Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:11:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./MgSiN2.save/ 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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 26 7 812 380 64 Max 43 27 8 816 395 67 Sum 1531 937 287 29301 13935 2371 bravais-lattice index = 14 lattice parameter (alat) = 9.6790 a.u. unit-cell volume = 228.4674 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 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)= 9.678956 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.846458 celldm(5)= 0.846458 celldm(6)= 0.846458 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.846458 0.532456 0.000000 ) a(3) = ( 0.846458 0.244090 0.473212 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.589725 -0.968748 ) b(2) = ( 0.000000 1.878091 -0.968748 ) b(3) = ( 0.000000 0.000000 2.113220 ) PseudoPot. # 1 for Mg read from file: /users/gautes/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 PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 Mg 10.00 24.30500 Mg( 1.00) Si 4.00 28.08550 Si( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion 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_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 425 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 2) = ( 0.0076923 -0.0122287 -0.0074519), wk = 0.0023529 k( 3) = ( 0.0153846 -0.0244573 -0.0149038), wk = 0.0023529 k( 4) = ( 0.0230769 -0.0366860 -0.0223557), wk = 0.0023529 k( 5) = ( 0.0307692 -0.0489146 -0.0298076), wk = 0.0023529 k( 6) = ( 0.0384615 -0.0611433 -0.0372595), wk = 0.0023529 k( 7) = ( 0.0461539 -0.0733719 -0.0447114), wk = 0.0023529 k( 8) = ( 0.0538462 -0.0856006 -0.0521633), wk = 0.0023529 k( 9) = ( 0.0615385 -0.0978292 -0.0596152), wk = 0.0023529 k( 10) = ( 0.0692308 -0.1100579 -0.0670671), wk = 0.0023529 k( 11) = ( 0.0769231 -0.1222866 -0.0745191), wk = 0.0023529 k( 12) = ( 0.0846154 -0.1345152 -0.0819710), wk = 0.0023529 k( 13) = ( 0.0923077 -0.1467439 -0.0894229), wk = 0.0023529 k( 14) = ( 0.1000000 -0.1589725 -0.0968748), wk = 0.0023529 k( 15) = ( 0.1076923 -0.1712012 -0.1043267), wk = 0.0023529 k( 16) = ( 0.1153846 -0.1834298 -0.1117786), wk = 0.0023529 k( 17) = ( 0.1230769 -0.1956585 -0.1192305), wk = 0.0023529 k( 18) = ( 0.1307692 -0.2078872 -0.1266824), wk = 0.0023529 k( 19) = ( 0.1384615 -0.2201158 -0.1341343), wk = 0.0023529 k( 20) = ( 0.1461539 -0.2323445 -0.1415862), wk = 0.0023529 k( 21) = ( 0.1538461 -0.2445731 -0.1490381), wk = 0.0023529 k( 22) = ( 0.1615385 -0.2568018 -0.1564900), wk = 0.0023529 k( 23) = ( 0.1692308 -0.2690304 -0.1639419), wk = 0.0023529 k( 24) = ( 0.1769231 -0.2812591 -0.1713938), wk = 0.0023529 k( 25) = ( 0.1846154 -0.2934877 -0.1788457), wk = 0.0023529 k( 26) = ( 0.1923077 -0.3057164 -0.1862976), wk = 0.0023529 k( 27) = ( 0.2000000 -0.3179451 -0.1937495), wk = 0.0023529 k( 28) = ( 0.2076923 -0.3301737 -0.2012014), wk = 0.0023529 k( 29) = ( 0.2153846 -0.3424024 -0.2086534), wk = 0.0023529 k( 30) = ( 0.2230769 -0.3546310 -0.2161052), wk = 0.0023529 k( 31) = ( 0.2307692 -0.3668597 -0.2235572), wk = 0.0023529 k( 32) = ( 0.2384615 -0.3790883 -0.2310091), wk = 0.0023529 k( 33) = ( 0.2461539 -0.3913170 -0.2384610), wk = 0.0023529 k( 34) = ( 0.2538461 -0.4035456 -0.2459129), wk = 0.0023529 k( 35) = ( 0.2615385 -0.4157743 -0.2533648), wk = 0.0023529 k( 36) = ( 0.2692308 -0.4280030 -0.2608167), wk = 0.0023529 k( 37) = ( 0.2769231 -0.4402316 -0.2682686), wk = 0.0023529 k( 38) = ( 0.2846154 -0.4524603 -0.2757205), wk = 0.0023529 k( 39) = ( 0.2923077 -0.4646889 -0.2831724), wk = 0.0023529 k( 40) = ( 0.3000000 -0.4769176 -0.2906243), wk = 0.0023529 k( 41) = ( 0.3076923 -0.4891462 -0.2980762), wk = 0.0023529 k( 42) = ( 0.3153846 -0.5013749 -0.3055281), wk = 0.0023529 k( 43) = ( 0.3230769 -0.5136035 -0.3129800), wk = 0.0023529 k( 44) = ( 0.3307692 -0.5258322 -0.3204319), wk = 0.0023529 k( 45) = ( 0.3384615 -0.5380609 -0.3278838), wk = 0.0023529 k( 46) = ( 0.3461538 -0.5502895 -0.3353357), wk = 0.0023529 k( 47) = ( 0.3538462 -0.5625182 -0.3427876), wk = 0.0023529 k( 48) = ( 0.3615385 -0.5747468 -0.3502395), wk = 0.0023529 k( 49) = ( 0.3692308 -0.5869755 -0.3576915), wk = 0.0023529 k( 50) = ( 0.3769231 -0.5992041 -0.3651434), wk = 0.0023529 k( 51) = ( 0.3846154 -0.6114328 -0.3725953), wk = 0.0023529 k( 52) = ( 0.3923077 -0.6236615 -0.3800472), wk = 0.0023529 k( 53) = ( 0.4000000 -0.6358901 -0.3874991), wk = 0.0023529 k( 54) = ( 0.4076923 -0.6481188 -0.3949510), wk = 0.0023529 k( 55) = ( 0.4153846 -0.6603474 -0.4024029), wk = 0.0023529 k( 56) = ( 0.4230769 -0.6725761 -0.4098548), wk = 0.0023529 k( 57) = ( 0.4307692 -0.6848047 -0.4173067), wk = 0.0023529 k( 58) = ( 0.4384615 -0.6970334 -0.4247586), wk = 0.0023529 k( 59) = ( 0.4461539 -0.7092621 -0.4322105), wk = 0.0023529 k( 60) = ( 0.4538462 -0.7214907 -0.4396624), wk = 0.0023529 k( 61) = ( 0.4615385 -0.7337194 -0.4471143), wk = 0.0023529 k( 62) = ( 0.4692308 -0.7459480 -0.4545662), wk = 0.0023529 k( 63) = ( 0.4769231 -0.7581767 -0.4620181), wk = 0.0023529 k( 64) = ( 0.4846154 -0.7704053 -0.4694700), wk = 0.0023529 k( 65) = ( 0.4923077 -0.7826340 -0.4769219), wk = 0.0023529 k( 66) = ( 0.5000000 -0.7948626 -0.4843738), wk = 0.0023529 k( 67) = ( 0.5000000 -0.7948626 -0.4843738), wk = 0.0023529 k( 68) = ( 0.5000000 -0.7865600 -0.4979985), wk = 0.0023529 k( 69) = ( 0.5000000 -0.7782574 -0.5116232), wk = 0.0023529 k( 70) = ( 0.5000000 -0.7699548 -0.5252479), wk = 0.0023529 k( 71) = ( 0.5000000 -0.7616522 -0.5388725), wk = 0.0023529 k( 72) = ( 0.5000000 -0.7533496 -0.5524972), wk = 0.0023529 k( 73) = ( 0.5000000 -0.7450470 -0.5661219), wk = 0.0023529 k( 74) = ( 0.5000000 -0.7367444 -0.5797465), wk = 0.0023529 k( 75) = ( 0.5000000 -0.7284418 -0.5933712), wk = 0.0023529 k( 76) = ( 0.5000000 -0.7201392 -0.6069959), wk = 0.0023529 k( 77) = ( 0.5000000 -0.7118365 -0.6206205), wk = 0.0023529 k( 78) = ( 0.5000000 -0.7035339 -0.6342452), wk = 0.0023529 k( 79) = ( 0.5000000 -0.6952313 -0.6478699), wk = 0.0023529 k( 80) = ( 0.5000000 -0.6869287 -0.6614946), wk = 0.0023529 k( 81) = ( 0.5000000 -0.6786261 -0.6751192), wk = 0.0023529 k( 82) = ( 0.5000000 -0.6703235 -0.6887439), wk = 0.0023529 k( 83) = ( 0.5000000 -0.6620209 -0.7023686), wk = 0.0023529 k( 84) = ( 0.5000000 -0.6537183 -0.7159932), wk = 0.0023529 k( 85) = ( 0.5000000 -0.6454157 -0.7296179), wk = 0.0023529 k( 86) = ( 0.5000000 -0.6371131 -0.7432426), wk = 0.0023529 k( 87) = ( 0.5000000 -0.6288105 -0.7568672), wk = 0.0023529 k( 88) = ( 0.5000000 -0.6205078 -0.7704919), wk = 0.0023529 k( 89) = ( 0.5000000 -0.6122052 -0.7841166), wk = 0.0023529 k( 90) = ( 0.5000000 -0.6039026 -0.7977413), wk = 0.0023529 k( 91) = ( 0.5000000 -0.5956000 -0.8113659), wk = 0.0023529 k( 92) = ( 0.5000000 -0.5872974 -0.8249906), wk = 0.0023529 k( 93) = ( 0.5000000 -0.5789948 -0.8386153), wk = 0.0023529 k( 94) = ( 0.5000000 -0.5706922 -0.8522399), wk = 0.0023529 k( 95) = ( 0.5000000 -0.5623896 -0.8658646), wk = 0.0023529 k( 96) = ( 0.5000000 -0.5540870 -0.8794893), wk = 0.0023529 k( 97) = ( 0.5000000 -0.5457844 -0.8931139), wk = 0.0023529 k( 98) = ( 0.5000000 -0.5374818 -0.9067386), wk = 0.0023529 k( 99) = ( 0.5000000 -0.5291791 -0.9203633), wk = 0.0023529 k( 100) = ( 0.5000000 -0.5208765 -0.9339880), wk = 0.0023529 k( 101) = ( 0.5000000 -0.5125739 -0.9476126), wk = 0.0023529 k( 102) = ( 0.5000000 -0.5042713 -0.9612373), wk = 0.0023529 k( 103) = ( 0.5000000 -0.4959687 -0.9748620), wk = 0.0023529 k( 104) = ( 0.5000000 -0.4876661 -0.9884866), wk = 0.0023529 k( 105) = ( 0.5000000 -0.4793635 -1.0021113), wk = 0.0023529 k( 106) = ( 0.5000000 -0.4710609 -1.0157360), wk = 0.0023529 k( 107) = ( 0.5000000 -0.4627583 -1.0293606), wk = 0.0023529 k( 108) = ( 0.5000000 -0.4544557 -1.0429853), wk = 0.0023529 k( 109) = ( 0.5000000 -0.4461531 -1.0566100), wk = 0.0023529 k( 110) = ( 0.8143277 -0.3555117 -0.8808854), wk = 0.0023529 k( 111) = ( 0.8098373 -0.3483732 -0.8670462), wk = 0.0023529 k( 112) = ( 0.8053469 -0.3412347 -0.8532069), wk = 0.0023529 k( 113) = ( 0.8008565 -0.3340962 -0.8393676), wk = 0.0023529 k( 114) = ( 0.7963661 -0.3269577 -0.8255284), wk = 0.0023529 k( 115) = ( 0.7918757 -0.3198192 -0.8116891), wk = 0.0023529 k( 116) = ( 0.7873853 -0.3126807 -0.7978499), wk = 0.0023529 k( 117) = ( 0.7828949 -0.3055422 -0.7840106), wk = 0.0023529 k( 118) = ( 0.7784045 -0.2984037 -0.7701714), wk = 0.0023529 k( 119) = ( 0.7739141 -0.2912652 -0.7563321), wk = 0.0023529 k( 120) = ( 0.7694237 -0.2841267 -0.7424929), wk = 0.0023529 k( 121) = ( 0.7649333 -0.2769882 -0.7286536), wk = 0.0023529 k( 122) = ( 0.7604429 -0.2698497 -0.7148144), wk = 0.0023529 k( 123) = ( 0.7559525 -0.2627113 -0.7009751), wk = 0.0023529 k( 124) = ( 0.7514621 -0.2555728 -0.6871359), wk = 0.0023529 k( 125) = ( 0.7469717 -0.2484343 -0.6732966), wk = 0.0023529 k( 126) = ( 0.7424813 -0.2412958 -0.6594574), wk = 0.0023529 k( 127) = ( 0.7379910 -0.2341573 -0.6456181), wk = 0.0023529 k( 128) = ( 0.7335006 -0.2270188 -0.6317789), wk = 0.0023529 k( 129) = ( 0.7290102 -0.2198803 -0.6179396), wk = 0.0023529 k( 130) = ( 0.7245198 -0.2127418 -0.6041003), wk = 0.0023529 k( 131) = ( 0.7200294 -0.2056033 -0.5902611), wk = 0.0023529 k( 132) = ( 0.7155390 -0.1984648 -0.5764218), wk = 0.0023529 k( 133) = ( 0.7110486 -0.1913263 -0.5625826), wk = 0.0023529 k( 134) = ( 0.7065582 -0.1841878 -0.5487433), wk = 0.0023529 k( 135) = ( 0.7020678 -0.1770493 -0.5349041), wk = 0.0023529 k( 136) = ( 0.6975774 -0.1699108 -0.5210648), wk = 0.0023529 k( 137) = ( 0.6930870 -0.1627723 -0.5072256), wk = 0.0023529 k( 138) = ( 0.6885966 -0.1556338 -0.4933863), wk = 0.0023529 k( 139) = ( 0.6841062 -0.1484953 -0.4795471), wk = 0.0023529 k( 140) = ( 0.6796158 -0.1413568 -0.4657078), wk = 0.0023529 k( 141) = ( 0.6751254 -0.1342183 -0.4518686), wk = 0.0023529 k( 142) = ( 0.6706350 -0.1270799 -0.4380293), wk = 0.0023529 k( 143) = ( 0.6661446 -0.1199414 -0.4241901), wk = 0.0023529 k( 144) = ( 0.6616542 -0.1128029 -0.4103508), wk = 0.0023529 k( 145) = ( 0.6571638 -0.1056644 -0.3965116), wk = 0.0023529 k( 146) = ( 0.6526734 -0.0985259 -0.3826723), wk = 0.0023529 k( 147) = ( 0.6481830 -0.0913874 -0.3688330), wk = 0.0023529 k( 148) = ( 0.6436926 -0.0842489 -0.3549938), wk = 0.0023529 k( 149) = ( 0.6392022 -0.0771104 -0.3411545), wk = 0.0023529 k( 150) = ( 0.6347119 -0.0699719 -0.3273153), wk = 0.0023529 k( 151) = ( 0.6302215 -0.0628334 -0.3134760), wk = 0.0023529 k( 152) = ( 0.6257311 -0.0556949 -0.2996368), wk = 0.0023529 k( 153) = ( 0.6212407 -0.0485564 -0.2857975), wk = 0.0023529 k( 154) = ( 0.6167503 -0.0414179 -0.2719583), wk = 0.0023529 k( 155) = ( 0.6122599 -0.0342794 -0.2581190), wk = 0.0023529 k( 156) = ( 0.6077695 -0.0271409 -0.2442798), wk = 0.0023529 k( 157) = ( 0.6032791 -0.0200024 -0.2304405), wk = 0.0023529 k( 158) = ( 0.5987887 -0.0128639 -0.2166013), wk = 0.0023529 k( 159) = ( 0.5942983 -0.0057254 -0.2027620), wk = 0.0023529 k( 160) = ( 0.5898079 0.0014131 -0.1889228), wk = 0.0023529 k( 161) = ( 0.5853175 0.0085515 -0.1750835), wk = 0.0023529 k( 162) = ( 0.5808271 0.0156900 -0.1612443), wk = 0.0023529 k( 163) = ( 0.5763367 0.0228285 -0.1474050), wk = 0.0023529 k( 164) = ( 0.5718463 0.0299670 -0.1335657), wk = 0.0023529 k( 165) = ( 0.5673559 0.0371055 -0.1197265), wk = 0.0023529 k( 166) = ( 0.5628655 0.0442440 -0.1058872), wk = 0.0023529 k( 167) = ( 0.5583751 0.0513825 -0.0920480), wk = 0.0023529 k( 168) = ( 0.5538847 0.0585210 -0.0782087), wk = 0.0023529 k( 169) = ( 0.5493944 0.0656595 -0.0643695), wk = 0.0023529 k( 170) = ( 0.5449040 0.0727980 -0.0505302), wk = 0.0023529 k( 171) = ( 0.5404136 0.0799365 -0.0366910), wk = 0.0023529 k( 172) = ( 0.5359232 0.0870750 -0.0228517), wk = 0.0023529 k( 173) = ( 0.5314328 0.0942135 -0.0090125), wk = 0.0023529 k( 174) = ( 0.5269424 0.1013520 0.0048268), wk = 0.0023529 k( 175) = ( 0.5224520 0.1084905 0.0186660), wk = 0.0023529 k( 176) = ( 0.5179616 0.1156290 0.0325053), wk = 0.0023529 k( 177) = ( 0.5134712 0.1227675 0.0463445), wk = 0.0023529 k( 178) = ( 0.5089808 0.1299060 0.0601838), wk = 0.0023529 k( 179) = ( 0.5044904 0.1370444 0.0740230), wk = 0.0023529 k( 180) = ( 0.5000000 0.1441829 0.0878623), wk = 0.0023529 k( 181) = ( 0.5000000 0.1441829 0.0878623), wk = 0.0023529 k( 182) = ( 0.4848485 0.1398138 0.0851998), wk = 0.0023529 k( 183) = ( 0.4696970 0.1354446 0.0825373), wk = 0.0023529 k( 184) = ( 0.4545455 0.1310754 0.0798748), wk = 0.0023529 k( 185) = ( 0.4393939 0.1267062 0.0772123), wk = 0.0023529 k( 186) = ( 0.4242424 0.1223370 0.0745498), wk = 0.0023529 k( 187) = ( 0.4090909 0.1179679 0.0718873), wk = 0.0023529 k( 188) = ( 0.3939394 0.1135987 0.0692248), wk = 0.0023529 k( 189) = ( 0.3787879 0.1092295 0.0665623), wk = 0.0023529 k( 190) = ( 0.3636364 0.1048603 0.0638998), wk = 0.0023529 k( 191) = ( 0.3484849 0.1004911 0.0612374), wk = 0.0023529 k( 192) = ( 0.3333333 0.0961220 0.0585749), wk = 0.0023529 k( 193) = ( 0.3181818 0.0917528 0.0559124), wk = 0.0023529 k( 194) = ( 0.3030303 0.0873836 0.0532499), wk = 0.0023529 k( 195) = ( 0.2878788 0.0830144 0.0505874), wk = 0.0023529 k( 196) = ( 0.2727273 0.0786452 0.0479249), wk = 0.0023529 k( 197) = ( 0.2575758 0.0742761 0.0452624), wk = 0.0023529 k( 198) = ( 0.2424242 0.0699069 0.0425999), wk = 0.0023529 k( 199) = ( 0.2272727 0.0655377 0.0399374), wk = 0.0023529 k( 200) = ( 0.2121212 0.0611685 0.0372749), wk = 0.0023529 k( 201) = ( 0.1969697 0.0567993 0.0346124), wk = 0.0023529 k( 202) = ( 0.1818182 0.0524302 0.0319499), wk = 0.0023529 k( 203) = ( 0.1666667 0.0480610 0.0292874), wk = 0.0023529 k( 204) = ( 0.1515151 0.0436918 0.0266249), wk = 0.0023529 k( 205) = ( 0.1363636 0.0393226 0.0239624), wk = 0.0023529 k( 206) = ( 0.1212121 0.0349534 0.0212999), wk = 0.0023529 k( 207) = ( 0.1060606 0.0305843 0.0186375), wk = 0.0023529 k( 208) = ( 0.0909091 0.0262151 0.0159750), wk = 0.0023529 k( 209) = ( 0.0757576 0.0218459 0.0133125), wk = 0.0023529 k( 210) = ( 0.0606061 0.0174767 0.0106500), wk = 0.0023529 k( 211) = ( 0.0454546 0.0131075 0.0079875), wk = 0.0023529 k( 212) = ( 0.0303030 0.0087384 0.0053250), wk = 0.0023529 k( 213) = ( 0.0151515 0.0043692 0.0026625), wk = 0.0023529 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 215) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 216) = ( 0.0045110 -0.0071713 -0.0139028), wk = 0.0023529 k( 217) = ( 0.0090220 -0.0143425 -0.0278055), wk = 0.0023529 k( 218) = ( 0.0135330 -0.0215138 -0.0417083), wk = 0.0023529 k( 219) = ( 0.0180440 -0.0286850 -0.0556111), wk = 0.0023529 k( 220) = ( 0.0225550 -0.0358563 -0.0695138), wk = 0.0023529 k( 221) = ( 0.0270660 -0.0430275 -0.0834166), wk = 0.0023529 k( 222) = ( 0.0315770 -0.0501988 -0.0973194), wk = 0.0023529 k( 223) = ( 0.0360880 -0.0573700 -0.1112221), wk = 0.0023529 k( 224) = ( 0.0405990 -0.0645413 -0.1251249), wk = 0.0023529 k( 225) = ( 0.0451100 -0.0717125 -0.1390276), wk = 0.0023529 k( 226) = ( 0.0496210 -0.0788838 -0.1529304), wk = 0.0023529 k( 227) = ( 0.0541320 -0.0860551 -0.1668332), wk = 0.0023529 k( 228) = ( 0.0586430 -0.0932263 -0.1807359), wk = 0.0023529 k( 229) = ( 0.0631540 -0.1003976 -0.1946387), wk = 0.0023529 k( 230) = ( 0.0676650 -0.1075688 -0.2085414), wk = 0.0023529 k( 231) = ( 0.0721760 -0.1147401 -0.2224442), wk = 0.0023529 k( 232) = ( 0.0766870 -0.1219113 -0.2363470), wk = 0.0023529 k( 233) = ( 0.0811980 -0.1290826 -0.2502497), wk = 0.0023529 k( 234) = ( 0.0857090 -0.1362538 -0.2641525), wk = 0.0023529 k( 235) = ( 0.0902200 -0.1434251 -0.2780552), wk = 0.0023529 k( 236) = ( 0.0947310 -0.1505963 -0.2919580), wk = 0.0023529 k( 237) = ( 0.0992420 -0.1577676 -0.3058608), wk = 0.0023529 k( 238) = ( 0.1037530 -0.1649388 -0.3197635), wk = 0.0023529 k( 239) = ( 0.1082641 -0.1721101 -0.3336663), wk = 0.0023529 k( 240) = ( 0.1127751 -0.1792814 -0.3475691), wk = 0.0023529 k( 241) = ( 0.1172861 -0.1864526 -0.3614718), wk = 0.0023529 k( 242) = ( 0.1217971 -0.1936239 -0.3753746), wk = 0.0023529 k( 243) = ( 0.1263081 -0.2007951 -0.3892774), wk = 0.0023529 k( 244) = ( 0.1308191 -0.2079664 -0.4031801), wk = 0.0023529 k( 245) = ( 0.1353301 -0.2151376 -0.4170829), wk = 0.0023529 k( 246) = ( 0.1398411 -0.2223089 -0.4309857), wk = 0.0023529 k( 247) = ( 0.1443521 -0.2294801 -0.4448884), wk = 0.0023529 k( 248) = ( 0.1488631 -0.2366514 -0.4587912), wk = 0.0023529 k( 249) = ( 0.1533741 -0.2438227 -0.4726939), wk = 0.0023529 k( 250) = ( 0.1578851 -0.2509939 -0.4865967), wk = 0.0023529 k( 251) = ( 0.1623961 -0.2581652 -0.5004995), wk = 0.0023529 k( 252) = ( 0.1669071 -0.2653364 -0.5144022), wk = 0.0023529 k( 253) = ( 0.1714181 -0.2725077 -0.5283050), wk = 0.0023529 k( 254) = ( 0.1759291 -0.2796789 -0.5422078), wk = 0.0023529 k( 255) = ( 0.1804401 -0.2868502 -0.5561105), wk = 0.0023529 k( 256) = ( 0.1849511 -0.2940214 -0.5700133), wk = 0.0023529 k( 257) = ( 0.1894621 -0.3011927 -0.5839160), wk = 0.0023529 k( 258) = ( 0.1939731 -0.3083639 -0.5978188), wk = 0.0023529 k( 259) = ( 0.1984841 -0.3155352 -0.6117216), wk = 0.0023529 k( 260) = ( 0.2029951 -0.3227064 -0.6256243), wk = 0.0023529 k( 261) = ( 0.2075061 -0.3298777 -0.6395271), wk = 0.0023529 k( 262) = ( 0.2120171 -0.3370489 -0.6534298), wk = 0.0023529 k( 263) = ( 0.2165281 -0.3442202 -0.6673326), wk = 0.0023529 k( 264) = ( 0.2210391 -0.3513915 -0.6812354), wk = 0.0023529 k( 265) = ( 0.2255501 -0.3585627 -0.6951381), wk = 0.0023529 k( 266) = ( 0.2300611 -0.3657340 -0.7090409), wk = 0.0023529 k( 267) = ( 0.2345721 -0.3729052 -0.7229436), wk = 0.0023529 k( 268) = ( 0.2390831 -0.3800765 -0.7368464), wk = 0.0023529 k( 269) = ( 0.2435941 -0.3872477 -0.7507492), wk = 0.0023529 k( 270) = ( 0.2481051 -0.3944190 -0.7646519), wk = 0.0023529 k( 271) = ( 0.2526161 -0.4015902 -0.7785547), wk = 0.0023529 k( 272) = ( 0.2571271 -0.4087615 -0.7924575), wk = 0.0023529 k( 273) = ( 0.2616381 -0.4159327 -0.8063602), wk = 0.0023529 k( 274) = ( 0.2661491 -0.4231040 -0.8202630), wk = 0.0023529 k( 275) = ( 0.2706601 -0.4302752 -0.8341658), wk = 0.0023529 k( 276) = ( 0.2751711 -0.4374465 -0.8480685), wk = 0.0023529 k( 277) = ( 0.2796821 -0.4446178 -0.8619713), wk = 0.0023529 k( 278) = ( 0.2841931 -0.4517890 -0.8758741), wk = 0.0023529 k( 279) = ( 0.2887041 -0.4589603 -0.8897768), wk = 0.0023529 k( 280) = ( 0.2932151 -0.4661315 -0.9036796), wk = 0.0023529 k( 281) = ( 0.2977262 -0.4733028 -0.9175824), wk = 0.0023529 k( 282) = ( 0.3022372 -0.4804740 -0.9314851), wk = 0.0023529 k( 283) = ( 0.3067481 -0.4876453 -0.9453879), wk = 0.0023529 k( 284) = ( 0.3112591 -0.4948165 -0.9592906), wk = 0.0023529 k( 285) = ( 0.3157702 -0.5019878 -0.9731934), wk = 0.0023529 k( 286) = ( 0.3202812 -0.5091591 -0.9870962), wk = 0.0023529 k( 287) = ( 0.3247922 -0.5163303 -1.0009989), wk = 0.0023529 k( 288) = ( 0.3293032 -0.5235016 -1.0149017), wk = 0.0023529 k( 289) = ( 0.3338142 -0.5306728 -1.0288044), wk = 0.0023529 k( 290) = ( 0.3383252 -0.5378441 -1.0427072), wk = 0.0023529 k( 291) = ( 0.3428362 -0.5450153 -1.0566100), wk = 0.0023529 k( 292) = ( 0.6571638 -0.4008324 -0.9687477), wk = 0.0023529 k( 293) = ( 0.6526734 -0.3852605 -0.9687477), wk = 0.0023529 k( 294) = ( 0.6481830 -0.3696886 -0.9687477), wk = 0.0023529 k( 295) = ( 0.6436926 -0.3541168 -0.9687477), wk = 0.0023529 k( 296) = ( 0.6392022 -0.3385449 -0.9687477), wk = 0.0023529 k( 297) = ( 0.6347119 -0.3229731 -0.9687477), wk = 0.0023529 k( 298) = ( 0.6302215 -0.3074012 -0.9687477), wk = 0.0023529 k( 299) = ( 0.6257311 -0.2918293 -0.9687477), wk = 0.0023529 k( 300) = ( 0.6212407 -0.2762574 -0.9687477), wk = 0.0023529 k( 301) = ( 0.6167503 -0.2606856 -0.9687477), wk = 0.0023529 k( 302) = ( 0.6122599 -0.2451137 -0.9687477), wk = 0.0023529 k( 303) = ( 0.6077695 -0.2295418 -0.9687477), wk = 0.0023529 k( 304) = ( 0.6032791 -0.2139700 -0.9687477), wk = 0.0023529 k( 305) = ( 0.5987887 -0.1983981 -0.9687477), wk = 0.0023529 k( 306) = ( 0.5942983 -0.1828262 -0.9687477), wk = 0.0023529 k( 307) = ( 0.5898079 -0.1672544 -0.9687477), wk = 0.0023529 k( 308) = ( 0.5853175 -0.1516825 -0.9687477), wk = 0.0023529 k( 309) = ( 0.5808271 -0.1361106 -0.9687477), wk = 0.0023529 k( 310) = ( 0.5763367 -0.1205388 -0.9687477), wk = 0.0023529 k( 311) = ( 0.5718463 -0.1049669 -0.9687477), wk = 0.0023529 k( 312) = ( 0.5673559 -0.0893951 -0.9687477), wk = 0.0023529 k( 313) = ( 0.5628655 -0.0738232 -0.9687477), wk = 0.0023529 k( 314) = ( 0.5583751 -0.0582513 -0.9687477), wk = 0.0023529 k( 315) = ( 0.5538847 -0.0426794 -0.9687477), wk = 0.0023529 k( 316) = ( 0.5493944 -0.0271076 -0.9687477), wk = 0.0023529 k( 317) = ( 0.5449040 -0.0115357 -0.9687477), wk = 0.0023529 k( 318) = ( 0.5404136 0.0040361 -0.9687477), wk = 0.0023529 k( 319) = ( 0.5359232 0.0196080 -0.9687477), wk = 0.0023529 k( 320) = ( 0.5314328 0.0351799 -0.9687477), wk = 0.0023529 k( 321) = ( 0.5269424 0.0507518 -0.9687477), wk = 0.0023529 k( 322) = ( 0.5224520 0.0663236 -0.9687477), wk = 0.0023529 k( 323) = ( 0.5179616 0.0818955 -0.9687477), wk = 0.0023529 k( 324) = ( 0.5134712 0.0974673 -0.9687477), wk = 0.0023529 k( 325) = ( 0.5089808 0.1130392 -0.9687477), wk = 0.0023529 k( 326) = ( 0.5044904 0.1286111 -0.9687477), wk = 0.0023529 k( 327) = ( 0.5000000 0.1441829 -0.9687477), wk = 0.0023529 k( 328) = ( 0.5000000 0.1441829 -0.9687477), wk = 0.0023529 k( 329) = ( 0.5130970 0.1479597 -0.9614258), wk = 0.0023529 k( 330) = ( 0.5261940 0.1517364 -0.9541040), wk = 0.0023529 k( 331) = ( 0.5392910 0.1555131 -0.9467821), wk = 0.0023529 k( 332) = ( 0.5523879 0.1592898 -0.9394602), wk = 0.0023529 k( 333) = ( 0.5654849 0.1630666 -0.9321384), wk = 0.0023529 k( 334) = ( 0.5785819 0.1668433 -0.9248165), wk = 0.0023529 k( 335) = ( 0.5916789 0.1706200 -0.9174947), wk = 0.0023529 k( 336) = ( 0.6047759 0.1743967 -0.9101728), wk = 0.0023529 k( 337) = ( 0.6178729 0.1781735 -0.9028510), wk = 0.0023529 k( 338) = ( 0.6309699 0.1819502 -0.8955291), wk = 0.0023529 k( 339) = ( 0.6440668 0.1857269 -0.8882073), wk = 0.0023529 k( 340) = ( 0.6571638 0.1895036 -0.8808854), wk = 0.0023529 k( 341) = ( 0.6571638 0.1895036 -0.8808854), wk = 0.0023529 k( 342) = ( 0.6545874 0.1887607 -0.8650043), wk = 0.0023529 k( 343) = ( 0.6520109 0.1880177 -0.8491232), wk = 0.0023529 k( 344) = ( 0.6494345 0.1872748 -0.8332421), wk = 0.0023529 k( 345) = ( 0.6468580 0.1865318 -0.8173610), wk = 0.0023529 k( 346) = ( 0.6442815 0.1857888 -0.8014798), wk = 0.0023529 k( 347) = ( 0.6417051 0.1850459 -0.7855987), wk = 0.0023529 k( 348) = ( 0.6391286 0.1843029 -0.7697176), wk = 0.0023529 k( 349) = ( 0.6365522 0.1835599 -0.7538365), wk = 0.0023529 k( 350) = ( 0.6339757 0.1828170 -0.7379554), wk = 0.0023529 k( 351) = ( 0.6313993 0.1820740 -0.7220743), wk = 0.0023529 k( 352) = ( 0.6288228 0.1813311 -0.7061932), wk = 0.0023529 k( 353) = ( 0.6262464 0.1805881 -0.6903121), wk = 0.0023529 k( 354) = ( 0.6236699 0.1798451 -0.6744310), wk = 0.0023529 k( 355) = ( 0.6210934 0.1791022 -0.6585499), wk = 0.0023529 k( 356) = ( 0.6185170 0.1783592 -0.6426688), wk = 0.0023529 k( 357) = ( 0.6159405 0.1776162 -0.6267876), wk = 0.0023529 k( 358) = ( 0.6133641 0.1768733 -0.6109065), wk = 0.0023529 k( 359) = ( 0.6107876 0.1761303 -0.5950254), wk = 0.0023529 k( 360) = ( 0.6082112 0.1753874 -0.5791443), wk = 0.0023529 k( 361) = ( 0.6056347 0.1746444 -0.5632632), wk = 0.0023529 k( 362) = ( 0.6030583 0.1739014 -0.5473821), wk = 0.0023529 k( 363) = ( 0.6004818 0.1731585 -0.5315010), wk = 0.0023529 k( 364) = ( 0.5979053 0.1724155 -0.5156199), wk = 0.0023529 k( 365) = ( 0.5953289 0.1716725 -0.4997388), wk = 0.0023529 k( 366) = ( 0.5927524 0.1709296 -0.4838577), wk = 0.0023529 k( 367) = ( 0.5901760 0.1701866 -0.4679766), wk = 0.0023529 k( 368) = ( 0.5875995 0.1694437 -0.4520954), wk = 0.0023529 k( 369) = ( 0.5850231 0.1687007 -0.4362143), wk = 0.0023529 k( 370) = ( 0.5824466 0.1679577 -0.4203332), wk = 0.0023529 k( 371) = ( 0.5798701 0.1672148 -0.4044521), wk = 0.0023529 k( 372) = ( 0.5772937 0.1664718 -0.3885710), wk = 0.0023529 k( 373) = ( 0.5747172 0.1657288 -0.3726899), wk = 0.0023529 k( 374) = ( 0.5721408 0.1649859 -0.3568088), wk = 0.0023529 k( 375) = ( 0.5695643 0.1642429 -0.3409277), wk = 0.0023529 k( 376) = ( 0.5669879 0.1635000 -0.3250466), wk = 0.0023529 k( 377) = ( 0.5644114 0.1627570 -0.3091655), wk = 0.0023529 k( 378) = ( 0.5618350 0.1620140 -0.2932843), wk = 0.0023529 k( 379) = ( 0.5592585 0.1612711 -0.2774032), wk = 0.0023529 k( 380) = ( 0.5566820 0.1605281 -0.2615221), wk = 0.0023529 k( 381) = ( 0.5541056 0.1597852 -0.2456410), wk = 0.0023529 k( 382) = ( 0.5515291 0.1590422 -0.2297599), wk = 0.0023529 k( 383) = ( 0.5489527 0.1582992 -0.2138788), wk = 0.0023529 k( 384) = ( 0.5463762 0.1575563 -0.1979977), wk = 0.0023529 k( 385) = ( 0.5437998 0.1568133 -0.1821166), wk = 0.0023529 k( 386) = ( 0.5412233 0.1560703 -0.1662355), wk = 0.0023529 k( 387) = ( 0.5386468 0.1553274 -0.1503544), wk = 0.0023529 k( 388) = ( 0.5360704 0.1545844 -0.1344733), wk = 0.0023529 k( 389) = ( 0.5334939 0.1538415 -0.1185921), wk = 0.0023529 k( 390) = ( 0.5309175 0.1530985 -0.1027110), wk = 0.0023529 k( 391) = ( 0.5283410 0.1523555 -0.0868299), wk = 0.0023529 k( 392) = ( 0.5257646 0.1516126 -0.0709488), wk = 0.0023529 k( 393) = ( 0.5231881 0.1508696 -0.0550677), wk = 0.0023529 k( 394) = ( 0.5206116 0.1501266 -0.0391866), wk = 0.0023529 k( 395) = ( 0.5180352 0.1493837 -0.0233055), wk = 0.0023529 k( 396) = ( 0.5154587 0.1486407 -0.0074244), wk = 0.0023529 k( 397) = ( 0.5128823 0.1478978 0.0084567), wk = 0.0023529 k( 398) = ( 0.5103058 0.1471548 0.0243378), wk = 0.0023529 k( 399) = ( 0.5077294 0.1464118 0.0402190), wk = 0.0023529 k( 400) = ( 0.5051529 0.1456689 0.0561001), wk = 0.0023529 k( 401) = ( 0.5025765 0.1449259 0.0719812), wk = 0.0023529 k( 402) = ( 0.5000000 0.1441829 0.0878623), wk = 0.0023529 k( 403) = ( 0.5000000 -0.7948626 -0.4843738), wk = 0.0023529 k( 404) = ( 0.5142876 -0.7883089 -0.4803801), wk = 0.0023529 k( 405) = ( 0.5285752 -0.7817551 -0.4763864), wk = 0.0023529 k( 406) = ( 0.5428629 -0.7752013 -0.4723926), wk = 0.0023529 k( 407) = ( 0.5571505 -0.7686475 -0.4683989), wk = 0.0023529 k( 408) = ( 0.5714381 -0.7620938 -0.4644051), wk = 0.0023529 k( 409) = ( 0.5857257 -0.7555400 -0.4604114), wk = 0.0023529 k( 410) = ( 0.6000134 -0.7489862 -0.4564177), wk = 0.0023529 k( 411) = ( 0.6143010 -0.7424325 -0.4524239), wk = 0.0023529 k( 412) = ( 0.6285886 -0.7358787 -0.4484302), wk = 0.0023529 k( 413) = ( 0.6428762 -0.7293249 -0.4444364), wk = 0.0023529 k( 414) = ( 0.6571638 -0.7227712 -0.4404427), wk = 0.0023529 k( 415) = ( 0.6714514 -0.7162174 -0.4364490), wk = 0.0023529 k( 416) = ( 0.6857391 -0.7096636 -0.4324552), wk = 0.0023529 k( 417) = ( 0.7000267 -0.7031099 -0.4284615), wk = 0.0023529 k( 418) = ( 0.7143143 -0.6965561 -0.4244677), wk = 0.0023529 k( 419) = ( 0.7286019 -0.6900023 -0.4204740), wk = 0.0023529 k( 420) = ( 0.7428896 -0.6834485 -0.4164803), wk = 0.0023529 k( 421) = ( 0.7571772 -0.6768948 -0.4124865), wk = 0.0023529 k( 422) = ( 0.7714648 -0.6703410 -0.4084928), wk = 0.0023529 k( 423) = ( 0.7857524 -0.6637872 -0.4044990), wk = 0.0023529 k( 424) = ( 0.8000400 -0.6572334 -0.4005053), wk = 0.0023529 k( 425) = ( 0.8143277 -0.6506797 -0.3965116), wk = 0.0023529 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 2) = ( 0.0076923 -0.0000000 0.0000000), wk = 0.0023529 k( 3) = ( 0.0153846 -0.0000000 0.0000000), wk = 0.0023529 k( 4) = ( 0.0230769 -0.0000000 0.0000000), wk = 0.0023529 k( 5) = ( 0.0307692 -0.0000000 0.0000000), wk = 0.0023529 k( 6) = ( 0.0384615 -0.0000000 0.0000000), wk = 0.0023529 k( 7) = ( 0.0461539 -0.0000000 0.0000000), wk = 0.0023529 k( 8) = ( 0.0538462 0.0000000 0.0000000), wk = 0.0023529 k( 9) = ( 0.0615385 -0.0000000 0.0000000), wk = 0.0023529 k( 10) = ( 0.0692308 -0.0000000 0.0000000), wk = 0.0023529 k( 11) = ( 0.0769231 -0.0000000 0.0000000), wk = 0.0023529 k( 12) = ( 0.0846154 -0.0000000 -0.0000000), wk = 0.0023529 k( 13) = ( 0.0923077 0.0000000 0.0000000), wk = 0.0023529 k( 14) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0023529 k( 15) = ( 0.1076923 -0.0000000 0.0000000), wk = 0.0023529 k( 16) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0023529 k( 17) = ( 0.1230769 -0.0000000 0.0000000), wk = 0.0023529 k( 18) = ( 0.1307692 0.0000000 0.0000000), wk = 0.0023529 k( 19) = ( 0.1384615 -0.0000000 0.0000000), wk = 0.0023529 k( 20) = ( 0.1461539 0.0000000 0.0000000), wk = 0.0023529 k( 21) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0023529 k( 22) = ( 0.1615385 0.0000000 -0.0000000), wk = 0.0023529 k( 23) = ( 0.1692308 -0.0000000 0.0000000), wk = 0.0023529 k( 24) = ( 0.1769231 0.0000000 -0.0000000), wk = 0.0023529 k( 25) = ( 0.1846154 0.0000000 0.0000000), wk = 0.0023529 k( 26) = ( 0.1923077 0.0000000 -0.0000000), wk = 0.0023529 k( 27) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0023529 k( 28) = ( 0.2076923 -0.0000000 -0.0000000), wk = 0.0023529 k( 29) = ( 0.2153846 -0.0000000 0.0000000), wk = 0.0023529 k( 30) = ( 0.2230769 -0.0000000 -0.0000000), wk = 0.0023529 k( 31) = ( 0.2307692 -0.0000000 0.0000000), wk = 0.0023529 k( 32) = ( 0.2384615 -0.0000000 -0.0000000), wk = 0.0023529 k( 33) = ( 0.2461539 0.0000000 0.0000000), wk = 0.0023529 k( 34) = ( 0.2538461 -0.0000000 -0.0000000), wk = 0.0023529 k( 35) = ( 0.2615385 0.0000000 0.0000000), wk = 0.0023529 k( 36) = ( 0.2692308 0.0000000 -0.0000000), wk = 0.0023529 k( 37) = ( 0.2769231 -0.0000000 0.0000000), wk = 0.0023529 k( 38) = ( 0.2846154 0.0000000 0.0000000), wk = 0.0023529 k( 39) = ( 0.2923077 -0.0000000 0.0000000), wk = 0.0023529 k( 40) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0023529 k( 41) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0023529 k( 42) = ( 0.3153846 0.0000000 -0.0000000), wk = 0.0023529 k( 43) = ( 0.3230769 0.0000000 -0.0000000), wk = 0.0023529 k( 44) = ( 0.3307692 -0.0000000 0.0000000), wk = 0.0023529 k( 45) = ( 0.3384615 -0.0000000 0.0000000), wk = 0.0023529 k( 46) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0023529 k( 47) = ( 0.3538462 0.0000000 0.0000000), wk = 0.0023529 k( 48) = ( 0.3615385 0.0000000 0.0000000), wk = 0.0023529 k( 49) = ( 0.3692308 -0.0000000 -0.0000000), wk = 0.0023529 k( 50) = ( 0.3769231 -0.0000000 0.0000000), wk = 0.0023529 k( 51) = ( 0.3846154 0.0000000 -0.0000000), wk = 0.0023529 k( 52) = ( 0.3923077 -0.0000000 -0.0000000), wk = 0.0023529 k( 53) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0023529 k( 54) = ( 0.4076923 -0.0000000 -0.0000000), wk = 0.0023529 k( 55) = ( 0.4153846 -0.0000000 -0.0000000), wk = 0.0023529 k( 56) = ( 0.4230769 -0.0000000 -0.0000000), wk = 0.0023529 k( 57) = ( 0.4307692 -0.0000000 -0.0000000), wk = 0.0023529 k( 58) = ( 0.4384615 -0.0000000 -0.0000000), wk = 0.0023529 k( 59) = ( 0.4461539 -0.0000000 0.0000000), wk = 0.0023529 k( 60) = ( 0.4538462 0.0000000 0.0000000), wk = 0.0023529 k( 61) = ( 0.4615385 -0.0000000 0.0000000), wk = 0.0023529 k( 62) = ( 0.4692308 -0.0000000 -0.0000000), wk = 0.0023529 k( 63) = ( 0.4769231 -0.0000000 -0.0000000), wk = 0.0023529 k( 64) = ( 0.4846154 -0.0000000 0.0000000), wk = 0.0023529 k( 65) = ( 0.4923077 0.0000000 -0.0000000), wk = 0.0023529 k( 66) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023529 k( 67) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023529 k( 68) = ( 0.5000000 0.0044208 -0.0044208), wk = 0.0023529 k( 69) = ( 0.5000000 0.0088415 -0.0088415), wk = 0.0023529 k( 70) = ( 0.5000000 0.0132623 -0.0132623), wk = 0.0023529 k( 71) = ( 0.5000000 0.0176831 -0.0176831), wk = 0.0023529 k( 72) = ( 0.5000000 0.0221038 -0.0221038), wk = 0.0023529 k( 73) = ( 0.5000000 0.0265246 -0.0265246), wk = 0.0023529 k( 74) = ( 0.5000000 0.0309454 -0.0309454), wk = 0.0023529 k( 75) = ( 0.5000000 0.0353662 -0.0353662), wk = 0.0023529 k( 76) = ( 0.5000000 0.0397869 -0.0397869), wk = 0.0023529 k( 77) = ( 0.5000000 0.0442077 -0.0442077), wk = 0.0023529 k( 78) = ( 0.5000000 0.0486285 -0.0486285), wk = 0.0023529 k( 79) = ( 0.5000000 0.0530492 -0.0530492), wk = 0.0023529 k( 80) = ( 0.5000000 0.0574700 -0.0574700), wk = 0.0023529 k( 81) = ( 0.5000000 0.0618908 -0.0618908), wk = 0.0023529 k( 82) = ( 0.5000000 0.0663115 -0.0663115), wk = 0.0023529 k( 83) = ( 0.5000000 0.0707323 -0.0707323), wk = 0.0023529 k( 84) = ( 0.5000000 0.0751531 -0.0751531), wk = 0.0023529 k( 85) = ( 0.5000000 0.0795739 -0.0795739), wk = 0.0023529 k( 86) = ( 0.5000000 0.0839946 -0.0839946), wk = 0.0023529 k( 87) = ( 0.5000000 0.0884154 -0.0884154), wk = 0.0023529 k( 88) = ( 0.5000000 0.0928362 -0.0928362), wk = 0.0023529 k( 89) = ( 0.5000000 0.0972569 -0.0972569), wk = 0.0023529 k( 90) = ( 0.5000000 0.1016777 -0.1016777), wk = 0.0023529 k( 91) = ( 0.5000000 0.1060985 -0.1060985), wk = 0.0023529 k( 92) = ( 0.5000000 0.1105193 -0.1105193), wk = 0.0023529 k( 93) = ( 0.5000000 0.1149400 -0.1149400), wk = 0.0023529 k( 94) = ( 0.5000000 0.1193608 -0.1193608), wk = 0.0023529 k( 95) = ( 0.5000000 0.1237816 -0.1237816), wk = 0.0023529 k( 96) = ( 0.5000000 0.1282023 -0.1282023), wk = 0.0023529 k( 97) = ( 0.5000000 0.1326231 -0.1326231), wk = 0.0023529 k( 98) = ( 0.5000000 0.1370439 -0.1370439), wk = 0.0023529 k( 99) = ( 0.5000000 0.1414646 -0.1414646), wk = 0.0023529 k( 100) = ( 0.5000000 0.1458854 -0.1458854), wk = 0.0023529 k( 101) = ( 0.5000000 0.1503062 -0.1503062), wk = 0.0023529 k( 102) = ( 0.5000000 0.1547269 -0.1547269), wk = 0.0023529 k( 103) = ( 0.5000000 0.1591477 -0.1591477), wk = 0.0023529 k( 104) = ( 0.5000000 0.1635685 -0.1635685), wk = 0.0023529 k( 105) = ( 0.5000000 0.1679893 -0.1679893), wk = 0.0023529 k( 106) = ( 0.5000000 0.1724100 -0.1724100), wk = 0.0023529 k( 107) = ( 0.5000000 0.1768308 -0.1768308), wk = 0.0023529 k( 108) = ( 0.5000000 0.1812516 -0.1812516), wk = 0.0023529 k( 109) = ( 0.5000000 0.1856723 -0.1856723), wk = 0.0023529 k( 110) = ( 0.8143277 0.5000000 0.1856723), wk = 0.0023529 k( 111) = ( 0.8098373 0.5000000 0.1901627), wk = 0.0023529 k( 112) = ( 0.8053469 0.5000000 0.1946531), wk = 0.0023529 k( 113) = ( 0.8008565 0.5000000 0.1991435), wk = 0.0023529 k( 114) = ( 0.7963661 0.5000000 0.2036339), wk = 0.0023529 k( 115) = ( 0.7918757 0.5000000 0.2081243), wk = 0.0023529 k( 116) = ( 0.7873853 0.5000000 0.2126147), wk = 0.0023529 k( 117) = ( 0.7828949 0.5000000 0.2171051), wk = 0.0023529 k( 118) = ( 0.7784045 0.5000000 0.2215955), wk = 0.0023529 k( 119) = ( 0.7739141 0.5000000 0.2260859), wk = 0.0023529 k( 120) = ( 0.7694237 0.5000000 0.2305763), wk = 0.0023529 k( 121) = ( 0.7649333 0.5000000 0.2350667), wk = 0.0023529 k( 122) = ( 0.7604429 0.5000000 0.2395571), wk = 0.0023529 k( 123) = ( 0.7559525 0.5000000 0.2440475), wk = 0.0023529 k( 124) = ( 0.7514621 0.5000000 0.2485379), wk = 0.0023529 k( 125) = ( 0.7469717 0.5000000 0.2530283), wk = 0.0023529 k( 126) = ( 0.7424813 0.5000000 0.2575187), wk = 0.0023529 k( 127) = ( 0.7379910 0.5000000 0.2620091), wk = 0.0023529 k( 128) = ( 0.7335006 0.5000000 0.2664994), wk = 0.0023529 k( 129) = ( 0.7290102 0.5000000 0.2709898), wk = 0.0023529 k( 130) = ( 0.7245198 0.5000000 0.2754802), wk = 0.0023529 k( 131) = ( 0.7200294 0.5000000 0.2799706), wk = 0.0023529 k( 132) = ( 0.7155390 0.5000000 0.2844610), wk = 0.0023529 k( 133) = ( 0.7110486 0.5000000 0.2889514), wk = 0.0023529 k( 134) = ( 0.7065582 0.5000000 0.2934418), wk = 0.0023529 k( 135) = ( 0.7020678 0.5000000 0.2979322), wk = 0.0023529 k( 136) = ( 0.6975774 0.5000000 0.3024226), wk = 0.0023529 k( 137) = ( 0.6930870 0.5000000 0.3069130), wk = 0.0023529 k( 138) = ( 0.6885966 0.5000000 0.3114034), wk = 0.0023529 k( 139) = ( 0.6841062 0.5000000 0.3158938), wk = 0.0023529 k( 140) = ( 0.6796158 0.5000000 0.3203842), wk = 0.0023529 k( 141) = ( 0.6751254 0.5000000 0.3248746), wk = 0.0023529 k( 142) = ( 0.6706350 0.5000000 0.3293650), wk = 0.0023529 k( 143) = ( 0.6661446 0.5000000 0.3338554), wk = 0.0023529 k( 144) = ( 0.6616542 0.5000000 0.3383458), wk = 0.0023529 k( 145) = ( 0.6571638 0.5000000 0.3428362), wk = 0.0023529 k( 146) = ( 0.6526734 0.5000000 0.3473266), wk = 0.0023529 k( 147) = ( 0.6481830 0.5000000 0.3518170), wk = 0.0023529 k( 148) = ( 0.6436926 0.5000000 0.3563073), wk = 0.0023529 k( 149) = ( 0.6392022 0.5000000 0.3607977), wk = 0.0023529 k( 150) = ( 0.6347119 0.5000000 0.3652881), wk = 0.0023529 k( 151) = ( 0.6302215 0.5000000 0.3697785), wk = 0.0023529 k( 152) = ( 0.6257311 0.5000000 0.3742689), wk = 0.0023529 k( 153) = ( 0.6212407 0.5000000 0.3787593), wk = 0.0023529 k( 154) = ( 0.6167503 0.5000000 0.3832497), wk = 0.0023529 k( 155) = ( 0.6122599 0.5000000 0.3877401), wk = 0.0023529 k( 156) = ( 0.6077695 0.5000000 0.3922305), wk = 0.0023529 k( 157) = ( 0.6032791 0.5000000 0.3967209), wk = 0.0023529 k( 158) = ( 0.5987887 0.5000000 0.4012113), wk = 0.0023529 k( 159) = ( 0.5942983 0.5000000 0.4057017), wk = 0.0023529 k( 160) = ( 0.5898079 0.5000000 0.4101921), wk = 0.0023529 k( 161) = ( 0.5853175 0.5000000 0.4146825), wk = 0.0023529 k( 162) = ( 0.5808271 0.5000000 0.4191729), wk = 0.0023529 k( 163) = ( 0.5763367 0.5000000 0.4236633), wk = 0.0023529 k( 164) = ( 0.5718463 0.5000000 0.4281537), wk = 0.0023529 k( 165) = ( 0.5673559 0.5000000 0.4326441), wk = 0.0023529 k( 166) = ( 0.5628655 0.5000000 0.4371345), wk = 0.0023529 k( 167) = ( 0.5583751 0.5000000 0.4416249), wk = 0.0023529 k( 168) = ( 0.5538847 0.5000000 0.4461153), wk = 0.0023529 k( 169) = ( 0.5493944 0.5000000 0.4506057), wk = 0.0023529 k( 170) = ( 0.5449040 0.5000000 0.4550960), wk = 0.0023529 k( 171) = ( 0.5404136 0.5000000 0.4595864), wk = 0.0023529 k( 172) = ( 0.5359232 0.5000000 0.4640768), wk = 0.0023529 k( 173) = ( 0.5314328 0.5000000 0.4685672), wk = 0.0023529 k( 174) = ( 0.5269424 0.5000000 0.4730576), wk = 0.0023529 k( 175) = ( 0.5224520 0.5000000 0.4775480), wk = 0.0023529 k( 176) = ( 0.5179616 0.5000000 0.4820384), wk = 0.0023529 k( 177) = ( 0.5134712 0.5000000 0.4865288), wk = 0.0023529 k( 178) = ( 0.5089808 0.5000000 0.4910192), wk = 0.0023529 k( 179) = ( 0.5044904 0.5000000 0.4955096), wk = 0.0023529 k( 180) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023529 k( 181) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023529 k( 182) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0023529 k( 183) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0023529 k( 184) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0023529 k( 185) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0023529 k( 186) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0023529 k( 187) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0023529 k( 188) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0023529 k( 189) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0023529 k( 190) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0023529 k( 191) = ( 0.3484849 0.3484848 0.3484849), wk = 0.0023529 k( 192) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0023529 k( 193) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0023529 k( 194) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0023529 k( 195) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0023529 k( 196) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0023529 k( 197) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0023529 k( 198) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0023529 k( 199) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0023529 k( 200) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0023529 k( 201) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0023529 k( 202) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0023529 k( 203) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0023529 k( 204) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0023529 k( 205) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0023529 k( 206) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0023529 k( 207) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0023529 k( 208) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0023529 k( 209) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0023529 k( 210) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0023529 k( 211) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0023529 k( 212) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0023529 k( 213) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0023529 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 215) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 216) = ( 0.0045110 -0.0000000 -0.0045110), wk = 0.0023529 k( 217) = ( 0.0090220 -0.0000000 -0.0090220), wk = 0.0023529 k( 218) = ( 0.0135330 0.0000000 -0.0135330), wk = 0.0023529 k( 219) = ( 0.0180440 0.0000000 -0.0180440), wk = 0.0023529 k( 220) = ( 0.0225550 -0.0000000 -0.0225550), wk = 0.0023529 k( 221) = ( 0.0270660 -0.0000000 -0.0270660), wk = 0.0023529 k( 222) = ( 0.0315770 -0.0000000 -0.0315770), wk = 0.0023529 k( 223) = ( 0.0360880 0.0000000 -0.0360880), wk = 0.0023529 k( 224) = ( 0.0405990 -0.0000000 -0.0405990), wk = 0.0023529 k( 225) = ( 0.0451100 -0.0000000 -0.0451100), wk = 0.0023529 k( 226) = ( 0.0496210 0.0000000 -0.0496210), wk = 0.0023529 k( 227) = ( 0.0541320 0.0000000 -0.0541320), wk = 0.0023529 k( 228) = ( 0.0586430 0.0000000 -0.0586430), wk = 0.0023529 k( 229) = ( 0.0631540 -0.0000000 -0.0631540), wk = 0.0023529 k( 230) = ( 0.0676650 -0.0000000 -0.0676650), wk = 0.0023529 k( 231) = ( 0.0721760 0.0000000 -0.0721760), wk = 0.0023529 k( 232) = ( 0.0766870 -0.0000000 -0.0766870), wk = 0.0023529 k( 233) = ( 0.0811980 -0.0000000 -0.0811980), wk = 0.0023529 k( 234) = ( 0.0857090 -0.0000000 -0.0857090), wk = 0.0023529 k( 235) = ( 0.0902200 -0.0000000 -0.0902200), wk = 0.0023529 k( 236) = ( 0.0947310 0.0000000 -0.0947310), wk = 0.0023529 k( 237) = ( 0.0992420 -0.0000000 -0.0992420), wk = 0.0023529 k( 238) = ( 0.1037530 -0.0000000 -0.1037530), wk = 0.0023529 k( 239) = ( 0.1082641 -0.0000000 -0.1082641), wk = 0.0023529 k( 240) = ( 0.1127751 -0.0000000 -0.1127751), wk = 0.0023529 k( 241) = ( 0.1172861 0.0000000 -0.1172861), wk = 0.0023529 k( 242) = ( 0.1217971 0.0000000 -0.1217971), wk = 0.0023529 k( 243) = ( 0.1263081 -0.0000000 -0.1263081), wk = 0.0023529 k( 244) = ( 0.1308191 -0.0000000 -0.1308191), wk = 0.0023529 k( 245) = ( 0.1353301 -0.0000000 -0.1353301), wk = 0.0023529 k( 246) = ( 0.1398411 -0.0000000 -0.1398411), wk = 0.0023529 k( 247) = ( 0.1443521 0.0000000 -0.1443521), wk = 0.0023529 k( 248) = ( 0.1488631 0.0000000 -0.1488631), wk = 0.0023529 k( 249) = ( 0.1533741 -0.0000000 -0.1533741), wk = 0.0023529 k( 250) = ( 0.1578851 0.0000000 -0.1578851), wk = 0.0023529 k( 251) = ( 0.1623961 -0.0000000 -0.1623961), wk = 0.0023529 k( 252) = ( 0.1669071 -0.0000000 -0.1669071), wk = 0.0023529 k( 253) = ( 0.1714181 -0.0000000 -0.1714181), wk = 0.0023529 k( 254) = ( 0.1759291 -0.0000000 -0.1759291), wk = 0.0023529 k( 255) = ( 0.1804401 0.0000000 -0.1804401), wk = 0.0023529 k( 256) = ( 0.1849511 -0.0000000 -0.1849511), wk = 0.0023529 k( 257) = ( 0.1894621 -0.0000000 -0.1894621), wk = 0.0023529 k( 258) = ( 0.1939731 -0.0000000 -0.1939731), wk = 0.0023529 k( 259) = ( 0.1984841 -0.0000000 -0.1984841), wk = 0.0023529 k( 260) = ( 0.2029951 0.0000000 -0.2029951), wk = 0.0023529 k( 261) = ( 0.2075061 -0.0000000 -0.2075061), wk = 0.0023529 k( 262) = ( 0.2120171 0.0000000 -0.2120171), wk = 0.0023529 k( 263) = ( 0.2165281 -0.0000000 -0.2165281), wk = 0.0023529 k( 264) = ( 0.2210391 0.0000000 -0.2210391), wk = 0.0023529 k( 265) = ( 0.2255501 -0.0000000 -0.2255501), wk = 0.0023529 k( 266) = ( 0.2300611 -0.0000000 -0.2300611), wk = 0.0023529 k( 267) = ( 0.2345721 0.0000000 -0.2345721), wk = 0.0023529 k( 268) = ( 0.2390831 -0.0000000 -0.2390831), wk = 0.0023529 k( 269) = ( 0.2435941 0.0000000 -0.2435941), wk = 0.0023529 k( 270) = ( 0.2481051 -0.0000000 -0.2481051), wk = 0.0023529 k( 271) = ( 0.2526161 -0.0000000 -0.2526161), wk = 0.0023529 k( 272) = ( 0.2571271 -0.0000000 -0.2571271), wk = 0.0023529 k( 273) = ( 0.2616381 -0.0000000 -0.2616381), wk = 0.0023529 k( 274) = ( 0.2661491 0.0000000 -0.2661491), wk = 0.0023529 k( 275) = ( 0.2706601 -0.0000000 -0.2706601), wk = 0.0023529 k( 276) = ( 0.2751711 0.0000000 -0.2751711), wk = 0.0023529 k( 277) = ( 0.2796821 -0.0000000 -0.2796821), wk = 0.0023529 k( 278) = ( 0.2841931 0.0000000 -0.2841931), wk = 0.0023529 k( 279) = ( 0.2887041 0.0000000 -0.2887041), wk = 0.0023529 k( 280) = ( 0.2932151 -0.0000000 -0.2932151), wk = 0.0023529 k( 281) = ( 0.2977262 0.0000000 -0.2977262), wk = 0.0023529 k( 282) = ( 0.3022372 -0.0000000 -0.3022372), wk = 0.0023529 k( 283) = ( 0.3067481 -0.0000000 -0.3067481), wk = 0.0023529 k( 284) = ( 0.3112591 -0.0000000 -0.3112591), wk = 0.0023529 k( 285) = ( 0.3157702 -0.0000000 -0.3157702), wk = 0.0023529 k( 286) = ( 0.3202812 -0.0000000 -0.3202812), wk = 0.0023529 k( 287) = ( 0.3247922 -0.0000000 -0.3247922), wk = 0.0023529 k( 288) = ( 0.3293032 0.0000000 -0.3293032), wk = 0.0023529 k( 289) = ( 0.3338142 -0.0000000 -0.3338142), wk = 0.0023529 k( 290) = ( 0.3383252 -0.0000000 -0.3383252), wk = 0.0023529 k( 291) = ( 0.3428362 -0.0000000 -0.3428362), wk = 0.0023529 k( 292) = ( 0.6571638 0.3428362 -0.0000000), wk = 0.0023529 k( 293) = ( 0.6526734 0.3473266 0.0000000), wk = 0.0023529 k( 294) = ( 0.6481830 0.3518170 0.0000000), wk = 0.0023529 k( 295) = ( 0.6436926 0.3563074 -0.0000000), wk = 0.0023529 k( 296) = ( 0.6392022 0.3607977 0.0000000), wk = 0.0023529 k( 297) = ( 0.6347119 0.3652881 -0.0000000), wk = 0.0023529 k( 298) = ( 0.6302215 0.3697785 -0.0000000), wk = 0.0023529 k( 299) = ( 0.6257311 0.3742689 0.0000000), wk = 0.0023529 k( 300) = ( 0.6212407 0.3787593 0.0000000), wk = 0.0023529 k( 301) = ( 0.6167503 0.3832497 -0.0000000), wk = 0.0023529 k( 302) = ( 0.6122599 0.3877401 -0.0000000), wk = 0.0023529 k( 303) = ( 0.6077695 0.3922305 -0.0000000), wk = 0.0023529 k( 304) = ( 0.6032791 0.3967209 -0.0000000), wk = 0.0023529 k( 305) = ( 0.5987887 0.4012113 -0.0000000), wk = 0.0023529 k( 306) = ( 0.5942983 0.4057017 -0.0000000), wk = 0.0023529 k( 307) = ( 0.5898079 0.4101921 0.0000000), wk = 0.0023529 k( 308) = ( 0.5853175 0.4146825 -0.0000000), wk = 0.0023529 k( 309) = ( 0.5808271 0.4191729 -0.0000000), wk = 0.0023529 k( 310) = ( 0.5763367 0.4236633 -0.0000000), wk = 0.0023529 k( 311) = ( 0.5718463 0.4281537 -0.0000000), wk = 0.0023529 k( 312) = ( 0.5673559 0.4326441 0.0000000), wk = 0.0023529 k( 313) = ( 0.5628655 0.4371345 0.0000000), wk = 0.0023529 k( 314) = ( 0.5583751 0.4416249 -0.0000000), wk = 0.0023529 k( 315) = ( 0.5538847 0.4461153 -0.0000000), wk = 0.0023529 k( 316) = ( 0.5493944 0.4506056 0.0000000), wk = 0.0023529 k( 317) = ( 0.5449040 0.4550960 -0.0000000), wk = 0.0023529 k( 318) = ( 0.5404136 0.4595864 0.0000000), wk = 0.0023529 k( 319) = ( 0.5359232 0.4640768 0.0000000), wk = 0.0023529 k( 320) = ( 0.5314328 0.4685672 -0.0000000), wk = 0.0023529 k( 321) = ( 0.5269424 0.4730576 -0.0000000), wk = 0.0023529 k( 322) = ( 0.5224520 0.4775480 0.0000000), wk = 0.0023529 k( 323) = ( 0.5179616 0.4820384 0.0000000), wk = 0.0023529 k( 324) = ( 0.5134712 0.4865288 -0.0000000), wk = 0.0023529 k( 325) = ( 0.5089808 0.4910192 0.0000000), wk = 0.0023529 k( 326) = ( 0.5044904 0.4955096 -0.0000000), wk = 0.0023529 k( 327) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023529 k( 328) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023529 k( 329) = ( 0.5130970 0.5130970 0.0154727), wk = 0.0023529 k( 330) = ( 0.5261940 0.5261940 0.0309454), wk = 0.0023529 k( 331) = ( 0.5392910 0.5392910 0.0464181), wk = 0.0023529 k( 332) = ( 0.5523879 0.5523879 0.0618908), wk = 0.0023529 k( 333) = ( 0.5654849 0.5654849 0.0773635), wk = 0.0023529 k( 334) = ( 0.5785819 0.5785819 0.0928362), wk = 0.0023529 k( 335) = ( 0.5916789 0.5916789 0.1083089), wk = 0.0023529 k( 336) = ( 0.6047759 0.6047759 0.1237816), wk = 0.0023529 k( 337) = ( 0.6178729 0.6178729 0.1392543), wk = 0.0023529 k( 338) = ( 0.6309699 0.6309699 0.1547270), wk = 0.0023529 k( 339) = ( 0.6440668 0.6440668 0.1701996), wk = 0.0023529 k( 340) = ( 0.6571638 0.6571638 0.1856723), wk = 0.0023529 k( 341) = ( 0.6571638 0.6571638 0.1856723), wk = 0.0023529 k( 342) = ( 0.6545874 0.6545874 0.1908253), wk = 0.0023529 k( 343) = ( 0.6520109 0.6520109 0.1959782), wk = 0.0023529 k( 344) = ( 0.6494345 0.6494345 0.2011311), wk = 0.0023529 k( 345) = ( 0.6468580 0.6468580 0.2062840), wk = 0.0023529 k( 346) = ( 0.6442815 0.6442815 0.2114369), wk = 0.0023529 k( 347) = ( 0.6417051 0.6417051 0.2165898), wk = 0.0023529 k( 348) = ( 0.6391286 0.6391286 0.2217427), wk = 0.0023529 k( 349) = ( 0.6365522 0.6365522 0.2268956), wk = 0.0023529 k( 350) = ( 0.6339757 0.6339757 0.2320485), wk = 0.0023529 k( 351) = ( 0.6313993 0.6313993 0.2372015), wk = 0.0023529 k( 352) = ( 0.6288228 0.6288228 0.2423544), wk = 0.0023529 k( 353) = ( 0.6262464 0.6262464 0.2475073), wk = 0.0023529 k( 354) = ( 0.6236699 0.6236699 0.2526602), wk = 0.0023529 k( 355) = ( 0.6210934 0.6210934 0.2578131), wk = 0.0023529 k( 356) = ( 0.6185170 0.6185170 0.2629660), wk = 0.0023529 k( 357) = ( 0.6159405 0.6159405 0.2681189), wk = 0.0023529 k( 358) = ( 0.6133641 0.6133641 0.2732719), wk = 0.0023529 k( 359) = ( 0.6107876 0.6107876 0.2784248), wk = 0.0023529 k( 360) = ( 0.6082112 0.6082112 0.2835777), wk = 0.0023529 k( 361) = ( 0.6056347 0.6056347 0.2887306), wk = 0.0023529 k( 362) = ( 0.6030583 0.6030582 0.2938835), wk = 0.0023529 k( 363) = ( 0.6004818 0.6004818 0.2990364), wk = 0.0023529 k( 364) = ( 0.5979053 0.5979053 0.3041893), wk = 0.0023529 k( 365) = ( 0.5953289 0.5953289 0.3093422), wk = 0.0023529 k( 366) = ( 0.5927524 0.5927524 0.3144952), wk = 0.0023529 k( 367) = ( 0.5901760 0.5901760 0.3196481), wk = 0.0023529 k( 368) = ( 0.5875995 0.5875995 0.3248010), wk = 0.0023529 k( 369) = ( 0.5850231 0.5850231 0.3299539), wk = 0.0023529 k( 370) = ( 0.5824466 0.5824466 0.3351068), wk = 0.0023529 k( 371) = ( 0.5798701 0.5798701 0.3402597), wk = 0.0023529 k( 372) = ( 0.5772937 0.5772937 0.3454126), wk = 0.0023529 k( 373) = ( 0.5747172 0.5747172 0.3505655), wk = 0.0023529 k( 374) = ( 0.5721408 0.5721408 0.3557184), wk = 0.0023529 k( 375) = ( 0.5695643 0.5695643 0.3608714), wk = 0.0023529 k( 376) = ( 0.5669879 0.5669879 0.3660243), wk = 0.0023529 k( 377) = ( 0.5644114 0.5644114 0.3711772), wk = 0.0023529 k( 378) = ( 0.5618350 0.5618350 0.3763301), wk = 0.0023529 k( 379) = ( 0.5592585 0.5592585 0.3814830), wk = 0.0023529 k( 380) = ( 0.5566820 0.5566820 0.3866359), wk = 0.0023529 k( 381) = ( 0.5541056 0.5541056 0.3917888), wk = 0.0023529 k( 382) = ( 0.5515291 0.5515291 0.3969417), wk = 0.0023529 k( 383) = ( 0.5489527 0.5489527 0.4020947), wk = 0.0023529 k( 384) = ( 0.5463762 0.5463762 0.4072476), wk = 0.0023529 k( 385) = ( 0.5437998 0.5437998 0.4124005), wk = 0.0023529 k( 386) = ( 0.5412233 0.5412233 0.4175534), wk = 0.0023529 k( 387) = ( 0.5386468 0.5386468 0.4227063), wk = 0.0023529 k( 388) = ( 0.5360704 0.5360704 0.4278592), wk = 0.0023529 k( 389) = ( 0.5334939 0.5334939 0.4330121), wk = 0.0023529 k( 390) = ( 0.5309175 0.5309175 0.4381651), wk = 0.0023529 k( 391) = ( 0.5283410 0.5283410 0.4433180), wk = 0.0023529 k( 392) = ( 0.5257646 0.5257646 0.4484709), wk = 0.0023529 k( 393) = ( 0.5231881 0.5231881 0.4536238), wk = 0.0023529 k( 394) = ( 0.5206116 0.5206116 0.4587767), wk = 0.0023529 k( 395) = ( 0.5180352 0.5180352 0.4639296), wk = 0.0023529 k( 396) = ( 0.5154587 0.5154587 0.4690825), wk = 0.0023529 k( 397) = ( 0.5128823 0.5128823 0.4742354), wk = 0.0023529 k( 398) = ( 0.5103058 0.5103058 0.4793884), wk = 0.0023529 k( 399) = ( 0.5077294 0.5077294 0.4845413), wk = 0.0023529 k( 400) = ( 0.5051529 0.5051529 0.4896942), wk = 0.0023529 k( 401) = ( 0.5025765 0.5025765 0.4948471), wk = 0.0023529 k( 402) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023529 k( 403) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023529 k( 404) = ( 0.5142876 0.0155835 0.0155835), wk = 0.0023529 k( 405) = ( 0.5285752 0.0311669 0.0311669), wk = 0.0023529 k( 406) = ( 0.5428629 0.0467504 0.0467504), wk = 0.0023529 k( 407) = ( 0.5571505 0.0623339 0.0623339), wk = 0.0023529 k( 408) = ( 0.5714381 0.0779173 0.0779173), wk = 0.0023529 k( 409) = ( 0.5857257 0.0935008 0.0935008), wk = 0.0023529 k( 410) = ( 0.6000134 0.1090842 0.1090842), wk = 0.0023529 k( 411) = ( 0.6143010 0.1246677 0.1246677), wk = 0.0023529 k( 412) = ( 0.6285886 0.1402512 0.1402512), wk = 0.0023529 k( 413) = ( 0.6428762 0.1558346 0.1558346), wk = 0.0023529 k( 414) = ( 0.6571638 0.1714181 0.1714181), wk = 0.0023529 k( 415) = ( 0.6714514 0.1870015 0.1870016), wk = 0.0023529 k( 416) = ( 0.6857391 0.2025850 0.2025850), wk = 0.0023529 k( 417) = ( 0.7000267 0.2181685 0.2181685), wk = 0.0023529 k( 418) = ( 0.7143143 0.2337519 0.2337519), wk = 0.0023529 k( 419) = ( 0.7286019 0.2493354 0.2493354), wk = 0.0023529 k( 420) = ( 0.7428896 0.2649189 0.2649189), wk = 0.0023529 k( 421) = ( 0.7571772 0.2805023 0.2805023), wk = 0.0023529 k( 422) = ( 0.7714648 0.2960858 0.2960858), wk = 0.0023529 k( 423) = ( 0.7857524 0.3116692 0.3116692), wk = 0.0023529 k( 424) = ( 0.8000400 0.3272527 0.3272527), wk = 0.0023529 k( 425) = ( 0.8143277 0.3428362 0.3428362), wk = 0.0023529 Dense grid: 29301 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 13935 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 92, 32) NL pseudopotentials 0.05 Mb ( 46, 76) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 813) G-vector shells 0.01 Mb ( 693) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.18 Mb ( 92, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.07 Mb ( 76, 2, 32) Check: negative/imaginary core charge= -0.000014 0.000000 The potential is recalculated from file : ./MgSiN2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 4.7 secs Computing kpt #: 8 total cpu time spent up to now is 4.9 secs Computing kpt #: 9 total cpu time spent up to now is 5.1 secs Computing kpt #: 10 total cpu time spent up to now is 5.3 secs Computing kpt #: 11 total cpu time spent up to now is 5.5 secs Computing kpt #: 12 total cpu time spent up to now is 5.8 secs Computing kpt #: 13 total cpu time spent up to now is 6.0 secs Computing kpt #: 14 total cpu time spent up to now is 6.2 secs Computing kpt #: 15 total cpu time spent up to now is 6.4 secs Computing kpt #: 16 total cpu time spent up to now is 6.6 secs Computing kpt #: 17 total cpu time spent up to now is 6.8 secs Computing kpt #: 18 total cpu time spent up to now is 7.0 secs Computing kpt #: 19 total cpu time spent up to now is 7.2 secs Computing kpt #: 20 total cpu time spent up to now is 7.4 secs Computing kpt #: 21 total cpu time spent up to now is 7.7 secs Computing kpt #: 22 total cpu time spent up to now is 7.9 secs Computing kpt #: 23 total cpu time spent up to now is 8.2 secs Computing kpt #: 24 total cpu time spent up to now is 8.4 secs Computing kpt #: 25 total cpu time spent up to now is 8.7 secs Computing kpt #: 26 total cpu time spent up to now is 8.9 secs Computing kpt #: 27 total cpu time spent up to now is 9.1 secs Computing kpt #: 28 total cpu time spent up to now is 9.3 secs Computing kpt #: 29 total cpu time spent up to now is 9.5 secs Computing kpt #: 30 total cpu time spent up to now is 9.8 secs Computing kpt #: 31 total cpu time spent up to now is 10.0 secs Computing kpt #: 32 total cpu time spent up to now is 10.2 secs Computing kpt #: 33 total cpu time spent up to now is 10.4 secs Computing kpt #: 34 total cpu time spent up to now is 10.6 secs Computing kpt #: 35 total cpu time spent up to now is 10.8 secs Computing kpt #: 36 total cpu time spent up to now is 11.1 secs Computing kpt #: 37 total cpu time spent up to now is 11.3 secs Computing kpt #: 38 total cpu time spent up to now is 11.5 secs Computing kpt #: 39 total cpu time spent up to now is 11.7 secs Computing kpt #: 40 total cpu time spent up to now is 11.9 secs Computing kpt #: 41 total cpu time spent up to now is 12.1 secs Computing kpt #: 42 total cpu time spent up to now is 12.3 secs Computing kpt #: 43 total cpu time spent up to now is 12.5 secs Computing kpt #: 44 total cpu time spent up to now is 12.7 secs Computing kpt #: 45 total cpu time spent up to now is 12.9 secs Computing kpt #: 46 total cpu time spent up to now is 13.1 secs Computing kpt #: 47 total cpu time spent up to now is 13.3 secs Computing kpt #: 48 total cpu time spent up to now is 13.5 secs Computing kpt #: 49 total cpu time spent up to now is 13.7 secs Computing kpt #: 50 total cpu time spent up to now is 13.9 secs Computing kpt #: 51 total cpu time spent up to now is 14.1 secs Computing kpt #: 52 total cpu time spent up to now is 14.3 secs Computing kpt #: 53 total cpu time spent up to now is 14.5 secs Computing kpt #: 54 total cpu time spent up to now is 14.7 secs Computing kpt #: 55 total cpu time spent up to now is 14.9 secs Computing kpt #: 56 total cpu time spent up to now is 15.1 secs Computing kpt #: 57 total cpu time spent up to now is 15.2 secs Computing kpt #: 58 total cpu time spent up to now is 15.4 secs Computing kpt #: 59 total cpu time spent up to now is 15.6 secs Computing kpt #: 60 total cpu time spent up to now is 15.8 secs Computing kpt #: 61 total cpu time spent up to now is 16.0 secs Computing kpt #: 62 total cpu time spent up to now is 16.2 secs Computing kpt #: 63 total cpu time spent up to now is 16.4 secs Computing kpt #: 64 total cpu time spent up to now is 16.6 secs Computing kpt #: 65 total cpu time spent up to now is 16.8 secs Computing kpt #: 66 total cpu time spent up to now is 17.0 secs Computing kpt #: 67 total cpu time spent up to now is 17.2 secs Computing kpt #: 68 total cpu time spent up to now is 17.4 secs Computing kpt #: 69 total cpu time spent up to now is 17.6 secs Computing kpt #: 70 total cpu time spent up to now is 17.8 secs Computing kpt #: 71 total cpu time spent up to now is 18.0 secs Computing kpt #: 72 total cpu time spent up to now is 18.2 secs Computing kpt #: 73 total cpu time spent up to now is 18.4 secs Computing kpt #: 74 total cpu time spent up to now is 18.5 secs Computing kpt #: 75 total cpu time spent up to now is 18.7 secs Computing kpt #: 76 total cpu time spent up to now is 18.9 secs Computing kpt #: 77 total cpu time spent up to now is 19.1 secs Computing kpt #: 78 total cpu time spent up to now is 19.3 secs Computing kpt #: 79 total cpu time spent up to now is 19.5 secs Computing kpt #: 80 total cpu time spent up to now is 19.7 secs Computing kpt #: 81 total cpu time spent up to now is 19.9 secs Computing kpt #: 82 total cpu time spent up to now is 20.2 secs Computing kpt #: 83 total cpu time spent up to now is 20.4 secs Computing kpt #: 84 total cpu time spent up to now is 20.6 secs Computing kpt #: 85 total cpu time spent up to now is 20.8 secs Computing kpt #: 86 total cpu time spent up to now is 21.0 secs Computing kpt #: 87 total cpu time spent up to now is 21.2 secs Computing kpt #: 88 total cpu time spent up to now is 21.4 secs Computing kpt #: 89 total cpu time spent up to now is 21.6 secs Computing kpt #: 90 total cpu time spent up to now is 21.9 secs Computing kpt #: 91 total cpu time spent up to now is 22.1 secs Computing kpt #: 92 total cpu time spent up to now is 22.3 secs Computing kpt #: 93 total cpu time spent up to now is 22.5 secs Computing kpt #: 94 total cpu time spent up to now is 22.7 secs Computing kpt #: 95 total cpu time spent up to now is 23.0 secs Computing kpt #: 96 total cpu time spent up to now is 23.2 secs Computing kpt #: 97 total cpu time spent up to now is 23.4 secs Computing kpt #: 98 total cpu time spent up to now is 23.6 secs Computing kpt #: 99 total cpu time spent up to now is 23.8 secs Computing kpt #: 100 total cpu time spent up to now is 24.0 secs Computing kpt #: 101 total cpu time spent up to now is 24.3 secs Computing kpt #: 102 total cpu time spent up to now is 24.5 secs Computing kpt #: 103 total cpu time spent up to now is 24.7 secs Computing kpt #: 104 total cpu time spent up to now is 24.9 secs Computing kpt #: 105 total cpu time spent up to now is 25.1 secs Computing kpt #: 106 total cpu time spent up to now is 25.3 secs Computing kpt #: 107 total cpu time spent up to now is 25.5 secs Computing kpt #: 108 total cpu time spent up to now is 25.7 secs Computing kpt #: 109 total cpu time spent up to now is 26.0 secs Computing kpt #: 110 total cpu time spent up to now is 26.3 secs Computing kpt #: 111 total cpu time spent up to now is 26.5 secs Computing kpt #: 112 total cpu time spent up to now is 26.8 secs Computing kpt #: 113 total cpu time spent up to now is 27.1 secs Computing kpt #: 114 total cpu time spent up to now is 27.3 secs Computing kpt #: 115 total cpu time spent up to now is 27.6 secs Computing kpt #: 116 total cpu time spent up to now is 27.8 secs Computing kpt #: 117 total cpu time spent up to now is 28.0 secs Computing kpt #: 118 total cpu time spent up to now is 28.2 secs Computing kpt #: 119 total cpu time spent up to now is 28.4 secs Computing kpt #: 120 total cpu time spent up to now is 28.5 secs Computing kpt #: 121 total cpu time spent up to now is 28.7 secs Computing kpt #: 122 total cpu time spent up to now is 28.9 secs Computing kpt #: 123 total cpu time spent up to now is 29.1 secs Computing kpt #: 124 total cpu time spent up to now is 29.3 secs Computing kpt #: 125 total cpu time spent up to now is 29.5 secs Computing kpt #: 126 total cpu time spent up to now is 29.7 secs Computing kpt #: 127 total cpu time spent up to now is 29.9 secs Computing kpt #: 128 total cpu time spent up to now is 30.1 secs Computing kpt #: 129 total cpu time spent up to now is 30.3 secs Computing kpt #: 130 total cpu time spent up to now is 30.5 secs Computing kpt #: 131 total cpu time spent up to now is 30.7 secs Computing kpt #: 132 total cpu time spent up to now is 30.8 secs Computing kpt #: 133 total cpu time spent up to now is 31.0 secs Computing kpt #: 134 total cpu time spent up to now is 31.2 secs Computing kpt #: 135 total cpu time spent up to now is 31.4 secs Computing kpt #: 136 total cpu time spent up to now is 31.6 secs Computing kpt #: 137 total cpu time spent up to now is 31.8 secs Computing kpt #: 138 total cpu time spent up to now is 32.0 secs Computing kpt #: 139 total cpu time spent up to now is 32.2 secs Computing kpt #: 140 total cpu time spent up to now is 32.4 secs Computing kpt #: 141 total cpu time spent up to now is 32.6 secs Computing kpt #: 142 total cpu time spent up to now is 32.8 secs Computing kpt #: 143 total cpu time spent up to now is 33.0 secs Computing kpt #: 144 total cpu time spent up to now is 33.2 secs Computing kpt #: 145 total cpu time spent up to now is 33.4 secs Computing kpt #: 146 total cpu time spent up to now is 33.6 secs Computing kpt #: 147 total cpu time spent up to now is 33.8 secs Computing kpt #: 148 total cpu time spent up to now is 34.0 secs Computing kpt #: 149 total cpu time spent up to now is 34.3 secs Computing kpt #: 150 total cpu time spent up to now is 34.5 secs Computing kpt #: 151 total cpu time spent up to now is 34.7 secs Computing kpt #: 152 total cpu time spent up to now is 34.9 secs Computing kpt #: 153 total cpu time spent up to now is 35.2 secs Computing kpt #: 154 total cpu time spent up to now is 35.4 secs Computing kpt #: 155 total cpu time spent up to now is 35.6 secs Computing kpt #: 156 total cpu time spent up to now is 35.8 secs Computing kpt #: 157 total cpu time spent up to now is 36.0 secs Computing kpt #: 158 total cpu time spent up to now is 36.2 secs Computing kpt #: 159 total cpu time spent up to now is 36.4 secs Computing kpt #: 160 total cpu time spent up to now is 36.6 secs Computing kpt #: 161 total cpu time spent up to now is 36.8 secs Computing kpt #: 162 total cpu time spent up to now is 36.9 secs Computing kpt #: 163 total cpu time spent up to now is 37.1 secs Computing kpt #: 164 total cpu time spent up to now is 37.3 secs Computing kpt #: 165 total cpu time spent up to now is 37.5 secs Computing kpt #: 166 total cpu time spent up to now is 37.7 secs Computing kpt #: 167 total cpu time spent up to now is 37.9 secs Computing kpt #: 168 total cpu time spent up to now is 38.1 secs Computing kpt #: 169 total cpu time spent up to now is 38.2 secs Computing kpt #: 170 total cpu time spent up to now is 38.4 secs Computing kpt #: 171 total cpu time spent up to now is 38.6 secs Computing kpt #: 172 total cpu time spent up to now is 38.8 secs Computing kpt #: 173 total cpu time spent up to now is 39.0 secs Computing kpt #: 174 total cpu time spent up to now is 39.2 secs Computing kpt #: 175 total cpu time spent up to now is 39.4 secs Computing kpt #: 176 total cpu time spent up to now is 39.7 secs Computing kpt #: 177 total cpu time spent up to now is 39.9 secs Computing kpt #: 178 total cpu time spent up to now is 40.1 secs Computing kpt #: 179 total cpu time spent up to now is 40.3 secs Computing kpt #: 180 total cpu time spent up to now is 40.5 secs Computing kpt #: 181 total cpu time spent up to now is 40.7 secs Computing kpt #: 182 total cpu time spent up to now is 40.9 secs Computing kpt #: 183 total cpu time spent up to now is 41.1 secs Computing kpt #: 184 total cpu time spent up to now is 41.4 secs Computing kpt #: 185 total cpu time spent up to now is 41.6 secs Computing kpt #: 186 total cpu time spent up to now is 41.9 secs Computing kpt #: 187 total cpu time spent up to now is 42.1 secs Computing kpt #: 188 total cpu time spent up to now is 42.4 secs Computing kpt #: 189 total cpu time spent up to now is 42.6 secs Computing kpt #: 190 total cpu time spent up to now is 42.9 secs Computing kpt #: 191 total cpu time spent up to now is 43.1 secs Computing kpt #: 192 total cpu time spent up to now is 43.3 secs Computing kpt #: 193 total cpu time spent up to now is 43.5 secs Computing kpt #: 194 total cpu time spent up to now is 43.7 secs Computing kpt #: 195 total cpu time spent up to now is 43.9 secs Computing kpt #: 196 total cpu time spent up to now is 44.1 secs Computing kpt #: 197 total cpu time spent up to now is 44.3 secs Computing kpt #: 198 total cpu time spent up to now is 44.5 secs Computing kpt #: 199 total cpu time spent up to now is 44.8 secs Computing kpt #: 200 total cpu time spent up to now is 45.0 secs Computing kpt #: 201 total cpu time spent up to now is 45.2 secs Computing kpt #: 202 total cpu time spent up to now is 45.5 secs Computing kpt #: 203 total cpu time spent up to now is 45.7 secs Computing kpt #: 204 total cpu time spent up to now is 46.0 secs Computing kpt #: 205 total cpu time spent up to now is 46.2 secs Computing kpt #: 206 total cpu time spent up to now is 46.4 secs Computing kpt #: 207 total cpu time spent up to now is 46.7 secs Computing kpt #: 208 total cpu time spent up to now is 46.9 secs Computing kpt #: 209 total cpu time spent up to now is 47.1 secs Computing kpt #: 210 total cpu time spent up to now is 47.4 secs Computing kpt #: 211 total cpu time spent up to now is 47.6 secs Computing kpt #: 212 total cpu time spent up to now is 47.9 secs Computing kpt #: 213 total cpu time spent up to now is 48.2 secs Computing kpt #: 214 total cpu time spent up to now is 48.4 secs Computing kpt #: 215 total cpu time spent up to now is 48.6 secs Computing kpt #: 216 total cpu time spent up to now is 48.9 secs Computing kpt #: 217 total cpu time spent up to now is 49.1 secs Computing kpt #: 218 total cpu time spent up to now is 49.3 secs Computing kpt #: 219 total cpu time spent up to now is 49.5 secs Computing kpt #: 220 total cpu time spent up to now is 49.7 secs Computing kpt #: 221 total cpu time spent up to now is 49.9 secs Computing kpt #: 222 total cpu time spent up to now is 50.1 secs Computing kpt #: 223 total cpu time spent up to now is 50.3 secs Computing kpt #: 224 total cpu time spent up to now is 50.5 secs Computing kpt #: 225 total cpu time spent up to now is 50.7 secs Computing kpt #: 226 total cpu time spent up to now is 50.9 secs Computing kpt #: 227 total cpu time spent up to now is 51.1 secs Computing kpt #: 228 total cpu time spent up to now is 51.3 secs Computing kpt #: 229 total cpu time spent up to now is 51.5 secs Computing kpt #: 230 total cpu time spent up to now is 51.7 secs Computing kpt #: 231 total cpu time spent up to now is 51.9 secs Computing kpt #: 232 total cpu time spent up to now is 52.1 secs Computing kpt #: 233 total cpu time spent up to now is 52.3 secs Computing kpt #: 234 total cpu time spent up to now is 52.5 secs Computing kpt #: 235 total cpu time spent up to now is 52.8 secs Computing kpt #: 236 total cpu time spent up to now is 53.1 secs Computing kpt #: 237 total cpu time spent up to now is 53.4 secs Computing kpt #: 238 total cpu time spent up to now is 53.6 secs Computing kpt #: 239 total cpu time spent up to now is 53.9 secs Computing kpt #: 240 total cpu time spent up to now is 54.1 secs Computing kpt #: 241 total cpu time spent up to now is 54.3 secs Computing kpt #: 242 total cpu time spent up to now is 54.6 secs Computing kpt #: 243 total cpu time spent up to now is 54.8 secs Computing kpt #: 244 total cpu time spent up to now is 55.1 secs Computing kpt #: 245 total cpu time spent up to now is 55.3 secs Computing kpt #: 246 total cpu time spent up to now is 55.5 secs Computing kpt #: 247 total cpu time spent up to now is 55.7 secs Computing kpt #: 248 total cpu time spent up to now is 55.9 secs Computing kpt #: 249 total cpu time spent up to now is 56.1 secs Computing kpt #: 250 total cpu time spent up to now is 56.3 secs Computing kpt #: 251 total cpu time spent up to now is 56.5 secs Computing kpt #: 252 total cpu time spent up to now is 56.7 secs Computing kpt #: 253 total cpu time spent up to now is 56.9 secs Computing kpt #: 254 total cpu time spent up to now is 57.1 secs Computing kpt #: 255 total cpu time spent up to now is 57.3 secs Computing kpt #: 256 total cpu time spent up to now is 57.5 secs Computing kpt #: 257 total cpu time spent up to now is 57.7 secs Computing kpt #: 258 total cpu time spent up to now is 57.9 secs Computing kpt #: 259 total cpu time spent up to now is 58.1 secs Computing kpt #: 260 total cpu time spent up to now is 58.4 secs Computing kpt #: 261 total cpu time spent up to now is 58.6 secs Computing kpt #: 262 total cpu time spent up to now is 58.9 secs Computing kpt #: 263 total cpu time spent up to now is 59.1 secs Computing kpt #: 264 total cpu time spent up to now is 59.4 secs Computing kpt #: 265 total cpu time spent up to now is 59.7 secs Computing kpt #: 266 total cpu time spent up to now is 60.0 secs Computing kpt #: 267 total cpu time spent up to now is 60.4 secs Computing kpt #: 268 total cpu time spent up to now is 60.8 secs Computing kpt #: 269 total cpu time spent up to now is 61.1 secs Computing kpt #: 270 total cpu time spent up to now is 61.3 secs Computing kpt #: 271 total cpu time spent up to now is 61.6 secs Computing kpt #: 272 total cpu time spent up to now is 61.8 secs Computing kpt #: 273 total cpu time spent up to now is 62.1 secs Computing kpt #: 274 total cpu time spent up to now is 62.3 secs Computing kpt #: 275 total cpu time spent up to now is 62.6 secs Computing kpt #: 276 total cpu time spent up to now is 62.8 secs Computing kpt #: 277 total cpu time spent up to now is 63.0 secs Computing kpt #: 278 total cpu time spent up to now is 63.2 secs Computing kpt #: 279 total cpu time spent up to now is 63.4 secs Computing kpt #: 280 total cpu time spent up to now is 63.7 secs Computing kpt #: 281 total cpu time spent up to now is 63.9 secs Computing kpt #: 282 total cpu time spent up to now is 64.1 secs Computing kpt #: 283 total cpu time spent up to now is 64.3 secs Computing kpt #: 284 total cpu time spent up to now is 64.5 secs Computing kpt #: 285 total cpu time spent up to now is 64.7 secs Computing kpt #: 286 total cpu time spent up to now is 64.9 secs Computing kpt #: 287 total cpu time spent up to now is 65.1 secs Computing kpt #: 288 total cpu time spent up to now is 65.3 secs Computing kpt #: 289 total cpu time spent up to now is 65.5 secs Computing kpt #: 290 total cpu time spent up to now is 65.7 secs Computing kpt #: 291 total cpu time spent up to now is 65.8 secs Computing kpt #: 292 total cpu time spent up to now is 66.0 secs Computing kpt #: 293 total cpu time spent up to now is 66.2 secs Computing kpt #: 294 total cpu time spent up to now is 66.4 secs Computing kpt #: 295 total cpu time spent up to now is 66.6 secs Computing kpt #: 296 total cpu time spent up to now is 66.8 secs Computing kpt #: 297 total cpu time spent up to now is 66.9 secs Computing kpt #: 298 total cpu time spent up to now is 67.1 secs Computing kpt #: 299 total cpu time spent up to now is 67.3 secs Computing kpt #: 300 total cpu time spent up to now is 67.5 secs Computing kpt #: 301 total cpu time spent up to now is 67.7 secs Computing kpt #: 302 total cpu time spent up to now is 67.9 secs Computing kpt #: 303 total cpu time spent up to now is 68.0 secs Computing kpt #: 304 total cpu time spent up to now is 68.2 secs Computing kpt #: 305 total cpu time spent up to now is 68.4 secs Computing kpt #: 306 total cpu time spent up to now is 68.6 secs Computing kpt #: 307 total cpu time spent up to now is 68.8 secs Computing kpt #: 308 total cpu time spent up to now is 69.0 secs Computing kpt #: 309 total cpu time spent up to now is 69.2 secs Computing kpt #: 310 total cpu time spent up to now is 69.3 secs Computing kpt #: 311 total cpu time spent up to now is 69.5 secs Computing kpt #: 312 total cpu time spent up to now is 69.7 secs Computing kpt #: 313 total cpu time spent up to now is 69.9 secs Computing kpt #: 314 total cpu time spent up to now is 70.1 secs Computing kpt #: 315 total cpu time spent up to now is 70.3 secs Computing kpt #: 316 total cpu time spent up to now is 70.6 secs Computing kpt #: 317 total cpu time spent up to now is 70.8 secs Computing kpt #: 318 total cpu time spent up to now is 71.0 secs Computing kpt #: 319 total cpu time spent up to now is 71.2 secs Computing kpt #: 320 total cpu time spent up to now is 71.4 secs Computing kpt #: 321 total cpu time spent up to now is 71.6 secs Computing kpt #: 322 total cpu time spent up to now is 71.8 secs Computing kpt #: 323 total cpu time spent up to now is 72.0 secs Computing kpt #: 324 total cpu time spent up to now is 72.2 secs Computing kpt #: 325 total cpu time spent up to now is 72.4 secs Computing kpt #: 326 total cpu time spent up to now is 72.5 secs Computing kpt #: 327 total cpu time spent up to now is 72.7 secs Computing kpt #: 328 total cpu time spent up to now is 72.9 secs Computing kpt #: 329 total cpu time spent up to now is 73.1 secs Computing kpt #: 330 total cpu time spent up to now is 73.3 secs Computing kpt #: 331 total cpu time spent up to now is 73.5 secs Computing kpt #: 332 total cpu time spent up to now is 73.7 secs Computing kpt #: 333 total cpu time spent up to now is 73.9 secs Computing kpt #: 334 total cpu time spent up to now is 74.1 secs Computing kpt #: 335 total cpu time spent up to now is 74.3 secs Computing kpt #: 336 total cpu time spent up to now is 74.5 secs Computing kpt #: 337 total cpu time spent up to now is 74.7 secs Computing kpt #: 338 total cpu time spent up to now is 74.9 secs Computing kpt #: 339 total cpu time spent up to now is 75.1 secs Computing kpt #: 340 total cpu time spent up to now is 75.3 secs Computing kpt #: 341 total cpu time spent up to now is 75.5 secs Computing kpt #: 342 total cpu time spent up to now is 75.6 secs Computing kpt #: 343 total cpu time spent up to now is 75.8 secs Computing kpt #: 344 total cpu time spent up to now is 76.0 secs Computing kpt #: 345 total cpu time spent up to now is 76.2 secs Computing kpt #: 346 total cpu time spent up to now is 76.4 secs Computing kpt #: 347 total cpu time spent up to now is 76.6 secs Computing kpt #: 348 total cpu time spent up to now is 76.7 secs Computing kpt #: 349 total cpu time spent up to now is 76.9 secs Computing kpt #: 350 total cpu time spent up to now is 77.1 secs Computing kpt #: 351 total cpu time spent up to now is 77.3 secs Computing kpt #: 352 total cpu time spent up to now is 77.5 secs Computing kpt #: 353 total cpu time spent up to now is 77.7 secs Computing kpt #: 354 total cpu time spent up to now is 77.9 secs Computing kpt #: 355 total cpu time spent up to now is 78.0 secs Computing kpt #: 356 total cpu time spent up to now is 78.2 secs Computing kpt #: 357 total cpu time spent up to now is 78.4 secs Computing kpt #: 358 total cpu time spent up to now is 78.6 secs Computing kpt #: 359 total cpu time spent up to now is 78.8 secs Computing kpt #: 360 total cpu time spent up to now is 79.0 secs Computing kpt #: 361 total cpu time spent up to now is 79.2 secs Computing kpt #: 362 total cpu time spent up to now is 79.3 secs Computing kpt #: 363 total cpu time spent up to now is 79.5 secs Computing kpt #: 364 total cpu time spent up to now is 79.7 secs Computing kpt #: 365 total cpu time spent up to now is 79.9 secs Computing kpt #: 366 total cpu time spent up to now is 80.1 secs Computing kpt #: 367 total cpu time spent up to now is 80.3 secs Computing kpt #: 368 total cpu time spent up to now is 80.5 secs Computing kpt #: 369 total cpu time spent up to now is 80.7 secs Computing kpt #: 370 total cpu time spent up to now is 80.9 secs Computing kpt #: 371 total cpu time spent up to now is 81.1 secs Computing kpt #: 372 total cpu time spent up to now is 81.3 secs Computing kpt #: 373 total cpu time spent up to now is 81.5 secs Computing kpt #: 374 total cpu time spent up to now is 81.8 secs Computing kpt #: 375 total cpu time spent up to now is 82.0 secs Computing kpt #: 376 total cpu time spent up to now is 82.3 secs Computing kpt #: 377 total cpu time spent up to now is 82.5 secs Computing kpt #: 378 total cpu time spent up to now is 82.7 secs Computing kpt #: 379 total cpu time spent up to now is 82.9 secs Computing kpt #: 380 total cpu time spent up to now is 83.1 secs Computing kpt #: 381 total cpu time spent up to now is 83.3 secs Computing kpt #: 382 total cpu time spent up to now is 83.5 secs Computing kpt #: 383 total cpu time spent up to now is 83.7 secs Computing kpt #: 384 total cpu time spent up to now is 83.9 secs Computing kpt #: 385 total cpu time spent up to now is 84.0 secs Computing kpt #: 386 total cpu time spent up to now is 84.2 secs Computing kpt #: 387 total cpu time spent up to now is 84.4 secs Computing kpt #: 388 total cpu time spent up to now is 84.6 secs Computing kpt #: 389 total cpu time spent up to now is 84.8 secs Computing kpt #: 390 total cpu time spent up to now is 85.0 secs Computing kpt #: 391 total cpu time spent up to now is 85.1 secs Computing kpt #: 392 total cpu time spent up to now is 85.3 secs Computing kpt #: 393 total cpu time spent up to now is 85.5 secs Computing kpt #: 394 total cpu time spent up to now is 85.7 secs Computing kpt #: 395 total cpu time spent up to now is 85.9 secs Computing kpt #: 396 total cpu time spent up to now is 86.1 secs Computing kpt #: 397 total cpu time spent up to now is 86.3 secs Computing kpt #: 398 total cpu time spent up to now is 86.6 secs Computing kpt #: 399 total cpu time spent up to now is 86.8 secs Computing kpt #: 400 total cpu time spent up to now is 87.0 secs Computing kpt #: 401 total cpu time spent up to now is 87.2 secs Computing kpt #: 402 total cpu time spent up to now is 87.5 secs Computing kpt #: 403 total cpu time spent up to now is 87.7 secs Computing kpt #: 404 total cpu time spent up to now is 87.9 secs Computing kpt #: 405 total cpu time spent up to now is 88.1 secs Computing kpt #: 406 total cpu time spent up to now is 88.3 secs Computing kpt #: 407 total cpu time spent up to now is 88.5 secs Computing kpt #: 408 total cpu time spent up to now is 88.6 secs Computing kpt #: 409 total cpu time spent up to now is 88.8 secs Computing kpt #: 410 total cpu time spent up to now is 89.0 secs Computing kpt #: 411 total cpu time spent up to now is 89.2 secs Computing kpt #: 412 total cpu time spent up to now is 89.4 secs Computing kpt #: 413 total cpu time spent up to now is 89.6 secs Computing kpt #: 414 total cpu time spent up to now is 89.7 secs Computing kpt #: 415 total cpu time spent up to now is 89.9 secs Computing kpt #: 416 total cpu time spent up to now is 90.1 secs Computing kpt #: 417 total cpu time spent up to now is 90.3 secs Computing kpt #: 418 total cpu time spent up to now is 90.5 secs Computing kpt #: 419 total cpu time spent up to now is 90.6 secs Computing kpt #: 420 total cpu time spent up to now is 90.8 secs Computing kpt #: 421 total cpu time spent up to now is 91.0 secs Computing kpt #: 422 total cpu time spent up to now is 91.2 secs Computing kpt #: 423 total cpu time spent up to now is 91.4 secs Computing kpt #: 424 total cpu time spent up to now is 91.6 secs Computing kpt #: 425 total cpu time spent up to now is 91.8 secs ethr = 4.17E-08, avg # of iterations = 16.9 total cpu time spent up to now is 91.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1745 PWs) bands (ev): -62.2120 -62.2120 -29.1341 -29.1341 -28.8579 -28.8579 -28.8317 -28.8317 -6.4763 -6.4763 -2.6613 -2.6613 3.9695 3.9695 10.5498 10.5498 10.5610 10.5610 11.4267 11.4267 11.4474 11.4474 11.5093 11.5093 16.7136 16.7136 17.7447 17.7447 21.3411 21.3411 21.4173 21.4173 k = 0.0077-0.0122-0.0075 ( 1750 PWs) bands (ev): -62.2120 -62.2120 -29.1342 -29.1342 -28.8580 -28.8580 -28.8317 -28.8317 -6.4751 -6.4751 -2.6606 -2.6606 3.9707 3.9707 10.5443 10.5443 10.5568 10.5568 11.4240 11.4240 11.4450 11.4450 11.5097 11.5097 16.7182 16.7182 17.7496 17.7496 21.2989 21.2989 21.4343 21.4343 k = 0.0154-0.0245-0.0149 ( 1754 PWs) bands (ev): -62.2120 -62.2120 -29.1342 -29.1342 -28.8580 -28.8580 -28.8319 -28.8319 -6.4716 -6.4716 -2.6586 -2.6586 3.9744 3.9744 10.5236 10.5236 10.5486 10.5486 11.4128 11.4128 11.4407 11.4407 11.5108 11.5108 16.7319 16.7319 17.7643 17.7643 21.2279 21.2279 21.4464 21.4464 k = 0.0231-0.0367-0.0224 ( 1756 PWs) bands (ev): -62.2120 -62.2120 -29.1343 -29.1343 -28.8580 -28.8580 -28.8321 -28.8321 -6.4658 -6.4658 -2.6553 -2.6553 3.9806 3.9806 10.4870 10.4870 10.5380 10.5380 11.3899 11.3899 11.4377 11.4377 11.5125 11.5125 16.7545 16.7545 17.7885 17.7885 21.1509 21.1509 21.4591 21.4591 k = 0.0308-0.0489-0.0298 ( 1756 PWs) bands (ev): -62.2119 -62.2119 -29.1344 -29.1344 -28.8581 -28.8581 -28.8323 -28.8323 -6.4577 -6.4577 -2.6507 -2.6507 3.9893 3.9893 10.4361 10.4361 10.5240 10.5240 11.3557 11.3557 11.4355 11.4355 11.5146 11.5146 16.7857 16.7857 17.8220 17.8220 21.0708 21.0708 21.4755 21.4755 k = 0.0385-0.0611-0.0373 ( 1756 PWs) bands (ev): -62.2119 -62.2119 -29.1346 -29.1346 -28.8582 -28.8582 -28.8326 -28.8326 -6.4472 -6.4472 -2.6448 -2.6448 4.0004 4.0004 10.3723 10.3723 10.5065 10.5065 11.3115 11.3115 11.4332 11.4332 11.5166 11.5166 16.8249 16.8249 17.8643 17.8643 20.9883 20.9883 21.4962 21.4962 k = 0.0462-0.0734-0.0447 ( 1758 PWs) bands (ev): -62.2118 -62.2118 -29.1348 -29.1348 -28.8583 -28.8583 -28.8330 -28.8330 -6.4345 -6.4345 -2.6376 -2.6376 4.0140 4.0140 10.2967 10.2967 10.4856 10.4856 11.2581 11.2581 11.4305 11.4305 11.5178 11.5178 16.8715 16.8715 17.9148 17.9148 20.9038 20.9038 21.5211 21.5211 k = 0.0538-0.0856-0.0522 ( 1756 PWs) bands (ev): -62.2117 -62.2117 -29.1350 -29.1350 -28.8584 -28.8584 -28.8335 -28.8335 -6.4194 -6.4194 -2.6291 -2.6291 4.0300 4.0300 10.2102 10.2102 10.4615 10.4615 11.1960 11.1960 11.4271 11.4271 11.5180 11.5180 16.9249 16.9249 17.9728 17.9728 20.8179 20.8179 21.5504 21.5504 k = 0.0615-0.0978-0.0596 ( 1762 PWs) bands (ev): -62.2116 -62.2116 -29.1353 -29.1353 -28.8585 -28.8585 -28.8340 -28.8340 -6.4020 -6.4020 -2.6193 -2.6193 4.0485 4.0485 10.1138 10.1138 10.4343 10.4343 11.1259 11.1259 11.4230 11.4230 11.5167 11.5167 16.9843 16.9843 18.0376 18.0376 20.7309 20.7309 21.5838 21.5838 k = 0.0692-0.1101-0.0671 ( 1766 PWs) bands (ev): -62.2115 -62.2115 -29.1356 -29.1356 -28.8587 -28.8587 -28.8346 -28.8346 -6.3823 -6.3823 -2.6082 -2.6082 4.0693 4.0693 10.0086 10.0086 10.4043 10.4043 11.0484 11.0484 11.4179 11.4179 11.5138 11.5138 17.0492 17.0492 18.1081 18.1081 20.6433 20.6433 21.6213 21.6213 k = 0.0769-0.1223-0.0745 ( 1762 PWs) bands (ev): -62.2114 -62.2114 -29.1359 -29.1359 -28.8588 -28.8588 -28.8352 -28.8352 -6.3603 -6.3603 -2.5959 -2.5959 4.0926 4.0926 9.8952 9.8952 10.3717 10.3717 10.9641 10.9641 11.4118 11.4118 11.5090 11.5090 17.1186 17.1186 18.1834 18.1834 20.5557 20.5557 21.6627 21.6627 k = 0.0846-0.1345-0.0820 ( 1764 PWs) bands (ev): -62.2113 -62.2113 -29.1362 -29.1362 -28.8590 -28.8590 -28.8359 -28.8359 -6.3360 -6.3360 -2.5823 -2.5823 4.1182 4.1182 9.7746 9.7746 10.3367 10.3367 10.8737 10.8737 11.4046 11.4046 11.5023 11.5023 17.1920 17.1920 18.2621 18.2621 20.4691 20.4691 21.7080 21.7080 k = 0.0923-0.1467-0.0894 ( 1765 PWs) bands (ev): -62.2112 -62.2112 -29.1366 -29.1366 -28.8592 -28.8592 -28.8366 -28.8366 -6.3095 -6.3095 -2.5676 -2.5676 4.1461 4.1461 9.6474 9.6474 10.2995 10.2995 10.7776 10.7776 11.3962 11.3962 11.4936 11.4936 17.2687 17.2687 18.3430 18.3430 20.3843 20.3843 21.7568 21.7568 k = 0.1000-0.1590-0.0969 ( 1767 PWs) bands (ev): -62.2110 -62.2110 -29.1370 -29.1370 -28.8595 -28.8595 -28.8374 -28.8374 -6.2807 -6.2807 -2.5516 -2.5516 4.1764 4.1764 9.5143 9.5143 10.2604 10.2604 10.6764 10.6764 11.3866 11.3866 11.4830 11.4830 17.3480 17.3480 18.4243 18.4243 20.3026 20.3026 21.8091 21.8091 k = 0.1077-0.1712-0.1043 ( 1763 PWs) bands (ev): -62.2108 -62.2108 -29.1375 -29.1375 -28.8597 -28.8597 -28.8382 -28.8382 -6.2497 -6.2497 -2.5345 -2.5345 4.2089 4.2089 9.3761 9.3761 10.2196 10.2196 10.5706 10.5706 11.3757 11.3757 11.4703 11.4703 17.4293 17.4293 18.5040 18.5040 20.2256 20.2256 21.8645 21.8645 k = 0.1154-0.1834-0.1118 ( 1759 PWs) bands (ev): -62.2107 -62.2107 -29.1379 -29.1379 -28.8600 -28.8600 -28.8390 -28.8390 -6.2164 -6.2164 -2.5162 -2.5162 4.2437 4.2437 9.2333 9.2333 10.1772 10.1772 10.4607 10.4607 11.3636 11.3636 11.4557 11.4557 17.5120 17.5120 18.5797 18.5797 20.1554 20.1554 21.9230 21.9230 k = 0.1231-0.1957-0.1192 ( 1757 PWs) bands (ev): -62.2105 -62.2105 -29.1384 -29.1384 -28.8603 -28.8603 -28.8399 -28.8399 -6.1808 -6.1808 -2.4968 -2.4968 4.2806 4.2806 9.0864 9.0864 10.1334 10.1334 10.3471 10.3471 11.3502 11.3502 11.4391 11.4391 17.5955 17.5955 18.6484 18.6484 20.0944 20.0944 21.9841 21.9841 k = 0.1308-0.2079-0.1267 ( 1761 PWs) bands (ev): -62.2103 -62.2103 -29.1390 -29.1390 -28.8607 -28.8607 -28.8407 -28.8407 -6.1431 -6.1431 -2.4763 -2.4763 4.3197 4.3197 8.9360 8.9360 10.0885 10.0885 10.2302 10.2302 11.3355 11.3355 11.4205 11.4205 17.6791 17.6791 18.7069 18.7069 20.0456 20.0456 22.0477 22.0477 k = 0.1385-0.2201-0.1341 ( 1763 PWs) bands (ev): -62.2101 -62.2101 -29.1396 -29.1396 -28.8612 -28.8612 -28.8416 -28.8416 -6.1032 -6.1032 -2.4548 -2.4548 4.3609 4.3609 8.7826 8.7826 10.0424 10.0424 10.1106 10.1106 11.3195 11.3195 11.4001 11.4001 17.7622 17.7622 18.7516 18.7516 20.0121 20.0121 22.1134 22.1134 k = 0.1462-0.2323-0.1416 ( 1763 PWs) bands (ev): -62.2099 -62.2099 -29.1401 -29.1401 -28.8616 -28.8616 -28.8425 -28.8425 -6.0611 -6.0611 -2.4323 -2.4323 4.4042 4.4042 8.6267 8.6267 9.9855 9.9855 9.9984 9.9984 11.3024 11.3024 11.3777 11.3777 17.8440 17.8440 18.7798 18.7798 19.9963 19.9963 22.1804 22.1804 k = 0.1538-0.2446-0.1490 ( 1764 PWs) bands (ev): -62.2097 -62.2097 -29.1408 -29.1408 -28.8621 -28.8621 -28.8434 -28.8434 -6.0168 -6.0168 -2.4088 -2.4088 4.4494 4.4494 8.4687 8.4687 9.8631 9.8631 9.9489 9.9489 11.2841 11.2841 11.3535 11.3535 17.9236 17.9236 18.7903 18.7903 19.9994 19.9994 22.1898 22.1898 k = 0.1615-0.2568-0.1565 ( 1760 PWs) bands (ev): -62.2095 -62.2095 -29.1414 -29.1414 -28.8627 -28.8627 -28.8443 -28.8443 -5.9704 -5.9704 -2.3844 -2.3844 4.4965 4.4965 8.3089 8.3089 9.7369 9.7369 9.9008 9.9008 11.2648 11.2648 11.3274 11.3274 17.9995 17.9995 18.7845 18.7845 20.0200 20.0200 22.1351 22.1351 k = 0.1692-0.2690-0.1639 ( 1761 PWs) bands (ev): -62.2092 -62.2092 -29.1421 -29.1421 -28.8633 -28.8633 -28.8451 -28.8451 -5.9219 -5.9219 -2.3592 -2.3592 4.5455 4.5455 8.1479 8.1479 9.6089 9.6089 9.8524 9.8524 11.2444 11.2444 11.2994 11.2994 18.0697 18.0697 18.7662 18.7662 20.0553 20.0553 22.0793 22.0793 k = 0.1769-0.2813-0.1714 ( 1761 PWs) bands (ev): -62.2090 -62.2090 -29.1428 -29.1428 -28.8640 -28.8640 -28.8459 -28.8459 -5.8713 -5.8713 -2.3332 -2.3332 4.5962 4.5962 7.9860 7.9860 9.4797 9.4797 9.8037 9.8037 11.2230 11.2230 11.2697 11.2697 18.1309 18.1309 18.7416 18.7416 20.1007 20.1007 22.0262 22.0262 k = 0.1846-0.2935-0.1788 ( 1761 PWs) bands (ev): -62.2088 -62.2088 -29.1435 -29.1435 -28.8648 -28.8648 -28.8467 -28.8467 -5.8186 -5.8186 -2.3064 -2.3064 4.6485 4.6485 7.8236 7.8236 9.3495 9.3495 9.7549 9.7549 11.2007 11.2007 11.2382 11.2382 18.1781 18.1781 18.7188 18.7188 20.1517 20.1517 21.9783 21.9783 k = 0.1923-0.3057-0.1863 ( 1765 PWs) bands (ev): -62.2085 -62.2085 -29.1443 -29.1443 -28.8656 -28.8656 -28.8474 -28.8474 -5.7639 -5.7639 -2.2790 -2.2790 4.7023 4.7023 7.6609 7.6609 9.2185 9.2185 9.7061 9.7061 11.1773 11.1773 11.2050 11.2050 18.2045 18.2045 18.7073 18.7073 20.2042 20.2042 21.9375 21.9375 k = 0.2000-0.3179-0.1937 ( 1761 PWs) bands (ev): -62.2083 -62.2083 -29.1451 -29.1451 -28.8665 -28.8665 -28.8481 -28.8481 -5.7071 -5.7071 -2.2510 -2.2510 4.7575 4.7575 7.4986 7.4986 9.0870 9.0870 9.6574 9.6574 11.1526 11.1526 11.1707 11.1707 18.2049 18.2049 18.7145 18.7145 20.2547 20.2547 21.9052 21.9052 k = 0.2077-0.3302-0.2012 ( 1761 PWs) bands (ev): -62.2080 -62.2080 -29.1459 -29.1459 -28.8674 -28.8674 -28.8487 -28.8487 -5.6484 -5.6484 -2.2224 -2.2224 4.8139 4.8139 7.3368 7.3368 8.9552 8.9552 9.6088 9.6088 11.1246 11.1246 11.1372 11.1372 18.1795 18.1795 18.7416 18.7416 20.3003 20.3003 21.8823 21.8823 k = 0.2154-0.3424-0.2087 ( 1755 PWs) bands (ev): -62.2078 -62.2078 -29.1467 -29.1467 -28.8684 -28.8684 -28.8493 -28.8493 -5.5877 -5.5877 -2.1935 -2.1935 4.8712 4.8712 7.1760 7.1760 8.8235 8.8235 9.5606 9.5606 11.0894 11.0894 11.1086 11.1086 18.1343 18.1343 18.7838 18.7838 20.3392 20.3392 21.8689 21.8689 k = 0.2231-0.3546-0.2161 ( 1753 PWs) bands (ev): -62.2075 -62.2075 -29.1475 -29.1475 -28.8695 -28.8695 -28.8498 -28.8498 -5.5250 -5.5250 -2.1642 -2.1642 4.9292 4.9292 7.0167 7.0167 8.6921 8.6921 9.5127 9.5127 11.0496 11.0496 11.0823 11.0823 18.0761 18.0761 18.8351 18.8351 20.3705 20.3705 21.8641 21.8641 k = 0.2308-0.3669-0.2236 ( 1755 PWs) bands (ev): -62.2073 -62.2073 -29.1484 -29.1484 -28.8706 -28.8706 -28.8503 -28.8503 -5.4605 -5.4605 -2.1348 -2.1348 4.9874 4.9874 6.8593 6.8593 8.5612 8.5612 9.4653 9.4653 11.0073 11.0073 11.0562 11.0562 18.0099 18.0099 18.8906 18.8906 20.3942 20.3942 21.8662 21.8662 k = 0.2385-0.3791-0.2310 ( 1755 PWs) bands (ev): -62.2070 -62.2070 -29.1492 -29.1492 -28.8718 -28.8718 -28.8507 -28.8507 -5.3942 -5.3942 -2.1052 -2.1052 5.0454 5.0454 6.7044 6.7044 8.4312 8.4312 9.4185 9.4185 10.9629 10.9629 11.0301 11.0301 17.9392 17.9392 18.9473 18.9473 20.4112 20.4112 21.8728 21.8728 k = 0.2462-0.3913-0.2385 ( 1751 PWs) bands (ev): -62.2067 -62.2067 -29.1501 -29.1501 -28.8730 -28.8730 -28.8511 -28.8511 -5.3260 -5.3260 -2.0757 -2.0757 5.1024 5.1024 6.5530 6.5530 8.3024 8.3024 9.3723 9.3723 10.9167 10.9167 11.0039 11.0039 17.8661 17.8661 19.0032 19.0032 20.4228 20.4228 21.8809 21.8809 k = 0.2538-0.4035-0.2459 ( 1751 PWs) bands (ev): -62.2065 -62.2065 -29.1510 -29.1510 -28.8742 -28.8742 -28.8514 -28.8514 -5.2561 -5.2561 -2.0463 -2.0463 5.1573 5.1573 6.4061 6.4061 8.1750 8.1750 9.3268 9.3268 10.8685 10.8685 10.9777 10.9777 17.7918 17.7918 19.0569 19.0569 20.4306 20.4306 21.8870 21.8870 k = 0.2615-0.4158-0.2534 ( 1747 PWs) bands (ev): -62.2062 -62.2062 -29.1519 -29.1519 -28.8754 -28.8754 -28.8517 -28.8517 -5.1845 -5.1845 -2.0173 -2.0173 5.2082 5.2082 6.2656 6.2656 8.0496 8.0496 9.2821 9.2821 10.8185 10.8185 10.9515 10.9515 17.7174 17.7174 19.1072 19.1072 20.4366 20.4366 21.8881 21.8881 k = 0.2692-0.4280-0.2608 ( 1749 PWs) bands (ev): -62.2059 -62.2059 -29.1528 -29.1528 -28.8767 -28.8767 -28.8520 -28.8520 -5.1112 -5.1112 -1.9887 -1.9887 5.2523 5.2523 6.1341 6.1341 7.9265 7.9265 9.2382 9.2382 10.7667 10.7667 10.9253 10.9253 17.6434 17.6434 19.1533 19.1533 20.4424 20.4424 21.8816 21.8816 k = 0.2769-0.4402-0.2683 ( 1747 PWs) bands (ev): -62.2057 -62.2057 -29.1537 -29.1537 -28.8780 -28.8780 -28.8523 -28.8523 -5.0363 -5.0363 -1.9607 -1.9607 5.2845 5.2845 6.0167 6.0167 7.8064 7.8064 9.1952 9.1952 10.7131 10.7131 10.8993 10.8993 17.5704 17.5704 19.1946 19.1946 20.4494 20.4494 21.8658 21.8658 k = 0.2846-0.4525-0.2757 ( 1747 PWs) bands (ev): -62.2054 -62.2054 -29.1547 -29.1547 -28.8793 -28.8793 -28.8525 -28.8525 -4.9599 -4.9599 -1.9336 -1.9336 5.2967 5.2967 5.9210 5.9210 7.6898 7.6898 9.1533 9.1533 10.6577 10.6577 10.8735 10.8735 17.4987 17.4987 19.2306 19.2306 20.4589 20.4589 21.8398 21.8398 k = 0.2923-0.4647-0.2832 ( 1745 PWs) bands (ev): -62.2052 -62.2052 -29.1556 -29.1556 -28.8805 -28.8805 -28.8527 -28.8527 -4.8819 -4.8819 -1.9075 -1.9075 5.2791 5.2791 5.8565 5.8565 7.5777 7.5777 9.1123 9.1123 10.6004 10.6004 10.8480 10.8480 17.4285 17.4285 19.2611 19.2611 20.4716 20.4716 21.8038 21.8038 k = 0.3000-0.4769-0.2906 ( 1745 PWs) bands (ev): -62.2049 -62.2049 -29.1565 -29.1565 -28.8818 -28.8818 -28.8529 -28.8529 -4.8026 -4.8026 -1.8826 -1.8826 5.2267 5.2267 5.8274 5.8274 7.4712 7.4712 9.0725 9.0725 10.5415 10.5415 10.8228 10.8228 17.3602 17.3602 19.2861 19.2861 20.4881 20.4881 21.7588 21.7588 k = 0.3077-0.4891-0.2981 ( 1747 PWs) bands (ev): -62.2047 -62.2047 -29.1574 -29.1574 -28.8831 -28.8831 -28.8531 -28.8531 -4.7219 -4.7219 -1.8591 -1.8591 5.1459 5.1459 5.8262 5.8262 7.3715 7.3715 9.0337 9.0337 10.4807 10.4807 10.7980 10.7980 17.2938 17.2938 19.3056 19.3056 20.5084 20.5084 21.7062 21.7062 k = 0.3154-0.5014-0.3055 ( 1744 PWs) bands (ev): -62.2044 -62.2044 -29.1583 -29.1583 -28.8843 -28.8843 -28.8532 -28.8532 -4.6400 -4.6400 -1.8372 -1.8372 5.0479 5.0479 5.8406 5.8406 7.2804 7.2804 8.9962 8.9962 10.4183 10.4183 10.7738 10.7738 17.2295 17.2295 19.3202 19.3202 20.5324 20.5324 21.6476 21.6476 k = 0.3231-0.5136-0.3130 ( 1745 PWs) bands (ev): -62.2042 -62.2042 -29.1592 -29.1592 -28.8855 -28.8855 -28.8534 -28.8534 -4.5569 -4.5569 -1.8173 -1.8173 4.9416 4.9416 5.8598 5.8598 7.2002 7.2002 8.9599 8.9599 10.3542 10.3542 10.7501 10.7501 17.1674 17.1674 19.3302 19.3302 20.5595 20.5595 21.5848 21.5848 k = 0.3308-0.5258-0.3204 ( 1743 PWs) bands (ev): -62.2040 -62.2040 -29.1601 -29.1601 -28.8867 -28.8867 -28.8535 -28.8535 -4.4727 -4.4727 -1.7994 -1.7994 4.8323 4.8323 5.8762 5.8762 7.1332 7.1332 8.9248 8.9248 10.2884 10.2884 10.7270 10.7270 17.1077 17.1077 19.3363 19.3363 20.5890 20.5890 21.5195 21.5195 k = 0.3385-0.5381-0.3279 ( 1741 PWs) bands (ev): -62.2037 -62.2037 -29.1609 -29.1609 -28.8878 -28.8878 -28.8536 -28.8536 -4.3876 -4.3876 -1.7839 -1.7839 4.7233 4.7233 5.8844 5.8844 7.0823 7.0823 8.8911 8.8911 10.2210 10.2210 10.7045 10.7045 17.0503 17.0503 19.3390 19.3390 20.6202 20.6202 21.4530 21.4530 k = 0.3462-0.5503-0.3353 ( 1741 PWs) bands (ev): -62.2035 -62.2035 -29.1618 -29.1618 -28.8889 -28.8889 -28.8537 -28.8537 -4.3016 -4.3016 -1.7710 -1.7710 4.6164 4.6164 5.8809 5.8809 7.0495 7.0495 8.8586 8.8586 10.1521 10.1521 10.6828 10.6828 16.9953 16.9953 19.3390 19.3390 20.6521 20.6521 21.3869 21.3869 k = 0.3538-0.5625-0.3428 ( 1744 PWs) bands (ev): -62.2033 -62.2033 -29.1626 -29.1626 -28.8900 -28.8900 -28.8538 -28.8538 -4.2148 -4.2148 -1.7610 -1.7610 4.5128 4.5128 5.8635 5.8635 7.0360 7.0360 8.8276 8.8276 10.0816 10.0816 10.6618 10.6618 16.9428 16.9428 19.3368 19.3368 20.6835 20.6835 21.3224 21.3224 k = 0.3615-0.5747-0.3502 ( 1747 PWs) bands (ev): -62.2031 -62.2031 -29.1634 -29.1634 -28.8911 -28.8911 -28.8539 -28.8539 -4.1275 -4.1275 -1.7541 -1.7541 4.4133 4.4133 5.8322 5.8322 7.0414 7.0414 8.7980 8.7980 10.0096 10.0096 10.6416 10.6416 16.8929 16.8929 19.3329 19.3329 20.7133 20.7133 21.2610 21.2610 k = 0.3692-0.5870-0.3577 ( 1745 PWs) bands (ev): -62.2029 -62.2029 -29.1642 -29.1642 -28.8921 -28.8921 -28.8540 -28.8540 -4.0398 -4.0398 -1.7504 -1.7504 4.3187 4.3187 5.7886 5.7886 7.0639 7.0639 8.7698 8.7698 9.9363 9.9363 10.6223 10.6223 16.8456 16.8456 19.3277 19.3277 20.7401 20.7401 21.2041 21.2041 k = 0.3769-0.5992-0.3651 ( 1739 PWs) bands (ev): -62.2027 -62.2027 -29.1649 -29.1649 -28.8930 -28.8930 -28.8540 -28.8540 -3.9518 -3.9518 -1.7503 -1.7503 4.2293 4.2293 5.7352 5.7352 7.1009 7.1009 8.7431 8.7431 9.8617 9.8617 10.6038 10.6038 16.8008 16.8008 19.3216 19.3216 20.7619 20.7619 21.1536 21.1536 k = 0.3846-0.6114-0.3726 ( 1741 PWs) bands (ev): -62.2025 -62.2025 -29.1656 -29.1656 -28.8939 -28.8939 -28.8541 -28.8541 -3.8637 -3.8637 -1.7538 -1.7538 4.1455 4.1455 5.6747 5.6747 7.1495 7.1495 8.7179 8.7179 9.7858 9.7858 10.5863 10.5863 16.7587 16.7587 19.3149 19.3149 20.7764 20.7764 21.1118 21.1118 k = 0.3923-0.6237-0.3800 ( 1742 PWs) bands (ev): -62.2024 -62.2024 -29.1663 -29.1663 -28.8948 -28.8948 -28.8541 -28.8541 -3.7758 -3.7758 -1.7612 -1.7612 4.0675 4.0675 5.6099 5.6099 7.2073 7.2073 8.6942 8.6942 9.7087 9.7087 10.5698 10.5698 16.7193 16.7193 19.3078 19.3078 20.7812 20.7812 21.0809 21.0809 k = 0.4000-0.6359-0.3875 ( 1738 PWs) bands (ev): -62.2022 -62.2022 -29.1670 -29.1670 -28.8956 -28.8956 -28.8541 -28.8541 -3.6882 -3.6882 -1.7724 -1.7724 3.9955 3.9955 5.5428 5.5428 7.2720 7.2720 8.6720 8.6720 9.6307 9.6307 10.5543 10.5543 16.6825 16.6825 19.3005 19.3005 20.7750 20.7750 21.0623 21.0623 k = 0.4077-0.6481-0.3950 ( 1739 PWs) bands (ev): -62.2021 -62.2021 -29.1676 -29.1676 -28.8963 -28.8963 -28.8542 -28.8542 -3.6014 -3.6014 -1.7875 -1.7875 3.9297 3.9297 5.4753 5.4753 7.3420 7.3420 8.6514 8.6514 9.5518 9.5518 10.5398 10.5398 16.6484 16.6484 19.2931 19.2931 20.7588 20.7588 21.0549 21.0549 k = 0.4154-0.6603-0.4024 ( 1735 PWs) bands (ev): -62.2019 -62.2019 -29.1681 -29.1681 -28.8970 -28.8970 -28.8542 -28.8542 -3.5156 -3.5156 -1.8065 -1.8065 3.8701 3.8701 5.4088 5.4088 7.4159 7.4159 8.6324 8.6324 9.4722 9.4722 10.5263 10.5263 16.6170 16.6170 19.2858 19.2858 20.7359 20.7359 21.0552 21.0552 k = 0.4231-0.6726-0.4099 ( 1737 PWs) bands (ev): -62.2018 -62.2018 -29.1687 -29.1687 -28.8977 -28.8977 -28.8542 -28.8542 -3.4313 -3.4313 -1.8291 -1.8291 3.8166 3.8166 5.3444 5.3444 7.4926 7.4926 8.6150 8.6150 9.3921 9.3921 10.5139 10.5139 16.5883 16.5883 19.2787 19.2787 20.7098 20.7098 21.0599 21.0599 k = 0.4308-0.6848-0.4173 ( 1738 PWs) bands (ev): -62.2017 -62.2017 -29.1691 -29.1691 -28.8983 -28.8983 -28.8543 -28.8543 -3.3489 -3.3489 -1.8552 -1.8552 3.7692 3.7692 5.2833 5.2833 7.5711 7.5711 8.5992 8.5992 9.3118 9.3118 10.5027 10.5027 16.5623 16.5623 19.2720 19.2720 20.6832 20.6832 21.0664 21.0664 k = 0.4385-0.6970-0.4248 ( 1730 PWs) bands (ev): -62.2016 -62.2016 -29.1695 -29.1695 -28.8988 -28.8988 -28.8543 -28.8543 -3.2690 -3.2690 -1.8843 -1.8843 3.7278 3.7278 5.2263 5.2263 7.6506 7.6506 8.5850 8.5850 9.2318 9.2318 10.4926 10.4926 16.5391 16.5391 19.2656 19.2656 20.6578 20.6578 21.0732 21.0732 k = 0.4462-0.7093-0.4322 ( 1729 PWs) bands (ev): -62.2015 -62.2015 -29.1699 -29.1699 -28.8992 -28.8992 -28.8543 -28.8543 -3.1924 -3.1924 -1.9158 -1.9158 3.6921 3.6921 5.1741 5.1741 7.7301 7.7301 8.5725 8.5725 9.1524 9.1524 10.4836 10.4836 16.5185 16.5185 19.2597 19.2597 20.6345 20.6345 21.0794 21.0794 k = 0.4538-0.7215-0.4397 ( 1729 PWs) bands (ev): -62.2014 -62.2014 -29.1703 -29.1703 -28.8996 -28.8996 -28.8543 -28.8543 -3.1200 -3.1200 -1.9488 -1.9488 3.6619 3.6619 5.1274 5.1274 7.8086 7.8086 8.5616 8.5616 9.0744 9.0744 10.4758 10.4758 16.5007 16.5007 19.2544 19.2544 20.6138 20.6138 21.0846 21.0846 k = 0.4615-0.7337-0.4471 ( 1727 PWs) bands (ev): -62.2013 -62.2013 -29.1706 -29.1706 -28.9000 -28.9000 -28.8543 -28.8543 -3.0532 -3.0532 -1.9823 -1.9823 3.6370 3.6370 5.0868 5.0868 7.8848 7.8848 8.5524 8.5524 8.9991 8.9991 10.4693 10.4693 16.4857 16.4857 19.2498 19.2498 20.5961 20.5961 21.0888 21.0888 k = 0.4692-0.7459-0.4546 ( 1723 PWs) bands (ev): -62.2012 -62.2012 -29.1708 -29.1708 -28.9002 -28.9002 -28.8543 -28.8543 -2.9935 -2.9935 -2.0146 -2.0146 3.6171 3.6171 5.0528 5.0528 7.9568 7.9568 8.5449 8.5449 8.9280 8.9280 10.4638 10.4638 16.4734 16.4734 19.2459 19.2459 20.5816 20.5816 21.0919 21.0919 k = 0.4769-0.7582-0.4620 ( 1721 PWs) bands (ev): -62.2012 -62.2012 -29.1710 -29.1710 -28.9005 -28.9005 -28.8543 -28.8543 -2.9429 -2.9429 -2.0438 -2.0438 3.6019 3.6019 5.0259 5.0259 8.0217 8.0217 8.5390 8.5390 8.8639 8.8639 10.4596 10.4596 16.4638 16.4638 19.2427 19.2427 20.5703 20.5703 21.0941 21.0941 k = 0.4846-0.7704-0.4695 ( 1721 PWs) bands (ev): -62.2012 -62.2012 -29.1711 -29.1711 -28.9006 -28.9006 -28.8543 -28.8543 -2.9040 -2.9040 -2.0675 -2.0675 3.5912 3.5912 5.0064 5.0064 8.0754 8.0754 8.5348 8.5348 8.8108 8.8108 10.4565 10.4565 16.4569 16.4569 19.2405 19.2405 20.5622 20.5622 21.0956 21.0956 k = 0.4923-0.7826-0.4769 ( 1717 PWs) bands (ev): -62.2011 -62.2011 -29.1712 -29.1712 -28.9007 -28.9007 -28.8543 -28.8543 -2.8792 -2.8792 -2.0831 -2.0831 3.5849 3.5849 4.9946 4.9946 8.1118 8.1118 8.5323 8.5323 8.7748 8.7748 10.4547 10.4547 16.4528 16.4528 19.2391 19.2391 20.5574 20.5574 21.0965 21.0965 k = 0.5000-0.7949-0.4844 ( 1714 PWs) bands (ev): -62.2011 -62.2011 -29.1712 -29.1712 -28.9007 -28.9007 -28.8543 -28.8543 -2.8707 -2.8707 -2.0885 -2.0885 3.5828 3.5828 4.9906 4.9906 8.1249 8.1249 8.5315 8.5315 8.7619 8.7619 10.4541 10.4541 16.4515 16.4515 19.2386 19.2386 20.5558 20.5558 21.0967 21.0967 k = 0.5000-0.7949-0.4844 ( 1714 PWs) bands (ev): -62.2011 -62.2011 -29.1712 -29.1712 -28.9007 -28.9007 -28.8543 -28.8543 -2.8707 -2.8707 -2.0885 -2.0885 3.5828 3.5828 4.9906 4.9906 8.1249 8.1249 8.5315 8.5315 8.7619 8.7619 10.4541 10.4541 16.4515 16.4515 19.2386 19.2386 20.5558 20.5558 21.0967 21.0967 k = 0.5000-0.7866-0.4980 ( 1716 PWs) bands (ev): -62.2011 -62.2011 -29.1712 -29.1712 -28.9007 -28.9007 -28.8543 -28.8543 -2.8700 -2.8700 -2.0880 -2.0880 3.5833 3.5833 4.9917 4.9917 8.1242 8.1242 8.5073 8.5073 8.7814 8.7814 10.4502 10.4502 16.4579 16.4579 19.2452 19.2452 20.5542 20.5542 21.0977 21.0977 k = 0.5000-0.7783-0.5116 ( 1726 PWs) bands (ev): -62.2011 -62.2011 -29.1712 -29.1712 -28.9007 -28.9007 -28.8544 -28.8544 -2.8676 -2.8676 -2.0866 -2.0866 3.5849 3.5849 4.9947 4.9947 8.1223 8.1223 8.4495 8.4495 8.8255 8.8255 10.4385 10.4385 16.4771 16.4771 19.2647 19.2647 20.5490 20.5490 21.1004 21.1004 k = 0.5000-0.7700-0.5252 ( 1726 PWs) bands (ev): -62.2011 -62.2011 -29.1712 -29.1712 -28.9007 -28.9007 -28.8545 -28.8545 -2.8638 -2.8638 -2.0842 -2.0842 3.5875 3.5875 4.9999 4.9999 8.1189 8.1189 8.3752 8.3752 8.8773 8.8773 10.4193 10.4193 16.5089 16.5089 19.2971 19.2971 20.5407 20.5407 21.1051 21.1051 k = 0.5000-0.7617-0.5389 ( 1726 PWs) bands (ev): -62.2011 -62.2011 -29.1712 -29.1712 -28.9007 -28.9007 -28.8547 -28.8547 -2.8584 -2.8584 -2.0809 -2.0809 3.5911 3.5911 5.0070 5.0070 8.1140 8.1140 8.2915 8.2915 8.9299 8.9299 10.3930 10.3930 16.5527 16.5527 19.3421 19.3421 20.5292 20.5292 21.1117 21.1117 k = 0.5000-0.7533-0.5525 ( 1728 PWs) bands (ev): -62.2011 -62.2011 -29.1712 -29.1712 -28.9007 -28.9007 -28.8549 -28.8549 -2.8515 -2.8515 -2.0767 -2.0767 3.5957 3.5957 5.0163 5.0163 8.1074 8.1074 8.2013 8.2013 8.9811 8.9811 10.3601 10.3601 16.6080 16.6080 19.3991 19.3991 20.5148 20.5148 21.1201 21.1201 k = 0.5000-0.7450-0.5661 ( 1726 PWs) bands (ev): -62.2011 -62.2011 -29.1712 -29.1712 -28.9006 -28.9006 -28.8551 -28.8551 -2.8431 -2.8431 -2.0716 -2.0716 3.6012 3.6012 5.0275 5.0275 8.0961 8.0961 8.1085 8.1085 9.0300 9.0300 10.3213 10.3213 16.6740 16.6740 19.4679 19.4679 20.4976 20.4976 21.1304 21.1304 k = 0.5000-0.7367-0.5797 ( 1726 PWs) bands (ev): -62.2011 -62.2011 -29.1712 -29.1712 -28.9006 -28.9006 -28.8554 -28.8554 -2.8332 -2.8332 -2.0657 -2.0657 3.6076 3.6076 5.0408 5.0408 8.0047 8.0047 8.0893 8.0893 9.0764 9.0764 10.2772 10.2772 16.7497 16.7497 19.5477 19.5477 20.4780 20.4780 21.1425 21.1425 k = 0.5000-0.7284-0.5934 ( 1724 PWs) bands (ev): -62.2010 -62.2010 -29.1712 -29.1712 -28.9006 -28.9006 -28.8557 -28.8557 -2.8218 -2.8218 -2.0589 -2.0589 3.6149 3.6149 5.0561 5.0561 7.9009 7.9009 8.0762 8.0762 9.1203 9.1203 10.2287 10.2287 16.8341 16.8341 19.6380 19.6380 20.4565 20.4565 21.1565 21.1565 k = 0.5000-0.7201-0.6070 ( 1724 PWs) bands (ev): -62.2010 -62.2010 -29.1712 -29.1712 -28.9005 -28.9005 -28.8561 -28.8561 -2.8089 -2.8089 -2.0514 -2.0514 3.6228 3.6228 5.0734 5.0734 7.7937 7.7937 8.0604 8.0604 9.1620 9.1620 10.1768 10.1768 16.9259 16.9259 19.7380 19.7380 20.4335 20.4335 21.1724 21.1724 k = 0.5000-0.7118-0.6206 ( 1726 PWs) bands (ev): -62.2010 -62.2010 -29.1713 -29.1713 -28.9005 -28.9005 -28.8564 -28.8564 -2.7946 -2.7946 -2.0431 -2.0431 3.6315 3.6315 5.0926 5.0926 7.6839 7.6839 8.0414 8.0414 9.2015 9.2015 10.1224 10.1224 17.0240 17.0240 19.8470 19.8470 20.4097 20.4097 21.1901 21.1901 k = 0.5000-0.7035-0.6342 ( 1736 PWs) bands (ev): -62.2009 -62.2009 -29.1713 -29.1713 -28.9005 -28.9005 -28.8569 -28.8569 -2.7788 -2.7788 -2.0343 -2.0343 3.6406 3.6406 5.1138 5.1138 7.5721 7.5721 8.0188 8.0188 9.2391 9.2391 10.0666 10.0666 17.1266 17.1266 19.9642 19.9642 20.3859 20.3859 21.2097 21.2097 k = 0.5000-0.6952-0.6479 ( 1738 PWs) bands (ev): -62.2009 -62.2009 -29.1713 -29.1713 -28.9004 -28.9004 -28.8573 -28.8573 -2.7617 -2.7617 -2.0248 -2.0248 3.6502 3.6502 5.1369 5.1369 7.4588 7.4588 7.9921 7.9921 9.2750 9.2750 10.0105 10.0105 17.2323 17.2323 20.0887 20.0887 20.3632 20.3632 21.2313 21.2313 k = 0.5000-0.6869-0.6615 ( 1740 PWs) bands (ev): -62.2008 -62.2008 -29.1714 -29.1714 -28.9004 -28.9004 -28.8578 -28.8578 -2.7432 -2.7432 -2.0148 -2.0148 3.6601 3.6601 5.1619 5.1619 7.3448 7.3448 7.9609 7.9609 9.3095 9.3095 9.9551 9.9551 17.3391 17.3391 20.2196 20.2196 20.3426 20.3426 21.2550 21.2550 k = 0.5000-0.6786-0.6751 ( 1740 PWs) bands (ev): -62.2008 -62.2008 -29.1714 -29.1714 -28.9003 -28.9003 -28.8583 -28.8583 -2.7233 -2.7233 -2.0044 -2.0044 3.6702 3.6702 5.1888 5.1888 7.2305 7.2305 7.9246 7.9246 9.3426 9.3426 9.9014 9.9014 17.4452 17.4452 20.3244 20.3244 20.3570 20.3570 21.2808 21.2808 k = 0.5000-0.6703-0.6887 ( 1744 PWs) bands (ev): -62.2007 -62.2007 -29.1714 -29.1714 -28.9003 -28.9003 -28.8588 -28.8588 -2.7021 -2.7021 -1.9937 -1.9937 3.6802 3.6802 5.2175 5.2175 7.1167 7.1167 7.8830 7.8830 9.3746 9.3746 9.8504 9.8504 17.5485 17.5485 20.3123 20.3123 20.4973 20.4973 21.3092 21.3092 k = 0.5000-0.6620-0.7024 ( 1742 PWs) bands (ev): -62.2007 -62.2007 -29.1714 -29.1714 -28.9003 -28.9003 -28.8593 -28.8593 -2.6797 -2.6797 -1.9828 -1.9828 3.6900 3.6900 5.2480 5.2480 7.0040 7.0040 7.8357 7.8357 9.4056 9.4056 9.8030 9.8030 17.6468 17.6468 20.3061 20.3061 20.6410 20.6410 21.3406 21.3406 k = 0.5000-0.6537-0.7160 ( 1742 PWs) bands (ev): -62.2006 -62.2006 -29.1715 -29.1715 -28.9002 -28.9002 -28.8598 -28.8598 -2.6560 -2.6560 -1.9717 -1.9717 3.6993 3.6993 5.2801 5.2801 6.8931 6.8931 7.7826 7.7826 9.4357 9.4357 9.7598 9.7598 17.7377 17.7377 20.3077 20.3077 20.7858 20.7858 21.3761 21.3761 k = 0.5000-0.6454-0.7296 ( 1740 PWs) bands (ev): -62.2006 -62.2006 -29.1715 -29.1715 -28.9002 -28.9002 -28.8603 -28.8603 -2.6312 -2.6312 -1.9607 -1.9607 3.7079 3.7079 5.3139 5.3139 6.7847 6.7847 7.7236 7.7236 9.4650 9.4650 9.7213 9.7213 17.8192 17.8192 20.3186 20.3186 20.9288 20.9288 21.4175 21.4175 k = 0.5000-0.6371-0.7432 ( 1740 PWs) bands (ev): -62.2005 -62.2005 -29.1715 -29.1715 -28.9002 -28.9002 -28.8608 -28.8608 -2.6052 -2.6052 -1.9498 -1.9498 3.7156 3.7156 5.3493 5.3493 6.6793 6.6793 7.6590 7.6590 9.4937 9.4937 9.6879 9.6879 17.8894 17.8894 20.3398 20.3398 21.0652 21.0652 21.4687 21.4687 k = 0.5000-0.6288-0.7569 ( 1740 PWs) bands (ev): -62.2005 -62.2005 -29.1716 -29.1716 -28.9001 -28.9001 -28.8613 -28.8613 -2.5781 -2.5781 -1.9392 -1.9392 3.7221 3.7221 5.3860 5.3860 6.5779 6.5779 7.5890 7.5890 9.5217 9.5217 9.6598 9.6598 17.9467 17.9467 20.3721 20.3721 21.1873 21.1873 21.5360 21.5360 k = 0.5000-0.6205-0.7705 ( 1738 PWs) bands (ev): -62.2004 -62.2004 -29.1716 -29.1716 -28.9001 -28.9001 -28.8618 -28.8618 -2.5500 -2.5500 -1.9290 -1.9290 3.7271 3.7271 5.4240 5.4240 6.4809 6.4809 7.5141 7.5141 9.5491 9.5491 9.6369 9.6369 17.9902 17.9902 20.4155 20.4155 21.2862 21.2862 21.6263 21.6263 k = 0.5000-0.6122-0.7841 ( 1736 PWs) bands (ev): -62.2004 -62.2004 -29.1716 -29.1716 -28.9001 -28.9001 -28.8623 -28.8623 -2.5210 -2.5210 -1.9195 -1.9195 3.7302 3.7302 5.4632 5.4632 6.3892 6.3892 7.4350 7.4350 9.5759 9.5759 9.6192 9.6192 18.0198 18.0198 20.4692 20.4692 21.3597 21.3597 21.7385 21.7385 k = 0.5000-0.6039-0.7977 ( 1736 PWs) bands (ev): -62.2003 -62.2003 -29.1717 -29.1717 -28.9001 -28.9001 -28.8628 -28.8628 -2.4910 -2.4910 -1.9107 -1.9107 3.7313 3.7313 5.5032 5.5032 6.3034 6.3034 7.3524 7.3524 9.6014 9.6014 9.6072 9.6072 18.0359 18.0359 20.5318 20.5318 21.4135 21.4135 21.8562 21.8562 k = 0.5000-0.5956-0.8114 ( 1740 PWs) bands (ev): -62.2003 -62.2003 -29.1718 -29.1718 -28.9001 -28.9001 -28.8632 -28.8632 -2.4603 -2.4603 -1.9029 -1.9029 3.7301 3.7301 5.5437 5.5437 6.2241 6.2241 7.2671 7.2671 9.5979 9.5979 9.6281 9.6281 18.0395 18.0395 20.6011 20.6011 21.4531 21.4531 21.9238 21.9238 k = 0.5000-0.5873-0.8250 ( 1740 PWs) bands (ev): -62.2002 -62.2002 -29.1718 -29.1718 -28.9001 -28.9001 -28.8637 -28.8637 -2.4287 -2.4287 -1.8962 -1.8962 3.7263 3.7263 5.5844 5.5844 6.1519 6.1519 7.1803 7.1803 9.5940 9.5940 9.6532 9.6532 18.0319 18.0319 20.6749 20.6749 21.4786 21.4786 21.8726 21.8726 k = 0.5000-0.5790-0.8386 ( 1738 PWs) bands (ev): -62.2001 -62.2001 -29.1719 -29.1719 -28.9001 -28.9001 -28.8641 -28.8641 -2.3965 -2.3965 -1.8909 -1.8909 3.7198 3.7198 5.6247 5.6247 6.0874 6.0874 7.0931 7.0931 9.5940 9.5940 9.6777 9.6777 18.0148 18.0148 20.7504 20.7504 21.4809 21.4809 21.7909 21.7909 k = 0.5000-0.5707-0.8522 ( 1738 PWs) bands (ev): -62.2001 -62.2001 -29.1719 -29.1719 -28.9002 -28.9002 -28.8644 -28.8644 -2.3638 -2.3638 -1.8872 -1.8872 3.7106 3.7106 5.6639 5.6639 6.0309 6.0309 7.0069 7.0069 9.5973 9.5973 9.7016 9.7016 17.9897 17.9897 20.8253 20.8253 21.4407 21.4407 21.7392 21.7392 k = 0.5000-0.5624-0.8659 ( 1738 PWs) bands (ev): -62.2001 -62.2001 -29.1720 -29.1720 -28.9002 -28.9002 -28.8648 -28.8648 -2.3305 -2.3305 -1.8852 -1.8852 3.6987 3.6987 5.7008 5.7008 5.9827 5.9827 6.9232 6.9232 9.6038 9.6038 9.7248 9.7248 17.9583 17.9583 20.8970 20.8970 21.3548 21.3548 21.7293 21.7293 k = 0.5000-0.5541-0.8795 ( 1744 PWs) bands (ev): -62.2000 -62.2000 -29.1721 -29.1721 -28.9003 -28.9003 -28.8651 -28.8651 -2.2969 -2.2969 -1.8853 -1.8853 3.6842 3.6842 5.7341 5.7341 5.9431 5.9431 6.8440 6.8440 9.6130 9.6130 9.7473 9.7473 17.9218 17.9218 20.9636 20.9636 21.2436 21.2436 21.7429 21.7429 k = 0.5000-0.5458-0.8931 ( 1738 PWs) bands (ev): -62.2000 -62.2000 -29.1721 -29.1721 -28.9003 -28.9003 -28.8654 -28.8654 -2.2629 -2.2629 -1.8877 -1.8877 3.6676 3.6676 5.7618 5.7618 5.9120 5.9120 6.7719 6.7719 9.6246 9.6246 9.7690 9.7690 17.8817 17.8817 21.0236 21.0236 21.1225 21.1225 21.7662 21.7662 k = 0.5000-0.5375-0.9067 ( 1742 PWs) bands (ev): -62.1999 -62.1999 -29.1722 -29.1722 -28.9003 -28.9003 -28.8656 -28.8656 -2.2288 -2.2288 -1.8924 -1.8924 3.6491 3.6491 5.7812 5.7812 5.8893 5.8893 6.7099 6.7099 9.6383 9.6383 9.7897 9.7897 17.8391 17.8391 20.9974 20.9974 21.0761 21.0761 21.7929 21.7929 k = 0.5000-0.5292-0.9204 ( 1746 PWs) bands (ev): -62.1999 -62.1999 -29.1722 -29.1722 -28.9004 -28.9004 -28.8659 -28.8659 -2.1947 -2.1947 -1.8999 -1.8999 3.6293 3.6293 5.7896 5.7896 5.8749 5.8749 6.6613 6.6613 9.6537 9.6537 9.8096 9.8096 17.7949 17.7949 20.8717 20.8717 21.1197 21.1197 21.8207 21.8207 k = 0.5000-0.5209-0.9340 ( 1744 PWs) bands (ev): -62.1999 -62.1999 -29.1723 -29.1723 -28.9004 -28.9004 -28.8660 -28.8660 -2.1607 -2.1607 -1.9103 -1.9103 3.6088 3.6088 5.7842 5.7842 5.8683 5.8683 6.6292 6.6292 9.6705 9.6705 9.8284 9.8284 17.7500 17.7500 20.7466 20.7466 21.1545 21.1545 21.8483 21.8483 k = 0.5000-0.5126-0.9476 ( 1744 PWs) bands (ev): -62.1999 -62.1999 -29.1723 -29.1723 -28.9005 -28.9005 -28.8662 -28.8662 -2.1268 -2.1268 -1.9238 -1.9238 3.5884 3.5884 5.7637 5.7637 5.8692 5.8692 6.6155 6.6155 9.6886 9.6886 9.8462 9.8462 17.7053 17.7053 20.6229 20.6229 21.1804 21.1804 21.8749 21.8749 k = 0.5000-0.5043-0.9612 ( 1748 PWs) bands (ev): -62.1998 -62.1998 -29.1723 -29.1723 -28.9005 -28.9005 -28.8663 -28.8663 -2.0934 -2.0934 -1.9406 -1.9406 3.5686 3.5686 5.7284 5.7284 5.8771 5.8771 6.6200 6.6200 9.7076 9.7076 9.8628 9.8628 17.6614 17.6614 20.5010 20.5010 21.1974 21.1974 21.8999 21.8999 k = 0.5000-0.4960-0.9749 ( 1740 PWs) bands (ev): -62.1998 -62.1998 -29.1723 -29.1723 -28.9005 -28.9005 -28.8663 -28.8663 -2.0604 -2.0604 -1.9608 -1.9608 3.5503 3.5503 5.6809 5.6809 5.8915 5.8915 6.6407 6.6407 9.7274 9.7274 9.8781 9.8781 17.6188 17.6188 20.3817 20.3817 21.2060 21.2060 21.9230 21.9230 k = 0.5000-0.4877-0.9885 ( 1736 PWs) bands (ev): -62.1998 -62.1998 -29.1723 -29.1723 -28.9005 -28.9005 -28.8664 -28.8664 -2.0281 -2.0281 -1.9846 -1.9846 3.5340 3.5340 5.6243 5.6243 5.9118 5.9118 6.6747 6.6747 9.7477 9.7477 9.8922 9.8922 17.5782 17.5782 20.2649 20.2649 21.2067 21.2067 21.9435 21.9435 k = 0.5000-0.4794-1.0021 ( 1736 PWs) bands (ev): -62.1998 -62.1998 -29.1723 -29.1723 -28.9005 -28.9005 -28.8664 -28.8664 -2.0123 -2.0123 -1.9965 -1.9965 3.5204 3.5204 5.5616 5.5616 5.9376 5.9376 6.7192 6.7192 9.7682 9.7682 9.9049 9.9049 17.5399 17.5399 20.1510 20.1510 21.1999 21.1999 21.9613 21.9613 k = 0.5000-0.4711-1.0157 ( 1734 PWs) bands (ev): -62.1998 -62.1998 -29.1723 -29.1723 -28.9005 -28.9005 -28.8664 -28.8664 -2.0436 -2.0436 -1.9661 -1.9661 3.5101 3.5101 5.4955 5.4955 5.9685 5.9685 6.7719 6.7719 9.7888 9.7888 9.9161 9.9161 17.5043 17.5043 20.0403 20.0403 21.1863 21.1863 21.9760 21.9760 k = 0.5000-0.4628-1.0294 ( 1736 PWs) bands (ev): -62.1998 -62.1998 -29.1723 -29.1723 -28.9005 -28.9005 -28.8663 -28.8663 -2.0788 -2.0788 -1.9368 -1.9368 3.5036 3.5036 5.4281 5.4281 6.0038 6.0038 6.8310 6.8310 9.8093 9.8093 9.9257 9.9257 17.4718 17.4718 19.9329 19.9329 21.1665 21.1665 21.9873 21.9873 k = 0.5000-0.4545-1.0430 ( 1736 PWs) bands (ev): -62.1998 -62.1998 -29.1723 -29.1723 -28.9004 -28.9004 -28.8662 -28.8662 -2.1179 -2.1179 -1.9088 -1.9088 3.5012 3.5012 5.3609 5.3609 6.0432 6.0432 6.8953 6.8953 9.8295 9.8295 9.9339 9.9339 17.4428 17.4428 19.8290 19.8290 21.1411 21.1411 21.9950 21.9950 k = 0.5000-0.4462-1.0566 ( 1738 PWs) bands (ev): -62.1999 -62.1999 -29.1722 -29.1722 -28.9004 -28.9004 -28.8661 -28.8661 -2.1608 -2.1608 -1.8823 -1.8823 3.5034 3.5034 5.2952 5.2952 6.0863 6.0863 6.9637 6.9637 9.8492 9.8492 9.9405 9.9405 17.4175 17.4175 19.7288 19.7288 21.1107 21.1107 21.9990 21.9990 k = 0.8143-0.3555-0.8809 ( 1738 PWs) bands (ev): -62.1999 -62.1999 -29.1722 -29.1722 -28.9004 -28.9004 -28.8661 -28.8661 -2.1608 -2.1608 -1.8823 -1.8823 3.5034 3.5034 5.2952 5.2952 6.0863 6.0863 6.9637 6.9637 9.8492 9.8492 9.9405 9.9405 17.4175 17.4175 19.7288 19.7288 21.1107 21.1107 21.9990 21.9990 k = 0.8098-0.3484-0.8670 ( 1734 PWs) bands (ev): -62.1999 -62.1999 -29.1721 -29.1721 -28.9003 -28.9003 -28.8660 -28.8660 -2.2083 -2.2083 -1.8571 -1.8571 3.5107 3.5107 5.2308 5.2308 6.1334 6.1334 7.0368 7.0368 9.8686 9.8686 9.9455 9.9455 17.3958 17.3958 19.6311 19.6311 21.0754 21.0754 21.9992 21.9992 k = 0.8053-0.3412-0.8532 ( 1732 PWs) bands (ev): -62.1999 -62.1999 -29.1720 -29.1720 -28.9001 -28.9001 -28.8658 -28.8658 -2.2596 -2.2596 -1.8339 -1.8339 3.5231 3.5231 5.1697 5.1697 6.1836 6.1836 7.1129 7.1129 9.8872 9.8872 9.9489 9.9489 17.3784 17.3784 19.5374 19.5374 21.0362 21.0362 21.9954 21.9954 k = 0.8009-0.3341-0.8394 ( 1734 PWs) bands (ev): -62.2000 -62.2000 -29.1719 -29.1719 -28.9000 -28.9000 -28.8656 -28.8656 -2.3147 -2.3147 -1.8128 -1.8128 3.5410 3.5410 5.1124 5.1124 6.2365 6.2365 7.1916 7.1916 9.9047 9.9047 9.9507 9.9507 17.3654 17.3654 19.4479 19.4479 20.9937 20.9937 21.9879 21.9879 k = 0.7964-0.3270-0.8255 ( 1734 PWs) bands (ev): -62.2000 -62.2000 -29.1718 -29.1718 -28.8998 -28.8998 -28.8654 -28.8654 -2.3733 -2.3733 -1.7940 -1.7940 3.5642 3.5642 5.0594 5.0594 6.2918 6.2918 7.2726 7.2726 9.9211 9.9211 9.9508 9.9508 17.3571 17.3571 19.3628 19.3628 20.9485 20.9485 21.9768 21.9768 k = 0.7919-0.3198-0.8117 ( 1736 PWs) bands (ev): -62.2001 -62.2001 -29.1716 -29.1716 -28.8995 -28.8995 -28.8652 -28.8652 -2.4352 -2.4352 -1.7777 -1.7777 3.5930 3.5930 5.0114 5.0114 6.3492 6.3492 7.3557 7.3557 9.9361 9.9361 9.9496 9.9496 17.3534 17.3534 19.2822 19.2822 20.9010 20.9010 21.9623 21.9623 k = 0.7874-0.3127-0.7978 ( 1736 PWs) bands (ev): -62.2002 -62.2002 -29.1714 -29.1714 -28.8993 -28.8993 -28.8650 -28.8650 -2.5004 -2.5004 -1.7640 -1.7640 3.6273 3.6273 4.9684 4.9684 6.4083 6.4083 7.4406 7.4406 9.9454 9.9454 9.9511 9.9511 17.3546 17.3546 19.2061 19.2061 20.8518 20.8518 21.9449 21.9449 k = 0.7829-0.3055-0.7840 ( 1732 PWs) bands (ev): -62.2003 -62.2003 -29.1712 -29.1712 -28.8989 -28.8989 -28.8647 -28.8647 -2.5686 -2.5686 -1.7530 -1.7530 3.6669 3.6669 4.9310 4.9310 6.4690 6.4690 7.5272 7.5272 9.9417 9.9417 9.9627 9.9627 17.3605 17.3605 19.1347 19.1347 20.8014 20.8014 21.9249 21.9249 k = 0.7784-0.2984-0.7702 ( 1730 PWs) bands (ev): -62.2004 -62.2004 -29.1709 -29.1709 -28.8986 -28.8986 -28.8645 -28.8645 -2.6394 -2.6394 -1.7450 -1.7450 3.7120 3.7120 4.8994 4.8994 6.5310 6.5310 7.6152 7.6152 9.9362 9.9362 9.9732 9.9732 17.3713 17.3713 19.0680 19.0680 20.7503 20.7503 21.9028 21.9028 k = 0.7739-0.2913-0.7563 ( 1732 PWs) bands (ev): -62.2005 -62.2005 -29.1706 -29.1706 -28.8982 -28.8982 -28.8642 -28.8642 -2.7128 -2.7128 -1.7400 -1.7400 3.7622 3.7622 4.8738 4.8738 6.5940 6.5940 7.7046 7.7046 9.9294 9.9294 9.9821 9.9821 17.3868 17.3868 19.0060 19.0060 20.6988 20.6988 21.8790 21.8790 k = 0.7694-0.2841-0.7425 ( 1736 PWs) bands (ev): -62.2006 -62.2006 -29.1703 -29.1703 -28.8978 -28.8978 -28.8639 -28.8639 -2.7885 -2.7885 -1.7380 -1.7380 3.8174 3.8174 4.8544 4.8544 6.6577 6.6577 7.7951 7.7951 9.9217 9.9217 9.9892 9.9892 17.4071 17.4071 18.9487 18.9487 20.6474 20.6474 21.8538 21.8538 k = 0.7649-0.2770-0.7287 ( 1736 PWs) bands (ev): -62.2007 -62.2007 -29.1699 -29.1699 -28.8973 -28.8973 -28.8636 -28.8636 -2.8661 -2.8661 -1.7393 -1.7393 3.8776 3.8776 4.8414 4.8414 6.7219 6.7219 7.8867 7.8867 9.9131 9.9131 9.9944 9.9944 17.4320 17.4320 18.8963 18.8963 20.5966 20.5966 21.8279 21.8279 k = 0.7604-0.2698-0.7148 ( 1736 PWs) bands (ev): -62.2008 -62.2008 -29.1696 -29.1696 -28.8968 -28.8968 -28.8633 -28.8633 -2.9456 -2.9456 -1.7437 -1.7437 3.9424 3.9424 4.8348 4.8348 6.7863 6.7863 7.9792 7.9792 9.9040 9.9040 9.9977 9.9977 17.4615 17.4615 18.8487 18.8487 20.5467 20.5467 21.8016 21.8016 k = 0.7560-0.2627-0.7010 ( 1734 PWs) bands (ev): -62.2010 -62.2010 -29.1691 -29.1691 -28.8963 -28.8963 -28.8630 -28.8630 -3.0266 -3.0266 -1.7514 -1.7514 4.0118 4.0118 4.8347 4.8347 6.8508 6.8508 8.0726 8.0726 9.8944 9.8944 9.9990 9.9990 17.4954 17.4954 18.8058 18.8058 20.4982 20.4982 21.7753 21.7753 k = 0.7515-0.2556-0.6871 ( 1742 PWs) bands (ev): -62.2011 -62.2011 -29.1687 -29.1687 -28.8957 -28.8957 -28.8627 -28.8627 -3.1089 -3.1089 -1.7623 -1.7623 4.0855 4.0855 4.8411 4.8411 6.9149 6.9149 8.1666 8.1666 9.8847 9.8847 9.9982 9.9982 17.5333 17.5333 18.7677 18.7677 20.4513 20.4513 21.7495 21.7495 k = 0.7470-0.2484-0.6733 ( 1742 PWs) bands (ev): -62.2013 -62.2013 -29.1682 -29.1682 -28.8951 -28.8951 -28.8624 -28.8624 -3.1924 -3.1924 -1.7764 -1.7764 4.1633 4.1633 4.8541 4.8541 6.9786 6.9786 8.2613 8.2613 9.8752 9.8752 9.9955 9.9955 17.5753 17.5753 18.7343 18.7343 20.4066 20.4066 21.7243 21.7243 k = 0.7425-0.2413-0.6595 ( 1740 PWs) bands (ev): -62.2014 -62.2014 -29.1677 -29.1677 -28.8944 -28.8944 -28.8621 -28.8621 -3.2766 -3.2766 -1.7936 -1.7936 4.2450 4.2450 4.8736 4.8736 7.0415 7.0415 8.3564 8.3564 9.8661 9.8661 9.9907 9.9907 17.6210 17.6210 18.7056 18.7056 20.3644 20.3644 21.7001 21.7001 k = 0.7380-0.2342-0.6456 ( 1744 PWs) bands (ev): -62.2016 -62.2016 -29.1671 -29.1671 -28.8937 -28.8937 -28.8617 -28.8617 -3.3616 -3.3616 -1.8138 -1.8138 4.3303 4.3303 4.8995 4.8995 7.1034 7.1034 8.4518 8.4518 9.8576 9.8576 9.9839 9.9839 17.6700 17.6700 18.6814 18.6814 20.3251 20.3251 21.6770 21.6770 k = 0.7335-0.2270-0.6318 ( 1742 PWs) bands (ev): -62.2018 -62.2018 -29.1665 -29.1665 -28.8929 -28.8929 -28.8614 -28.8614 -3.4471 -3.4471 -1.8369 -1.8369 4.4191 4.4191 4.9317 4.9317 7.1640 7.1640 8.5475 8.5475 9.8503 9.8503 9.9751 9.9751 17.7221 17.7221 18.6617 18.6617 20.2893 20.2893 21.6553 21.6553 k = 0.7290-0.2199-0.6179 ( 1740 PWs) bands (ev): -62.2020 -62.2020 -29.1659 -29.1659 -28.8921 -28.8921 -28.8610 -28.8610 -3.5328 -3.5328 -1.8629 -1.8629 4.5112 4.5112 4.9702 4.9702 7.2230 7.2230 8.6433 8.6433 9.8442 9.8442 9.9645 9.9645 17.7769 17.7769 18.6464 18.6464 20.2572 20.2572 21.6350 21.6350 k = 0.7245-0.2127-0.6041 ( 1742 PWs) bands (ev): -62.2022 -62.2022 -29.1653 -29.1653 -28.8913 -28.8913 -28.8607 -28.8607 -3.6187 -3.6187 -1.8915 -1.8915 4.6062 4.6062 5.0147 5.0147 7.2803 7.2803 8.7391 8.7391 9.8398 9.8398 9.9519 9.9519 17.8339 17.8339 18.6354 18.6354 20.2294 20.2294 21.6159 21.6159 k = 0.7200-0.2056-0.5903 ( 1742 PWs) bands (ev): -62.2024 -62.2024 -29.1646 -29.1646 -28.8904 -28.8904 -28.8603 -28.8603 -3.7045 -3.7045 -1.9226 -1.9226 4.7040 4.7040 5.0651 5.0651 7.3356 7.3356 8.8347 8.8347 9.8374 9.8374 9.9376 9.9376 17.8927 17.8927 18.6285 18.6285 20.2064 20.2064 21.5979 21.5979 k = 0.7155-0.1985-0.5764 ( 1748 PWs) bands (ev): -62.2026 -62.2026 -29.1639 -29.1639 -28.8895 -28.8895 -28.8600 -28.8600 -3.7901 -3.7901 -1.9560 -1.9560 4.8042 4.8042 5.1211 5.1211 7.3886 7.3886 8.9301 8.9301 9.8373 9.8373 9.9215 9.9215 17.9528 17.9528 18.6256 18.6256 20.1885 20.1885 21.5804 21.5804 k = 0.7110-0.1913-0.5626 ( 1748 PWs) bands (ev): -62.2028 -62.2028 -29.1632 -29.1632 -28.8886 -28.8886 -28.8596 -28.8596 -3.8754 -3.8754 -1.9916 -1.9916 4.9067 4.9067 5.1826 5.1826 7.4394 7.4394 9.0250 9.0250 9.8396 9.8396 9.9040 9.9040 18.0136 18.0136 18.6267 18.6267 20.1766 20.1766 21.5628 21.5628 k = 0.7066-0.1842-0.5487 ( 1750 PWs) bands (ev): -62.2030 -62.2030 -29.1624 -29.1624 -28.8876 -28.8876 -28.8592 -28.8592 -3.9602 -3.9602 -2.0292 -2.0292 5.0110 5.0110 5.2494 5.2494 7.4878 7.4878 9.1195 9.1195 9.8447 9.8447 9.8849 9.8849 18.0746 18.0746 18.6315 18.6315 20.1709 20.1709 21.5440 21.5440 k = 0.7021-0.1770-0.5349 ( 1748 PWs) bands (ev): -62.2033 -62.2033 -29.1616 -29.1616 -28.8866 -28.8866 -28.8588 -28.8588 -4.0444 -4.0444 -2.0685 -2.0685 5.1170 5.1170 5.3213 5.3213 7.5337 7.5337 9.2132 9.2132 9.8525 9.8525 9.8648 9.8648 18.1352 18.1352 18.6400 18.6400 20.1721 20.1721 21.5225 21.5225 k = 0.6976-0.1699-0.5211 ( 1748 PWs) bands (ev): -62.2035 -62.2035 -29.1608 -29.1608 -28.8856 -28.8856 -28.8585 -28.8585 -4.1278 -4.1278 -2.1094 -2.1094 5.2243 5.2243 5.3979 5.3979 7.5772 7.5772 9.3061 9.3061 9.8426 9.8426 9.8644 9.8644 18.1947 18.1947 18.6520 18.6520 20.1806 20.1806 21.4965 21.4965 k = 0.6931-0.1628-0.5072 ( 1750 PWs) bands (ev): -62.2037 -62.2037 -29.1600 -29.1600 -28.8845 -28.8845 -28.8581 -28.8581 -4.2104 -4.2104 -2.1517 -2.1517 5.3324 5.3324 5.4790 5.4790 7.6184 7.6184 9.3981 9.3981 9.8201 9.8201 9.8787 9.8787 18.2526 18.2526 18.6674 18.6674 20.1970 20.1970 21.4639 21.4639 k = 0.6886-0.1556-0.4934 ( 1752 PWs) bands (ev): -62.2040 -62.2040 -29.1592 -29.1592 -28.8835 -28.8835 -28.8577 -28.8577 -4.2921 -4.2921 -2.1952 -2.1952 5.4410 5.4410 5.5644 5.5644 7.6575 7.6575 9.4889 9.4889 9.7967 9.7967 9.8964 9.8964 18.3084 18.3084 18.6861 18.6861 20.2216 20.2216 21.4233 21.4233 k = 0.6841-0.1485-0.4795 ( 1752 PWs) bands (ev): -62.2042 -62.2042 -29.1583 -29.1583 -28.8823 -28.8823 -28.8573 -28.8573 -4.3728 -4.3728 -2.2398 -2.2398 5.5497 5.5497 5.6538 5.6538 7.6949 7.6949 9.5783 9.5783 9.7729 9.7729 9.9174 9.9174 18.3615 18.3615 18.7078 18.7078 20.2546 20.2546 21.3738 21.3738 k = 0.6796-0.1414-0.4657 ( 1752 PWs) bands (ev): -62.2045 -62.2045 -29.1575 -29.1575 -28.8812 -28.8812 -28.8569 -28.8569 -4.4523 -4.4523 -2.2852 -2.2852 5.6578 5.6578 5.7469 5.7469 7.7311 7.7311 9.6651 9.6651 9.7497 9.7497 9.9416 9.9416 18.4117 18.4117 18.7326 18.7326 20.2963 20.2963 21.3159 21.3159 k = 0.6751-0.1342-0.4519 ( 1754 PWs) bands (ev): -62.2048 -62.2048 -29.1566 -29.1566 -28.8801 -28.8801 -28.8565 -28.8565 -4.5307 -4.5307 -2.3313 -2.3313 5.7647 5.7647 5.8434 5.8434 7.7665 7.7665 9.7154 9.7154 9.7612 9.7612 9.9688 9.9688 18.4587 18.4587 18.7603 18.7603 20.3465 20.3465 21.2509 21.2509 k = 0.6706-0.1271-0.4380 ( 1754 PWs) bands (ev): -62.2050 -62.2050 -29.1557 -29.1557 -28.8789 -28.8789 -28.8560 -28.8560 -4.6077 -4.6077 -2.3778 -2.3778 5.8698 5.8698 5.9431 5.9431 7.8021 7.8021 9.6944 9.6944 9.8422 9.8422 9.9989 9.9989 18.5023 18.5023 18.7908 18.7908 20.4049 20.4049 21.1801 21.1801 k = 0.6661-0.1199-0.4242 ( 1756 PWs) bands (ev): -62.2053 -62.2053 -29.1548 -29.1548 -28.8778 -28.8778 -28.8556 -28.8556 -4.6834 -4.6834 -2.4248 -2.4248 5.9724 5.9724 6.0456 6.0456 7.8385 7.8385 9.6697 9.6697 9.9253 9.9253 10.0315 10.0315 18.5427 18.5427 18.8240 18.8240 20.4712 20.4712 21.1049 21.1049 k = 0.6617-0.1128-0.4104 ( 1758 PWs) bands (ev): -62.2055 -62.2055 -29.1539 -29.1539 -28.8767 -28.8767 -28.8551 -28.8551 -4.7576 -4.7576 -2.4719 -2.4719 6.0715 6.0715 6.1506 6.1506 7.8767 7.8767 9.6449 9.6449 10.0069 10.0069 10.0666 10.0666 18.5799 18.5799 18.8597 18.8597 20.5445 20.5445 21.0265 21.0265 k = 0.6572-0.1057-0.3965 ( 1758 PWs) bands (ev): -62.2058 -62.2058 -29.1530 -29.1530 -28.8755 -28.8755 -28.8546 -28.8546 -4.8304 -4.8304 -2.5191 -2.5191 6.1663 6.1663 6.2578 6.2578 7.9178 7.9178 9.6205 9.6205 10.0866 10.0866 10.1037 10.1037 18.6140 18.6140 18.8979 18.8979 20.6240 20.6240 20.9457 20.9457 k = 0.6527-0.0985-0.3827 ( 1758 PWs) bands (ev): -62.2061 -62.2061 -29.1522 -29.1522 -28.8744 -28.8744 -28.8541 -28.8541 -4.9016 -4.9016 -2.5662 -2.5662 6.2558 6.2558 6.3668 6.3668 7.9628 7.9628 9.5969 9.5969 10.1424 10.1424 10.1646 10.1646 18.6454 18.6454 18.9384 18.9384 20.7082 20.7082 20.8632 20.8632 k = 0.6482-0.0914-0.3688 ( 1754 PWs) bands (ev): -62.2063 -62.2063 -29.1513 -29.1513 -28.8732 -28.8732 -28.8536 -28.8536 -4.9712 -4.9712 -2.6130 -2.6130 6.3391 6.3391 6.4772 6.4772 8.0129 8.0129 9.5743 9.5743 10.1827 10.1827 10.2402 10.2402 18.6741 18.6741 18.9811 18.9811 20.7789 20.7789 20.7961 20.7961 k = 0.6437-0.0842-0.3550 ( 1752 PWs) bands (ev): -62.2066 -62.2066 -29.1504 -29.1504 -28.8721 -28.8721 -28.8531 -28.8531 -5.0392 -5.0392 -2.6595 -2.6595 6.4154 6.4154 6.5886 6.5886 8.0689 8.0689 9.5531 9.5531 10.2241 10.2241 10.3136 10.3136 18.7003 18.7003 19.0259 19.0259 20.6946 20.6946 20.8840 20.8840 k = 0.6392-0.0771-0.3412 ( 1750 PWs) bands (ev): -62.2069 -62.2069 -29.1495 -29.1495 -28.8710 -28.8710 -28.8525 -28.8525 -5.1054 -5.1054 -2.7056 -2.7056 6.4838 6.4838 6.7007 6.7007 8.1317 8.1317 9.5335 9.5335 10.2662 10.2662 10.3846 10.3846 18.7242 18.7242 19.0724 19.0724 20.6092 20.6092 20.9700 20.9700 k = 0.6347-0.0700-0.3273 ( 1754 PWs) bands (ev): -62.2072 -62.2072 -29.1486 -29.1486 -28.8700 -28.8700 -28.8519 -28.8519 -5.1699 -5.1699 -2.7510 -2.7510 6.5442 6.5442 6.8127 6.8127 8.2018 8.2018 9.5161 9.5161 10.3089 10.3089 10.4531 10.4531 18.7457 18.7457 19.1205 19.1205 20.5233 20.5233 21.0497 21.0497 k = 0.6302-0.0628-0.3135 ( 1756 PWs) bands (ev): -62.2074 -62.2074 -29.1478 -29.1478 -28.8690 -28.8690 -28.8512 -28.8512 -5.2326 -5.2326 -2.7958 -2.7958 6.5961 6.5961 6.9244 6.9244 8.2794 8.2794 9.5011 9.5011 10.3519 10.3519 10.5191 10.5191 18.7648 18.7648 19.1698 19.1698 20.4373 20.4373 21.1177 21.1177 k = 0.6257-0.0557-0.2996 ( 1758 PWs) bands (ev): -62.2077 -62.2077 -29.1470 -29.1470 -28.8680 -28.8680 -28.8505 -28.8505 -5.2935 -5.2935 -2.8398 -2.8398 6.6399 6.6399 7.0350 7.0350 8.3646 8.3646 9.4892 9.4892 10.3948 10.3948 10.5824 10.5824 18.7813 18.7813 19.2200 19.2200 20.3514 20.3514 21.1686 21.1686 k = 0.6212-0.0486-0.2858 ( 1758 PWs) bands (ev): -62.2079 -62.2079 -29.1461 -29.1461 -28.8671 -28.8671 -28.8498 -28.8498 -5.3525 -5.3525 -2.8830 -2.8830 6.6759 6.6759 7.1439 7.1439 8.4568 8.4568 9.4807 9.4807 10.4375 10.4375 10.6431 10.6431 18.7950 18.7950 19.2703 19.2703 20.2662 20.2662 21.1992 21.1992 k = 0.6168-0.0414-0.2720 ( 1764 PWs) bands (ev): -62.2082 -62.2082 -29.1454 -29.1454 -28.8663 -28.8663 -28.8491 -28.8491 -5.4097 -5.4097 -2.9252 -2.9252 6.7047 6.7047 7.2503 7.2503 8.5555 8.5555 9.4762 9.4762 10.4797 10.4797 10.7010 10.7010 18.8054 18.8054 19.3199 19.3199 20.1823 20.1823 21.2103 21.2103 k = 0.6123-0.0343-0.2581 ( 1768 PWs) bands (ev): -62.2085 -62.2085 -29.1446 -29.1446 -28.8655 -28.8655 -28.8483 -28.8483 -5.4648 -5.4648 -2.9664 -2.9664 6.7270 6.7270 7.3536 7.3536 8.6599 8.6599 9.4763 9.4763 10.5213 10.5213 10.7562 10.7562 18.8121 18.8121 19.3673 19.3673 20.1010 20.1010 21.2064 21.2064 k = 0.6078-0.0271-0.2443 ( 1768 PWs) bands (ev): -62.2087 -62.2087 -29.1438 -29.1438 -28.8647 -28.8647 -28.8474 -28.8474 -5.5181 -5.5181 -3.0064 -3.0064 6.7437 6.7437 7.4529 7.4529 8.7692 8.7692 9.4818 9.4818 10.5621 10.5621 10.8085 10.8085 18.8147 18.8147 19.4098 19.4098 20.0248 20.0248 21.1932 21.1932 k = 0.6033-0.0200-0.2304 ( 1768 PWs) bands (ev): -62.2090 -62.2090 -29.1431 -29.1431 -28.8641 -28.8641 -28.8466 -28.8466 -5.5693 -5.5693 -3.0453 -3.0453 6.7555 6.7555 7.5472 7.5472 8.8823 8.8823 9.4933 9.4933 10.6020 10.6020 10.8579 10.8579 18.8125 18.8125 19.4430 19.4430 19.9578 19.9578 21.1756 21.1756 k = 0.5988-0.0129-0.2166 ( 1766 PWs) bands (ev): -62.2092 -62.2092 -29.1424 -29.1424 -28.8634 -28.8634 -28.8457 -28.8457 -5.6185 -5.6185 -3.0830 -3.0830 6.7631 6.7631 7.6359 7.6359 8.9986 8.9986 9.5113 9.5113 10.6409 10.6409 10.9044 10.9044 18.8052 18.8052 19.4594 19.4594 19.9074 19.9074 21.1573 21.1573 k = 0.5943-0.0057-0.2028 ( 1764 PWs) bands (ev): -62.2094 -62.2094 -29.1417 -29.1417 -28.8628 -28.8628 -28.8447 -28.8447 -5.6657 -5.6657 -3.1193 -3.1193 6.7673 6.7673 7.7181 7.7181 9.1170 9.1170 9.5365 9.5365 10.6786 10.6786 10.9480 10.9480 18.7921 18.7921 19.4503 19.4503 19.8822 19.8822 21.1410 21.1410 k = 0.5898 0.0014-0.1889 ( 1764 PWs) bands (ev): -62.2096 -62.2096 -29.1410 -29.1410 -28.8623 -28.8623 -28.8438 -28.8438 -5.7108 -5.7108 -3.1543 -3.1543 6.7687 6.7687 7.7930 7.7930 9.2366 9.2366 9.5692 9.5692 10.7152 10.7152 10.9886 10.9886 18.7731 18.7731 19.4125 19.4125 19.8850 19.8850 21.1284 21.1284 k = 0.5853 0.0086-0.1751 ( 1762 PWs) bands (ev): -62.2099 -62.2099 -29.1404 -29.1404 -28.8618 -28.8618 -28.8429 -28.8429 -5.7539 -5.7539 -3.1879 -3.1879 6.7677 6.7677 7.8603 7.8603 9.3568 9.3568 9.6097 9.6097 10.7506 10.7506 11.0263 11.0263 18.7479 18.7479 19.3519 19.3519 19.9098 19.9098 21.1207 21.1207 k = 0.5808 0.0157-0.1612 ( 1768 PWs) bands (ev): -62.2101 -62.2101 -29.1398 -29.1398 -28.8614 -28.8614 -28.8419 -28.8419 -5.7948 -5.7948 -3.2200 -3.2200 6.7649 6.7649 7.9196 7.9196 9.4767 9.4767 9.6579 9.6579 10.7847 10.7847 11.0609 11.0609 18.7166 18.7166 19.2772 19.2772 19.9480 19.9480 21.1187 21.1187 k = 0.5763 0.0228-0.1474 ( 1768 PWs) bands (ev): -62.2103 -62.2103 -29.1392 -29.1392 -28.8610 -28.8610 -28.8410 -28.8410 -5.8336 -5.8336 -3.2506 -3.2506 6.7607 6.7607 7.9711 7.9711 9.5955 9.5955 9.7134 9.7134 10.8176 10.8176 11.0925 11.0925 18.6795 18.6795 19.1946 19.1946 19.9934 19.9934 21.1227 21.1227 k = 0.5718 0.0300-0.1336 ( 1766 PWs) bands (ev): -62.2105 -62.2105 -29.1387 -29.1387 -28.8606 -28.8606 -28.8401 -28.8401 -5.8703 -5.8703 -3.2797 -3.2797 6.7554 6.7554 8.0150 8.0150 9.7125 9.7125 9.7757 9.7757 10.8494 10.8494 11.1211 11.1211 18.6369 18.6369 19.1076 19.1076 20.0422 20.0422 21.1325 21.1325 k = 0.5674 0.0371-0.1197 ( 1772 PWs) bands (ev): -62.2106 -62.2106 -29.1382 -29.1382 -28.8603 -28.8603 -28.8392 -28.8392 -5.9048 -5.9048 -3.3072 -3.3072 6.7493 6.7493 8.0518 8.0518 9.8265 9.8265 9.8439 9.8439 10.8801 10.8801 11.1467 11.1467 18.5894 18.5894 19.0187 19.0187 20.0924 20.0924 21.1479 21.1479 k = 0.5629 0.0442-0.1059 ( 1770 PWs) bands (ev): -62.2108 -62.2108 -29.1377 -29.1377 -28.8600 -28.8600 -28.8384 -28.8384 -5.9372 -5.9372 -3.3330 -3.3330 6.7426 6.7426 8.0821 8.0821 9.9162 9.9162 9.9378 9.9378 10.9098 10.9098 11.1692 11.1692 18.5380 18.5380 18.9293 18.9293 20.1426 20.1426 21.1684 21.1684 k = 0.5584 0.0514-0.0920 ( 1774 PWs) bands (ev): -62.2110 -62.2110 -29.1373 -29.1373 -28.8598 -28.8598 -28.8376 -28.8376 -5.9674 -5.9674 -3.3573 -3.3573 6.7357 6.7357 8.1068 8.1068 9.9926 9.9926 10.0441 10.0441 10.9386 10.9386 11.1885 11.1885 18.4835 18.4835 18.8406 18.8406 20.1917 20.1917 21.1931 21.1931 k = 0.5539 0.0585-0.0782 ( 1772 PWs) bands (ev): -62.2111 -62.2111 -29.1368 -29.1368 -28.8595 -28.8595 -28.8368 -28.8368 -5.9954 -5.9954 -3.3798 -3.3798 6.7287 6.7287 8.1266 8.1266 10.0712 10.0712 10.1454 10.1454 10.9666 10.9666 11.2048 11.2048 18.4270 18.4270 18.7537 18.7537 20.2391 20.2391 21.2212 21.2212 k = 0.5494 0.0657-0.0644 ( 1772 PWs) bands (ev): -62.2113 -62.2113 -29.1365 -29.1365 -28.8593 -28.8593 -28.8360 -28.8360 -6.0212 -6.0212 -3.4006 -3.4006 6.7218 6.7218 8.1423 8.1423 10.1509 10.1509 10.2406 10.2406 10.9941 10.9941 11.2180 11.2180 18.3695 18.3695 18.6695 18.6695 20.2843 20.2843 21.2520 21.2520 k = 0.5449 0.0728-0.0505 ( 1774 PWs) bands (ev): -62.2114 -62.2114 -29.1361 -29.1361 -28.8592 -28.8592 -28.8353 -28.8353 -6.0448 -6.0448 -3.4197 -3.4197 6.7150 6.7150 8.1545 8.1545 10.2302 10.2302 10.3289 10.3289 11.0212 11.0212 11.2281 11.2281 18.3122 18.3122 18.5888 18.5888 20.3268 20.3268 21.2842 21.2842 k = 0.5404 0.0799-0.0367 ( 1776 PWs) bands (ev): -62.2115 -62.2115 -29.1358 -29.1358 -28.8590 -28.8590 -28.8347 -28.8347 -6.0661 -6.0661 -3.4371 -3.4371 6.7086 6.7086 8.1639 8.1639 10.3081 10.3081 10.4094 10.4094 11.0478 11.0478 11.2351 11.2351 18.2561 18.2561 18.5125 18.5125 20.3663 20.3663 21.3170 21.3170 k = 0.5359 0.0871-0.0229 ( 1778 PWs) bands (ev): -62.2116 -62.2116 -29.1355 -29.1355 -28.8589 -28.8589 -28.8341 -28.8341 -6.0853 -6.0853 -3.4526 -3.4526 6.7026 6.7026 8.1711 8.1711 10.3834 10.3834 10.4815 10.4815 11.0742 11.0742 11.2390 11.2390 18.2024 18.2024 18.4415 18.4415 20.4023 20.4023 21.3495 21.3495 k = 0.5314 0.0942-0.0090 ( 1780 PWs) bands (ev): -62.2117 -62.2117 -29.1353 -29.1353 -28.8588 -28.8588 -28.8336 -28.8336 -6.1022 -6.1022 -3.4664 -3.4664 6.6971 6.6971 8.1765 8.1765 10.4549 10.4549 10.5447 10.5447 11.0999 11.0999 11.2402 11.2402 18.1520 18.1520 18.3765 18.3765 20.4347 20.4347 21.3805 21.3805 k = 0.5269 0.1014 0.0048 ( 1780 PWs) bands (ev): -62.2118 -62.2118 -29.1351 -29.1351 -28.8586 -28.8586 -28.8331 -28.8331 -6.1168 -6.1168 -3.4784 -3.4784 6.6922 6.6922 8.1804 8.1804 10.5214 10.5214 10.5985 10.5985 11.1247 11.1247 11.2387 11.2387 18.1061 18.1061 18.3184 18.3184 20.4632 20.4632 21.4091 21.4091 k = 0.5225 0.1085 0.0187 ( 1790 PWs) bands (ev): -62.2119 -62.2119 -29.1349 -29.1349 -28.8586 -28.8586 -28.8328 -28.8328 -6.1292 -6.1292 -3.4885 -3.4885 6.6880 6.6880 8.1832 8.1832 10.5815 10.5815 10.6432 10.6432 11.1478 11.1478 11.2351 11.2351 18.0656 18.0656 18.2679 18.2679 20.4876 20.4876 21.4344 21.4344 k = 0.5180 0.1156 0.0325 ( 1792 PWs) bands (ev): -62.2119 -62.2119 -29.1348 -29.1348 -28.8585 -28.8585 -28.8325 -28.8325 -6.1394 -6.1394 -3.4969 -3.4969 6.6845 6.6845 8.1852 8.1852 10.6340 10.6340 10.6788 10.6788 11.1684 11.1684 11.2301 11.2301 18.0311 18.0311 18.2256 18.2256 20.5078 20.5078 21.4552 21.4552 k = 0.5135 0.1228 0.0463 ( 1790 PWs) bands (ev): -62.2120 -62.2120 -29.1346 -29.1346 -28.8585 -28.8585 -28.8322 -28.8322 -6.1473 -6.1473 -3.5033 -3.5033 6.6817 6.6817 8.1866 8.1866 10.6772 10.6772 10.7062 10.7062 11.1852 11.1852 11.2247 11.2247 18.0036 18.0036 18.1920 18.1920 20.5236 20.5236 21.4702 21.4702 k = 0.5090 0.1299 0.0602 ( 1796 PWs) bands (ev): -62.2120 -62.2120 -29.1346 -29.1346 -28.8585 -28.8585 -28.8320 -28.8320 -6.1530 -6.1530 -3.5080 -3.5080 6.6797 6.6797 8.1874 8.1874 10.7090 10.7090 10.7260 10.7260 11.1967 11.1967 11.2208 11.2208 17.9835 17.9835 18.1677 18.1677 20.5349 20.5349 21.4785 21.4785 k = 0.5045 0.1370 0.0740 ( 1802 PWs) bands (ev): -62.2120 -62.2120 -29.1346 -29.1346 -28.8585 -28.8585 -28.8320 -28.8320 -6.1564 -6.1564 -3.5108 -3.5108 6.6784 6.6784 8.1879 8.1879 10.7272 10.7272 10.7394 10.7394 11.2017 11.2017 11.2199 11.2199 17.9712 17.9712 18.1530 18.1530 20.5418 20.5418 21.4813 21.4813 k = 0.5000 0.1442 0.0879 ( 1810 PWs) bands (ev): -62.2121 -62.2121 -29.1346 -29.1346 -28.8585 -28.8585 -28.8320 -28.8320 -6.1575 -6.1575 -3.5117 -3.5117 6.6780 6.6780 8.1880 8.1880 10.7327 10.7327 10.7445 10.7445 11.2025 11.2025 11.2204 11.2204 17.9671 17.9671 18.1481 18.1481 20.5440 20.5440 21.4816 21.4816 k = 0.5000 0.1442 0.0879 ( 1810 PWs) bands (ev): -62.2121 -62.2121 -29.1346 -29.1346 -28.8585 -28.8585 -28.8320 -28.8320 -6.1575 -6.1575 -3.5117 -3.5117 6.6780 6.6780 8.1880 8.1880 10.7327 10.7327 10.7445 10.7445 11.2025 11.2025 11.2204 11.2204 17.9671 17.9671 18.1481 18.1481 20.5440 20.5440 21.4816 21.4816 k = 0.4848 0.1398 0.0852 ( 1810 PWs) bands (ev): -62.2121 -62.2121 -29.1346 -29.1346 -28.8585 -28.8585 -28.8320 -28.8320 -6.1584 -6.1584 -3.5098 -3.5098 6.6617 6.6617 8.2052 8.2052 10.7321 10.7321 10.7439 10.7439 11.2032 11.2032 11.2211 11.2211 17.9641 17.9641 18.1482 18.1482 20.5449 20.5449 21.4815 21.4815 k = 0.4697 0.1354 0.0825 ( 1792 PWs) bands (ev): -62.2120 -62.2120 -29.1345 -29.1345 -28.8584 -28.8584 -28.8319 -28.8319 -6.1610 -6.1610 -3.5040 -3.5040 6.6151 6.6151 8.2549 8.2549 10.7303 10.7303 10.7421 10.7421 11.2054 11.2054 11.2232 11.2232 17.9552 17.9552 18.1484 18.1484 20.5474 20.5474 21.4810 21.4810 k = 0.4545 0.1311 0.0799 ( 1786 PWs) bands (ev): -62.2120 -62.2120 -29.1345 -29.1345 -28.8584 -28.8584 -28.8319 -28.8319 -6.1653 -6.1653 -3.4945 -3.4945 6.5433 6.5433 8.3316 8.3316 10.7274 10.7274 10.7392 10.7392 11.2088 11.2088 11.2267 11.2267 17.9410 17.9410 18.1481 18.1481 20.5518 20.5518 21.4803 21.4803 k = 0.4394 0.1267 0.0772 ( 1786 PWs) bands (ev): -62.2120 -62.2120 -29.1345 -29.1345 -28.8584 -28.8584 -28.8319 -28.8319 -6.1713 -6.1713 -3.4814 -3.4814 6.4526 6.4526 8.4292 8.4292 10.7233 10.7233 10.7351 10.7351 11.2135 11.2135 11.2314 11.2314 17.9222 17.9222 18.1466 18.1466 20.5581 20.5581 21.4792 21.4792 k = 0.4242 0.1223 0.0745 ( 1786 PWs) bands (ev): -62.2120 -62.2120 -29.1345 -29.1345 -28.8584 -28.8584 -28.8319 -28.8319 -6.1788 -6.1788 -3.4647 -3.4647 6.3484 6.3484 8.5421 8.5421 10.7183 10.7183 10.7301 10.7301 11.2194 11.2194 11.2373 11.2373 17.8994 17.8994 18.1432 18.1432 20.5666 20.5666 21.4778 21.4778 k = 0.4091 0.1180 0.0719 ( 1780 PWs) bands (ev): -62.2120 -62.2120 -29.1344 -29.1344 -28.8583 -28.8583 -28.8318 -28.8318 -6.1878 -6.1878 -3.4446 -3.4446 6.2353 6.2353 8.6660 8.6660 10.7124 10.7124 10.7242 10.7242 11.2263 11.2263 11.2442 11.2442 17.8733 17.8733 18.1374 18.1374 20.5774 20.5774 21.4762 21.4762 k = 0.3939 0.1136 0.0692 ( 1786 PWs) bands (ev): -62.2120 -62.2120 -29.1345 -29.1345 -28.8583 -28.8583 -28.8319 -28.8319 -6.1980 -6.1980 -3.4214 -3.4214 6.1161 6.1161 8.7976 8.7976 10.7057 10.7057 10.7175 10.7175 11.2341 11.2341 11.2520 11.2520 17.8440 17.8440 18.1290 18.1290 20.5909 20.5909 21.4743 21.4743 k = 0.3788 0.1092 0.0666 ( 1774 PWs) bands (ev): -62.2120 -62.2120 -29.1344 -29.1344 -28.8583 -28.8583 -28.8318 -28.8318 -6.2095 -6.2095 -3.3952 -3.3952 5.9934 5.9934 8.9347 8.9347 10.6984 10.6984 10.7102 10.7102 11.2427 11.2427 11.2607 11.2607 17.8118 17.8118 18.1178 18.1178 20.6071 20.6071 21.4722 21.4722 k = 0.3636 0.1049 0.0639 ( 1774 PWs) bands (ev): -62.2120 -62.2120 -29.1344 -29.1344 -28.8583 -28.8583 -28.8318 -28.8318 -6.2219 -6.2219 -3.3663 -3.3663 5.8688 5.8688 9.0753 9.0753 10.6907 10.6907 10.7024 10.7024 11.2520 11.2520 11.2700 11.2700 17.7769 17.7769 18.1038 18.1038 20.6261 20.6261 21.4698 21.4698 k = 0.3485 0.1005 0.0612 ( 1771 PWs) bands (ev): -62.2120 -62.2120 -29.1344 -29.1344 -28.8583 -28.8583 -28.8318 -28.8318 -6.2352 -6.2352 -3.3349 -3.3349 5.7437 5.7437 9.2183 9.2183 10.6825 10.6825 10.6942 10.6942 11.2618 11.2618 11.2798 11.2798 17.7394 17.7394 18.0874 18.0874 20.6482 20.6482 21.4673 21.4673 k = 0.3333 0.0961 0.0586 ( 1771 PWs) bands (ev): -62.2120 -62.2120 -29.1344 -29.1344 -28.8583 -28.8583 -28.8318 -28.8318 -6.2492 -6.2492 -3.3014 -3.3014 5.6190 5.6190 9.3626 9.3626 10.6740 10.6740 10.6857 10.6857 11.2719 11.2719 11.2900 11.2900 17.6991 17.6991 18.0686 18.0686 20.6733 20.6733 21.4646 21.4646 k = 0.3182 0.0918 0.0559 ( 1771 PWs) bands (ev): -62.2120 -62.2120 -29.1344 -29.1344 -28.8582 -28.8582 -28.8318 -28.8318 -6.2637 -6.2637 -3.2660 -3.2660 5.4955 5.4955 9.5072 9.5072 10.6654 10.6654 10.6770 10.6770 11.2824 11.2824 11.3005 11.3005 17.6561 17.6561 18.0481 18.0481 20.7012 20.7012 21.4618 21.4618 k = 0.3030 0.0874 0.0532 ( 1771 PWs) bands (ev): -62.2120 -62.2120 -29.1344 -29.1344 -28.8582 -28.8582 -28.8318 -28.8318 -6.2786 -6.2786 -3.2291 -3.2291 5.3739 5.3739 9.6515 9.6515 10.6566 10.6566 10.6683 10.6683 11.2930 11.2930 11.3111 11.3111 17.6104 17.6104 18.0262 18.0262 20.7321 20.7321 21.4589 21.4589 k = 0.2879 0.0830 0.0506 ( 1771 PWs) bands (ev): -62.2120 -62.2120 -29.1343 -29.1343 -28.8582 -28.8582 -28.8318 -28.8318 -6.2938 -6.2938 -3.1909 -3.1909 5.2547 5.2547 9.7948 9.7948 10.6479 10.6479 10.6595 10.6595 11.3037 11.3037 11.3219 11.3219 17.5619 17.5619 18.0034 18.0034 20.7655 20.7655 21.4559 21.4559 k = 0.2727 0.0786 0.0479 ( 1771 PWs) bands (ev): -62.2120 -62.2120 -29.1343 -29.1343 -28.8582 -28.8582 -28.8318 -28.8318 -6.3090 -6.3090 -3.1518 -3.1518 5.1384 5.1384 9.9365 9.9365 10.6392 10.6392 10.6508 10.6508 11.3143 11.3143 11.3326 11.3326 17.5108 17.5108 17.9803 17.9803 20.8012 20.8012 21.4528 21.4528 k = 0.2576 0.0743 0.0453 ( 1765 PWs) bands (ev): -62.2120 -62.2120 -29.1343 -29.1343 -28.8582 -28.8582 -28.8318 -28.8318 -6.3241 -6.3241 -3.1120 -3.1120 5.0255 5.0255 10.0759 10.0759 10.6307 10.6307 10.6423 10.6423 11.3249 11.3249 11.3432 11.3432 17.4572 17.4572 17.9571 17.9571 20.8390 20.8390 21.4497 21.4497 k = 0.2424 0.0699 0.0426 ( 1771 PWs) bands (ev): -62.2120 -62.2120 -29.1343 -29.1343 -28.8582 -28.8582 -28.8318 -28.8318 -6.3391 -6.3391 -3.0720 -3.0720 4.9164 4.9164 10.2126 10.2126 10.6224 10.6224 10.6340 10.6340 11.3352 11.3352 11.3536 11.3536 17.4015 17.4015 17.9344 17.9344 20.8782 20.8782 21.4467 21.4467 k = 0.2273 0.0655 0.0399 ( 1771 PWs) bands (ev): -62.2120 -62.2120 -29.1343 -29.1343 -28.8582 -28.8582 -28.8318 -28.8318 -6.3537 -6.3537 -3.0321 -3.0321 4.8115 4.8115 10.3459 10.3459 10.6144 10.6144 10.6259 10.6259 11.3453 11.3453 11.3637 11.3637 17.3440 17.3440 17.9124 17.9124 20.9188 20.9188 21.4436 21.4436 k = 0.2121 0.0612 0.0373 ( 1771 PWs) bands (ev): -62.2120 -62.2120 -29.1343 -29.1343 -28.8581 -28.8581 -28.8318 -28.8318 -6.3679 -6.3679 -2.9926 -2.9926 4.7112 4.7112 10.4753 10.4753 10.6067 10.6067 10.6181 10.6181 11.3550 11.3550 11.3735 11.3735 17.2851 17.2851 17.8914 17.8914 20.9600 20.9600 21.4407 21.4407 k = 0.1970 0.0568 0.0346 ( 1772 PWs) bands (ev): -62.2120 -62.2120 -29.1343 -29.1343 -28.8581 -28.8581 -28.8318 -28.8318 -6.3816 -6.3816 -2.9538 -2.9538 4.6158 4.6158 10.5987 10.5987 10.6008 10.6008 10.6107 10.6107 11.3644 11.3644 11.3828 11.3828 17.2255 17.2255 17.8715 17.8715 21.0015 21.0015 21.4378 21.4378 k = 0.1818 0.0524 0.0319 ( 1772 PWs) bands (ev): -62.2120 -62.2120 -29.1343 -29.1343 -28.8581 -28.8581 -28.8318 -28.8318 -6.3946 -6.3946 -2.9161 -2.9161 4.5257 4.5257 10.5923 10.5923 10.6037 10.6037 10.7199 10.7199 11.3733 11.3733 11.3918 11.3918 17.1658 17.1658 17.8530 17.8530 21.0427 21.0427 21.4350 21.4350 k = 0.1667 0.0481 0.0293 ( 1769 PWs) bands (ev): -62.2120 -62.2120 -29.1343 -29.1343 -28.8581 -28.8581 -28.8318 -28.8318 -6.4069 -6.4069 -2.8799 -2.8799 4.4412 4.4412 10.5858 10.5858 10.5972 10.5972 10.8338 10.8338 11.3817 11.3817 11.4002 11.4002 17.1066 17.1066 17.8358 17.8358 21.0832 21.0832 21.4324 21.4324 k = 0.1515 0.0437 0.0266 ( 1772 PWs) bands (ev): -62.2120 -62.2120 -29.1343 -29.1343 -28.8581 -28.8581 -28.8318 -28.8318 -6.4184 -6.4184 -2.8454 -2.8454 4.3627 4.3627 10.5798 10.5798 10.5911 10.5911 10.9411 10.9411 11.3895 11.3895 11.4080 11.4080 17.0489 17.0489 17.8200 17.8200 21.1223 21.1223 21.4299 21.4299 k = 0.1364 0.0393 0.0240 ( 1766 PWs) bands (ev): -62.2120 -62.2120 -29.1342 -29.1342 -28.8581 -28.8581 -28.8318 -28.8318 -6.4289 -6.4289 -2.8130 -2.8130 4.2906 4.2906 10.5742 10.5742 10.5855 10.5855 11.0412 11.0412 11.3967 11.3967 11.4152 11.4152 16.9932 16.9932 17.8057 17.8057 21.1596 21.1596 21.4276 21.4276 k = 0.1212 0.0350 0.0213 ( 1760 PWs) bands (ev): -62.2120 -62.2120 -29.1342 -29.1342 -28.8580 -28.8580 -28.8317 -28.8317 -6.4386 -6.4386 -2.7831 -2.7831 4.2251 4.2251 10.5692 10.5692 10.5805 10.5805 11.1334 11.1334 11.4034 11.4034 11.4218 11.4218 16.9405 16.9405 17.7929 17.7929 21.1946 21.1946 21.4256 21.4256 k = 0.1061 0.0306 0.0186 ( 1754 PWs) bands (ev): -62.2120 -62.2120 -29.1342 -29.1342 -28.8580 -28.8580 -28.8317 -28.8317 -6.4472 -6.4472 -2.7558 -2.7558 4.1664 4.1664 10.5647 10.5647 10.5760 10.5760 11.2170 11.2170 11.4095 11.4095 11.4277 11.4277 16.8916 16.8916 17.7816 17.7816 21.2268 21.2268 21.4237 21.4237 k = 0.0909 0.0262 0.0160 ( 1754 PWs) bands (ev): -62.2120 -62.2120 -29.1342 -29.1342 -28.8580 -28.8580 -28.8317 -28.8317 -6.4548 -6.4548 -2.7316 -2.7316 4.1150 4.1150 10.5608 10.5608 10.5720 10.5720 11.2910 11.2910 11.4150 11.4150 11.4328 11.4328 16.8472 16.8472 17.7718 17.7718 21.2557 21.2557 21.4221 21.4221 k = 0.0758 0.0218 0.0133 ( 1754 PWs) bands (ev): -62.2120 -62.2120 -29.1342 -29.1342 -28.8580 -28.8580 -28.8317 -28.8317 -6.4613 -6.4613 -2.7106 -2.7106 4.0710 4.0710 10.5575 10.5575 10.5687 10.5687 11.3543 11.3543 11.4203 11.4203 11.4372 11.4372 16.8081 16.8081 17.7635 17.7635 21.2810 21.2810 21.4206 21.4206 k = 0.0606 0.0175 0.0106 ( 1754 PWs) bands (ev): -62.2120 -62.2120 -29.1342 -29.1342 -28.8580 -28.8580 -28.8317 -28.8317 -6.4667 -6.4667 -2.6931 -2.6931 4.0347 4.0347 10.5547 10.5547 10.5659 10.5659 11.4030 11.4030 11.4288 11.4288 11.4409 11.4409 16.7750 16.7750 17.7567 17.7567 21.3021 21.3021 21.4194 21.4194 k = 0.0455 0.0131 0.0080 ( 1754 PWs) bands (ev): -62.2120 -62.2120 -29.1342 -29.1342 -28.8580 -28.8580 -28.8317 -28.8317 -6.4709 -6.4709 -2.6793 -2.6793 4.0063 4.0063 10.5525 10.5525 10.5637 10.5637 11.4206 11.4206 11.4437 11.4437 11.4565 11.4565 16.7485 16.7485 17.7514 17.7514 21.3190 21.3190 21.4185 21.4185 k = 0.0303 0.0087 0.0053 ( 1754 PWs) bands (ev): -62.2120 -62.2120 -29.1342 -29.1342 -28.8580 -28.8580 -28.8317 -28.8317 -6.4739 -6.4739 -2.6693 -2.6693 3.9859 3.9859 10.5510 10.5510 10.5622 10.5622 11.4245 11.4245 11.4458 11.4458 11.4852 11.4852 16.7292 16.7292 17.7477 17.7477 21.3312 21.3312 21.4178 21.4178 k = 0.0152 0.0044 0.0027 ( 1751 PWs) bands (ev): -62.2120 -62.2120 -29.1342 -29.1342 -28.8580 -28.8580 -28.8317 -28.8317 -6.4757 -6.4757 -2.6633 -2.6633 3.9736 3.9736 10.5501 10.5501 10.5613 10.5613 11.4262 11.4262 11.4470 11.4470 11.5032 11.5032 16.7175 16.7175 17.7454 17.7454 21.3386 21.3386 21.4174 21.4174 k = 0.0000 0.0000 0.0000 ( 1745 PWs) bands (ev): -62.2120 -62.2120 -29.1341 -29.1341 -28.8579 -28.8579 -28.8317 -28.8317 -6.4763 -6.4763 -2.6613 -2.6613 3.9695 3.9695 10.5498 10.5498 10.5610 10.5610 11.4267 11.4267 11.4474 11.4474 11.5093 11.5093 16.7136 16.7136 17.7447 17.7447 21.3411 21.3411 21.4173 21.4173 k = 0.0000 0.0000 0.0000 ( 1745 PWs) bands (ev): -62.2120 -62.2120 -29.1341 -29.1341 -28.8579 -28.8579 -28.8317 -28.8317 -6.4763 -6.4763 -2.6613 -2.6613 3.9695 3.9695 10.5498 10.5498 10.5610 10.5610 11.4267 11.4267 11.4474 11.4474 11.5093 11.5093 16.7136 16.7136 17.7447 17.7447 21.3411 21.3411 21.4173 21.4173 k = 0.0045-0.0072-0.0139 ( 1751 PWs) bands (ev): -62.2120 -62.2120 -29.1342 -29.1342 -28.8580 -28.8580 -28.8317 -28.8317 -6.4751 -6.4751 -2.6605 -2.6605 3.9706 3.9706 10.5442 10.5442 10.5566 10.5566 11.4239 11.4239 11.4450 11.4450 11.5098 11.5098 16.7182 16.7182 17.7497 17.7497 21.2979 21.2979 21.4346 21.4346 k = 0.0090-0.0143-0.0278 ( 1755 PWs) bands (ev): -62.2120 -62.2120 -29.1342 -29.1342 -28.8580 -28.8580 -28.8319 -28.8319 -6.4716 -6.4716 -2.6583 -2.6583 3.9741 3.9741 10.5232 10.5232 10.5477 10.5477 11.4121 11.4121 11.4410 11.4410 11.5114 11.5114 16.7320 16.7320 17.7648 17.7648 21.2257 21.2257 21.4469 21.4469 k = 0.0135-0.0215-0.0417 ( 1757 PWs) bands (ev): -62.2120 -62.2120 -29.1343 -29.1343 -28.8580 -28.8580 -28.8321 -28.8321 -6.4656 -6.4656 -2.6546 -2.6546 3.9799 3.9799 10.4864 10.4864 10.5356 10.5356 11.3884 11.3884 11.4384 11.4384 11.5138 11.5138 16.7548 16.7548 17.7897 17.7897 21.1473 21.1473 21.4600 21.4600 k = 0.0180-0.0287-0.0556 ( 1757 PWs) bands (ev): -62.2119 -62.2119 -29.1344 -29.1344 -28.8581 -28.8581 -28.8323 -28.8323 -6.4574 -6.4574 -2.6494 -2.6494 3.9880 3.9880 10.4357 10.4357 10.5190 10.5190 11.3543 11.3543 11.4361 11.4361 11.5168 11.5168 16.7860 16.7860 17.8241 17.8241 21.0658 21.0658 21.4772 21.4772 k = 0.0226-0.0359-0.0695 ( 1757 PWs) bands (ev): -62.2119 -62.2119 -29.1346 -29.1346 -28.8582 -28.8582 -28.8327 -28.8327 -6.4468 -6.4468 -2.6428 -2.6428 3.9984 3.9984 10.3728 10.3728 10.4971 10.4971 11.3114 11.3114 11.4329 11.4329 11.5197 11.5197 16.8252 16.8252 17.8674 17.8674 20.9817 20.9817 21.4990 21.4990 k = 0.0271-0.0430-0.0834 ( 1757 PWs) bands (ev): -62.2118 -62.2118 -29.1348 -29.1348 -28.8583 -28.8583 -28.8331 -28.8331 -6.4338 -6.4338 -2.6347 -2.6347 4.0111 4.0111 10.2990 10.2990 10.4693 10.4693 11.2611 11.2611 11.4284 11.4284 11.5221 11.5221 16.8717 16.8717 17.9192 17.9192 20.8955 20.8955 21.5254 21.5254 k = 0.0316-0.0502-0.0973 ( 1755 PWs) bands (ev): -62.2117 -62.2117 -29.1350 -29.1350 -28.8584 -28.8584 -28.8335 -28.8335 -6.4184 -6.4184 -2.6252 -2.6252 4.0261 4.0261 10.2155 10.2155 10.4347 10.4347 11.2052 11.2052 11.4222 11.4222 11.5236 11.5236 16.9248 16.9248 17.9788 17.9788 20.8074 20.8074 21.5566 21.5566 k = 0.0361-0.0574-0.1112 ( 1757 PWs) bands (ev): -62.2116 -62.2116 -29.1353 -29.1353 -28.8585 -28.8585 -28.8340 -28.8340 -6.4008 -6.4008 -2.6142 -2.6142 4.0433 4.0433 10.1235 10.1235 10.3925 10.3925 11.1452 11.1452 11.4138 11.4138 11.5239 11.5239 16.9838 16.9838 18.0454 18.0454 20.7179 20.7179 21.5926 21.5926 k = 0.0406-0.0645-0.1251 ( 1761 PWs) bands (ev): -62.2115 -62.2115 -29.1356 -29.1356 -28.8587 -28.8587 -28.8347 -28.8347 -6.3807 -6.3807 -2.6018 -2.6018 4.0628 4.0628 10.0240 10.0240 10.3417 10.3417 11.0829 11.0829 11.4029 11.4029 11.5230 11.5230 17.0478 17.0478 18.1183 18.1183 20.6271 20.6271 21.6332 21.6332 k = 0.0451-0.0717-0.1390 ( 1757 PWs) bands (ev): -62.2114 -62.2114 -29.1359 -29.1359 -28.8588 -28.8588 -28.8353 -28.8353 -6.3584 -6.3584 -2.5880 -2.5880 4.0846 4.0846 9.9180 9.9180 10.2815 10.2815 11.0199 11.0199 11.3891 11.3891 11.5210 11.5210 17.1163 17.1163 18.1967 18.1967 20.5354 20.5354 21.6785 21.6785 k = 0.0496-0.0789-0.1529 ( 1761 PWs) bands (ev): -62.2113 -62.2113 -29.1363 -29.1363 -28.8590 -28.8590 -28.8360 -28.8360 -6.3337 -6.3337 -2.5729 -2.5729 4.1085 4.1085 9.8062 9.8062 10.2113 10.2113 10.9577 10.9577 11.3721 11.3721 11.5180 11.5180 17.1884 17.1884 18.2798 18.2798 20.4432 20.4432 21.7284 21.7284 k = 0.0541-0.0861-0.1668 ( 1761 PWs) bands (ev): -62.2111 -62.2111 -29.1367 -29.1367 -28.8593 -28.8593 -28.8368 -28.8368 -6.3068 -6.3068 -2.5564 -2.5564 4.1347 4.1347 9.6895 9.6895 10.1308 10.1308 10.8971 10.8971 11.3516 11.3516 11.5143 11.5143 17.2635 17.2635 18.3669 18.3669 20.3509 20.3509 21.7827 21.7827 k = 0.0586-0.0932-0.1807 ( 1761 PWs) bands (ev): -62.2110 -62.2110 -29.1371 -29.1371 -28.8595 -28.8595 -28.8375 -28.8375 -6.2775 -6.2775 -2.5386 -2.5386 4.1630 4.1630 9.5685 9.5685 10.0401 10.0401 10.8388 10.8388 11.3271 11.3271 11.5101 11.5101 17.3409 17.3409 18.4571 18.4571 20.2589 20.2589 21.8414 21.8414 k = 0.0632-0.1004-0.1946 ( 1759 PWs) bands (ev): -62.2108 -62.2108 -29.1375 -29.1375 -28.8598 -28.8598 -28.8384 -28.8384 -6.2459 -6.2459 -2.5195 -2.5195 4.1935 4.1935 9.4439 9.4439 9.9399 9.9399 10.7828 10.7828 11.2987 11.2987 11.5054 11.5054 17.4202 17.4202 18.5499 18.5499 20.1675 20.1675 21.9041 21.9041 k = 0.0677-0.1076-0.2085 ( 1759 PWs) bands (ev): -62.2106 -62.2106 -29.1380 -29.1380 -28.8601 -28.8601 -28.8392 -28.8392 -6.2121 -6.2121 -2.4991 -2.4991 4.2261 4.2261 9.3162 9.3162 9.8311 9.8311 10.7287 10.7287 11.2661 11.2661 11.5004 11.5004 17.5009 17.5009 18.6445 18.6445 20.0772 20.0772 21.9706 21.9706 k = 0.0722-0.1147-0.2224 ( 1759 PWs) bands (ev): -62.2104 -62.2104 -29.1386 -29.1386 -28.8604 -28.8604 -28.8401 -28.8401 -6.1759 -6.1759 -2.4776 -2.4776 4.2608 4.2608 9.1859 9.1859 9.7146 9.7146 10.6760 10.6760 11.2294 11.2294 11.4951 11.4951 17.5824 17.5824 18.7403 18.7403 19.9882 19.9882 22.0406 22.0406 k = 0.0767-0.1219-0.2363 ( 1757 PWs) bands (ev): -62.2102 -62.2102 -29.1391 -29.1391 -28.8608 -28.8608 -28.8410 -28.8410 -6.1376 -6.1376 -2.4548 -2.4548 4.2975 4.2975 9.0535 9.0535 9.5915 9.5915 10.6243 10.6243 11.1885 11.1885 11.4896 11.4896 17.6644 17.6644 18.8368 18.8368 19.9011 19.9011 22.1135 22.1135 k = 0.0812-0.1291-0.2502 ( 1755 PWs) bands (ev): -62.2100 -62.2100 -29.1397 -29.1397 -28.8612 -28.8612 -28.8420 -28.8420 -6.0970 -6.0970 -2.4309 -2.4309 4.3363 4.3363 8.9196 8.9196 9.4629 9.4629 10.5728 10.5728 11.1436 11.1436 11.4838 11.4838 17.7466 17.7466 18.9336 18.9336 19.8161 19.8161 22.1888 22.1888 k = 0.0857-0.1363-0.2642 ( 1755 PWs) bands (ev): -62.2098 -62.2098 -29.1403 -29.1403 -28.8616 -28.8616 -28.8429 -28.8429 -6.0541 -6.0541 -2.4059 -2.4059 4.3770 4.3770 8.7846 8.7846 9.3297 9.3297 10.5213 10.5213 11.0947 11.0947 11.4776 11.4776 17.8286 17.8286 19.0301 19.0301 19.7336 19.7336 22.2655 22.2655 k = 0.0902-0.1434-0.2781 ( 1759 PWs) bands (ev): -62.2096 -62.2096 -29.1409 -29.1409 -28.8621 -28.8621 -28.8438 -28.8438 -6.0091 -6.0091 -2.3799 -2.3799 4.4196 4.4196 8.6487 8.6487 9.1927 9.1927 10.4691 10.4691 11.0420 11.0420 11.4710 11.4710 17.9101 17.9101 19.1260 19.1260 19.6539 19.6539 22.3414 22.3414 k = 0.0947-0.1506-0.2920 ( 1765 PWs) bands (ev): -62.2094 -62.2094 -29.1416 -29.1416 -28.8627 -28.8627 -28.8448 -28.8448 -5.9619 -5.9619 -2.3529 -2.3529 4.4641 4.4641 8.5125 8.5125 9.0525 9.0525 10.4161 10.4161 10.9854 10.9854 11.4640 11.4640 17.9910 17.9910 19.2211 19.2211 19.5773 19.5773 22.4079 22.4079 k = 0.0992-0.1578-0.3059 ( 1765 PWs) bands (ev): -62.2092 -62.2092 -29.1423 -29.1423 -28.8633 -28.8633 -28.8457 -28.8457 -5.9126 -5.9126 -2.3249 -2.3249 4.5103 4.5103 8.3762 8.3762 8.9099 8.9099 10.3618 10.3618 10.9253 10.9253 11.4565 11.4565 18.0709 18.0709 19.3149 19.3149 19.5044 19.5044 22.4153 22.4153 k = 0.1038-0.1649-0.3198 ( 1767 PWs) bands (ev): -62.2089 -62.2089 -29.1431 -29.1431 -28.8639 -28.8639 -28.8466 -28.8466 -5.8611 -5.8611 -2.2961 -2.2961 4.5583 4.5583 8.2402 8.2402 8.7654 8.7654 10.3062 10.3062 10.8616 10.8616 11.4485 11.4485 18.1495 18.1495 19.4050 19.4050 19.4379 19.4379 22.3626 22.3626 k = 0.1083-0.1721-0.3337 ( 1765 PWs) bands (ev): -62.2087 -62.2087 -29.1438 -29.1438 -28.8646 -28.8646 -28.8475 -28.8475 -5.8075 -5.8075 -2.2665 -2.2665 4.6080 4.6080 8.1048 8.1048 8.6194 8.6194 10.2492 10.2492 10.7944 10.7944 11.4399 11.4399 18.2266 18.2266 19.3686 19.3686 19.5006 19.5006 22.3037 22.3037 k = 0.1128-0.1793-0.3476 ( 1767 PWs) bands (ev): -62.2084 -62.2084 -29.1446 -29.1446 -28.8654 -28.8654 -28.8483 -28.8483 -5.7518 -5.7518 -2.2362 -2.2362 4.6592 4.6592 7.9702 7.9702 8.4724 8.4724 10.1904 10.1904 10.7240 10.7240 11.4306 11.4306 18.3018 18.3018 19.3083 19.3083 19.5903 19.5903 22.2478 22.2478 k = 0.1173-0.1865-0.3615 ( 1769 PWs) bands (ev): -62.2082 -62.2082 -29.1454 -29.1454 -28.8663 -28.8663 -28.8491 -28.8491 -5.6940 -5.6940 -2.2052 -2.2052 4.7119 4.7119 7.8369 7.8369 8.3248 8.3248 10.1301 10.1301 10.6505 10.6505 11.4207 11.4207 18.3745 18.3745 19.2528 19.2528 19.6787 19.6787 22.1969 22.1969 k = 0.1218-0.1936-0.3754 ( 1763 PWs) bands (ev): -62.2079 -62.2079 -29.1462 -29.1462 -28.8671 -28.8671 -28.8499 -28.8499 -5.6342 -5.6342 -2.1737 -2.1737 4.7660 4.7660 7.7050 7.7050 8.1769 8.1769 10.0680 10.0680 10.5740 10.5740 11.4100 11.4100 18.4440 18.4440 19.2032 19.2032 19.7657 19.7657 22.1514 22.1514 k = 0.1263-0.2008-0.3893 ( 1765 PWs) bands (ev): -62.2077 -62.2077 -29.1470 -29.1470 -28.8681 -28.8681 -28.8506 -28.8506 -5.5724 -5.5724 -2.1417 -2.1417 4.8213 4.8213 7.5748 7.5748 8.0291 8.0291 10.0043 10.0043 10.4945 10.4945 11.3986 11.3986 18.5092 18.5092 19.1604 19.1604 19.8511 19.8511 22.1116 22.1116 k = 0.1308-0.2080-0.4032 ( 1761 PWs) bands (ev): -62.2074 -62.2074 -29.1478 -29.1478 -28.8690 -28.8690 -28.8512 -28.8512 -5.5087 -5.5087 -2.1092 -2.1092 4.8777 4.8777 7.4466 7.4466 7.8816 7.8816 9.9390 9.9390 10.4124 10.4124 11.3864 11.3864 18.5684 18.5684 19.1262 19.1262 19.9351 19.9351 22.0776 22.0776 k = 0.1353-0.2151-0.4171 ( 1755 PWs) bands (ev): -62.2071 -62.2071 -29.1487 -29.1487 -28.8700 -28.8700 -28.8519 -28.8519 -5.4430 -5.4430 -2.0765 -2.0765 4.9351 4.9351 7.3205 7.3205 7.7347 7.7347 9.8722 9.8722 10.3276 10.3276 11.3733 11.3733 18.6192 18.6192 19.1029 19.1029 20.0174 20.0174 22.0497 22.0497 k = 0.1398-0.2223-0.4310 ( 1761 PWs) bands (ev): -62.2069 -62.2069 -29.1496 -29.1496 -28.8711 -28.8711 -28.8525 -28.8525 -5.3754 -5.3754 -2.0437 -2.0437 4.9933 4.9933 7.1969 7.1969 7.5888 7.5888 9.8040 9.8040 10.2404 10.2404 11.3594 11.3594 18.6584 18.6584 19.0935 19.0935 20.0982 20.0982 22.0279 22.0279 k = 0.1444-0.2295-0.4449 ( 1761 PWs) bands (ev): -62.2066 -62.2066 -29.1504 -29.1504 -28.8722 -28.8722 -28.8531 -28.8531 -5.3060 -5.3060 -2.0107 -2.0107 5.0519 5.0519 7.0759 7.0759 7.4442 7.4442 9.7345 9.7345 10.1509 10.1509 11.3445 11.3445 18.6837 18.6837 19.1003 19.1003 20.1775 20.1775 22.0121 22.0121 k = 0.1489-0.2367-0.4588 ( 1761 PWs) bands (ev): -62.2063 -62.2063 -29.1513 -29.1513 -28.8733 -28.8733 -28.8536 -28.8536 -5.2348 -5.2348 -1.9778 -1.9778 5.1107 5.1107 6.9578 6.9578 7.3012 7.3012 9.6638 9.6638 10.0592 10.0592 11.3287 11.3287 18.6946 18.6946 19.1235 19.1235 20.2553 20.2553 22.0025 22.0025 k = 0.1534-0.2438-0.4727 ( 1761 PWs) bands (ev): -62.2060 -62.2060 -29.1522 -29.1522 -28.8745 -28.8745 -28.8542 -28.8542 -5.1618 -5.1618 -1.9451 -1.9451 5.1695 5.1695 6.8428 6.8428 7.1601 7.1601 9.5923 9.5923 9.9656 9.9656 11.3119 11.3119 18.6938 18.6938 19.1603 19.1603 20.3315 20.3315 21.9990 21.9990 k = 0.1579-0.2510-0.4866 ( 1755 PWs) bands (ev): -62.2058 -62.2058 -29.1531 -29.1531 -28.8756 -28.8756 -28.8546 -28.8546 -5.0871 -5.0871 -1.9126 -1.9126 5.2276 5.2276 6.7312 6.7312 7.0215 7.0215 9.5200 9.5200 9.8701 9.8701 11.2942 11.2942 18.6852 18.6852 19.2065 19.2065 20.4063 20.4063 22.0017 22.0017 k = 0.1624-0.2582-0.5005 ( 1749 PWs) bands (ev): -62.2055 -62.2055 -29.1540 -29.1540 -28.8767 -28.8767 -28.8551 -28.8551 -5.0108 -5.0108 -1.8806 -1.8806 5.2845 5.2845 6.6231 6.6231 6.8860 6.8860 9.4473 9.4473 9.7729 9.7729 11.2754 11.2754 18.6720 18.6720 19.2587 19.2587 20.4796 20.4796 22.0104 22.0104 k = 0.1669-0.2653-0.5144 ( 1749 PWs) bands (ev): -62.2052 -62.2052 -29.1549 -29.1549 -28.8779 -28.8779 -28.8556 -28.8556 -4.9329 -4.9329 -1.8491 -1.8491 5.3394 5.3394 6.5188 6.5188 6.7542 6.7542 9.3744 9.3744 9.6742 9.6742 11.2556 11.2556 18.6565 18.6565 19.3143 19.3143 20.5514 20.5514 22.0251 22.0251 k = 0.1714-0.2725-0.5283 ( 1749 PWs) bands (ev): -62.2050 -62.2050 -29.1558 -29.1558 -28.8791 -28.8791 -28.8560 -28.8560 -4.8534 -4.8534 -1.8183 -1.8183 5.3910 5.3910 6.4184 6.4184 6.6273 6.6273 9.3016 9.3016 9.5742 9.5742 11.2348 11.2348 18.6400 18.6400 19.3717 19.3717 20.6218 20.6218 22.0456 22.0456 k = 0.1759-0.2797-0.5422 ( 1753 PWs) bands (ev): -62.2047 -62.2047 -29.1567 -29.1567 -28.8802 -28.8802 -28.8564 -28.8564 -4.7724 -4.7724 -1.7885 -1.7885 5.4375 5.4375 6.3222 6.3222 6.5070 6.5070 9.2293 9.2293 9.4729 9.4729 11.2129 11.2129 18.6232 18.6232 19.4299 19.4299 20.6908 20.6908 22.0719 22.0719 k = 0.1804-0.2869-0.5561 ( 1753 PWs) bands (ev): -62.2044 -62.2044 -29.1576 -29.1576 -28.8814 -28.8814 -28.8569 -28.8569 -4.6901 -4.6901 -1.7596 -1.7596 5.4763 5.4763 6.2304 6.2304 6.3958 6.3958 9.1579 9.1579 9.3705 9.3705 11.1900 11.1900 18.6064 18.6064 19.4882 19.4882 20.7584 20.7584 22.1038 22.1038 k = 0.1850-0.2940-0.5700 ( 1753 PWs) bands (ev): -62.2042 -62.2042 -29.1584 -29.1584 -28.8825 -28.8825 -28.8573 -28.8573 -4.6064 -4.6064 -1.7318 -1.7318 5.5031 5.5031 6.1432 6.1432 6.2977 6.2977 9.0877 9.0877 9.2672 9.2672 11.1660 11.1660 18.5897 18.5897 19.5463 19.5463 20.8247 20.8247 22.1411 22.1411 k = 0.1895-0.3012-0.5839 ( 1753 PWs) bands (ev): -62.2039 -62.2039 -29.1593 -29.1593 -28.8836 -28.8836 -28.8577 -28.8577 -4.5215 -4.5215 -1.7054 -1.7054 5.5125 5.5125 6.0608 6.0608 6.2178 6.2178 9.0193 9.0193 9.1631 9.1631 11.1410 11.1410 18.5731 18.5731 19.6038 19.6038 20.8898 20.8898 22.1836 22.1836 k = 0.1940-0.3084-0.5978 ( 1743 PWs) bands (ev): -62.2037 -62.2037 -29.1601 -29.1601 -28.8847 -28.8847 -28.8580 -28.8580 -4.4354 -4.4354 -1.6804 -1.6804 5.4985 5.4985 5.9834 5.9834 6.1620 6.1620 8.9531 8.9531 9.0585 9.0585 11.1150 11.1150 18.5564 18.5564 19.6606 19.6606 20.9537 20.9537 22.2310 22.2310 k = 0.1985-0.3155-0.6117 ( 1741 PWs) bands (ev): -62.2034 -62.2034 -29.1609 -29.1609 -28.8857 -28.8857 -28.8584 -28.8584 -4.3482 -4.3482 -1.6571 -1.6571 5.4583 5.4583 5.9112 5.9112 6.1325 6.1325 8.8897 8.8897 8.9533 8.9533 11.0879 11.0879 18.5395 18.5395 19.7166 19.7166 21.0164 21.0164 22.2829 22.2829 k = 0.2030-0.3227-0.6256 ( 1741 PWs) bands (ev): -62.2032 -62.2032 -29.1617 -29.1617 -28.8868 -28.8868 -28.8588 -28.8588 -4.2601 -4.2601 -1.6355 -1.6355 5.3947 5.3947 5.8443 5.8443 6.1262 6.1262 8.8298 8.8298 8.8478 8.8478 11.0599 11.0599 18.5221 18.5221 19.7716 19.7716 21.0781 21.0781 22.3392 22.3392 k = 0.2075-0.3299-0.6395 ( 1741 PWs) bands (ev): -62.2030 -62.2030 -29.1625 -29.1625 -28.8878 -28.8878 -28.8592 -28.8592 -4.1711 -4.1711 -1.6158 -1.6158 5.3143 5.3143 5.7829 5.7829 6.1360 6.1360 8.7420 8.7420 8.7740 8.7740 11.0308 11.0308 18.5039 18.5039 19.8257 19.8257 21.1387 21.1387 22.3994 22.3994 k = 0.2120-0.3370-0.6534 ( 1739 PWs) bands (ev): -62.2027 -62.2027 -29.1633 -29.1633 -28.8887 -28.8887 -28.8596 -28.8596 -4.0813 -4.0813 -1.5982 -1.5982 5.2236 5.2236 5.7272 5.7272 6.1550 6.1550 8.6362 8.6362 8.7229 8.7229 11.0008 11.0008 18.4849 18.4849 19.8789 19.8789 21.1983 21.1983 22.4632 22.4632 k = 0.2165-0.3442-0.6673 ( 1741 PWs) bands (ev): -62.2025 -62.2025 -29.1640 -29.1640 -28.8897 -28.8897 -28.8599 -28.8599 -3.9909 -3.9909 -1.5828 -1.5828 5.1272 5.1272 5.6773 5.6773 6.1779 6.1779 8.5305 8.5305 8.6774 8.6774 10.9698 10.9698 18.4646 18.4646 19.9312 19.9312 21.2567 21.2567 22.5303 22.5303 k = 0.2210-0.3514-0.6812 ( 1743 PWs) bands (ev): -62.2023 -62.2023 -29.1647 -29.1647 -28.8906 -28.8906 -28.8603 -28.8603 -3.9000 -3.9000 -1.5697 -1.5697 5.0282 5.0282 5.6334 5.6334 6.2011 6.2011 8.4249 8.4249 8.6382 8.6382 10.9380 10.9380 18.4430 18.4430 19.9827 19.9827 21.3139 21.3139 22.6002 22.6002 k = 0.2256-0.3586-0.6951 ( 1739 PWs) bands (ev): -62.2021 -62.2021 -29.1654 -29.1654 -28.8914 -28.8914 -28.8607 -28.8607 -3.8087 -3.8087 -1.5590 -1.5590 4.9287 4.9287 5.5955 5.5955 6.2222 6.2222 8.3197 8.3197 8.6059 8.6059 10.9053 10.9053 18.4199 18.4199 20.0334 20.0334 21.3697 21.3697 22.6725 22.6725 k = 0.2301-0.3657-0.7090 ( 1735 PWs) bands (ev): -62.2019 -62.2019 -29.1660 -29.1660 -28.8923 -28.8923 -28.8610 -28.8610 -3.7172 -3.7172 -1.5507 -1.5507 4.8297 4.8297 5.5638 5.5638 6.2394 6.2394 8.2149 8.2149 8.5812 8.5812 10.8717 10.8717 18.3951 18.3951 20.0833 20.0833 21.4236 21.4236 22.7467 22.7467 k = 0.2346-0.3729-0.7229 ( 1743 PWs) bands (ev): -62.2017 -62.2017 -29.1667 -29.1667 -28.8931 -28.8931 -28.8614 -28.8614 -3.6256 -3.6256 -1.5451 -1.5451 4.7323 4.7323 5.5382 5.5382 6.2515 6.2515 8.1107 8.1107 8.5647 8.5647 10.8375 10.8375 18.3685 18.3685 20.1323 20.1323 21.4753 21.4753 22.8223 22.8223 k = 0.2391-0.3801-0.7368 ( 1745 PWs) bands (ev): -62.2016 -62.2016 -29.1672 -29.1672 -28.8938 -28.8938 -28.8617 -28.8617 -3.5342 -3.5342 -1.5421 -1.5421 4.6371 4.6371 5.5189 5.5189 6.2577 6.2577 8.0072 8.0072 8.5566 8.5566 10.8024 10.8024 18.3402 18.3402 20.1804 20.1804 21.5241 21.5241 22.8850 22.8850 k = 0.2436-0.3872-0.7507 ( 1745 PWs) bands (ev): -62.2014 -62.2014 -29.1678 -29.1678 -28.8946 -28.8946 -28.8621 -28.8621 -3.4429 -3.4429 -1.5418 -1.5418 4.5445 4.5445 5.5058 5.5058 6.2576 6.2576 7.9045 7.9045 8.5573 8.5573 10.7668 10.7668 18.3100 18.3100 20.2276 20.2276 21.5691 21.5691 22.8224 22.8224 k = 0.2481-0.3944-0.7647 ( 1745 PWs) bands (ev): -62.2012 -62.2012 -29.1683 -29.1683 -28.8952 -28.8952 -28.8624 -28.8624 -3.3521 -3.3521 -1.5442 -1.5442 4.4548 4.4548 5.4990 5.4990 6.2510 6.2510 7.8028 7.8028 8.5667 8.5667 10.7305 10.7305 18.2781 18.2781 20.2739 20.2739 21.6092 21.6092 22.7529 22.7529 k = 0.2526-0.4016-0.7786 ( 1745 PWs) bands (ev): -62.2011 -62.2011 -29.1688 -29.1688 -28.8959 -28.8959 -28.8627 -28.8627 -3.2620 -3.2620 -1.5493 -1.5493 4.3685 4.3685 5.4982 5.4982 6.2379 6.2379 7.7023 7.7023 8.5845 8.5845 10.6936 10.6936 18.2445 18.2445 20.3189 20.3189 21.6430 21.6430 22.6816 22.6816 k = 0.2571-0.4088-0.7925 ( 1747 PWs) bands (ev): -62.2009 -62.2009 -29.1693 -29.1693 -28.8965 -28.8965 -28.8631 -28.8631 -3.1727 -3.1727 -1.5571 -1.5571 4.2857 4.2857 5.5036 5.5036 6.2188 6.2188 7.6030 7.6030 8.6103 8.6103 10.6562 10.6562 18.2093 18.2093 20.3625 20.3625 21.6689 21.6689 22.6105 22.6105 k = 0.2616-0.4159-0.8064 ( 1751 PWs) bands (ev): -62.2008 -62.2008 -29.1697 -29.1697 -28.8970 -28.8970 -28.8634 -28.8634 -3.0845 -3.0845 -1.5675 -1.5675 4.2067 4.2067 5.5149 5.5149 6.1942 6.1942 7.5051 7.5051 8.6435 8.6435 10.6184 10.6184 18.1726 18.1726 20.4044 20.4044 21.6850 21.6850 22.5410 22.5410 k = 0.2661-0.4231-0.8203 ( 1751 PWs) bands (ev): -62.2007 -62.2007 -29.1701 -29.1701 -28.8975 -28.8975 -28.8637 -28.8637 -2.9976 -2.9976 -1.5805 -1.5805 4.1317 4.1317 5.5319 5.5319 6.1647 6.1647 7.4089 7.4089 8.6836 8.6836 10.5802 10.5802 18.1347 18.1347 20.4444 20.4444 21.6898 21.6898 22.4740 22.4740 k = 0.2707-0.4303-0.8342 ( 1751 PWs) bands (ev): -62.2006 -62.2006 -29.1704 -29.1704 -28.8980 -28.8980 -28.8640 -28.8640 -2.9121 -2.9121 -1.5960 -1.5960 4.0608 4.0608 5.5544 5.5544 6.1311 6.1311 7.3146 7.3146 8.7297 8.7297 10.5417 10.5417 18.0955 18.0955 20.4820 20.4820 21.6821 21.6821 22.4104 22.4104 k = 0.2752-0.4374-0.8481 ( 1755 PWs) bands (ev): -62.2005 -62.2005 -29.1708 -29.1708 -28.8984 -28.8984 -28.8643 -28.8643 -2.8285 -2.8285 -1.6140 -1.6140 3.9942 3.9942 5.5820 5.5820 6.0942 6.0942 7.2225 7.2225 8.7810 8.7810 10.5030 10.5030 18.0552 18.0552 20.5169 20.5169 21.6615 21.6615 22.3506 22.3506 k = 0.2797-0.4446-0.8620 ( 1756 PWs) bands (ev): -62.2004 -62.2004 -29.1710 -29.1710 -28.8988 -28.8988 -28.8646 -28.8646 -2.7468 -2.7468 -1.6342 -1.6342 3.9320 3.9320 5.6143 5.6143 6.0548 6.0548 7.1328 7.1328 8.8370 8.8370 10.4641 10.4641 18.0142 18.0142 20.5488 20.5488 21.6284 21.6284 22.2949 22.2949 k = 0.2842-0.4518-0.8759 ( 1756 PWs) bands (ev): -62.2003 -62.2003 -29.1713 -29.1713 -28.8991 -28.8991 -28.8649 -28.8649 -2.6673 -2.6673 -1.6567 -1.6567 3.8743 3.8743 5.6508 5.6508 6.0136 6.0136 7.0462 7.0462 8.8968 8.8968 10.4250 10.4250 17.9724 17.9724 20.5774 20.5774 21.5841 21.5841 22.2435 22.2435 k = 0.2887-0.4590-0.8898 ( 1756 PWs) bands (ev): -62.2002 -62.2002 -29.1715 -29.1715 -28.8994 -28.8994 -28.8651 -28.8651 -2.5903 -2.5903 -1.6812 -1.6812 3.8211 3.8211 5.6907 5.6907 5.9715 5.9715 6.9632 6.9632 8.9598 8.9598 10.3860 10.3860 17.9301 17.9301 20.6024 20.6024 21.5301 21.5301 22.1965 22.1965 k = 0.2932-0.4661-0.9037 ( 1752 PWs) bands (ev): -62.2001 -62.2001 -29.1717 -29.1717 -28.8997 -28.8997 -28.8653 -28.8653 -2.5160 -2.5160 -1.7077 -1.7077 3.7726 3.7726 5.7329 5.7329 5.9292 5.9292 6.8848 6.8848 9.0253 9.0253 10.3470 10.3470 17.8875 17.8875 20.6236 20.6236 21.4682 21.4682 22.1535 22.1535 k = 0.2977-0.4733-0.9176 ( 1750 PWs) bands (ev): -62.2000 -62.2000 -29.1719 -29.1719 -28.8999 -28.8999 -28.8656 -28.8656 -2.4447 -2.4447 -1.7359 -1.7359 3.7286 3.7286 5.7761 5.7761 5.8873 5.8873 6.8122 6.8122 9.0928 9.0928 10.3081 10.3081 17.8446 17.8446 20.6410 20.6410 21.4002 21.4002 22.1141 22.1141 k = 0.3022-0.4805-0.9315 ( 1748 PWs) bands (ev): -62.2000 -62.2000 -29.1720 -29.1720 -28.9000 -28.9000 -28.8657 -28.8657 -2.3765 -2.3765 -1.7657 -1.7657 3.6891 3.6891 5.8180 5.8180 5.8467 5.8467 6.7474 6.7474 9.1617 9.1617 10.2693 10.2693 17.8015 17.8015 20.6548 20.6548 21.3272 21.3272 22.0775 22.0775 k = 0.3067-0.4876-0.9454 ( 1746 PWs) bands (ev): -62.1999 -62.1999 -29.1721 -29.1721 -28.9002 -28.9002 -28.8659 -28.8659 -2.3117 -2.3117 -1.7970 -1.7970 3.6540 3.6540 5.8076 5.8076 5.8561 5.8561 6.6931 6.6931 9.2316 9.2316 10.2309 10.2309 17.7584 17.7584 20.6652 20.6652 21.2503 21.2503 22.0426 22.0426 k = 0.3113-0.4948-0.9593 ( 1746 PWs) bands (ev): -62.1999 -62.1999 -29.1722 -29.1722 -28.9003 -28.9003 -28.8661 -28.8661 -2.2505 -2.2505 -1.8297 -1.8297 3.6232 3.6232 5.7713 5.7713 5.8861 5.8861 6.6531 6.6531 9.3020 9.3020 10.1927 10.1927 17.7153 17.7153 20.6725 20.6725 21.1706 21.1706 22.0081 22.0081 k = 0.3158-0.5020-0.9732 ( 1744 PWs) bands (ev): -62.1999 -62.1999 -29.1723 -29.1723 -28.9004 -28.9004 -28.8662 -28.8662 -2.1929 -2.1929 -1.8635 -1.8635 3.5963 3.5963 5.7382 5.7382 5.9038 5.9038 6.6315 6.6315 9.3725 9.3725 10.1550 10.1550 17.6724 17.6724 20.6775 20.6775 21.0886 21.0886 21.9725 21.9725 k = 0.3203-0.5092-0.9871 ( 1742 PWs) bands (ev): -62.1998 -62.1998 -29.1723 -29.1723 -28.9005 -28.9005 -28.8663 -28.8663 -2.1392 -2.1392 -1.8983 -1.8983 3.5732 3.5732 5.7089 5.7089 5.9056 5.9056 6.6317 6.6317 9.4429 9.4429 10.1178 10.1178 17.6297 17.6297 20.6806 20.6806 21.0049 21.0049 21.9340 21.9340 k = 0.3248-0.5163-1.0010 ( 1738 PWs) bands (ev): -62.1998 -62.1998 -29.1723 -29.1723 -28.9005 -28.9005 -28.8663 -28.8663 -2.0894 -2.0894 -1.9340 -1.9340 3.5535 3.5535 5.6840 5.6840 5.8904 5.8904 6.6546 6.6546 9.5126 9.5126 10.0813 10.0813 17.5872 17.5872 20.6825 20.6825 20.9199 20.9199 21.8910 21.8910 k = 0.3293-0.5235-1.0149 ( 1740 PWs) bands (ev): -62.1998 -62.1998 -29.1724 -29.1724 -28.9005 -28.9005 -28.8664 -28.8664 -2.0437 -2.0437 -1.9703 -1.9703 3.5366 3.5366 5.6643 5.6643 5.8601 5.8601 6.6980 6.6980 9.5815 9.5815 10.0453 10.0453 17.5449 17.5449 20.6837 20.6837 20.8339 20.8339 21.8415 21.8415 k = 0.3338-0.5307-1.0288 ( 1740 PWs) bands (ev): -62.1998 -62.1998 -29.1724 -29.1724 -28.9005 -28.9005 -28.8664 -28.8664 -2.0076 -2.0076 -2.0016 -2.0016 3.5222 3.5222 5.6504 5.6504 5.8185 5.8185 6.7581 6.7581 9.6492 9.6492 10.0102 10.0102 17.5030 17.5030 20.6848 20.6848 20.7472 20.7472 21.7842 21.7842 k = 0.3383-0.5378-1.0427 ( 1742 PWs) bands (ev): -62.1998 -62.1998 -29.1724 -29.1724 -28.9005 -28.9005 -28.8664 -28.8664 -2.0446 -2.0446 -1.9642 -1.9642 3.5098 3.5098 5.6429 5.6429 5.7690 5.7690 6.8311 6.8311 9.7155 9.7155 9.9759 9.9759 17.4612 17.4612 20.6588 20.6588 20.6871 20.6871 21.7178 21.7178 k = 0.3428-0.5450-1.0566 ( 1740 PWs) bands (ev): -62.1998 -62.1998 -29.1723 -29.1723 -28.9005 -28.9005 -28.8663 -28.8663 -2.0822 -2.0822 -1.9305 -1.9305 3.4987 3.4987 5.6423 5.6423 5.7145 5.7145 6.9139 6.9139 9.7802 9.7802 9.9427 9.9427 17.4198 17.4198 20.5712 20.5712 20.6885 20.6885 21.6417 21.6417 k = 0.6572-0.4008-0.9687 ( 1740 PWs) bands (ev): -62.1998 -62.1998 -29.1723 -29.1723 -28.9005 -28.9005 -28.8663 -28.8663 -2.0822 -2.0822 -1.9305 -1.9305 3.4987 3.4987 5.6423 5.6423 5.7145 5.7145 6.9139 6.9139 9.7802 9.7802 9.9427 9.9427 17.4198 17.4198 20.5712 20.5712 20.6885 20.6885 21.6417 21.6417 k = 0.6527-0.3853-0.9687 ( 1738 PWs) bands (ev): -62.1998 -62.1998 -29.1723 -29.1723 -28.9005 -28.9005 -28.8662 -28.8662 -2.1198 -2.1198 -1.9008 -1.9008 3.4886 3.4886 5.6491 5.6491 5.6574 5.6574 7.0037 7.0037 9.8428 9.8428 9.9107 9.9107 17.3787 17.3787 20.4832 20.4832 20.6903 20.6903 21.5564 21.5564 k = 0.6482-0.3697-0.9687 ( 1742 PWs) bands (ev): -62.1999 -62.1999 -29.1723 -29.1723 -28.9005 -28.9005 -28.8661 -28.8661 -2.1575 -2.1575 -1.8750 -1.8750 3.4788 3.4788 5.5985 5.5985 5.6640 5.6640 7.0992 7.0992 9.8797 9.8797 9.9036 9.9036 17.3377 17.3377 20.3946 20.3946 20.6911 20.6911 21.4629 21.4629 k = 0.6437-0.3541-0.9687 ( 1740 PWs) bands (ev): -62.1999 -62.1999 -29.1722 -29.1722 -28.9004 -28.9004 -28.8660 -28.8660 -2.1950 -2.1950 -1.8527 -1.8527 3.4689 3.4689 5.5391 5.5391 5.6870 5.6870 7.1992 7.1992 9.8505 9.8505 9.9618 9.9618 17.2970 17.2970 20.3056 20.3056 20.6884 20.6884 21.3641 21.3641 k = 0.6392-0.3385-0.9687 ( 1748 PWs) bands (ev): -62.1999 -62.1999 -29.1722 -29.1722 -28.9004 -28.9004 -28.8658 -28.8658 -2.2323 -2.2323 -1.8339 -1.8339 3.4584 3.4584 5.4798 5.4798 5.7185 5.7185 7.3027 7.3027 9.8226 9.8226 10.0178 10.0178 17.2562 17.2562 20.2162 20.2162 20.6773 20.6773 21.2659 21.2659 k = 0.6347-0.3230-0.9687 ( 1746 PWs) bands (ev): -62.2000 -62.2000 -29.1722 -29.1722 -28.9003 -28.9003 -28.8656 -28.8656 -2.2694 -2.2694 -1.8184 -1.8184 3.4471 3.4471 5.4211 5.4211 5.7585 5.7585 7.4089 7.4089 9.7965 9.7965 10.0714 10.0714 17.2155 17.2155 20.1264 20.1264 20.6488 20.6488 21.1784 21.1784 k = 0.6302-0.3074-0.9687 ( 1742 PWs) bands (ev): -62.2000 -62.2000 -29.1721 -29.1721 -28.9003 -28.9003 -28.8653 -28.8653 -2.3060 -2.3060 -1.8060 -1.8060 3.4347 3.4347 5.3632 5.3632 5.8072 5.8072 7.5171 7.5171 9.7723 9.7723 10.1225 10.1225 17.1748 17.1748 20.0361 20.0361 20.5909 20.5909 21.1150 21.1150 k = 0.6257-0.2918-0.9687 ( 1746 PWs) bands (ev): -62.2000 -62.2000 -29.1720 -29.1720 -28.9002 -28.9002 -28.8650 -28.8650 -2.3421 -2.3421 -1.7964 -1.7964 3.4211 3.4211 5.3065 5.3065 5.8643 5.8643 7.6264 7.6264 9.7504 9.7504 10.1708 10.1708 17.1339 17.1339 19.9453 19.9453 20.4968 20.4968 21.0839 21.0839 k = 0.6212-0.2763-0.9687 ( 1748 PWs) bands (ev): -62.2001 -62.2001 -29.1720 -29.1720 -28.9002 -28.9002 -28.8647 -28.8647 -2.3776 -2.3776 -1.7895 -1.7895 3.4062 3.4062 5.2510 5.2510 5.9297 5.9297 7.7362 7.7362 9.7310 9.7310 10.2163 10.2163 17.0928 17.0928 19.8539 19.8539 20.3710 20.3710 21.0821 21.0821 k = 0.6168-0.2607-0.9687 ( 1750 PWs) bands (ev): -62.2001 -62.2001 -29.1719 -29.1719 -28.9002 -28.9002 -28.8643 -28.8643 -2.4124 -2.4124 -1.7850 -1.7850 3.3899 3.3899 5.1971 5.1971 6.0029 6.0029 7.8457 7.8457 9.7146 9.7146 10.2591 10.2591 17.0514 17.0514 19.7620 19.7620 20.2231 20.2231 21.1015 21.1015 k = 0.6123-0.2451-0.9687 ( 1750 PWs) bands (ev): -62.2002 -62.2002 -29.1719 -29.1719 -28.9002 -28.9002 -28.8639 -28.8639 -2.4465 -2.4465 -1.7826 -1.7826 3.3725 3.3725 5.1447 5.1447 6.0837 6.0837 7.9542 7.9542 9.7015 9.7015 10.2989 10.2989 17.0095 17.0095 19.6695 19.6695 20.0611 20.0611 21.1354 21.1354 k = 0.6078-0.2295-0.9687 ( 1750 PWs) bands (ev): -62.2002 -62.2002 -29.1718 -29.1718 -28.9001 -28.9001 -28.8635 -28.8635 -2.4798 -2.4798 -1.7822 -1.7822 3.3541 3.3541 5.0940 5.0940 6.1713 6.1713 8.0608 8.0608 9.6924 9.6924 10.3357 10.3357 16.9670 16.9670 19.5764 19.5764 19.8903 19.8903 21.1800 21.1800 k = 0.6033-0.2140-0.9687 ( 1752 PWs) bands (ev): -62.2003 -62.2003 -29.1718 -29.1718 -28.9001 -28.9001 -28.8630 -28.8630 -2.5121 -2.5121 -1.7835 -1.7835 3.3347 3.3347 5.0450 5.0450 6.2654 6.2654 8.1645 8.1645 9.6879 9.6879 10.3696 10.3696 16.9238 16.9238 19.4828 19.4828 19.7143 19.7143 21.2330 21.2330 k = 0.5988-0.1984-0.9687 ( 1754 PWs) bands (ev): -62.2004 -62.2004 -29.1717 -29.1717 -28.9001 -28.9001 -28.8626 -28.8626 -2.5435 -2.5435 -1.7863 -1.7863 3.3146 3.3146 4.9978 4.9978 6.3653 6.3653 8.2641 8.2641 9.6888 9.6888 10.4004 10.4004 16.8797 16.8797 19.3886 19.3886 19.5357 19.5357 21.2928 21.2928 k = 0.5943-0.1828-0.9687 ( 1750 PWs) bands (ev): -62.2004 -62.2004 -29.1717 -29.1717 -28.9001 -28.9001 -28.8621 -28.8621 -2.5739 -2.5739 -1.7904 -1.7904 3.2940 3.2940 4.9526 4.9526 6.4703 6.4703 8.3584 8.3584 9.6958 9.6958 10.4283 10.4283 16.8345 16.8345 19.2941 19.2941 19.3565 19.3565 21.3587 21.3587 k = 0.5898-0.1673-0.9687 ( 1746 PWs) bands (ev): -62.2005 -62.2005 -29.1716 -29.1716 -28.9001 -28.9001 -28.8615 -28.8615 -2.6032 -2.6032 -1.7955 -1.7955 3.2731 3.2731 4.9092 4.9092 6.5799 6.5799 8.4463 8.4463 9.7101 9.7101 10.4530 10.4530 16.7879 16.7879 19.1785 19.1785 19.1993 19.1993 21.4297 21.4297 k = 0.5853-0.1517-0.9687 ( 1740 PWs) bands (ev): -62.2005 -62.2005 -29.1716 -29.1716 -28.9001 -28.9001 -28.8610 -28.8610 -2.6313 -2.6313 -1.8016 -1.8016 3.2520 3.2520 4.8679 4.8679 6.6934 6.6934 8.5263 8.5263 9.7323 9.7323 10.4747 10.4747 16.7397 16.7397 19.0034 19.0034 19.1043 19.1043 21.5054 21.5054 k = 0.5808-0.1361-0.9687 ( 1742 PWs) bands (ev): -62.2006 -62.2006 -29.1715 -29.1715 -28.9002 -28.9002 -28.8605 -28.8605 -2.6583 -2.6583 -1.8083 -1.8083 3.2311 3.2311 4.8284 4.8284 6.8100 6.8100 8.5976 8.5976 9.7631 9.7631 10.4933 10.4933 16.6896 16.6896 18.8326 18.8326 19.0093 19.0093 21.5849 21.5849 k = 0.5763-0.1205-0.9687 ( 1742 PWs) bands (ev): -62.2006 -62.2006 -29.1715 -29.1715 -28.9002 -28.9002 -28.8600 -28.8600 -2.6840 -2.6840 -1.8156 -1.8156 3.2103 3.2103 4.7910 4.7910 6.9291 6.9291 8.6594 8.6594 9.8027 9.8027 10.5089 10.5089 16.6373 16.6373 18.6675 18.6675 18.9147 18.9147 21.6678 21.6678 k = 0.5718-0.1050-0.9687 ( 1742 PWs) bands (ev): -62.2007 -62.2007 -29.1715 -29.1715 -28.9002 -28.9002 -28.8595 -28.8595 -2.7085 -2.7085 -1.8233 -1.8233 3.1900 3.1900 4.7556 4.7556 7.0498 7.0498 8.7114 8.7114 9.8510 9.8510 10.5215 10.5215 16.5826 16.5826 18.5095 18.5095 18.8207 18.8207 21.7535 21.7535 k = 0.5674-0.0894-0.9687 ( 1744 PWs) bands (ev): -62.2007 -62.2007 -29.1714 -29.1714 -28.9003 -28.9003 -28.8590 -28.8590 -2.7317 -2.7317 -1.8311 -1.8311 3.1703 3.1703 4.7223 4.7223 7.1715 7.1715 8.7541 8.7541 9.9071 9.9071 10.5310 10.5310 16.5252 16.5252 18.3599 18.3599 18.7278 18.7278 21.8412 21.8412 k = 0.5629-0.0738-0.9687 ( 1744 PWs) bands (ev): -62.2008 -62.2008 -29.1714 -29.1714 -28.9003 -28.9003 -28.8585 -28.8585 -2.7535 -2.7535 -1.8391 -1.8391 3.1512 3.1512 4.6910 4.6910 7.2933 7.2933 8.7882 8.7882 9.9696 9.9696 10.5376 10.5376 16.4650 16.4650 18.2198 18.2198 18.6365 18.6365 21.9302 21.9302 k = 0.5584-0.0583-0.9687 ( 1742 PWs) bands (ev): -62.2008 -62.2008 -29.1714 -29.1714 -28.9004 -28.9004 -28.8580 -28.8580 -2.7740 -2.7740 -1.8470 -1.8470 3.1330 3.1330 4.6619 4.6619 7.4144 7.4144 8.8148 8.8148 10.0370 10.0370 10.5413 10.5413 16.4020 16.4020 18.0901 18.0901 18.5471 18.5471 22.0198 22.0198 k = 0.5539-0.0427-0.9687 ( 1744 PWs) bands (ev): -62.2009 -62.2009 -29.1714 -29.1714 -28.9004 -28.9004 -28.8575 -28.8575 -2.7930 -2.7930 -1.8548 -1.8548 3.1158 3.1158 4.6348 4.6348 7.5338 7.5338 8.8351 8.8351 10.1074 10.1074 10.5422 10.5422 16.3366 16.3366 17.9715 17.9715 18.4604 18.4604 22.1087 22.1087 k = 0.5494-0.0271-0.9687 ( 1744 PWs) bands (ev): -62.2009 -62.2009 -29.1714 -29.1714 -28.9005 -28.9005 -28.8571 -28.8571 -2.8107 -2.8107 -1.8623 -1.8623 3.0995 3.0995 4.6099 4.6099 7.6506 7.6506 8.8503 8.8503 10.1790 10.1790 10.5405 10.5405 16.2693 16.2693 17.8647 17.8647 18.3768 18.3768 22.1876 22.1876 k = 0.5449-0.0115-0.9687 ( 1744 PWs) bands (ev): -62.2010 -62.2010 -29.1713 -29.1713 -28.9005 -28.9005 -28.8566 -28.8566 -2.8269 -2.8269 -1.8695 -1.8695 3.0845 3.0845 4.5871 4.5871 7.7638 7.7638 8.8616 8.8616 10.2501 10.2501 10.5363 10.5363 16.2009 16.2009 17.7695 17.7695 18.2972 18.2972 22.1524 22.1524 k = 0.5404 0.0040-0.9687 ( 1742 PWs) bands (ev): -62.2010 -62.2010 -29.1713 -29.1713 -28.9006 -28.9006 -28.8562 -28.8562 -2.8415 -2.8415 -1.8762 -1.8762 3.0706 3.0706 4.5665 4.5665 7.8723 7.8723 8.8696 8.8696 10.3193 10.3193 10.5300 10.5300 16.1326 16.1326 17.6860 17.6860 18.2222 18.2222 22.1013 22.1013 k = 0.5359 0.0196-0.9687 ( 1746 PWs) bands (ev): -62.2010 -62.2010 -29.1713 -29.1713 -28.9006 -28.9006 -28.8559 -28.8559 -2.8548 -2.8548 -1.8824 -1.8824 3.0580 3.0580 4.5480 4.5480 7.9747 7.9747 8.8753 8.8753 10.3849 10.3849 10.5219 10.5219 16.0657 16.0657 17.6137 17.6137 18.1524 18.1524 22.0547 22.0547 k = 0.5314 0.0352-0.9687 ( 1744 PWs) bands (ev): -62.2011 -62.2011 -29.1713 -29.1713 -28.9007 -28.9007 -28.8556 -28.8556 -2.8664 -2.8664 -1.8881 -1.8881 3.0468 3.0468 4.5316 4.5316 8.0699 8.0699 8.8793 8.8793 10.4458 10.4458 10.5125 10.5125 16.0019 16.0019 17.5521 17.5521 18.0887 18.0887 22.0134 22.0134 k = 0.5269 0.0508-0.9687 ( 1744 PWs) bands (ev): -62.2011 -62.2011 -29.1713 -29.1713 -28.9007 -28.9007 -28.8553 -28.8553 -2.8766 -2.8766 -1.8931 -1.8931 3.0370 3.0370 4.5175 4.5175 8.1566 8.1566 8.8819 8.8819 10.4964 10.4964 10.5067 10.5067 15.9427 15.9427 17.5004 17.5004 18.0318 18.0318 21.9774 21.9774 k = 0.5225 0.0663-0.9687 ( 1746 PWs) bands (ev): -62.2011 -62.2011 -29.1713 -29.1713 -28.9007 -28.9007 -28.8550 -28.8550 -2.8852 -2.8852 -1.8974 -1.8974 3.0286 3.0286 4.5055 4.5055 8.2332 8.2332 8.8836 8.8836 10.4906 10.4906 10.5504 10.5504 15.8895 15.8895 17.4581 17.4581 17.9823 17.9823 21.9469 21.9469 k = 0.5180 0.0819-0.9687 ( 1738 PWs) bands (ev): -62.2011 -62.2011 -29.1713 -29.1713 -28.9007 -28.9007 -28.8548 -28.8548 -2.8923 -2.8923 -1.9009 -1.9009 3.0217 3.0217 4.4956 4.4956 8.2984 8.2984 8.8846 8.8846 10.4806 10.4806 10.5910 10.5910 15.8439 15.8439 17.4244 17.4244 17.9409 17.9409 21.9220 21.9220 k = 0.5135 0.0975-0.9687 ( 1740 PWs) bands (ev): -62.2011 -62.2011 -29.1713 -29.1713 -28.9008 -28.9008 -28.8547 -28.8547 -2.8978 -2.8978 -1.9038 -1.9038 3.0163 3.0163 4.4880 4.4880 8.3508 8.3508 8.8852 8.8852 10.4718 10.4718 10.6235 10.6235 15.8071 15.8071 17.3988 17.3988 17.9080 17.9080 21.9025 21.9025 k = 0.5090 0.1130-0.9687 ( 1742 PWs) bands (ev): -62.2012 -62.2012 -29.1713 -29.1713 -28.9008 -28.9008 -28.8546 -28.8546 -2.9017 -2.9017 -1.9058 -1.9058 3.0124 3.0124 4.4825 4.4825 8.3892 8.3892 8.8856 8.8856 10.4648 10.4648 10.6471 10.6471 15.7801 15.7801 17.3808 17.3808 17.8842 17.8842 21.8886 21.8886 k = 0.5045 0.1286-0.9687 ( 1746 PWs) bands (ev): -62.2012 -62.2012 -29.1713 -29.1713 -28.9008 -28.9008 -28.8545 -28.8545 -2.9041 -2.9041 -1.9070 -1.9070 3.0100 3.0100 4.4792 4.4792 8.4127 8.4127 8.8857 8.8857 10.4603 10.4603 10.6614 10.6614 15.7635 15.7635 17.3702 17.3702 17.8697 17.8697 21.8802 21.8802 k = 0.5000 0.1442-0.9687 ( 1746 PWs) bands (ev): -62.2012 -62.2012 -29.1713 -29.1713 -28.9008 -28.9008 -28.8545 -28.8545 -2.9049 -2.9049 -1.9074 -1.9074 3.0093 3.0093 4.4781 4.4781 8.4206 8.4206 8.8858 8.8858 10.4588 10.4588 10.6662 10.6662 15.7580 15.7580 17.3667 17.3667 17.8649 17.8649 21.8775 21.8775 k = 0.5000 0.1442-0.9687 ( 1746 PWs) bands (ev): -62.2012 -62.2012 -29.1713 -29.1713 -28.9008 -28.9008 -28.8545 -28.8545 -2.9049 -2.9049 -1.9074 -1.9074 3.0093 3.0093 4.4781 4.4781 8.4206 8.4206 8.8858 8.8858 10.4588 10.4588 10.6662 10.6662 15.7580 15.7580 17.3667 17.3667 17.8649 17.8649 21.8775 21.8775 k = 0.5131 0.1480-0.9614 ( 1748 PWs) bands (ev): -62.2012 -62.2012 -29.1713 -29.1713 -28.9008 -28.9008 -28.8545 -28.8545 -2.9051 -2.9051 -1.9080 -1.9080 3.0100 3.0100 4.4799 4.4799 8.4209 8.4209 8.8849 8.8849 10.4548 10.4548 10.6659 10.6659 15.7596 15.7596 17.3686 17.3686 17.8698 17.8698 21.8735 21.8735 k = 0.5262 0.1517-0.9541 ( 1742 PWs) bands (ev): -62.2012 -62.2012 -29.1713 -29.1713 -28.9008 -28.9008 -28.8545 -28.8545 -2.9056 -2.9056 -1.9097 -1.9097 3.0121 3.0121 4.4852 4.4852 8.4218 8.4218 8.8824 8.8824 10.4430 10.4430 10.6648 10.6648 15.7646 15.7646 17.3745 17.3745 17.8847 17.8847 21.8620 21.8620 k = 0.5393 0.1555-0.9468 ( 1744 PWs) bands (ev): -62.2012 -62.2012 -29.1713 -29.1713 -28.9008 -28.9008 -28.8545 -28.8545 -2.9064 -2.9064 -1.9125 -1.9125 3.0156 3.0156 4.4939 4.4939 8.4232 8.4232 8.8783 8.8783 10.4234 10.4234 10.6629 10.6629 15.7729 15.7729 17.3846 17.3846 17.9090 17.9090 21.8427 21.8427 k = 0.5524 0.1593-0.9395 ( 1744 PWs) bands (ev): -62.2012 -62.2012 -29.1712 -29.1712 -28.9008 -28.9008 -28.8545 -28.8545 -2.9077 -2.9077 -1.9163 -1.9163 3.0206 3.0206 4.5061 4.5061 8.4253 8.4253 8.8726 8.8726 10.3963 10.3963 10.6604 10.6604 15.7844 15.7844 17.3991 17.3991 17.9423 17.9423 21.8164 21.8164 k = 0.5655 0.1631-0.9321 ( 1746 PWs) bands (ev): -62.2012 -62.2012 -29.1712 -29.1712 -28.9007 -28.9007 -28.8545 -28.8545 -2.9094 -2.9094 -1.9210 -1.9210 3.0270 3.0270 4.5215 4.5215 8.4278 8.4278 8.8655 8.8655 10.3618 10.3618 10.6571 10.6571 15.7989 15.7989 17.4184 17.4184 17.9841 17.9841 21.7834 21.7834 k = 0.5786 0.1668-0.9248 ( 1744 PWs) bands (ev): -62.2012 -62.2012 -29.1712 -29.1712 -28.9007 -28.9007 -28.8545 -28.8545 -2.9116 -2.9116 -1.9265 -1.9265 3.0348 3.0348 4.5401 4.5401 8.4310 8.4310 8.8569 8.8569 10.3203 10.3203 10.6532 10.6532 15.8164 15.8164 17.4428 17.4428 18.0335 18.0335 21.7444 21.7444 k = 0.5917 0.1706-0.9175 ( 1744 PWs) bands (ev): -62.2012 -62.2012 -29.1712 -29.1712 -28.9007 -28.9007 -28.8544 -28.8544 -2.9144 -2.9144 -1.9328 -1.9328 3.0441 3.0441 4.5618 4.5618 8.4347 8.4347 8.8471 8.8471 10.2722 10.2722 10.6487 10.6487 15.8367 15.8367 17.4726 17.4726 18.0899 18.0899 21.6999 21.6999 k = 0.6048 0.1744-0.9102 ( 1744 PWs) bands (ev): -62.2012 -62.2012 -29.1711 -29.1711 -28.9006 -28.9006 -28.8544 -28.8544 -2.9179 -2.9179 -1.9395 -1.9395 3.0548 3.0548 4.5863 4.5863 8.4389 8.4389 8.8362 8.8362 10.2179 10.2179 10.6436 10.6436 15.8595 15.8595 17.5079 17.5079 18.1526 18.1526 21.6508 21.6508 k = 0.6179 0.1782-0.9029 ( 1741 PWs) bands (ev): -62.2012 -62.2012 -29.1711 -29.1711 -28.9006 -28.9006 -28.8544 -28.8544 -2.9222 -2.9222 -1.9467 -1.9467 3.0671 3.0671 4.6134 4.6134 8.4436 8.4436 8.8243 8.8243 10.1578 10.1578 10.6380 10.6380 15.8848 15.8848 17.5490 17.5490 18.2208 18.2208 21.5978 21.5978 k = 0.6310 0.1820-0.8955 ( 1740 PWs) bands (ev): -62.2012 -62.2012 -29.1710 -29.1710 -28.9005 -28.9005 -28.8544 -28.8544 -2.9273 -2.9273 -1.9540 -1.9540 3.0808 3.0808 4.6430 4.6430 8.4488 8.4488 8.8115 8.8115 10.0924 10.0924 10.6318 10.6318 15.9123 15.9123 17.5960 17.5960 18.2937 18.2937 21.5418 21.5418 k = 0.6441 0.1857-0.8882 ( 1740 PWs) bands (ev): -62.2012 -62.2012 -29.1710 -29.1710 -28.9004 -28.9004 -28.8544 -28.8544 -2.9335 -2.9335 -1.9613 -1.9613 3.0959 3.0959 4.6749 4.6749 8.4544 8.4544 8.7980 8.7980 10.0223 10.0223 10.6253 10.6253 15.9418 15.9418 17.6488 17.6488 18.3707 18.3707 21.4835 21.4835 k = 0.6572 0.1895-0.8809 ( 1738 PWs) bands (ev): -62.2012 -62.2012 -29.1709 -29.1709 -28.9004 -28.9004 -28.8544 -28.8544 -2.9407 -2.9407 -1.9684 -1.9684 3.1126 3.1126 4.7087 4.7087 8.4604 8.4604 8.7838 8.7838 9.9482 9.9482 10.6183 10.6183 15.9730 15.9730 17.7076 17.7076 18.4509 18.4509 21.4240 21.4240 k = 0.6572 0.1895-0.8809 ( 1738 PWs) bands (ev): -62.2012 -62.2012 -29.1709 -29.1709 -28.9004 -28.9004 -28.8544 -28.8544 -2.9407 -2.9407 -1.9684 -1.9684 3.1126 3.1126 4.7087 4.7087 8.4604 8.4604 8.7838 8.7838 9.9482 9.9482 10.6183 10.6183 15.9730 15.9730 17.7076 17.7076 18.4509 18.4509 21.4240 21.4240 k = 0.6546 0.1888-0.8650 ( 1736 PWs) bands (ev): -62.2013 -62.2013 -29.1707 -29.1707 -28.9001 -28.9001 -28.8544 -28.8544 -2.9792 -2.9792 -1.9636 -1.9636 3.1238 3.1238 4.7489 4.7489 8.4683 8.4683 8.8214 8.8214 9.9150 9.9150 10.6221 10.6221 15.9902 15.9902 17.6690 17.6690 18.4932 18.4932 21.4078 21.4078 k = 0.6520 0.1880-0.8491 ( 1739 PWs) bands (ev): -62.2014 -62.2014 -29.1704 -29.1704 -28.8998 -28.8998 -28.8544 -28.8544 -3.0267 -3.0267 -1.9572 -1.9572 3.1422 3.1422 4.7948 4.7948 8.4778 8.4778 8.8546 8.8546 9.8837 9.8837 10.6270 10.6270 16.0116 16.0116 17.6352 17.6352 18.5380 18.5380 21.3940 21.3940 k = 0.6494 0.1873-0.8332 ( 1735 PWs) bands (ev): -62.2014 -62.2014 -29.1701 -29.1701 -28.8994 -28.8994 -28.8544 -28.8544 -3.0818 -3.0818 -1.9505 -1.9505 3.1681 3.1681 4.8460 4.8460 8.4890 8.4890 8.8829 8.8829 9.8544 9.8544 10.6330 10.6330 16.0372 16.0372 17.6063 17.6063 18.5853 18.5853 21.3826 21.3826 k = 0.6469 0.1865-0.8174 ( 1736 PWs) bands (ev): -62.2015 -62.2015 -29.1697 -29.1697 -28.8989 -28.8989 -28.8544 -28.8544 -3.1430 -3.1430 -1.9448 -1.9448 3.2016 3.2016 4.9021 4.9021 8.5020 8.5020 8.9061 8.9061 9.8275 9.8275 10.6401 10.6401 16.0670 16.0670 17.5826 17.5826 18.6351 18.6351 21.3735 21.3735 k = 0.6443 0.1858-0.8015 ( 1736 PWs) bands (ev): -62.2016 -62.2016 -29.1693 -29.1693 -28.8984 -28.8984 -28.8543 -28.8543 -3.2094 -3.2094 -1.9410 -1.9410 3.2427 3.2427 4.9629 4.9629 8.5166 8.5166 8.9241 8.9241 9.8031 9.8031 10.6483 10.6483 16.1009 16.1009 17.5641 17.5641 18.6872 18.6872 21.3667 21.3667 k = 0.6417 0.1850-0.7856 ( 1736 PWs) bands (ev): -62.2017 -62.2017 -29.1688 -29.1688 -28.8978 -28.8978 -28.8543 -28.8543 -3.2797 -3.2797 -1.9399 -1.9399 3.2916 3.2916 5.0278 5.0278 8.5329 8.5329 8.9367 8.9367 9.7814 9.7814 10.6576 10.6576 16.1389 16.1389 17.5509 17.5509 18.7417 18.7417 21.3622 21.3622 k = 0.6391 0.1843-0.7697 ( 1736 PWs) bands (ev): -62.2019 -62.2019 -29.1683 -29.1683 -28.8972 -28.8972 -28.8543 -28.8543 -3.3533 -3.3533 -1.9419 -1.9419 3.3481 3.3481 5.0966 5.0966 8.5508 8.5508 8.9440 8.9440 9.7622 9.7622 10.6679 10.6679 16.1810 16.1810 17.5431 17.5431 18.7985 18.7985 21.3598 21.3598 k = 0.6366 0.1836-0.7538 ( 1738 PWs) bands (ev): -62.2020 -62.2020 -29.1677 -29.1677 -28.8965 -28.8965 -28.8543 -28.8543 -3.4294 -3.4294 -1.9474 -1.9474 3.4123 3.4123 5.1688 5.1688 8.5704 8.5704 8.9463 8.9463 9.7456 9.7456 10.6792 10.6792 16.2269 16.2269 17.5407 17.5407 18.8576 18.8576 21.3596 21.3596 k = 0.6340 0.1828-0.7380 ( 1742 PWs) bands (ev): -62.2022 -62.2022 -29.1671 -29.1671 -28.8958 -28.8958 -28.8542 -28.8542 -3.5075 -3.5075 -1.9567 -1.9567 3.4839 3.4839 5.2440 5.2440 8.5917 8.5917 8.9439 8.9439 9.7313 9.7313 10.6915 10.6915 16.2767 16.2767 17.5438 17.5438 18.9190 18.9190 21.3613 21.3613 k = 0.6314 0.1821-0.7221 ( 1744 PWs) bands (ev): -62.2023 -62.2023 -29.1665 -29.1665 -28.8950 -28.8950 -28.8542 -28.8542 -3.5871 -3.5871 -1.9696 -1.9696 3.5628 3.5628 5.3220 5.3220 8.6146 8.6146 8.9374 8.9374 9.7190 9.7190 10.7047 10.7047 16.3301 16.3301 17.5522 17.5522 18.9827 18.9827 21.3649 21.3649 k = 0.6288 0.1813-0.7062 ( 1751 PWs) bands (ev): -62.2025 -62.2025 -29.1659 -29.1659 -28.8942 -28.8942 -28.8542 -28.8542 -3.6678 -3.6678 -1.9863 -1.9863 3.6486 3.6486 5.4021 5.4021 8.6390 8.6390 8.9273 8.9273 9.7083 9.7083 10.7189 10.7189 16.3871 16.3871 17.5661 17.5661 19.0487 19.0487 21.3702 21.3702 k = 0.6262 0.1806-0.6903 ( 1749 PWs) bands (ev): -62.2027 -62.2027 -29.1652 -29.1652 -28.8933 -28.8933 -28.8541 -28.8541 -3.7491 -3.7491 -2.0066 -2.0066 3.7412 3.7412 5.4843 5.4843 8.6651 8.6651 8.9144 8.9144 9.6989 9.6989 10.7339 10.7339 16.4474 16.4474 17.5854 17.5854 19.1171 19.1171 21.3771 21.3771 k = 0.6237 0.1798-0.6744 ( 1751 PWs) bands (ev): -62.2029 -62.2029 -29.1644 -29.1644 -28.8924 -28.8924 -28.8540 -28.8540 -3.8310 -3.8310 -2.0303 -2.0303 3.8402 3.8402 5.5679 5.5679 8.6927 8.6927 8.8993 8.8993 9.6903 9.6903 10.7498 10.7498 16.5108 16.5108 17.6099 17.6099 19.1876 19.1876 21.3854 21.3854 k = 0.6211 0.1791-0.6585 ( 1748 PWs) bands (ev): -62.2031 -62.2031 -29.1636 -29.1636 -28.8914 -28.8914 -28.8540 -28.8540 -3.9129 -3.9129 -2.0571 -2.0571 3.9453 3.9453 5.6527 5.6527 8.7218 8.7218 8.8828 8.8828 9.6821 9.6821 10.7664 10.7664 16.5773 16.5773 17.6397 17.6397 19.2604 19.2604 21.3949 21.3949 k = 0.6185 0.1784-0.6427 ( 1748 PWs) bands (ev): -62.2033 -62.2033 -29.1628 -29.1628 -28.8903 -28.8903 -28.8539 -28.8539 -3.9948 -3.9948 -2.0870 -2.0870 4.0560 4.0560 5.7381 5.7381 8.7524 8.7524 8.8655 8.8655 9.6742 9.6742 10.7838 10.7838 16.6464 16.6464 17.6746 17.6746 19.3355 19.3355 21.4054 21.4054 k = 0.6159 0.1776-0.6268 ( 1744 PWs) bands (ev): -62.2035 -62.2035 -29.1620 -29.1620 -28.8892 -28.8892 -28.8538 -28.8538 -4.0765 -4.0765 -2.1195 -2.1195 4.1721 4.1721 5.8238 5.8238 8.7843 8.7843 8.8484 8.8484 9.6664 9.6664 10.8019 10.8019 16.7180 16.7180 17.7146 17.7146 19.4127 19.4127 21.4165 21.4165 k = 0.6134 0.1769-0.6109 ( 1744 PWs) bands (ev): -62.2037 -62.2037 -29.1612 -29.1612 -28.8881 -28.8881 -28.8537 -28.8537 -4.1577 -4.1577 -2.1545 -2.1545 4.2931 4.2931 5.9093 5.9093 8.8157 8.8157 8.8336 8.8336 9.6585 9.6585 10.8206 10.8206 16.7919 16.7919 17.7594 17.7594 19.4920 19.4920 21.4280 21.4280 k = 0.6108 0.1761-0.5950 ( 1743 PWs) bands (ev): -62.2039 -62.2039 -29.1603 -29.1603 -28.8870 -28.8870 -28.8536 -28.8536 -4.2383 -4.2383 -2.1916 -2.1916 4.4186 4.4186 5.9942 5.9942 8.8135 8.8135 8.8549 8.8549 9.6504 9.6504 10.8399 10.8399 16.8678 16.8678 17.8089 17.8089 19.5731 19.5731 21.4394 21.4394 k = 0.6082 0.1754-0.5791 ( 1743 PWs) bands (ev): -62.2041 -62.2041 -29.1594 -29.1594 -28.8858 -28.8858 -28.8535 -28.8535 -4.3182 -4.3182 -2.2306 -2.2306 4.5483 4.5483 6.0780 6.0780 8.7998 8.7998 8.8908 8.8908 9.6422 9.6422 10.8597 10.8597 16.9455 16.9455 17.8628 17.8628 19.6560 19.6560 21.4504 21.4504 k = 0.6056 0.1746-0.5633 ( 1741 PWs) bands (ev): -62.2044 -62.2044 -29.1585 -29.1585 -28.8846 -28.8846 -28.8533 -28.8533 -4.3972 -4.3972 -2.2712 -2.2712 4.6817 4.6817 6.1601 6.1601 8.7877 8.7877 8.9285 8.9285 9.6341 9.6341 10.8800 10.8800 17.0248 17.0248 17.9211 17.9211 19.7403 19.7403 21.4607 21.4607 k = 0.6031 0.1739-0.5474 ( 1741 PWs) bands (ev): -62.2046 -62.2046 -29.1576 -29.1576 -28.8833 -28.8833 -28.8532 -28.8532 -4.4752 -4.4752 -2.3132 -2.3132 4.8184 4.8184 6.2402 6.2402 8.7781 8.7781 8.9677 8.9677 9.6261 9.6261 10.9007 10.9007 17.1054 17.1054 17.9833 17.9833 19.8257 19.8257 21.4696 21.4696 k = 0.6005 0.1732-0.5315 ( 1741 PWs) bands (ev): -62.2049 -62.2049 -29.1567 -29.1567 -28.8821 -28.8821 -28.8530 -28.8530 -4.5522 -4.5522 -2.3563 -2.3563 4.9580 4.9580 6.3178 6.3178 8.7716 8.7716 9.0082 9.0082 9.6185 9.6185 10.9217 10.9217 17.1870 17.1870 18.0493 18.0493 19.9117 19.9117 21.4769 21.4769 k = 0.5979 0.1724-0.5156 ( 1741 PWs) bands (ev): -62.2051 -62.2051 -29.1558 -29.1558 -28.8808 -28.8808 -28.8528 -28.8528 -4.6279 -4.6279 -2.4003 -2.4003 5.1000 5.1000 6.3923 6.3923 8.7685 8.7685 9.0499 9.0499 9.6116 9.6116 10.9429 10.9429 17.2696 17.2696 18.1186 18.1186 19.9975 19.9975 21.4823 21.4823 k = 0.5953 0.1717-0.4997 ( 1745 PWs) bands (ev): -62.2054 -62.2054 -29.1549 -29.1549 -28.8796 -28.8796 -28.8526 -28.8526 -4.7024 -4.7024 -2.4450 -2.4450 5.2439 5.2439 6.4634 6.4634 8.7691 8.7691 9.0929 9.0929 9.6059 9.6059 10.9643 10.9643 17.3529 17.3529 18.1910 18.1910 20.0822 20.0822 21.4855 21.4855 k = 0.5928 0.1709-0.4839 ( 1745 PWs) bands (ev): -62.2056 -62.2056 -29.1539 -29.1539 -28.8783 -28.8783 -28.8524 -28.8524 -4.7755 -4.7755 -2.4901 -2.4901 5.3893 5.3893 6.5308 6.5308 8.7736 8.7736 9.1371 9.1371 9.6016 9.6016 10.9858 10.9858 17.4367 17.4367 18.2661 18.2661 20.1644 20.1644 21.4869 21.4869 k = 0.5902 0.1702-0.4680 ( 1750 PWs) bands (ev): -62.2059 -62.2059 -29.1530 -29.1530 -28.8770 -28.8770 -28.8522 -28.8522 -4.8472 -4.8472 -2.5356 -2.5356 5.5354 5.5354 6.5942 6.5942 8.7822 8.7822 9.1824 9.1824 9.5992 9.5992 11.0073 11.0073 17.5207 17.5207 18.3434 18.3434 20.2423 20.2423 21.4872 21.4872 k = 0.5876 0.1694-0.4521 ( 1748 PWs) bands (ev): -62.2062 -62.2062 -29.1521 -29.1521 -28.8757 -28.8757 -28.8519 -28.8519 -4.9174 -4.9174 -2.5812 -2.5812 5.6816 5.6816 6.6536 6.6536 8.7948 8.7948 9.2287 9.2287 9.5996 9.5996 11.0288 11.0288 17.6047 17.6047 18.4227 18.4227 20.3135 20.3135 21.4875 21.4875 k = 0.5850 0.1687-0.4362 ( 1747 PWs) bands (ev): -62.2064 -62.2064 -29.1512 -29.1512 -28.8745 -28.8745 -28.8516 -28.8516 -4.9861 -4.9861 -2.6267 -2.6267 5.8269 5.8269 6.7093 6.7093 8.8112 8.8112 9.2761 9.2761 9.6032 9.6032 11.0501 11.0501 17.6884 17.6884 18.5035 18.5035 20.3750 20.3750 21.4899 21.4899 k = 0.5824 0.1680-0.4203 ( 1749 PWs) bands (ev): -62.2067 -62.2067 -29.1503 -29.1503 -28.8732 -28.8732 -28.8512 -28.8512 -5.0531 -5.0531 -2.6720 -2.6720 5.9701 5.9701 6.7619 6.7619 8.8311 8.8311 9.3245 9.3245 9.6108 9.6108 11.0711 11.0711 17.7717 17.7717 18.5852 18.5852 20.4232 20.4232 21.4970 21.4970 k = 0.5799 0.1672-0.4045 ( 1749 PWs) bands (ev): -62.2069 -62.2069 -29.1494 -29.1494 -28.8720 -28.8720 -28.8508 -28.8508 -5.1185 -5.1185 -2.7170 -2.7170 6.1095 6.1095 6.8126 6.8126 8.8539 8.8539 9.3737 9.3737 9.6233 9.6233 11.0918 11.0918 17.8540 17.8540 18.6675 18.6675 20.4545 20.4545 21.5112 21.5112 k = 0.5773 0.1665-0.3886 ( 1749 PWs) bands (ev): -62.2072 -62.2072 -29.1486 -29.1486 -28.8709 -28.8709 -28.8504 -28.8504 -5.1821 -5.1821 -2.7615 -2.7615 6.2426 6.2426 6.8634 6.8634 8.8792 8.8792 9.4238 9.4238 9.6413 9.6413 11.1121 11.1121 17.9350 17.9350 18.7499 18.7499 20.4663 20.4663 21.5336 21.5336 k = 0.5747 0.1657-0.3727 ( 1749 PWs) bands (ev): -62.2075 -62.2075 -29.1477 -29.1477 -28.8697 -28.8697 -28.8499 -28.8499 -5.2440 -5.2440 -2.8055 -2.8055 6.3661 6.3661 6.9172 6.9172 8.9063 8.9063 9.4746 9.4746 9.6656 9.6656 11.1318 11.1318 18.0143 18.0143 18.8318 18.8318 20.4577 20.4577 21.5630 21.5630 k = 0.5721 0.1650-0.3568 ( 1753 PWs) bands (ev): -62.2077 -62.2077 -29.1469 -29.1469 -28.8687 -28.8687 -28.8494 -28.8494 -5.3042 -5.3042 -2.8487 -2.8487 6.4753 6.4753 6.9785 6.9785 8.9348 8.9348 9.5262 9.5262 9.6966 9.6966 11.1509 11.1509 18.0913 18.0913 18.9126 18.9126 20.4298 20.4298 21.5941 21.5941 k = 0.5696 0.1642-0.3409 ( 1757 PWs) bands (ev): -62.2080 -62.2080 -29.1461 -29.1461 -28.8677 -28.8677 -28.8488 -28.8488 -5.3624 -5.3624 -2.8912 -2.8912 6.5656 6.5656 7.0513 7.0513 8.9644 8.9644 9.5783 9.5783 9.7348 9.7348 11.1692 11.1692 18.1654 18.1654 18.9916 18.9916 20.3852 20.3852 21.6183 21.6183 k = 0.5670 0.1635-0.3250 ( 1759 PWs) bands (ev): -62.2082 -62.2082 -29.1453 -29.1453 -28.8667 -28.8667 -28.8482 -28.8482 -5.4188 -5.4188 -2.9327 -2.9327 6.6345 6.6345 7.1378 7.1378 8.9953 8.9953 9.6311 9.6311 9.7801 9.7801 11.1868 11.1868 18.2358 18.2358 19.0677 19.0677 20.3278 20.3278 21.6260 21.6260 k = 0.5644 0.1628-0.3092 ( 1757 PWs) bands (ev): -62.2085 -62.2085 -29.1445 -29.1445 -28.8658 -28.8658 -28.8475 -28.8475 -5.4733 -5.4733 -2.9733 -2.9733 6.6836 6.6836 7.2357 7.2357 9.0280 9.0280 9.6843 9.6843 9.8322 9.8322 11.2034 11.2034 18.3019 18.3019 19.1398 19.1398 20.2616 20.2616 21.6108 21.6108 k = 0.5618 0.1620-0.2933 ( 1757 PWs) bands (ev): -62.2087 -62.2087 -29.1437 -29.1437 -28.8650 -28.8650 -28.8468 -28.8468 -5.5259 -5.5259 -3.0128 -3.0128 6.7170 6.7170 7.3404 7.3404 9.0633 9.0633 9.7379 9.7379 9.8907 9.8907 11.2190 11.2190 18.3626 18.3626 19.2058 19.2058 20.1907 20.1907 21.5744 21.5744 k = 0.5593 0.1613-0.2774 ( 1755 PWs) bands (ev): -62.2090 -62.2090 -29.1430 -29.1430 -28.8642 -28.8642 -28.8460 -28.8460 -5.5765 -5.5765 -3.0511 -3.0511 6.7389 6.7389 7.4469 7.4469 9.1022 9.1022 9.7918 9.7918 9.9548 9.9548 11.2335 11.2335 18.4171 18.4171 19.2631 19.2631 20.1201 20.1201 21.5239 21.5239 k = 0.5567 0.1605-0.2615 ( 1759 PWs) bands (ev): -62.2092 -62.2092 -29.1423 -29.1423 -28.8636 -28.8636 -28.8452 -28.8452 -5.6251 -5.6251 -3.0883 -3.0883 6.7526 6.7526 7.5509 7.5509 9.1461 9.1461 9.8459 9.8459 10.0236 10.0236 11.2468 11.2468 18.4642 18.4642 19.3072 19.3072 20.0558 20.0558 21.4671 21.4671 k = 0.5541 0.1598-0.2456 ( 1761 PWs) bands (ev): -62.2094 -62.2094 -29.1416 -29.1416 -28.8629 -28.8629 -28.8444 -28.8444 -5.6717 -5.6717 -3.1241 -3.1241 6.7605 6.7605 7.6493 7.6493 9.1962 9.1962 9.9001 9.9001 10.0963 10.0963 11.2587 11.2587 18.5028 18.5028 19.3323 19.3323 20.0049 20.0049 21.4100 21.4100 k = 0.5515 0.1590-0.2298 ( 1761 PWs) bands (ev): -62.2097 -62.2097 -29.1410 -29.1410 -28.8624 -28.8624 -28.8435 -28.8435 -5.7163 -5.7163 -3.1587 -3.1587 6.7641 6.7641 7.7398 7.7398 9.2536 9.2536 9.9543 9.9543 10.1719 10.1719 11.2693 11.2693 18.5322 18.5322 19.3321 19.3321 19.9747 19.9747 21.3569 21.3569 k = 0.5490 0.1583-0.2139 ( 1762 PWs) bands (ev): -62.2099 -62.2099 -29.1403 -29.1403 -28.8619 -28.8619 -28.8426 -28.8426 -5.7588 -5.7588 -3.1918 -3.1918 6.7646 6.7646 7.8209 7.8209 9.3190 9.3190 10.0083 10.0083 10.2496 10.2496 11.2784 11.2784 18.5514 18.5514 19.3042 19.3042 19.9689 19.9689 21.3106 21.3106 k = 0.5464 0.1576-0.1980 ( 1762 PWs) bands (ev): -62.2101 -62.2101 -29.1397 -29.1397 -28.8614 -28.8614 -28.8417 -28.8417 -5.7993 -5.7993 -3.2236 -3.2236 6.7627 6.7627 7.8918 7.8918 9.3927 9.3927 10.0620 10.0620 10.3284 10.3284 11.2860 11.2860 18.5599 18.5599 19.2517 19.2517 19.9848 19.9848 21.2730 21.2730 k = 0.5438 0.1568-0.1821 ( 1762 PWs) bands (ev): -62.2103 -62.2103 -29.1392 -29.1392 -28.8610 -28.8610 -28.8408 -28.8408 -5.8376 -5.8376 -3.2538 -3.2538 6.7590 6.7590 7.9523 7.9523 9.4743 9.4743 10.1153 10.1153 10.4077 10.4077 11.2919 11.2919 18.5574 18.5574 19.1819 19.1819 20.0160 20.0160 21.2452 21.2452 k = 0.5412 0.1561-0.1662 ( 1768 PWs) bands (ev): -62.2105 -62.2105 -29.1386 -29.1386 -28.8606 -28.8606 -28.8400 -28.8400 -5.8738 -5.8738 -3.2825 -3.2825 6.7541 6.7541 8.0029 8.0029 9.5629 9.5629 10.1681 10.1681 10.4865 10.4865 11.2962 11.2962 18.5442 18.5442 19.1013 19.1013 20.0565 20.0565 21.2276 21.2276 k = 0.5386 0.1553-0.1504 ( 1767 PWs) bands (ev): -62.2107 -62.2107 -29.1381 -29.1381 -28.8603 -28.8603 -28.8391 -28.8391 -5.9079 -5.9079 -3.3097 -3.3097 6.7482 6.7482 8.0444 8.0444 9.6574 9.6574 10.2202 10.2202 10.5642 10.5642 11.2989 11.2989 18.5210 18.5210 19.0150 19.0150 20.1019 20.1019 21.2200 21.2200 k = 0.5361 0.1546-0.1345 ( 1764 PWs) bands (ev): -62.2108 -62.2108 -29.1376 -29.1376 -28.8600 -28.8600 -28.8383 -28.8383 -5.9399 -5.9399 -3.3352 -3.3352 6.7418 6.7418 8.0780 8.0780 9.7560 9.7560 10.2715 10.2715 10.6400 10.6400 11.2998 11.2998 18.4888 18.4888 18.9263 18.9263 20.1492 20.1492 21.2218 21.2218 k = 0.5335 0.1538-0.1186 ( 1766 PWs) bands (ev): -62.2110 -62.2110 -29.1372 -29.1372 -28.8597 -28.8597 -28.8374 -28.8374 -5.9697 -5.9697 -3.3591 -3.3591 6.7350 6.7350 8.1046 8.1046 9.8573 9.8573 10.3218 10.3218 10.7133 10.7133 11.2990 11.2990 18.4491 18.4491 18.8375 18.8375 20.1967 20.1967 21.2318 21.2318 k = 0.5309 0.1531-0.1027 ( 1770 PWs) bands (ev): -62.2111 -62.2111 -29.1368 -29.1368 -28.8595 -28.8595 -28.8367 -28.8367 -5.9974 -5.9974 -3.3814 -3.3814 6.7281 6.7281 8.1256 8.1256 9.9594 9.9594 10.3708 10.3708 10.7834 10.7834 11.2965 11.2965 18.4035 18.4035 18.7503 18.7503 20.2430 20.2430 21.2486 21.2486 k = 0.5283 0.1524-0.0868 ( 1772 PWs) bands (ev): -62.2113 -62.2113 -29.1364 -29.1364 -28.8593 -28.8593 -28.8360 -28.8360 -6.0229 -6.0229 -3.4020 -3.4020 6.7212 6.7212 8.1419 8.1419 10.0608 10.0608 10.4184 10.4184 10.8496 10.8496 11.2924 11.2924 18.3538 18.3538 18.6658 18.6658 20.2875 20.2875 21.2709 21.2709 k = 0.5258 0.1516-0.0709 ( 1776 PWs) bands (ev): -62.2114 -62.2114 -29.1361 -29.1361 -28.8592 -28.8592 -28.8353 -28.8353 -6.0462 -6.0462 -3.4209 -3.4209 6.7146 6.7146 8.1545 8.1545 10.1600 10.1600 10.4643 10.4643 10.9115 10.9115 11.2867 11.2867 18.3018 18.3018 18.5851 18.5851 20.3294 20.3294 21.2970 21.2970 k = 0.5232 0.1509-0.0551 ( 1774 PWs) bands (ev): -62.2115 -62.2115 -29.1358 -29.1358 -28.8590 -28.8590 -28.8346 -28.8346 -6.0673 -6.0673 -3.4380 -3.4380 6.7082 6.7082 8.1641 8.1641 10.2554 10.2554 10.5083 10.5083 10.9684 10.9684 11.2797 11.2797 18.2493 18.2493 18.5091 18.5091 20.3684 20.3684 21.3255 21.3255 k = 0.5206 0.1501-0.0392 ( 1781 PWs) bands (ev): -62.2116 -62.2116 -29.1355 -29.1355 -28.8589 -28.8589 -28.8341 -28.8341 -6.0862 -6.0862 -3.4534 -3.4534 6.7023 6.7023 8.1712 8.1712 10.3458 10.3458 10.5499 10.5499 11.0198 11.0198 11.2714 11.2714 18.1979 18.1979 18.4385 18.4385 20.4040 20.4040 21.3549 21.3549 k = 0.5180 0.1494-0.0233 ( 1785 PWs) bands (ev): -62.2117 -62.2117 -29.1353 -29.1353 -28.8588 -28.8588 -28.8336 -28.8336 -6.1029 -6.1029 -3.4670 -3.4670 6.6969 6.6969 8.1766 8.1766 10.4298 10.4298 10.5889 10.5889 11.0654 11.0654 11.2622 11.2622 18.1491 18.1491 18.3740 18.3740 20.4360 20.4360 21.3839 21.3839 k = 0.5155 0.1486-0.0074 ( 1787 PWs) bands (ev): -62.2118 -62.2118 -29.1351 -29.1351 -28.8587 -28.8587 -28.8332 -28.8332 -6.1173 -6.1173 -3.4788 -3.4788 6.6921 6.6921 8.1805 8.1805 10.5062 10.5062 10.6248 10.6248 11.1048 11.1048 11.2525 11.2525 18.1042 18.1042 18.3165 18.3165 20.4642 20.4642 21.4112 21.4112 k = 0.5129 0.1479 0.0085 ( 1792 PWs) bands (ev): -62.2119 -62.2119 -29.1349 -29.1349 -28.8586 -28.8586 -28.8328 -28.8328 -6.1296 -6.1296 -3.4888 -3.4888 6.6879 6.6879 8.1833 8.1833 10.5735 10.5735 10.6571 10.6571 11.1378 11.1378 11.2428 11.2428 18.0643 18.0643 18.2665 18.2665 20.4883 20.4883 21.4356 21.4356 k = 0.5103 0.1472 0.0243 ( 1794 PWs) bands (ev): -62.2119 -62.2119 -29.1348 -29.1348 -28.8585 -28.8585 -28.8325 -28.8325 -6.1396 -6.1396 -3.4970 -3.4970 6.6844 6.6844 8.1852 8.1852 10.6307 10.6307 10.6851 10.6851 11.1643 11.1643 11.2336 11.2336 18.0304 18.0304 18.2246 18.2246 20.5082 20.5082 21.4558 21.4558 k = 0.5077 0.1464 0.0402 ( 1796 PWs) bands (ev): -62.2120 -62.2120 -29.1347 -29.1347 -28.8585 -28.8585 -28.8322 -28.8322 -6.1474 -6.1474 -3.5034 -3.5034 6.6816 6.6816 8.1866 8.1866 10.6763 10.6763 10.7083 10.7083 11.1840 11.1840 11.2258 11.2258 18.0031 18.0031 18.1915 18.1915 20.5238 20.5238 21.4705 21.4705 k = 0.5052 0.1457 0.0561 ( 1794 PWs) bands (ev): -62.2120 -62.2120 -29.1346 -29.1346 -28.8584 -28.8584 -28.8320 -28.8320 -6.1530 -6.1530 -3.5080 -3.5080 6.6796 6.6796 8.1874 8.1874 10.7090 10.7090 10.7265 10.7265 11.1966 11.1966 11.2209 11.2209 17.9833 17.9833 18.1675 18.1675 20.5350 20.5350 21.4786 21.4786 k = 0.5026 0.1449 0.0720 ( 1802 PWs) bands (ev): -62.2120 -62.2120 -29.1346 -29.1346 -28.8585 -28.8585 -28.8319 -28.8319 -6.1564 -6.1564 -3.5108 -3.5108 6.6784 6.6784 8.1879 8.1879 10.7273 10.7273 10.7394 10.7394 11.2017 11.2017 11.2199 11.2199 17.9712 17.9712 18.1529 18.1529 20.5418 20.5418 21.4813 21.4813 k = 0.5000 0.1442 0.0879 ( 1810 PWs) bands (ev): -62.2121 -62.2121 -29.1346 -29.1346 -28.8585 -28.8585 -28.8320 -28.8320 -6.1575 -6.1575 -3.5117 -3.5117 6.6780 6.6780 8.1880 8.1880 10.7327 10.7327 10.7445 10.7445 11.2025 11.2025 11.2204 11.2204 17.9671 17.9671 18.1481 18.1481 20.5440 20.5440 21.4816 21.4816 k = 0.5000-0.7949-0.4844 ( 1714 PWs) bands (ev): -62.2011 -62.2011 -29.1712 -29.1712 -28.9007 -28.9007 -28.8543 -28.8543 -2.8707 -2.8707 -2.0885 -2.0885 3.5828 3.5828 4.9906 4.9906 8.1249 8.1249 8.5315 8.5315 8.7619 8.7619 10.4541 10.4541 16.4515 16.4515 19.2386 19.2386 20.5558 20.5558 21.0967 21.0967 k = 0.5143-0.7883-0.4804 ( 1718 PWs) bands (ev): -62.2011 -62.2011 -29.1712 -29.1712 -28.9007 -28.9007 -28.8543 -28.8543 -2.8708 -2.8708 -2.0882 -2.0882 3.5808 3.5808 4.9902 4.9902 8.1261 8.1261 8.5313 8.5313 8.7661 8.7661 10.4546 10.4546 16.4499 16.4499 19.2383 19.2383 20.5364 20.5364 21.0948 21.0948 k = 0.5286-0.7818-0.4764 ( 1718 PWs) bands (ev): -62.2011 -62.2011 -29.1712 -29.1712 -28.9007 -28.9007 -28.8543 -28.8543 -2.8711 -2.8711 -2.0874 -2.0874 3.5747 3.5747 4.9887 4.9887 8.1299 8.1299 8.5305 8.5305 8.7786 8.7786 10.4561 10.4561 16.4454 16.4454 19.2371 19.2371 20.4805 20.4805 21.0888 21.0888 k = 0.5429-0.7752-0.4724 ( 1720 PWs) bands (ev): -62.2011 -62.2011 -29.1712 -29.1712 -28.9007 -28.9007 -28.8543 -28.8543 -2.8715 -2.8715 -2.0860 -2.0860 3.5647 3.5647 4.9863 4.9863 8.1364 8.1364 8.5294 8.5294 8.7991 8.7991 10.4585 10.4585 16.4378 16.4378 19.2347 19.2347 20.3933 20.3933 21.0790 21.0790 k = 0.5572-0.7686-0.4684 ( 1720 PWs) bands (ev): -62.2011 -62.2011 -29.1712 -29.1712 -28.9007 -28.9007 -28.8543 -28.8543 -2.8722 -2.8722 -2.0840 -2.0840 3.5510 3.5510 4.9827 4.9827 8.1459 8.1459 8.5278 8.5278 8.8272 8.8272 10.4619 10.4619 16.4274 16.4274 19.2306 19.2306 20.2817 20.2817 21.0657 21.0657 k = 0.5714-0.7621-0.4644 ( 1728 PWs) bands (ev): -62.2012 -62.2012 -29.1712 -29.1712 -28.9007 -28.9007 -28.8543 -28.8543 -2.8730 -2.8730 -2.0814 -2.0814 3.5340 3.5340 4.9779 4.9779 8.1587 8.1587 8.5257 8.5257 8.8622 8.8622 10.4662 10.4662 16.4143 16.4143 19.2238 19.2238 20.1518 20.1518 21.0502 21.0502 k = 0.5857-0.7555-0.4604 ( 1728 PWs) bands (ev): -62.2012 -62.2012 -29.1712 -29.1712 -28.9007 -28.9007 -28.8543 -28.8543 -2.8741 -2.8741 -2.0783 -2.0783 3.5140 3.5140 4.9718 4.9718 8.1750 8.1750 8.5233 8.5233 8.9035 8.9035 10.4713 10.4713 16.3986 16.3986 19.2135 19.2135 20.0093 20.0093 21.0338 21.0338 k = 0.6000-0.7490-0.4564 ( 1733 PWs) bands (ev): -62.2012 -62.2012 -29.1712 -29.1712 -28.9007 -28.9007 -28.8544 -28.8544 -2.8754 -2.8754 -2.0747 -2.0747 3.4914 3.4914 4.9642 4.9642 8.1950 8.1950 8.5205 8.5205 8.9505 8.9505 10.4773 10.4773 16.3806 16.3806 19.1983 19.1983 19.8587 19.8587 21.0184 21.0184 k = 0.6143-0.7424-0.4524 ( 1735 PWs) bands (ev): -62.2012 -62.2012 -29.1712 -29.1712 -28.9007 -28.9007 -28.8544 -28.8544 -2.8770 -2.8770 -2.0705 -2.0705 3.4666 3.4666 4.9550 4.9550 8.2189 8.2189 8.5174 8.5174 9.0024 9.0024 10.4840 10.4840 16.3605 16.3605 19.1767 19.1767 19.7040 19.7040 21.0056 21.0056 k = 0.6286-0.7359-0.4484 ( 1740 PWs) bands (ev): -62.2012 -62.2012 -29.1712 -29.1712 -28.9007 -28.9007 -28.8544 -28.8544 -2.8788 -2.8788 -2.0659 -2.0659 3.4401 3.4401 4.9443 4.9443 8.2465 8.2465 8.5139 8.5139 9.0587 9.0587 10.4915 10.4915 16.3384 16.3384 19.1462 19.1462 19.5493 19.5493 20.9969 20.9969 k = 0.6429-0.7293-0.4444 ( 1740 PWs) bands (ev): -62.2012 -62.2012 -29.1712 -29.1712 -28.9007 -28.9007 -28.8544 -28.8544 -2.8810 -2.8810 -2.0607 -2.0607 3.4124 3.4124 4.9319 4.9319 8.2779 8.2779 8.5102 8.5102 9.1188 9.1188 10.4996 10.4996 16.3146 16.3146 19.1027 19.1027 19.4003 19.4003 20.9937 20.9937 k = 0.6572-0.7228-0.4404 ( 1740 PWs) bands (ev): -62.2012 -62.2012 -29.1712 -29.1712 -28.9007 -28.9007 -28.8544 -28.8544 -2.8835 -2.8835 -2.0551 -2.0551 3.3837 3.3837 4.9180 4.9180 8.3127 8.3127 8.5064 8.5064 9.1820 9.1820 10.5083 10.5083 16.2894 16.2894 19.0376 19.0376 19.2669 19.2669 20.9969 20.9969 k = 0.6715-0.7162-0.4364 ( 1742 PWs) bands (ev): -62.2012 -62.2012 -29.1712 -29.1712 -28.9007 -28.9007 -28.8544 -28.8544 -2.8863 -2.8863 -2.0490 -2.0490 3.3547 3.3547 4.9027 4.9027 8.3507 8.3507 8.5023 8.5023 9.2479 9.2479 10.5175 10.5175 16.2630 16.2630 18.9398 18.9398 19.1613 19.1613 21.0071 21.0071 k = 0.6857-0.7097-0.4325 ( 1740 PWs) bands (ev): -62.2012 -62.2012 -29.1711 -29.1711 -28.9007 -28.9007 -28.8544 -28.8544 -2.8895 -2.8895 -2.0425 -2.0425 3.3255 3.3255 4.8860 4.8860 8.3912 8.3912 8.4983 8.4983 9.3159 9.3159 10.5271 10.5271 16.2354 16.2354 18.8135 18.8135 19.0810 19.0810 21.0245 21.0245 k = 0.7000-0.7031-0.4285 ( 1746 PWs) bands (ev): -62.2012 -62.2012 -29.1711 -29.1711 -28.9007 -28.9007 -28.8544 -28.8544 -2.8932 -2.8932 -2.0356 -2.0356 3.2967 3.2967 4.8682 4.8682 8.4337 8.4337 8.4944 8.4944 9.3855 9.3855 10.5371 10.5371 16.2070 16.2070 18.6745 18.6745 19.0114 19.0114 21.0491 21.0491 k = 0.7143-0.6966-0.4245 ( 1744 PWs) bands (ev): -62.2012 -62.2012 -29.1711 -29.1711 -28.9006 -28.9006 -28.8544 -28.8544 -2.8973 -2.8973 -2.0282 -2.0282 3.2686 3.2686 4.8494 4.8494 8.4747 8.4747 8.4936 8.4936 9.4563 9.4563 10.5472 10.5472 16.1780 16.1780 18.5334 18.5334 18.9441 18.9441 21.0804 21.0804 k = 0.7286-0.6900-0.4205 ( 1745 PWs) bands (ev): -62.2012 -62.2012 -29.1711 -29.1711 -28.9006 -28.9006 -28.8544 -28.8544 -2.9019 -2.9019 -2.0206 -2.0206 3.2414 3.2414 4.8298 4.8298 8.4829 8.4829 8.5268 8.5268 9.5279 9.5279 10.5576 10.5576 16.1485 16.1485 18.3947 18.3947 18.8759 18.8759 21.1177 21.1177 k = 0.7429-0.6834-0.4165 ( 1750 PWs) bands (ev): -62.2012 -62.2012 -29.1711 -29.1711 -28.9006 -28.9006 -28.8544 -28.8544 -2.9069 -2.9069 -2.0125 -2.0125 3.2154 3.2154 4.8097 4.8097 8.4794 8.4794 8.5720 8.5720 9.5997 9.5997 10.5680 10.5680 16.1187 16.1187 18.2610 18.2610 18.8061 18.8061 21.1604 21.1604 k = 0.7572-0.6769-0.4125 ( 1748 PWs) bands (ev): -62.2012 -62.2012 -29.1711 -29.1711 -28.9005 -28.9005 -28.8544 -28.8544 -2.9125 -2.9125 -2.0042 -2.0042 3.1910 3.1910 4.7892 4.7892 8.4754 8.4754 8.6176 8.6176 9.6714 9.6714 10.5784 10.5784 16.0888 16.0888 18.1337 18.1337 18.7351 18.7351 21.2076 21.2076 k = 0.7715-0.6703-0.4085 ( 1745 PWs) bands (ev): -62.2012 -62.2012 -29.1710 -29.1710 -28.9005 -28.9005 -28.8544 -28.8544 -2.9187 -2.9187 -1.9956 -1.9956 3.1683 3.1683 4.7687 4.7687 8.4714 8.4714 8.6624 8.6624 9.7425 9.7425 10.5887 10.5887 16.0590 16.0590 18.0141 18.0141 18.6633 18.6633 21.2584 21.2584 k = 0.7858-0.6638-0.4045 ( 1742 PWs) bands (ev): -62.2012 -62.2012 -29.1710 -29.1710 -28.9005 -28.9005 -28.8544 -28.8544 -2.9255 -2.9255 -1.9867 -1.9867 3.1475 3.1475 4.7482 4.7482 8.4676 8.4676 8.7055 8.7055 9.8126 9.8126 10.5989 10.5989 16.0296 16.0296 17.9027 17.9027 18.5915 18.5915 21.3120 21.3120 k = 0.8000-0.6572-0.4005 ( 1742 PWs) bands (ev): -62.2012 -62.2012 -29.1709 -29.1709 -28.9004 -28.9004 -28.8544 -28.8544 -2.9328 -2.9328 -1.9777 -1.9777 3.1289 3.1289 4.7282 4.7282 8.4639 8.4639 8.7462 8.7462 9.8813 9.8813 10.6088 10.6088 16.0008 16.0008 17.8003 17.8003 18.5204 18.5204 21.3674 21.3674 k = 0.8143-0.6507-0.3965 ( 1738 PWs) bands (ev): -62.2012 -62.2012 -29.1709 -29.1709 -28.9004 -28.9004 -28.8544 -28.8544 -2.9407 -2.9407 -1.9684 -1.9684 3.1126 3.1126 4.7087 4.7087 8.4604 8.4604 8.7838 8.7838 9.9482 9.9482 10.6183 10.6183 15.9730 15.9730 17.7076 17.7076 18.4509 18.4509 21.4240 21.4240 Writing output data file MgSiN2.save init_run : 0.22s CPU 0.36s WALL ( 1 calls) electrons : 87.00s CPU 88.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 87.00s CPU 88.64s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 425 calls) cegterg : 79.28s CPU 80.55s WALL ( 480 calls) Called by sum_band: Called by *egterg: h_psi : 55.87s CPU 56.65s WALL ( 8084 calls) s_psi : 0.87s CPU 1.01s WALL ( 8084 calls) g_psi : 0.04s CPU 0.06s WALL ( 7179 calls) cdiaghg : 24.86s CPU 25.35s WALL ( 7604 calls) cegterg:over : 1.58s CPU 1.65s WALL ( 7179 calls) cegterg:upda : 1.16s CPU 1.18s WALL ( 7179 calls) cegterg:last : 0.70s CPU 0.71s WALL ( 1330 calls) cdiaghg:chol : 1.29s CPU 1.27s WALL ( 7604 calls) cdiaghg:inve : 0.56s CPU 0.55s WALL ( 7604 calls) cdiaghg:para : 1.38s CPU 1.53s WALL ( 15208 calls) Called by h_psi: h_psi:vloc : 53.14s CPU 53.92s WALL ( 8084 calls) h_psi:vnl : 2.68s CPU 2.69s WALL ( 8084 calls) add_vuspsi : 1.36s CPU 1.28s WALL ( 8084 calls) General routines calbec : 1.30s CPU 1.39s WALL ( 8084 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 49.28s CPU 50.26s WALL ( 511528 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.10s WALL ( 850 calls) Parallel routines fft_scatter : 14.53s CPU 14.83s WALL ( 511551 calls) PWSCF : 1m38.13s CPU 2m 3.99s WALL This run was terminated on: 20:13:23 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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