.8760 -15.8759 -14.8662 -14.8662 -2.0750 -2.0747 -2.0200 -2.0200 2.0665 2.0692 2.4060 2.4094 2.8107 2.8108 5.7947 5.7949 12.4043 12.4060 13.1740 13.1743 17.1765 17.1770 19.3374 19.3442 k =-0.5000 0.2847 0.0299 ( 1604 PWs) bands (ev): -72.8802 -72.8802 -43.3171 -43.3171 -37.0690 -37.0690 -36.8859 -36.8859 -15.8765 -15.8765 -14.8664 -14.8664 -2.0742 -2.0740 -2.0173 -2.0173 2.0615 2.0635 2.4200 2.4224 2.8121 2.8121 5.7832 5.7833 12.3946 12.3959 13.1701 13.1703 17.1755 17.1759 19.3816 19.3869 k =-0.5000 0.2847 0.0199 ( 1608 PWs) bands (ev): -72.8803 -72.8802 -43.3171 -43.3171 -37.0690 -37.0690 -36.8859 -36.8859 -15.8769 -15.8769 -14.8666 -14.8666 -2.0737 -2.0736 -2.0153 -2.0153 2.0580 2.0592 2.4301 2.4317 2.8130 2.8130 5.7748 5.7749 12.3877 12.3886 13.1673 13.1674 17.1746 17.1749 19.4147 19.4184 k =-0.5000 0.2847 0.0100 ( 1608 PWs) bands (ev): -72.8803 -72.8803 -43.3171 -43.3171 -37.0690 -37.0690 -36.8859 -36.8859 -15.8772 -15.8772 -14.8667 -14.8667 -2.0734 -2.0734 -2.0140 -2.0140 2.0559 2.0565 2.4365 2.4373 2.8136 2.8136 5.7697 5.7698 12.3837 12.3841 13.1657 13.1657 17.1741 17.1742 19.4357 19.4375 k =-0.5000 0.2847 0.0000 ( 1604 PWs) bands (ev): -72.8802 -72.8802 -43.3170 -43.3170 -37.0690 -37.0690 -36.8859 -36.8859 -15.8772 -15.8772 -14.8667 -14.8667 -2.0733 -2.0733 -2.0134 -2.0134 2.0555 2.0555 2.4389 2.4389 2.8138 2.8138 5.7683 5.7683 12.3827 12.3827 13.1652 13.1652 17.1740 17.1740 19.4435 19.4435 k = 0.0000 0.0000 0.4488 ( 1620 PWs) bands (ev): -72.8831 -72.8831 -43.2750 -43.2750 -37.0666 -37.0666 -36.8830 -36.8830 -15.9896 -15.9896 -15.2744 -15.2744 -2.1896 -2.1896 -2.0443 -2.0443 1.4310 1.4310 2.9082 2.9082 3.4664 3.4664 7.7534 7.7534 11.8077 11.8077 12.1165 12.1165 21.2805 21.2805 21.8015 21.8015 k =-0.0088 0.0050 0.4488 ( 1620 PWs) bands (ev): -72.8831 -72.8831 -43.2749 -43.2749 -37.0666 -37.0666 -36.8830 -36.8830 -15.9895 -15.9895 -15.2742 -15.2742 -2.1895 -2.1895 -2.0446 -2.0446 1.4308 1.4308 2.9081 2.9081 3.4656 3.4656 7.7526 7.7526 11.8092 11.8092 12.1182 12.1182 21.2803 21.2803 21.7756 21.7756 k =-0.0175 0.0100 0.4488 ( 1620 PWs) bands (ev): -72.8831 -72.8831 -43.2750 -43.2750 -37.0666 -37.0666 -36.8831 -36.8831 -15.9891 -15.9891 -15.2732 -15.2732 -2.1891 -2.1891 -2.0455 -2.0455 1.4301 1.4301 2.9075 2.9075 3.4634 3.4634 7.7497 7.7497 11.8139 11.8139 12.1234 12.1234 21.2792 21.2792 21.7019 21.7019 k =-0.0263 0.0150 0.4488 ( 1624 PWs) bands (ev): -72.8831 -72.8831 -43.2753 -43.2753 -37.0667 -37.0667 -36.8831 -36.8831 -15.9884 -15.9884 -15.2716 -15.2716 -2.1886 -2.1886 -2.0469 -2.0469 1.4290 1.4290 2.9065 2.9065 3.4598 3.4598 7.7444 7.7444 11.8217 11.8217 12.1319 12.1319 21.2772 21.2772 21.5892 21.5892 k =-0.0351 0.0200 0.4488 ( 1624 PWs) bands (ev): -72.8831 -72.8831 -43.2755 -43.2755 -37.0667 -37.0667 -36.8831 -36.8831 -15.9875 -15.9875 -15.2694 -15.2694 -2.1876 -2.1876 -2.0489 -2.0489 1.4274 1.4274 2.9051 2.9051 3.4548 3.4548 7.7376 7.7376 11.8325 11.8325 12.1438 12.1438 21.2747 21.2747 21.4481 21.4481 k =-0.0439 0.0250 0.4488 ( 1616 PWs) bands (ev): -72.8829 -72.8829 -43.2755 -43.2755 -37.0667 -37.0667 -36.8832 -36.8832 -15.9863 -15.9863 -15.2664 -15.2664 -2.1863 -2.1863 -2.0514 -2.0514 1.4255 1.4255 2.9034 2.9034 3.4485 3.4485 7.7295 7.7295 11.8464 11.8464 12.1591 12.1591 21.2702 21.2702 21.2885 21.2885 k =-0.0526 0.0300 0.4488 ( 1616 PWs) bands (ev): -72.8829 -72.8829 -43.2758 -43.2758 -37.0667 -37.0667 -36.8832 -36.8832 -15.9849 -15.9849 -15.2629 -15.2629 -2.1848 -2.1848 -2.0544 -2.0544 1.4231 1.4231 2.9013 2.9013 3.4407 3.4407 7.7190 7.7190 11.8632 11.8632 12.1777 12.1777 21.1118 21.1118 21.2683 21.2683 k =-0.0614 0.0350 0.4488 ( 1616 PWs) bands (ev): -72.8828 -72.8828 -43.2762 -43.2762 -37.0668 -37.0668 -36.8833 -36.8833 -15.9832 -15.9832 -15.2588 -15.2588 -2.1830 -2.1830 -2.0581 -2.0581 1.4202 1.4202 2.8988 2.8988 3.4316 3.4316 7.7070 7.7070 11.8828 11.8828 12.1995 12.1995 20.9283 20.9283 21.2638 21.2638 k =-0.0702 0.0400 0.4488 ( 1616 PWs) bands (ev): -72.8828 -72.8828 -43.2766 -43.2766 -37.0668 -37.0668 -36.8833 -36.8833 -15.9812 -15.9812 -15.2541 -15.2541 -2.1808 -2.1808 -2.0621 -2.0621 1.4170 1.4170 2.8959 2.8959 3.4213 3.4213 7.6930 7.6930 11.9052 11.9052 12.2245 12.2245 20.7389 20.7389 21.2586 21.2586 k =-0.0789 0.0450 0.4488 ( 1616 PWs) bands (ev): -72.8828 -72.8828 -43.2771 -43.2771 -37.0669 -37.0669 -36.8834 -36.8834 -15.9790 -15.9790 -15.2488 -15.2488 -2.1786 -2.1786 -2.0666 -2.0666 1.4134 1.4134 2.8927 2.8927 3.4098 3.4098 7.6774 7.6774 11.9303 11.9303 12.2525 12.2525 20.5462 20.5462 21.2529 21.2529 k =-0.0877 0.0500 0.4488 ( 1616 PWs) bands (ev): -72.8827 -72.8827 -43.2777 -43.2777 -37.0669 -37.0669 -36.8835 -36.8835 -15.9766 -15.9766 -15.2429 -15.2429 -2.1763 -2.1763 -2.0716 -2.0716 1.4095 1.4095 2.8891 2.8891 3.3970 3.3970 7.6602 7.6602 11.9579 11.9579 12.2836 12.2836 20.3517 20.3517 21.2466 21.2466 k =-0.0965 0.0550 0.4488 ( 1620 PWs) bands (ev): -72.8826 -72.8826 -43.2784 -43.2784 -37.0670 -37.0670 -36.8836 -36.8836 -15.9740 -15.9740 -15.2365 -15.2365 -2.1738 -2.1738 -2.0771 -2.0771 1.4051 1.4051 2.8853 2.8853 3.3833 3.3833 7.6415 7.6415 11.9879 11.9879 12.3175 12.3175 20.1567 20.1567 21.2397 21.2397 k =-0.1053 0.0599 0.4488 ( 1620 PWs) bands (ev): -72.8826 -72.8826 -43.2791 -43.2791 -37.0671 -37.0671 -36.8837 -36.8837 -15.9711 -15.9711 -15.2295 -15.2295 -2.1712 -2.1712 -2.0827 -2.0827 1.4006 1.4006 2.8811 2.8811 3.3684 3.3684 7.6214 7.6214 12.0202 12.0202 12.3542 12.3542 19.9621 19.9621 21.2323 21.2323 k =-0.1140 0.0649 0.4488 ( 1620 PWs) bands (ev): -72.8825 -72.8825 -43.2798 -43.2798 -37.0672 -37.0672 -36.8838 -36.8838 -15.9680 -15.9680 -15.2220 -15.2220 -2.1687 -2.1687 -2.0887 -2.0887 1.3957 1.3957 2.8766 2.8766 3.3527 3.3527 7.6000 7.6000 12.0547 12.0547 12.3936 12.3936 19.7685 19.7685 21.2243 21.2243 k =-0.1228 0.0699 0.4488 ( 1620 PWs) bands (ev): -72.8825 -72.8825 -43.2806 -43.2806 -37.0673 -37.0673 -36.8839 -36.8839 -15.9647 -15.9647 -15.2141 -15.2141 -2.1662 -2.1662 -2.0947 -2.0947 1.3905 1.3905 2.8718 2.8718 3.3360 3.3360 7.5774 7.5774 12.0912 12.0912 12.4356 12.4356 19.5767 19.5767 21.2158 21.2158 k =-0.1316 0.0749 0.4488 ( 1620 PWs) bands (ev): -72.8824 -72.8824 -43.2814 -43.2814 -37.0673 -37.0673 -36.8840 -36.8840 -15.9612 -15.9612 -15.2056 -15.2056 -2.1641 -2.1641 -2.1006 -2.1006 1.3851 1.3851 2.8667 2.8667 3.3186 3.3186 7.5536 7.5536 12.1296 12.1296 12.4800 12.4800 19.3868 19.3868 21.2069 21.2069 k =-0.1404 0.0799 0.4488 ( 1616 PWs) bands (ev): -72.8823 -72.8823 -43.2822 -43.2822 -37.0674 -37.0674 -36.8841 -36.8841 -15.9575 -15.9575 -15.1967 -15.1967 -2.1626 -2.1626 -2.1061 -2.1061 1.3795 1.3795 2.8614 2.8614 3.3005 3.3005 7.5291 7.5291 12.1698 12.1698 12.5267 12.5267 19.1995 19.1995 21.1976 21.1976 k =-0.1491 0.0849 0.4488 ( 1612 PWs) bands (ev): -72.8821 -72.8821 -43.2829 -43.2829 -37.0675 -37.0675 -36.8842 -36.8842 -15.9536 -15.9536 -15.1873 -15.1873 -2.1622 -2.1622 -2.1106 -2.1106 1.3738 1.3738 2.8558 2.8558 3.2818 3.2818 7.5035 7.5035 12.2117 12.2117 12.5756 12.5756 19.0150 19.0150 21.1878 21.1878 k =-0.1579 0.0899 0.4488 ( 1612 PWs) bands (ev): -72.8820 -72.8820 -43.2837 -43.2837 -37.0676 -37.0676 -36.8844 -36.8844 -15.9496 -15.9496 -15.1776 -15.1776 -2.1635 -2.1635 -2.1137 -2.1137 1.3678 1.3678 2.8500 2.8500 3.2624 3.2624 7.4770 7.4770 12.2550 12.2550 12.6265 12.6265 18.8334 18.8334 21.1772 21.1772 k =-0.1667 0.0949 0.4488 ( 1612 PWs) bands (ev): -72.8820 -72.8820 -43.2846 -43.2846 -37.0677 -37.0677 -36.8845 -36.8845 -15.9454 -15.9454 -15.1676 -15.1676 -2.1669 -2.1669 -2.1150 -2.1150 1.3617 1.3617 2.8440 2.8440 3.2425 3.2425 7.4496 7.4496 12.2994 12.2994 12.6794 12.6794 18.6549 18.6549 21.1666 21.1666 k =-0.1754 0.0999 0.4488 ( 1616 PWs) bands (ev): -72.8821 -72.8821 -43.2860 -43.2860 -37.0678 -37.0678 -36.8846 -36.8846 -15.9411 -15.9411 -15.1573 -15.1573 -2.1722 -2.1722 -2.1145 -2.1145 1.3555 1.3555 2.8378 2.8378 3.2222 3.2222 7.4208 7.4208 12.3449 12.3449 12.7339 12.7339 18.4798 18.4798 21.1556 21.1556 k =-0.1842 0.1049 0.4488 ( 1616 PWs) bands (ev): -72.8821 -72.8821 -43.2870 -43.2870 -37.0679 -37.0679 -36.8848 -36.8848 -15.9367 -15.9367 -15.1465 -15.1465 -2.1793 -2.1793 -2.1124 -2.1124 1.3492 1.3492 2.8314 2.8314 3.2017 3.2017 7.3918 7.3918 12.3916 12.3916 12.7900 12.7900 18.3084 18.3084 21.1438 21.1438 k =-0.1930 0.1099 0.4488 ( 1616 PWs) bands (ev): -72.8820 -72.8820 -43.2881 -43.2881 -37.0680 -37.0680 -36.8849 -36.8849 -15.9321 -15.9321 -15.1355 -15.1355 -2.1875 -2.1875 -2.1093 -2.1093 1.3429 1.3429 2.8249 2.8249 3.1808 3.1808 7.3623 7.3623 12.4392 12.4392 12.8475 12.8475 18.1406 18.1406 21.0654 21.0654 k =-0.2018 0.1149 0.4488 ( 1612 PWs) bands (ev): -72.8819 -72.8819 -43.2892 -43.2892 -37.0680 -37.0680 -36.8850 -36.8850 -15.9275 -15.9275 -15.1243 -15.1243 -2.1966 -2.1966 -2.1054 -2.1054 1.3366 1.3366 2.8183 2.8183 3.1599 3.1599 7.3324 7.3324 12.4876 12.4876 12.9063 12.9063 17.9767 17.9767 20.9409 20.9409 k =-0.2105 0.1199 0.4488 ( 1612 PWs) bands (ev): -72.8818 -72.8818 -43.2903 -43.2903 -37.0681 -37.0681 -36.8852 -36.8852 -15.9227 -15.9227 -15.1128 -15.1128 -2.2064 -2.2064 -2.1011 -2.1011 1.3302 1.3302 2.8116 2.8116 3.1388 3.1388 7.3020 7.3020 12.5366 12.5366 12.9662 12.9662 17.8167 17.8167 20.8187 20.8187 k =-0.2193 0.1249 0.4488 ( 1610 PWs) bands (ev): -72.8817 -72.8817 -43.2914 -43.2914 -37.0682 -37.0682 -36.8853 -36.8853 -15.9179 -15.9179 -15.1011 -15.1011 -2.2167 -2.2167 -2.0963 -2.0963 1.3239 1.3239 2.8048 2.8048 3.1178 3.1178 7.2713 7.2713 12.5860 12.5860 13.0271 13.0271 17.6609 17.6609 20.6991 20.6991 k =-0.2281 0.1299 0.4488 ( 1606 PWs) bands (ev): -72.8816 -72.8816 -43.2925 -43.2925 -37.0683 -37.0683 -36.8854 -36.8854 -15.9130 -15.9130 -15.0892 -15.0892 -2.2274 -2.2274 -2.0911 -2.0911 1.3177 1.3177 2.7979 2.7979 3.0968 3.0968 7.2404 7.2404 12.6357 12.6357 13.0888 13.0888 17.5092 17.5092 20.5824 20.5824 k =-0.2368 0.1349 0.4488 ( 1606 PWs) bands (ev): -72.8815 -72.8815 -43.2937 -43.2937 -37.0685 -37.0685 -36.8855 -36.8855 -15.9080 -15.9080 -15.0773 -15.0773 -2.2383 -2.2383 -2.0860 -2.0860 1.3115 1.3115 2.7910 2.7910 3.0758 3.0758 7.2093 7.2093 12.6857 12.6857 13.1510 13.1510 17.3615 17.3615 20.4687 20.4687 k =-0.2456 0.1399 0.4488 ( 1602 PWs) bands (ev): -72.8814 -72.8814 -43.2948 -43.2948 -37.0685 -37.0685 -36.8856 -36.8856 -15.9031 -15.9031 -15.0653 -15.0653 -2.2494 -2.2494 -2.0806 -2.0806 1.3054 1.3054 2.7841 2.7841 3.0551 3.0551 7.1782 7.1782 12.7359 12.7359 13.2137 13.2137 17.2181 17.2181 20.3579 20.3579 k =-0.2544 0.1449 0.4488 ( 1604 PWs) bands (ev): -72.8814 -72.8814 -43.2961 -43.2961 -37.0687 -37.0687 -36.8858 -36.8858 -15.8981 -15.8981 -15.0533 -15.0533 -2.2607 -2.2607 -2.0752 -2.0752 1.2995 1.2995 2.7772 2.7772 3.0345 3.0345 7.1467 7.1467 12.7859 12.7859 13.2766 13.2766 17.0789 17.0789 20.2502 20.2502 k =-0.2632 0.1499 0.4488 ( 1604 PWs) bands (ev): -72.8813 -72.8813 -43.2972 -43.2972 -37.0688 -37.0688 -36.8859 -36.8859 -15.8931 -15.8931 -15.0413 -15.0413 -2.2721 -2.2721 -2.0698 -2.0698 1.2937 1.2937 2.7702 2.7702 3.0143 3.0143 7.1156 7.1156 12.8359 12.8359 13.3396 13.3396 16.9441 16.9441 20.1456 20.1456 k =-0.2719 0.1549 0.4488 ( 1604 PWs) bands (ev): -72.8813 -72.8813 -43.2985 -43.2985 -37.0689 -37.0689 -36.8861 -36.8861 -15.8882 -15.8882 -15.0294 -15.0294 -2.2834 -2.2834 -2.0643 -2.0643 1.2880 1.2880 2.7633 2.7633 2.9943 2.9943 7.0843 7.0843 12.8854 12.8854 13.4026 13.4026 16.8136 16.8136 20.0442 20.0442 k =-0.2807 0.1599 0.4488 ( 1608 PWs) bands (ev): -72.8813 -72.8813 -43.2998 -43.2998 -37.0690 -37.0690 -36.8862 -36.8862 -15.8832 -15.8832 -15.0176 -15.0176 -2.2948 -2.2948 -2.0589 -2.0589 1.2825 1.2825 2.7565 2.7565 2.9748 2.9748 7.0532 7.0532 12.9347 12.9347 13.4653 13.4653 16.6875 16.6875 19.9460 19.9460 k =-0.2895 0.1649 0.4488 ( 1608 PWs) bands (ev): -72.8812 -72.8812 -43.3010 -43.3010 -37.0692 -37.0692 -36.8864 -36.8864 -15.8783 -15.8783 -15.0058 -15.0058 -2.3061 -2.3061 -2.0535 -2.0535 1.2772 1.2772 2.7497 2.7497 2.9558 2.9558 7.0228 7.0228 12.9836 12.9836 13.5276 13.5276 16.5659 16.5659 19.8511 19.8511 k =-0.2982 0.1698 0.4488 ( 1610 PWs) bands (ev): -72.8811 -72.8811 -43.3020 -43.3020 -37.0693 -37.0693 -36.8865 -36.8865 -15.8735 -15.8735 -14.9941 -14.9941 -2.3174 -2.3174 -2.0482 -2.0482 1.2721 1.2721 2.7430 2.7430 2.9373 2.9373 6.9928 6.9928 13.0319 13.0319 13.5893 13.5893 16.4490 16.4490 19.7594 19.7594 k =-0.3070 0.1748 0.4488 ( 1606 PWs) bands (ev): -72.8809 -72.8809 -43.3029 -43.3029 -37.0694 -37.0694 -36.8866 -36.8866 -15.8688 -15.8688 -14.9826 -14.9826 -2.3285 -2.3285 -2.0429 -2.0429 1.2673 1.2673 2.7364 2.7364 2.9193 2.9193 6.9632 6.9632 13.0797 13.0797 13.6503 13.6503 16.3364 16.3364 19.6712 19.6712 k =-0.3158 0.1798 0.4488 ( 1602 PWs) bands (ev): -72.8808 -72.8808 -43.3040 -43.3040 -37.0695 -37.0695 -36.8867 -36.8867 -15.8641 -15.8641 -14.9714 -14.9714 -2.3393 -2.3393 -2.0376 -2.0376 1.2627 1.2627 2.7300 2.7300 2.9019 2.9019 6.9343 6.9343 13.1266 13.1266 13.7103 13.7103 16.2282 16.2282 19.5863 19.5863 k =-0.3246 0.1848 0.4488 ( 1598 PWs) bands (ev): -72.8807 -72.8807 -43.3050 -43.3050 -37.0696 -37.0696 -36.8868 -36.8868 -15.8595 -15.8595 -14.9603 -14.9603 -2.3500 -2.3500 -2.0324 -2.0324 1.2583 1.2583 2.7238 2.7238 2.8852 2.8852 6.9060 6.9060 13.1726 13.1726 13.7691 13.7691 16.1248 16.1248 19.5049 19.5049 k =-0.3333 0.1898 0.4488 ( 1598 PWs) bands (ev): -72.8806 -72.8806 -43.3060 -43.3060 -37.0697 -37.0697 -36.8869 -36.8869 -15.8551 -15.8551 -14.9496 -14.9496 -2.3604 -2.3604 -2.0274 -2.0274 1.2541 1.2541 2.7176 2.7176 2.8690 2.8690 6.8783 6.8783 13.2177 13.2177 13.8266 13.8266 16.0257 16.0257 19.4270 19.4270 k =-0.3421 0.1948 0.4488 ( 1594 PWs) bands (ev): -72.8806 -72.8806 -43.3069 -43.3069 -37.0698 -37.0698 -36.8870 -36.8870 -15.8508 -15.8508 -14.9391 -14.9391 -2.3706 -2.3706 -2.0224 -2.0224 1.2501 1.2501 2.7117 2.7117 2.8536 2.8536 6.8515 6.8515 13.2617 13.2617 13.8826 13.8826 15.9312 15.9312 19.3526 19.3526 k =-0.3509 0.1998 0.4488 ( 1596 PWs) bands (ev): -72.8805 -72.8805 -43.3079 -43.3079 -37.0699 -37.0699 -36.8872 -36.8872 -15.8466 -15.8466 -14.9291 -14.9291 -2.3804 -2.3804 -2.0178 -2.0178 1.2464 1.2464 2.7060 2.7060 2.8388 2.8388 6.8254 6.8254 13.3042 13.3042 13.9370 13.9370 15.8412 15.8412 19.2818 19.2818 k =-0.3596 0.2048 0.4488 ( 1596 PWs) bands (ev): -72.8805 -72.8805 -43.3088 -43.3088 -37.0700 -37.0700 -36.8873 -36.8873 -15.8426 -15.8426 -14.9195 -14.9195 -2.3899 -2.3899 -2.0133 -2.0133 1.2430 1.2430 2.7005 2.7005 2.8248 2.8248 6.8003 6.8003 13.3458 13.3458 13.9894 13.9894 15.7556 15.7556 19.2147 19.2147 k =-0.3684 0.2098 0.4488 ( 1596 PWs) bands (ev): -72.8804 -72.8804 -43.3097 -43.3097 -37.0701 -37.0701 -36.8874 -36.8874 -15.8388 -15.8388 -14.9103 -14.9103 -2.3990 -2.3990 -2.0091 -2.0091 1.2398 1.2398 2.6952 2.6952 2.8115 2.8115 6.7763 6.7763 13.3859 13.3859 14.0398 14.0398 15.6747 15.6747 19.1512 19.1512 k =-0.3772 0.2148 0.4488 ( 1596 PWs) bands (ev): -72.8803 -72.8803 -43.3106 -43.3106 -37.0702 -37.0702 -36.8875 -36.8875 -15.8351 -15.8351 -14.9015 -14.9015 -2.4077 -2.4077 -2.0050 -2.0050 1.2368 1.2368 2.6902 2.6902 2.7991 2.7991 6.7534 6.7534 13.4245 13.4245 14.0880 14.0880 15.5983 15.5983 19.0914 19.0914 k =-0.3860 0.2198 0.4488 ( 1592 PWs) bands (ev): -72.8803 -72.8803 -43.3113 -43.3113 -37.0702 -37.0702 -36.8875 -36.8875 -15.8317 -15.8317 -14.8932 -14.8932 -2.4157 -2.4157 -2.0010 -2.0010 1.2341 1.2341 2.6854 2.6854 2.7875 2.7875 6.7317 6.7317 13.4616 13.4616 14.1339 14.1339 15.5266 15.5266 19.0355 19.0355 k =-0.3947 0.2248 0.4488 ( 1594 PWs) bands (ev): -72.8802 -72.8802 -43.3120 -43.3120 -37.0704 -37.0704 -36.8876 -36.8876 -15.8284 -15.8284 -14.8853 -14.8853 -2.4234 -2.4234 -1.9975 -1.9975 1.2316 1.2316 2.6808 2.6808 2.7767 2.7767 6.7114 6.7114 13.4970 13.4970 14.1772 14.1772 15.4597 15.4597 18.9834 18.9834 k =-0.4035 0.2298 0.4488 ( 1594 PWs) bands (ev): -72.8801 -72.8801 -43.3128 -43.3128 -37.0704 -37.0704 -36.8876 -36.8876 -15.8254 -15.8254 -14.8780 -14.8780 -2.4306 -2.4306 -1.9939 -1.9939 1.2293 1.2293 2.6766 2.6766 2.7667 2.7667 6.6921 6.6921 13.5304 13.5304 14.2177 14.2177 15.3973 15.3973 18.9351 18.9351 k =-0.4123 0.2348 0.4488 ( 1592 PWs) bands (ev): -72.8801 -72.8801 -43.3133 -43.3133 -37.0705 -37.0705 -36.8877 -36.8877 -15.8226 -15.8226 -14.8713 -14.8713 -2.4374 -2.4374 -1.9908 -1.9908 1.2273 1.2273 2.6727 2.6727 2.7575 2.7575 6.6746 6.6746 13.5620 13.5620 14.2554 14.2554 15.3398 15.3398 18.8908 18.8908 k =-0.4211 0.2398 0.4488 ( 1592 PWs) bands (ev): -72.8800 -72.8800 -43.3139 -43.3139 -37.0706 -37.0706 -36.8878 -36.8878 -15.8201 -15.8201 -14.8652 -14.8652 -2.4435 -2.4435 -1.9879 -1.9879 1.2254 1.2254 2.6691 2.6691 2.7493 2.7493 6.6584 6.6584 13.5913 13.5913 14.2899 14.2899 15.2871 15.2871 18.8506 18.8506 k =-0.4298 0.2448 0.4488 ( 1592 PWs) bands (ev): -72.8800 -72.8800 -43.3144 -43.3144 -37.0706 -37.0706 -36.8878 -36.8878 -15.8177 -15.8177 -14.8596 -14.8596 -2.4490 -2.4490 -1.9853 -1.9853 1.2238 1.2238 2.6658 2.6658 2.7419 2.7419 6.6437 6.6437 13.6183 13.6183 14.3213 14.3213 15.2393 15.2393 18.8144 18.8144 k =-0.4386 0.2498 0.4488 ( 1592 PWs) bands (ev): -72.8800 -72.8800 -43.3149 -43.3149 -37.0707 -37.0707 -36.8879 -36.8879 -15.8157 -15.8157 -14.8547 -14.8547 -2.4539 -2.4539 -1.9830 -1.9830 1.2224 1.2224 2.6629 2.6629 2.7353 2.7353 6.6306 6.6306 13.6428 13.6428 14.3493 14.3493 15.1967 15.1967 18.7823 18.7823 k =-0.4474 0.2548 0.4488 ( 1592 PWs) bands (ev): -72.8799 -72.8799 -43.3152 -43.3152 -37.0707 -37.0707 -36.8879 -36.8879 -15.8139 -15.8139 -14.8503 -14.8503 -2.4583 -2.4583 -1.9810 -1.9810 1.2212 1.2212 2.6603 2.6603 2.7297 2.7297 6.6192 6.6192 13.6646 13.6646 14.3739 14.3739 15.1592 15.1592 18.7543 18.7543 k =-0.4561 0.2598 0.4488 ( 1588 PWs) bands (ev): -72.8798 -72.8798 -43.3154 -43.3154 -37.0708 -37.0708 -36.8880 -36.8880 -15.8124 -15.8124 -14.8466 -14.8466 -2.4620 -2.4620 -1.9793 -1.9793 1.2202 1.2202 2.6581 2.6581 2.7249 2.7249 6.6096 6.6096 13.6835 13.6835 14.3949 14.3949 15.1274 15.1274 18.7306 18.7306 k =-0.4649 0.2648 0.4488 ( 1588 PWs) bands (ev): -72.8798 -72.8798 -43.3157 -43.3157 -37.0708 -37.0708 -36.8880 -36.8880 -15.8111 -15.8111 -14.8436 -14.8436 -2.4650 -2.4650 -1.9779 -1.9779 1.2194 1.2194 2.6563 2.6563 2.7210 2.7210 6.6015 6.6015 13.6992 13.6992 14.4122 14.4122 15.1009 15.1009 18.7112 18.7112 k =-0.4737 0.2698 0.4488 ( 1592 PWs) bands (ev): -72.8799 -72.8799 -43.3161 -43.3161 -37.0708 -37.0708 -36.8880 -36.8880 -15.8101 -15.8101 -14.8413 -14.8413 -2.4675 -2.4675 -1.9768 -1.9768 1.2187 1.2187 2.6549 2.6549 2.7179 2.7179 6.5951 6.5951 13.7116 13.7116 14.4257 14.4257 15.0799 15.0799 18.6960 18.6960 k =-0.4825 0.2748 0.4488 ( 1592 PWs) bands (ev): -72.8799 -72.8799 -43.3163 -43.3163 -37.0709 -37.0709 -36.8880 -36.8880 -15.8094 -15.8094 -14.8396 -14.8396 -2.4692 -2.4692 -1.9761 -1.9761 1.2183 1.2183 2.6538 2.6538 2.7158 2.7158 6.5906 6.5906 13.7207 13.7207 14.4355 14.4355 15.0650 15.0650 18.6851 18.6851 k =-0.4912 0.2798 0.4488 ( 1592 PWs) bands (ev): -72.8799 -72.8799 -43.3163 -43.3163 -37.0709 -37.0709 -36.8880 -36.8880 -15.8090 -15.8090 -14.8387 -14.8387 -2.4703 -2.4703 -1.9756 -1.9756 1.2181 1.2181 2.6532 2.6532 2.7145 2.7145 6.5878 6.5878 13.7260 13.7260 14.4414 14.4414 15.0559 15.0559 18.6786 18.6786 k =-0.5000 0.2847 0.4488 ( 1592 PWs) bands (ev): -72.8799 -72.8799 -43.3163 -43.3163 -37.0709 -37.0709 -36.8881 -36.8881 -15.8088 -15.8088 -14.8383 -14.8383 -2.4706 -2.4706 -1.9755 -1.9755 1.2180 1.2180 2.6530 2.6530 2.7140 2.7140 6.5869 6.5869 13.7279 13.7279 14.4433 14.4433 15.0529 15.0529 18.6764 18.6764 Writing output data file MgF2.save init_run : 2.04s CPU 11.11s WALL ( 1 calls) electrons : 301.32s CPU 310.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.30s CPU 1.51s WALL ( 1 calls) Called by electrons: c_bands : 301.29s CPU 309.71s WALL ( 1 calls) v_of_rho : 0.14s CPU 0.82s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.13s CPU 0.45s WALL ( 1 calls) newd : 0.29s CPU 0.40s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 572 calls) cegterg : 206.07s CPU 208.27s WALL ( 708 calls) Called by sum_band: Called by *egterg: h_psi : 95.92s CPU 101.90s WALL ( 11950 calls) s_psi : 2.44s CPU 3.44s WALL ( 11950 calls) g_psi : 0.15s CPU 0.25s WALL ( 10670 calls) cdiaghg : 79.71s CPU 78.39s WALL ( 11242 calls) cegterg:over : 18.20s CPU 15.96s WALL ( 10670 calls) cegterg:upda : 1.33s CPU 2.75s WALL ( 10670 calls) cegterg:last : 1.74s CPU 2.47s WALL ( 2387 calls) Called by h_psi: h_psi:vloc : 85.70s CPU 91.46s WALL ( 11950 calls) h_psi:vnl : 10.16s CPU 10.09s WALL ( 11950 calls) add_vuspsi : 1.11s CPU 2.60s WALL ( 11950 calls) General routines calbec : 9.04s CPU 7.42s WALL ( 11950 calls) fft : 0.35s CPU 1.63s WALL ( 19 calls) ffts : 0.01s CPU 0.06s WALL ( 4 calls) fftw : 82.03s CPU 87.42s WALL ( 883584 calls) interpolate : 0.06s CPU 0.11s WALL ( 4 calls) davcio : 0.02s CPU 3.54s WALL ( 1144 calls) Parallel routines fft_scatter : 57.65s CPU 60.59s WALL ( 883607 calls) PWSCF : 5m56.99s CPU 9m37.83s WALL This run was terminated on: 15:23: 5 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=