Program PWSCF v.5.1.1 starts on 8Oct2015 at 0:41:47 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaNO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 29 8 765 570 89 Max 36 30 9 768 588 92 Sum 1709 1415 415 36797 27683 4349 bravais-lattice index = 14 lattice parameter (alat) = 8.1634 a.u. unit-cell volume = 373.6721 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.163365 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.652756 celldm(5)= -0.233103 celldm(6)= -0.114140 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.114140 0.993465 0.000000 ) a(3) = ( -0.233103 -0.683832 0.691402 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.114891 0.450779 ) b(2) = ( 0.000000 1.006578 0.995558 ) b(3) = ( 0.000000 0.000000 1.446337 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Na read from file: /home/autes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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. # 3 for N read from file: /home/autes/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 O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) N 5.00 14.00670 N( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 450 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 2) = ( -0.0057049 0.0050870 0.0113590), wk = 0.0022222 k( 3) = ( -0.0114097 0.0101739 0.0227180), wk = 0.0022222 k( 4) = ( -0.0171146 0.0152608 0.0340771), wk = 0.0022222 k( 5) = ( -0.0228194 0.0203478 0.0454361), wk = 0.0022222 k( 6) = ( -0.0285243 0.0254347 0.0567951), wk = 0.0022222 k( 7) = ( -0.0342291 0.0305217 0.0681542), wk = 0.0022222 k( 8) = ( -0.0399340 0.0356086 0.0795132), wk = 0.0022222 k( 9) = ( -0.0456389 0.0406956 0.0908722), wk = 0.0022222 k( 10) = ( -0.0513437 0.0457825 0.1022312), wk = 0.0022222 k( 11) = ( -0.0570486 0.0508695 0.1135902), wk = 0.0022222 k( 12) = ( -0.0627534 0.0559564 0.1249493), wk = 0.0022222 k( 13) = ( -0.0684583 0.0610434 0.1363083), wk = 0.0022222 k( 14) = ( -0.0741631 0.0661303 0.1476673), wk = 0.0022222 k( 15) = ( -0.0798680 0.0712173 0.1590263), wk = 0.0022222 k( 16) = ( -0.0855728 0.0763042 0.1703854), wk = 0.0022222 k( 17) = ( -0.0912777 0.0813912 0.1817444), wk = 0.0022222 k( 18) = ( -0.0969826 0.0864781 0.1931034), wk = 0.0022222 k( 19) = ( -0.1026874 0.0915651 0.2044624), wk = 0.0022222 k( 20) = ( -0.1083923 0.0966520 0.2158215), wk = 0.0022222 k( 21) = ( -0.1140971 0.1017389 0.2271805), wk = 0.0022222 k( 22) = ( -0.1198020 0.1068259 0.2385395), wk = 0.0022222 k( 23) = ( -0.1255068 0.1119128 0.2498985), wk = 0.0022222 k( 24) = ( -0.1312117 0.1169998 0.2612576), wk = 0.0022222 k( 25) = ( -0.1369165 0.1220867 0.2726166), wk = 0.0022222 k( 26) = ( -0.1426214 0.1271737 0.2839756), wk = 0.0022222 k( 27) = ( -0.1483263 0.1322606 0.2953346), wk = 0.0022222 k( 28) = ( -0.1540311 0.1373476 0.3066937), wk = 0.0022222 k( 29) = ( -0.1597360 0.1424345 0.3180527), wk = 0.0022222 k( 30) = ( -0.1654408 0.1475215 0.3294117), wk = 0.0022222 k( 31) = ( -0.1711457 0.1526084 0.3407707), wk = 0.0022222 k( 32) = ( -0.1768505 0.1576954 0.3521298), wk = 0.0022222 k( 33) = ( -0.1825554 0.1627823 0.3634888), wk = 0.0022222 k( 34) = ( -0.1882602 0.1678693 0.3748478), wk = 0.0022222 k( 35) = ( -0.1939651 0.1729562 0.3862068), wk = 0.0022222 k( 36) = ( -0.1996700 0.1780432 0.3975659), wk = 0.0022222 k( 37) = ( -0.2053748 0.1831301 0.4089249), wk = 0.0022222 k( 38) = ( -0.2110797 0.1882170 0.4202839), wk = 0.0022222 k( 39) = ( -0.2167845 0.1933040 0.4316429), wk = 0.0022222 k( 40) = ( -0.2224894 0.1983909 0.4430020), wk = 0.0022222 k( 41) = ( -0.2281942 0.2034779 0.4543610), wk = 0.0022222 k( 42) = ( -0.2338991 0.2085648 0.4657200), wk = 0.0022222 k( 43) = ( -0.2396040 0.2136518 0.4770790), wk = 0.0022222 k( 44) = ( -0.2453088 0.2187387 0.4884381), wk = 0.0022222 k( 45) = ( -0.2510137 0.2238257 0.4997971), wk = 0.0022222 k( 46) = ( -0.2567185 0.2289126 0.5111561), wk = 0.0022222 k( 47) = ( -0.2624234 0.2339996 0.5225151), wk = 0.0022222 k( 48) = ( -0.2681282 0.2390865 0.5338741), wk = 0.0022222 k( 49) = ( -0.2738331 0.2441735 0.5452332), wk = 0.0022222 k( 50) = ( -0.2795379 0.2492604 0.5565922), wk = 0.0022222 k( 51) = ( -0.2852428 0.2543474 0.5679512), wk = 0.0022222 k( 52) = ( -0.2909477 0.2594343 0.5793103), wk = 0.0022222 k( 53) = ( -0.2966525 0.2645213 0.5906693), wk = 0.0022222 k( 54) = ( -0.3023574 0.2696082 0.6020283), wk = 0.0022222 k( 55) = ( -0.3080622 0.2746952 0.6133873), wk = 0.0022222 k( 56) = ( -0.3137671 0.2797821 0.6247463), wk = 0.0022222 k( 57) = ( -0.3194719 0.2848690 0.6361054), wk = 0.0022222 k( 58) = ( -0.3251768 0.2899560 0.6474644), wk = 0.0022222 k( 59) = ( -0.3308817 0.2950429 0.6588234), wk = 0.0022222 k( 60) = ( -0.3365865 0.3001299 0.6701824), wk = 0.0022222 k( 61) = ( -0.3422914 0.3052168 0.6815415), wk = 0.0022222 k( 62) = ( -0.3479962 0.3103038 0.6929005), wk = 0.0022222 k( 63) = ( -0.3479962 0.3103038 0.6929005), wk = 0.0022222 k( 64) = ( -0.3396030 0.3028197 0.7004674), wk = 0.0022222 k( 65) = ( -0.3312098 0.2953356 0.7080344), wk = 0.0022222 k( 66) = ( -0.3228166 0.2878515 0.7156014), wk = 0.0022222 k( 67) = ( -0.3144234 0.2803674 0.7231683), wk = 0.0022222 k( 68) = ( -0.3144234 0.2803674 0.7231683), wk = 0.0022222 k( 69) = ( -0.3042807 0.2713233 0.7231683), wk = 0.0022222 k( 70) = ( -0.2941381 0.2622792 0.7231683), wk = 0.0022222 k( 71) = ( -0.2839954 0.2532350 0.7231683), wk = 0.0022222 k( 72) = ( -0.2738527 0.2441909 0.7231683), wk = 0.0022222 k( 73) = ( -0.2637100 0.2351468 0.7231683), wk = 0.0022222 k( 74) = ( -0.2535673 0.2261027 0.7231683), wk = 0.0022222 k( 75) = ( -0.2434246 0.2170586 0.7231683), wk = 0.0022222 k( 76) = ( -0.2332819 0.2080145 0.7231683), wk = 0.0022222 k( 77) = ( -0.2231392 0.1989704 0.7231683), wk = 0.0022222 k( 78) = ( -0.2129965 0.1899263 0.7231683), wk = 0.0022222 k( 79) = ( -0.2028538 0.1808822 0.7231683), wk = 0.0022222 k( 80) = ( -0.1927111 0.1718381 0.7231683), wk = 0.0022222 k( 81) = ( -0.1825684 0.1627940 0.7231683), wk = 0.0022222 k( 82) = ( -0.1724258 0.1537498 0.7231683), wk = 0.0022222 k( 83) = ( -0.1622831 0.1447057 0.7231683), wk = 0.0022222 k( 84) = ( -0.1521404 0.1356616 0.7231683), wk = 0.0022222 k( 85) = ( -0.1419977 0.1266175 0.7231683), wk = 0.0022222 k( 86) = ( -0.1318550 0.1175734 0.7231683), wk = 0.0022222 k( 87) = ( -0.1217123 0.1085293 0.7231683), wk = 0.0022222 k( 88) = ( -0.1115696 0.0994852 0.7231683), wk = 0.0022222 k( 89) = ( -0.1014269 0.0904411 0.7231683), wk = 0.0022222 k( 90) = ( -0.0912842 0.0813970 0.7231683), wk = 0.0022222 k( 91) = ( -0.0811415 0.0723529 0.7231683), wk = 0.0022222 k( 92) = ( -0.0709988 0.0633088 0.7231683), wk = 0.0022222 k( 93) = ( -0.0608561 0.0542647 0.7231683), wk = 0.0022222 k( 94) = ( -0.0507135 0.0452205 0.7231683), wk = 0.0022222 k( 95) = ( -0.0405708 0.0361764 0.7231683), wk = 0.0022222 k( 96) = ( -0.0304281 0.0271323 0.7231683), wk = 0.0022222 k( 97) = ( -0.0202854 0.0180882 0.7231683), wk = 0.0022222 k( 98) = ( -0.0101427 0.0090441 0.7231683), wk = 0.0022222 k( 99) = ( 0.0000000 0.0000000 0.7231683), wk = 0.0022222 k( 100) = ( 0.0000000 0.0000000 0.7231683), wk = 0.0022222 k( 101) = ( 0.0089286 0.0100131 0.7231683), wk = 0.0022222 k( 102) = ( 0.0178571 0.0200262 0.7231683), wk = 0.0022222 k( 103) = ( 0.0267857 0.0300394 0.7231683), wk = 0.0022222 k( 104) = ( 0.0357143 0.0400525 0.7231683), wk = 0.0022222 k( 105) = ( 0.0446429 0.0500656 0.7231683), wk = 0.0022222 k( 106) = ( 0.0535714 0.0600787 0.7231683), wk = 0.0022222 k( 107) = ( 0.0625000 0.0700918 0.7231683), wk = 0.0022222 k( 108) = ( 0.0714286 0.0801050 0.7231683), wk = 0.0022222 k( 109) = ( 0.0803571 0.0901181 0.7231683), wk = 0.0022222 k( 110) = ( 0.0892857 0.1001312 0.7231683), wk = 0.0022222 k( 111) = ( 0.0982143 0.1101443 0.7231683), wk = 0.0022222 k( 112) = ( 0.1071429 0.1201574 0.7231683), wk = 0.0022222 k( 113) = ( 0.1160714 0.1301706 0.7231683), wk = 0.0022222 k( 114) = ( 0.1250000 0.1401837 0.7231683), wk = 0.0022222 k( 115) = ( 0.1339286 0.1501968 0.7231683), wk = 0.0022222 k( 116) = ( 0.1428571 0.1602099 0.7231683), wk = 0.0022222 k( 117) = ( 0.1517857 0.1702230 0.7231683), wk = 0.0022222 k( 118) = ( 0.1607143 0.1802362 0.7231683), wk = 0.0022222 k( 119) = ( 0.1696429 0.1902493 0.7231683), wk = 0.0022222 k( 120) = ( 0.1785714 0.2002624 0.7231683), wk = 0.0022222 k( 121) = ( 0.1875000 0.2102755 0.7231683), wk = 0.0022222 k( 122) = ( 0.1964286 0.2202886 0.7231683), wk = 0.0022222 k( 123) = ( 0.2053571 0.2303018 0.7231683), wk = 0.0022222 k( 124) = ( 0.2142857 0.2403149 0.7231683), wk = 0.0022222 k( 125) = ( 0.2232143 0.2503280 0.7231683), wk = 0.0022222 k( 126) = ( 0.2321429 0.2603411 0.7231683), wk = 0.0022222 k( 127) = ( 0.2410714 0.2703542 0.7231683), wk = 0.0022222 k( 128) = ( 0.2500000 0.2803674 0.7231683), wk = 0.0022222 k( 129) = ( 0.2500000 0.2803674 0.7231683), wk = 0.0022222 k( 130) = ( 0.2416667 0.2877981 0.7156553), wk = 0.0022222 k( 131) = ( 0.2333333 0.2952288 0.7081423), wk = 0.0022222 k( 132) = ( 0.2250000 0.3026595 0.7006294), wk = 0.0022222 k( 133) = ( 0.2166667 0.3100903 0.6931164), wk = 0.0022222 k( 134) = ( 0.2083333 0.3175210 0.6856034), wk = 0.0022222 k( 135) = ( 0.2000000 0.3249517 0.6780904), wk = 0.0022222 k( 136) = ( 0.1916667 0.3323825 0.6705774), wk = 0.0022222 k( 137) = ( 0.1833333 0.3398132 0.6630644), wk = 0.0022222 k( 138) = ( 0.1750000 0.3472439 0.6555514), wk = 0.0022222 k( 139) = ( 0.1666667 0.3546746 0.6480385), wk = 0.0022222 k( 140) = ( 0.1583333 0.3621054 0.6405255), wk = 0.0022222 k( 141) = ( 0.1500000 0.3695361 0.6330125), wk = 0.0022222 k( 142) = ( 0.1416667 0.3769668 0.6254995), wk = 0.0022222 k( 143) = ( 0.1333333 0.3843975 0.6179865), wk = 0.0022222 k( 144) = ( 0.1250000 0.3918283 0.6104735), wk = 0.0022222 k( 145) = ( 0.1166667 0.3992590 0.6029605), wk = 0.0022222 k( 146) = ( 0.1083333 0.4066897 0.5954476), wk = 0.0022222 k( 147) = ( 0.1000000 0.4141205 0.5879346), wk = 0.0022222 k( 148) = ( 0.0916667 0.4215512 0.5804216), wk = 0.0022222 k( 149) = ( 0.0833333 0.4289819 0.5729086), wk = 0.0022222 k( 150) = ( 0.0750000 0.4364126 0.5653956), wk = 0.0022222 k( 151) = ( 0.0666667 0.4438434 0.5578826), wk = 0.0022222 k( 152) = ( 0.0583333 0.4512741 0.5503696), wk = 0.0022222 k( 153) = ( 0.0500000 0.4587048 0.5428567), wk = 0.0022222 k( 154) = ( 0.0416667 0.4661355 0.5353437), wk = 0.0022222 k( 155) = ( 0.0333333 0.4735663 0.5278307), wk = 0.0022222 k( 156) = ( 0.0250000 0.4809970 0.5203177), wk = 0.0022222 k( 157) = ( 0.0166667 0.4884277 0.5128047), wk = 0.0022222 k( 158) = ( 0.0083333 0.4958584 0.5052917), wk = 0.0022222 k( 159) = ( 0.0000000 0.5032892 0.4977788), wk = 0.0022222 k( 160) = ( 0.0000000 0.5032892 0.4977788), wk = 0.0022222 k( 161) = ( 0.0105453 0.5091372 0.4918660), wk = 0.0022222 k( 162) = ( 0.0210907 0.5149853 0.4859532), wk = 0.0022222 k( 163) = ( 0.0316360 0.5208333 0.4800404), wk = 0.0022222 k( 164) = ( 0.0421814 0.5266813 0.4741276), wk = 0.0022222 k( 165) = ( 0.0527267 0.5325294 0.4682149), wk = 0.0022222 k( 166) = ( 0.0632720 0.5383774 0.4623021), wk = 0.0022222 k( 167) = ( 0.0738174 0.5442255 0.4563893), wk = 0.0022222 k( 168) = ( 0.0843627 0.5500735 0.4504765), wk = 0.0022222 k( 169) = ( 0.0949081 0.5559216 0.4445637), wk = 0.0022222 k( 170) = ( 0.1054534 0.5617696 0.4386509), wk = 0.0022222 k( 171) = ( 0.1159987 0.5676176 0.4327382), wk = 0.0022222 k( 172) = ( 0.1265441 0.5734657 0.4268254), wk = 0.0022222 k( 173) = ( 0.1370894 0.5793137 0.4209126), wk = 0.0022222 k( 174) = ( 0.1476348 0.5851618 0.4149998), wk = 0.0022222 k( 175) = ( 0.1581801 0.5910098 0.4090871), wk = 0.0022222 k( 176) = ( 0.1687254 0.5968578 0.4031743), wk = 0.0022222 k( 177) = ( 0.1792708 0.6027059 0.3972615), wk = 0.0022222 k( 178) = ( 0.1898161 0.6085539 0.3913487), wk = 0.0022222 k( 179) = ( 0.2003615 0.6144020 0.3854359), wk = 0.0022222 k( 180) = ( 0.2109068 0.6202500 0.3795231), wk = 0.0022222 k( 181) = ( 0.2214521 0.6260981 0.3736104), wk = 0.0022222 k( 182) = ( 0.2319975 0.6319461 0.3676976), wk = 0.0022222 k( 183) = ( 0.2425428 0.6377941 0.3617848), wk = 0.0022222 k( 184) = ( 0.2530882 0.6436422 0.3558720), wk = 0.0022222 k( 185) = ( 0.2636335 0.6494902 0.3499592), wk = 0.0022222 k( 186) = ( 0.2741788 0.6553383 0.3440465), wk = 0.0022222 k( 187) = ( 0.2847242 0.6611863 0.3381337), wk = 0.0022222 k( 188) = ( 0.2952695 0.6670343 0.3322209), wk = 0.0022222 k( 189) = ( 0.3058149 0.6728824 0.3263081), wk = 0.0022222 k( 190) = ( 0.3163602 0.6787304 0.3203954), wk = 0.0022222 k( 191) = ( 0.3269055 0.6845785 0.3144826), wk = 0.0022222 k( 192) = ( 0.3374509 0.6904265 0.3085698), wk = 0.0022222 k( 193) = ( 0.3479962 0.6962746 0.3026570), wk = 0.0022222 k( 194) = ( 0.3479962 0.6962746 0.3026570), wk = 0.0022222 k( 195) = ( 0.3536260 0.6912546 0.2914475), wk = 0.0022222 k( 196) = ( 0.3592558 0.6862346 0.2802380), wk = 0.0022222 k( 197) = ( 0.3648855 0.6812146 0.2690284), wk = 0.0022222 k( 198) = ( 0.3705153 0.6761946 0.2578189), wk = 0.0022222 k( 199) = ( 0.3761451 0.6711746 0.2466094), wk = 0.0022222 k( 200) = ( 0.3817748 0.6661546 0.2353999), wk = 0.0022222 k( 201) = ( 0.3874046 0.6611346 0.2241904), wk = 0.0022222 k( 202) = ( 0.3930344 0.6561146 0.2129809), wk = 0.0022222 k( 203) = ( 0.3986641 0.6510946 0.2017713), wk = 0.0022222 k( 204) = ( 0.4042939 0.6460746 0.1905618), wk = 0.0022222 k( 205) = ( 0.4099237 0.6410546 0.1793523), wk = 0.0022222 k( 206) = ( 0.4155535 0.6360346 0.1681428), wk = 0.0022222 k( 207) = ( 0.4211832 0.6310146 0.1569333), wk = 0.0022222 k( 208) = ( 0.4268130 0.6259947 0.1457238), wk = 0.0022222 k( 209) = ( 0.4324428 0.6209747 0.1345142), wk = 0.0022222 k( 210) = ( 0.4380725 0.6159547 0.1233047), wk = 0.0022222 k( 211) = ( 0.4437023 0.6109347 0.1120952), wk = 0.0022222 k( 212) = ( 0.4493321 0.6059147 0.1008857), wk = 0.0022222 k( 213) = ( 0.4549618 0.6008947 0.0896762), wk = 0.0022222 k( 214) = ( 0.4605916 0.5958747 0.0784666), wk = 0.0022222 k( 215) = ( 0.4662214 0.5908547 0.0672571), wk = 0.0022222 k( 216) = ( 0.4718511 0.5858347 0.0560476), wk = 0.0022222 k( 217) = ( 0.4774809 0.5808147 0.0448381), wk = 0.0022222 k( 218) = ( 0.4831107 0.5757947 0.0336286), wk = 0.0022222 k( 219) = ( 0.4887405 0.5707747 0.0224190), wk = 0.0022222 k( 220) = ( 0.4943702 0.5657547 0.0112095), wk = 0.0022222 k( 221) = ( 0.5000000 0.5607347 0.0000000), wk = 0.0022222 k( 222) = ( 0.5000000 0.5607347 0.0000000), wk = 0.0022222 k( 223) = ( 0.4909091 0.5505396 0.0000000), wk = 0.0022222 k( 224) = ( 0.4818182 0.5403444 0.0000000), wk = 0.0022222 k( 225) = ( 0.4727273 0.5301492 0.0000000), wk = 0.0022222 k( 226) = ( 0.4636364 0.5199540 0.0000000), wk = 0.0022222 k( 227) = ( 0.4545455 0.5097588 0.0000000), wk = 0.0022222 k( 228) = ( 0.4454546 0.4995637 0.0000000), wk = 0.0022222 k( 229) = ( 0.4363636 0.4893685 0.0000000), wk = 0.0022222 k( 230) = ( 0.4272727 0.4791733 0.0000000), wk = 0.0022222 k( 231) = ( 0.4181818 0.4689781 0.0000000), wk = 0.0022222 k( 232) = ( 0.4090909 0.4587830 0.0000000), wk = 0.0022222 k( 233) = ( 0.4000000 0.4485878 0.0000000), wk = 0.0022222 k( 234) = ( 0.3909091 0.4383926 0.0000000), wk = 0.0022222 k( 235) = ( 0.3818182 0.4281974 0.0000000), wk = 0.0022222 k( 236) = ( 0.3727273 0.4180023 0.0000000), wk = 0.0022222 k( 237) = ( 0.3636364 0.4078071 0.0000000), wk = 0.0022222 k( 238) = ( 0.3545454 0.3976119 0.0000000), wk = 0.0022222 k( 239) = ( 0.3454546 0.3874167 0.0000000), wk = 0.0022222 k( 240) = ( 0.3363636 0.3772216 0.0000000), wk = 0.0022222 k( 241) = ( 0.3272727 0.3670264 0.0000000), wk = 0.0022222 k( 242) = ( 0.3181818 0.3568312 0.0000000), wk = 0.0022222 k( 243) = ( 0.3090909 0.3466360 0.0000000), wk = 0.0022222 k( 244) = ( 0.3000000 0.3364408 0.0000000), wk = 0.0022222 k( 245) = ( 0.2909091 0.3262457 0.0000000), wk = 0.0022222 k( 246) = ( 0.2818182 0.3160505 0.0000000), wk = 0.0022222 k( 247) = ( 0.2727273 0.3058553 0.0000000), wk = 0.0022222 k( 248) = ( 0.2636364 0.2956601 0.0000000), wk = 0.0022222 k( 249) = ( 0.2545455 0.2854649 0.0000000), wk = 0.0022222 k( 250) = ( 0.2454545 0.2752698 0.0000000), wk = 0.0022222 k( 251) = ( 0.2363636 0.2650746 0.0000000), wk = 0.0022222 k( 252) = ( 0.2272727 0.2548794 0.0000000), wk = 0.0022222 k( 253) = ( 0.2181818 0.2446842 0.0000000), wk = 0.0022222 k( 254) = ( 0.2090909 0.2344891 0.0000000), wk = 0.0022222 k( 255) = ( 0.2000000 0.2242939 0.0000000), wk = 0.0022222 k( 256) = ( 0.1909091 0.2140987 0.0000000), wk = 0.0022222 k( 257) = ( 0.1818182 0.2039035 0.0000000), wk = 0.0022222 k( 258) = ( 0.1727273 0.1937084 0.0000000), wk = 0.0022222 k( 259) = ( 0.1636364 0.1835132 0.0000000), wk = 0.0022222 k( 260) = ( 0.1545455 0.1733180 0.0000000), wk = 0.0022222 k( 261) = ( 0.1454545 0.1631228 0.0000000), wk = 0.0022222 k( 262) = ( 0.1363636 0.1529277 0.0000000), wk = 0.0022222 k( 263) = ( 0.1272727 0.1427325 0.0000000), wk = 0.0022222 k( 264) = ( 0.1181818 0.1325373 0.0000000), wk = 0.0022222 k( 265) = ( 0.1090909 0.1223421 0.0000000), wk = 0.0022222 k( 266) = ( 0.1000000 0.1121469 0.0000000), wk = 0.0022222 k( 267) = ( 0.0909091 0.1019518 0.0000000), wk = 0.0022222 k( 268) = ( 0.0818182 0.0917566 0.0000000), wk = 0.0022222 k( 269) = ( 0.0727273 0.0815614 0.0000000), wk = 0.0022222 k( 270) = ( 0.0636364 0.0713662 0.0000000), wk = 0.0022222 k( 271) = ( 0.0545455 0.0611711 0.0000000), wk = 0.0022222 k( 272) = ( 0.0454546 0.0509759 0.0000000), wk = 0.0022222 k( 273) = ( 0.0363636 0.0407807 0.0000000), wk = 0.0022222 k( 274) = ( 0.0272727 0.0305855 0.0000000), wk = 0.0022222 k( 275) = ( 0.0181818 0.0203904 0.0000000), wk = 0.0022222 k( 276) = ( 0.0090909 0.0101952 0.0000000), wk = 0.0022222 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 279) = ( 0.0084805 -0.0075619 0.0076457), wk = 0.0022222 k( 280) = ( 0.0169610 -0.0151239 0.0152913), wk = 0.0022222 k( 281) = ( 0.0254415 -0.0226858 0.0229370), wk = 0.0022222 k( 282) = ( 0.0339220 -0.0302478 0.0305826), wk = 0.0022222 k( 283) = ( 0.0424025 -0.0378097 0.0382283), wk = 0.0022222 k( 284) = ( 0.0508830 -0.0453717 0.0458740), wk = 0.0022222 k( 285) = ( 0.0593635 -0.0529336 0.0535196), wk = 0.0022222 k( 286) = ( 0.0678440 -0.0604956 0.0611653), wk = 0.0022222 k( 287) = ( 0.0763245 -0.0680575 0.0688109), wk = 0.0022222 k( 288) = ( 0.0848050 -0.0756195 0.0764566), wk = 0.0022222 k( 289) = ( 0.0932854 -0.0831814 0.0841023), wk = 0.0022222 k( 290) = ( 0.1017659 -0.0907434 0.0917479), wk = 0.0022222 k( 291) = ( 0.1102464 -0.0983053 0.0993936), wk = 0.0022222 k( 292) = ( 0.1187269 -0.1058673 0.1070392), wk = 0.0022222 k( 293) = ( 0.1272074 -0.1134292 0.1146849), wk = 0.0022222 k( 294) = ( 0.1356879 -0.1209912 0.1223306), wk = 0.0022222 k( 295) = ( 0.1441684 -0.1285531 0.1299762), wk = 0.0022222 k( 296) = ( 0.1526489 -0.1361151 0.1376219), wk = 0.0022222 k( 297) = ( 0.1611294 -0.1436770 0.1452675), wk = 0.0022222 k( 298) = ( 0.1696099 -0.1512390 0.1529132), wk = 0.0022222 k( 299) = ( 0.1780904 -0.1588009 0.1605589), wk = 0.0022222 k( 300) = ( 0.1865709 -0.1663629 0.1682045), wk = 0.0022222 k( 301) = ( 0.1950514 -0.1739248 0.1758502), wk = 0.0022222 k( 302) = ( 0.2035319 -0.1814868 0.1834958), wk = 0.0022222 k( 303) = ( 0.2120124 -0.1890487 0.1911415), wk = 0.0022222 k( 304) = ( 0.2204929 -0.1966107 0.1987872), wk = 0.0022222 k( 305) = ( 0.2289734 -0.2041726 0.2064328), wk = 0.0022222 k( 306) = ( 0.2374539 -0.2117346 0.2140785), wk = 0.0022222 k( 307) = ( 0.2459343 -0.2192965 0.2217241), wk = 0.0022222 k( 308) = ( 0.2544149 -0.2268585 0.2293698), wk = 0.0022222 k( 309) = ( 0.2628953 -0.2344204 0.2370155), wk = 0.0022222 k( 310) = ( 0.2713758 -0.2419824 0.2446611), wk = 0.0022222 k( 311) = ( 0.2798563 -0.2495443 0.2523068), wk = 0.0022222 k( 312) = ( 0.2883368 -0.2571063 0.2599524), wk = 0.0022222 k( 313) = ( 0.2968173 -0.2646682 0.2675981), wk = 0.0022222 k( 314) = ( 0.3052978 -0.2722302 0.2752438), wk = 0.0022222 k( 315) = ( 0.3137783 -0.2797921 0.2828894), wk = 0.0022222 k( 316) = ( 0.3222588 -0.2873541 0.2905351), wk = 0.0022222 k( 317) = ( 0.3307393 -0.2949160 0.2981807), wk = 0.0022222 k( 318) = ( 0.3392198 -0.3024780 0.3058264), wk = 0.0022222 k( 319) = ( 0.3477003 -0.3100399 0.3134721), wk = 0.0022222 k( 320) = ( 0.3561808 -0.3176019 0.3211177), wk = 0.0022222 k( 321) = ( 0.3646613 -0.3251638 0.3287634), wk = 0.0022222 k( 322) = ( 0.3731418 -0.3327258 0.3364090), wk = 0.0022222 k( 323) = ( 0.3816223 -0.3402877 0.3440547), wk = 0.0022222 k( 324) = ( 0.3901028 -0.3478497 0.3517004), wk = 0.0022222 k( 325) = ( 0.3985833 -0.3554116 0.3593460), wk = 0.0022222 k( 326) = ( 0.4070638 -0.3629736 0.3669917), wk = 0.0022222 k( 327) = ( 0.4155443 -0.3705355 0.3746373), wk = 0.0022222 k( 328) = ( 0.4240248 -0.3780975 0.3822830), wk = 0.0022222 k( 329) = ( 0.4325052 -0.3856594 0.3899287), wk = 0.0022222 k( 330) = ( 0.4409857 -0.3932214 0.3975743), wk = 0.0022222 k( 331) = ( 0.4494662 -0.4007833 0.4052200), wk = 0.0022222 k( 332) = ( 0.4579467 -0.4083453 0.4128656), wk = 0.0022222 k( 333) = ( 0.4664272 -0.4159072 0.4205113), wk = 0.0022222 k( 334) = ( 0.4664272 -0.4159072 0.4205113), wk = 0.0022222 k( 335) = ( 0.4673107 -0.4034505 0.4153765), wk = 0.0022222 k( 336) = ( 0.4681942 -0.3909939 0.4102417), wk = 0.0022222 k( 337) = ( 0.4690777 -0.3785372 0.4051070), wk = 0.0022222 k( 338) = ( 0.4699612 -0.3660806 0.3999722), wk = 0.0022222 k( 339) = ( 0.4708447 -0.3536239 0.3948374), wk = 0.0022222 k( 340) = ( 0.4717282 -0.3411673 0.3897026), wk = 0.0022222 k( 341) = ( 0.4726117 -0.3287106 0.3845678), wk = 0.0022222 k( 342) = ( 0.4734952 -0.3162540 0.3794330), wk = 0.0022222 k( 343) = ( 0.4743787 -0.3037973 0.3742983), wk = 0.0022222 k( 344) = ( 0.4752622 -0.2913407 0.3691635), wk = 0.0022222 k( 345) = ( 0.4761457 -0.2788840 0.3640287), wk = 0.0022222 k( 346) = ( 0.4770292 -0.2664274 0.3588939), wk = 0.0022222 k( 347) = ( 0.4779126 -0.2539707 0.3537591), wk = 0.0022222 k( 348) = ( 0.4787961 -0.2415141 0.3486243), wk = 0.0022222 k( 349) = ( 0.4796796 -0.2290574 0.3434896), wk = 0.0022222 k( 350) = ( 0.4805631 -0.2166008 0.3383548), wk = 0.0022222 k( 351) = ( 0.4814466 -0.2041441 0.3332200), wk = 0.0022222 k( 352) = ( 0.4823301 -0.1916875 0.3280852), wk = 0.0022222 k( 353) = ( 0.4832136 -0.1792308 0.3229504), wk = 0.0022222 k( 354) = ( 0.4840971 -0.1667742 0.3178156), wk = 0.0022222 k( 355) = ( 0.4849806 -0.1543175 0.3126809), wk = 0.0022222 k( 356) = ( 0.4858641 -0.1418609 0.3075461), wk = 0.0022222 k( 357) = ( 0.4867476 -0.1294042 0.3024113), wk = 0.0022222 k( 358) = ( 0.4876311 -0.1169476 0.2972765), wk = 0.0022222 k( 359) = ( 0.4885146 -0.1044909 0.2921417), wk = 0.0022222 k( 360) = ( 0.4893981 -0.0920343 0.2870070), wk = 0.0022222 k( 361) = ( 0.4902816 -0.0795776 0.2818722), wk = 0.0022222 k( 362) = ( 0.4911651 -0.0671210 0.2767374), wk = 0.0022222 k( 363) = ( 0.4920485 -0.0546643 0.2716026), wk = 0.0022222 k( 364) = ( 0.4929321 -0.0422076 0.2664678), wk = 0.0022222 k( 365) = ( 0.4938155 -0.0297510 0.2613330), wk = 0.0022222 k( 366) = ( 0.4946990 -0.0172943 0.2561982), wk = 0.0022222 k( 367) = ( 0.4955825 -0.0048377 0.2510635), wk = 0.0022222 k( 368) = ( 0.4964660 0.0076190 0.2459287), wk = 0.0022222 k( 369) = ( 0.4973495 0.0200756 0.2407939), wk = 0.0022222 k( 370) = ( 0.4982330 0.0325323 0.2356591), wk = 0.0022222 k( 371) = ( 0.4991165 0.0449889 0.2305243), wk = 0.0022222 k( 372) = ( 0.5000000 0.0574456 0.2253896), wk = 0.0022222 k( 373) = ( 0.5000000 0.0574456 0.2253896), wk = 0.0022222 k( 374) = ( 0.4943182 0.0625120 0.2367027), wk = 0.0022222 k( 375) = ( 0.4886364 0.0675784 0.2480159), wk = 0.0022222 k( 376) = ( 0.4829545 0.0726448 0.2593290), wk = 0.0022222 k( 377) = ( 0.4772727 0.0777112 0.2706422), wk = 0.0022222 k( 378) = ( 0.4715909 0.0827776 0.2819553), wk = 0.0022222 k( 379) = ( 0.4659091 0.0878440 0.2932685), wk = 0.0022222 k( 380) = ( 0.4602273 0.0929104 0.3045816), wk = 0.0022222 k( 381) = ( 0.4545455 0.0979768 0.3158948), wk = 0.0022222 k( 382) = ( 0.4488636 0.1030432 0.3272079), wk = 0.0022222 k( 383) = ( 0.4431818 0.1081096 0.3385211), wk = 0.0022222 k( 384) = ( 0.4375000 0.1131760 0.3498342), wk = 0.0022222 k( 385) = ( 0.4318182 0.1182424 0.3611474), wk = 0.0022222 k( 386) = ( 0.4261364 0.1233088 0.3724606), wk = 0.0022222 k( 387) = ( 0.4204545 0.1283752 0.3837737), wk = 0.0022222 k( 388) = ( 0.4147727 0.1334416 0.3950869), wk = 0.0022222 k( 389) = ( 0.4090909 0.1385080 0.4064000), wk = 0.0022222 k( 390) = ( 0.4034091 0.1435744 0.4177132), wk = 0.0022222 k( 391) = ( 0.3977273 0.1486408 0.4290263), wk = 0.0022222 k( 392) = ( 0.3920455 0.1537073 0.4403395), wk = 0.0022222 k( 393) = ( 0.3863636 0.1587737 0.4516526), wk = 0.0022222 k( 394) = ( 0.3806818 0.1638401 0.4629658), wk = 0.0022222 k( 395) = ( 0.3750000 0.1689065 0.4742789), wk = 0.0022222 k( 396) = ( 0.3693182 0.1739729 0.4855921), wk = 0.0022222 k( 397) = ( 0.3636364 0.1790393 0.4969052), wk = 0.0022222 k( 398) = ( 0.3579545 0.1841057 0.5082184), wk = 0.0022222 k( 399) = ( 0.3522727 0.1891721 0.5195315), wk = 0.0022222 k( 400) = ( 0.3465909 0.1942385 0.5308447), wk = 0.0022222 k( 401) = ( 0.3409091 0.1993049 0.5421579), wk = 0.0022222 k( 402) = ( 0.3352273 0.2043713 0.5534710), wk = 0.0022222 k( 403) = ( 0.3295455 0.2094377 0.5647842), wk = 0.0022222 k( 404) = ( 0.3238636 0.2145041 0.5760973), wk = 0.0022222 k( 405) = ( 0.3181818 0.2195705 0.5874105), wk = 0.0022222 k( 406) = ( 0.3125000 0.2246369 0.5987236), wk = 0.0022222 k( 407) = ( 0.3068182 0.2297033 0.6100368), wk = 0.0022222 k( 408) = ( 0.3011364 0.2347697 0.6213499), wk = 0.0022222 k( 409) = ( 0.2954545 0.2398361 0.6326631), wk = 0.0022222 k( 410) = ( 0.2897727 0.2449025 0.6439762), wk = 0.0022222 k( 411) = ( 0.2840909 0.2499689 0.6552894), wk = 0.0022222 k( 412) = ( 0.2784091 0.2550353 0.6666025), wk = 0.0022222 k( 413) = ( 0.2727273 0.2601017 0.6779157), wk = 0.0022222 k( 414) = ( 0.2670455 0.2651682 0.6892289), wk = 0.0022222 k( 415) = ( 0.2613636 0.2702346 0.7005420), wk = 0.0022222 k( 416) = ( 0.2556818 0.2753010 0.7118552), wk = 0.0022222 k( 417) = ( 0.2500000 0.2803674 0.7231683), wk = 0.0022222 k( 418) = ( 0.3144234 -0.2803674 0.7231683), wk = 0.0022222 k( 419) = ( 0.3200532 -0.2853874 0.7119588), wk = 0.0022222 k( 420) = ( 0.3256830 -0.2904074 0.7007493), wk = 0.0022222 k( 421) = ( 0.3313127 -0.2954273 0.6895397), wk = 0.0022222 k( 422) = ( 0.3369425 -0.3004473 0.6783302), wk = 0.0022222 k( 423) = ( 0.3425723 -0.3054673 0.6671207), wk = 0.0022222 k( 424) = ( 0.3482021 -0.3104873 0.6559112), wk = 0.0022222 k( 425) = ( 0.3538318 -0.3155073 0.6447017), wk = 0.0022222 k( 426) = ( 0.3594616 -0.3205273 0.6334921), wk = 0.0022222 k( 427) = ( 0.3650914 -0.3255473 0.6222826), wk = 0.0022222 k( 428) = ( 0.3707211 -0.3305673 0.6110731), wk = 0.0022222 k( 429) = ( 0.3763509 -0.3355873 0.5998636), wk = 0.0022222 k( 430) = ( 0.3819807 -0.3406073 0.5886541), wk = 0.0022222 k( 431) = ( 0.3876104 -0.3456273 0.5774446), wk = 0.0022222 k( 432) = ( 0.3932402 -0.3506473 0.5662350), wk = 0.0022222 k( 433) = ( 0.3988700 -0.3556673 0.5550255), wk = 0.0022222 k( 434) = ( 0.4044997 -0.3606873 0.5438160), wk = 0.0022222 k( 435) = ( 0.4101295 -0.3657073 0.5326065), wk = 0.0022222 k( 436) = ( 0.4157593 -0.3707272 0.5213970), wk = 0.0022222 k( 437) = ( 0.4213891 -0.3757472 0.5101875), wk = 0.0022222 k( 438) = ( 0.4270188 -0.3807672 0.4989779), wk = 0.0022222 k( 439) = ( 0.4326486 -0.3857872 0.4877684), wk = 0.0022222 k( 440) = ( 0.4382784 -0.3908072 0.4765589), wk = 0.0022222 k( 441) = ( 0.4439081 -0.3958272 0.4653494), wk = 0.0022222 k( 442) = ( 0.4495379 -0.4008472 0.4541399), wk = 0.0022222 k( 443) = ( 0.4551677 -0.4058672 0.4429303), wk = 0.0022222 k( 444) = ( 0.4607974 -0.4108872 0.4317208), wk = 0.0022222 k( 445) = ( 0.4664272 -0.4159072 0.4205113), wk = 0.0022222 k( 446) = ( 0.5335728 0.5307983 0.0302678), wk = 0.0022222 k( 447) = ( 0.5251796 0.5382824 0.0227009), wk = 0.0022222 k( 448) = ( 0.5167864 0.5457665 0.0151339), wk = 0.0022222 k( 449) = ( 0.5083932 0.5532506 0.0075669), wk = 0.0022222 k( 450) = ( 0.5000000 0.5607347 0.0000000), wk = 0.0022222 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 2) = ( -0.0057049 0.0057049 0.0057049), wk = 0.0022222 k( 3) = ( -0.0114097 0.0114097 0.0114097), wk = 0.0022222 k( 4) = ( -0.0171146 0.0171146 0.0171146), wk = 0.0022222 k( 5) = ( -0.0228194 0.0228194 0.0228194), wk = 0.0022222 k( 6) = ( -0.0285243 0.0285243 0.0285243), wk = 0.0022222 k( 7) = ( -0.0342291 0.0342291 0.0342291), wk = 0.0022222 k( 8) = ( -0.0399340 0.0399340 0.0399340), wk = 0.0022222 k( 9) = ( -0.0456389 0.0456389 0.0456388), wk = 0.0022222 k( 10) = ( -0.0513437 0.0513437 0.0513437), wk = 0.0022222 k( 11) = ( -0.0570486 0.0570486 0.0570486), wk = 0.0022222 k( 12) = ( -0.0627534 0.0627534 0.0627534), wk = 0.0022222 k( 13) = ( -0.0684583 0.0684583 0.0684583), wk = 0.0022222 k( 14) = ( -0.0741631 0.0741631 0.0741631), wk = 0.0022222 k( 15) = ( -0.0798680 0.0798680 0.0798680), wk = 0.0022222 k( 16) = ( -0.0855728 0.0855728 0.0855728), wk = 0.0022222 k( 17) = ( -0.0912777 0.0912777 0.0912777), wk = 0.0022222 k( 18) = ( -0.0969826 0.0969825 0.0969826), wk = 0.0022222 k( 19) = ( -0.1026874 0.1026874 0.1026874), wk = 0.0022222 k( 20) = ( -0.1083923 0.1083923 0.1083923), wk = 0.0022222 k( 21) = ( -0.1140971 0.1140971 0.1140971), wk = 0.0022222 k( 22) = ( -0.1198020 0.1198020 0.1198020), wk = 0.0022222 k( 23) = ( -0.1255068 0.1255068 0.1255068), wk = 0.0022222 k( 24) = ( -0.1312117 0.1312117 0.1312117), wk = 0.0022222 k( 25) = ( -0.1369165 0.1369165 0.1369165), wk = 0.0022222 k( 26) = ( -0.1426214 0.1426214 0.1426214), wk = 0.0022222 k( 27) = ( -0.1483263 0.1483263 0.1483263), wk = 0.0022222 k( 28) = ( -0.1540311 0.1540311 0.1540311), wk = 0.0022222 k( 29) = ( -0.1597360 0.1597360 0.1597360), wk = 0.0022222 k( 30) = ( -0.1654408 0.1654408 0.1654408), wk = 0.0022222 k( 31) = ( -0.1711457 0.1711457 0.1711457), wk = 0.0022222 k( 32) = ( -0.1768505 0.1768505 0.1768505), wk = 0.0022222 k( 33) = ( -0.1825554 0.1825554 0.1825554), wk = 0.0022222 k( 34) = ( -0.1882602 0.1882602 0.1882602), wk = 0.0022222 k( 35) = ( -0.1939651 0.1939651 0.1939651), wk = 0.0022222 k( 36) = ( -0.1996700 0.1996700 0.1996700), wk = 0.0022222 k( 37) = ( -0.2053748 0.2053748 0.2053748), wk = 0.0022222 k( 38) = ( -0.2110797 0.2110797 0.2110797), wk = 0.0022222 k( 39) = ( -0.2167845 0.2167845 0.2167845), wk = 0.0022222 k( 40) = ( -0.2224894 0.2224894 0.2224894), wk = 0.0022222 k( 41) = ( -0.2281942 0.2281942 0.2281942), wk = 0.0022222 k( 42) = ( -0.2338991 0.2338991 0.2338991), wk = 0.0022222 k( 43) = ( -0.2396040 0.2396039 0.2396040), wk = 0.0022222 k( 44) = ( -0.2453088 0.2453088 0.2453088), wk = 0.0022222 k( 45) = ( -0.2510137 0.2510137 0.2510137), wk = 0.0022222 k( 46) = ( -0.2567185 0.2567185 0.2567185), wk = 0.0022222 k( 47) = ( -0.2624234 0.2624234 0.2624234), wk = 0.0022222 k( 48) = ( -0.2681282 0.2681282 0.2681282), wk = 0.0022222 k( 49) = ( -0.2738331 0.2738331 0.2738331), wk = 0.0022222 k( 50) = ( -0.2795379 0.2795379 0.2795379), wk = 0.0022222 k( 51) = ( -0.2852428 0.2852428 0.2852428), wk = 0.0022222 k( 52) = ( -0.2909477 0.2909477 0.2909477), wk = 0.0022222 k( 53) = ( -0.2966525 0.2966525 0.2966525), wk = 0.0022222 k( 54) = ( -0.3023574 0.3023574 0.3023574), wk = 0.0022222 k( 55) = ( -0.3080622 0.3080622 0.3080622), wk = 0.0022222 k( 56) = ( -0.3137671 0.3137671 0.3137671), wk = 0.0022222 k( 57) = ( -0.3194719 0.3194719 0.3194719), wk = 0.0022222 k( 58) = ( -0.3251768 0.3251768 0.3251768), wk = 0.0022222 k( 59) = ( -0.3308817 0.3308817 0.3308816), wk = 0.0022222 k( 60) = ( -0.3365865 0.3365865 0.3365865), wk = 0.0022222 k( 61) = ( -0.3422914 0.3422914 0.3422914), wk = 0.0022222 k( 62) = ( -0.3479962 0.3479962 0.3479962), wk = 0.0022222 k( 63) = ( -0.3479962 0.3479962 0.3479962), wk = 0.0022222 k( 64) = ( -0.3396030 0.3396030 0.3563894), wk = 0.0022222 k( 65) = ( -0.3312098 0.3312098 0.3647826), wk = 0.0022222 k( 66) = ( -0.3228166 0.3228166 0.3731758), wk = 0.0022222 k( 67) = ( -0.3144234 0.3144234 0.3815690), wk = 0.0022222 k( 68) = ( -0.3144234 0.3144234 0.3815690), wk = 0.0022222 k( 69) = ( -0.3042807 0.3042807 0.3853894), wk = 0.0022222 k( 70) = ( -0.2941381 0.2941381 0.3892097), wk = 0.0022222 k( 71) = ( -0.2839954 0.2839954 0.3930301), wk = 0.0022222 k( 72) = ( -0.2738527 0.2738527 0.3968504), wk = 0.0022222 k( 73) = ( -0.2637100 0.2637100 0.4006708), wk = 0.0022222 k( 74) = ( -0.2535673 0.2535673 0.4044911), wk = 0.0022222 k( 75) = ( -0.2434246 0.2434246 0.4083115), wk = 0.0022222 k( 76) = ( -0.2332819 0.2332819 0.4121318), wk = 0.0022222 k( 77) = ( -0.2231392 0.2231392 0.4159522), wk = 0.0022222 k( 78) = ( -0.2129965 0.2129965 0.4197725), wk = 0.0022222 k( 79) = ( -0.2028538 0.2028538 0.4235929), wk = 0.0022222 k( 80) = ( -0.1927111 0.1927111 0.4274133), wk = 0.0022222 k( 81) = ( -0.1825684 0.1825684 0.4312336), wk = 0.0022222 k( 82) = ( -0.1724258 0.1724258 0.4350540), wk = 0.0022222 k( 83) = ( -0.1622831 0.1622831 0.4388743), wk = 0.0022222 k( 84) = ( -0.1521404 0.1521404 0.4426947), wk = 0.0022222 k( 85) = ( -0.1419977 0.1419977 0.4465150), wk = 0.0022222 k( 86) = ( -0.1318550 0.1318550 0.4503354), wk = 0.0022222 k( 87) = ( -0.1217123 0.1217123 0.4541557), wk = 0.0022222 k( 88) = ( -0.1115696 0.1115696 0.4579761), wk = 0.0022222 k( 89) = ( -0.1014269 0.1014269 0.4617964), wk = 0.0022222 k( 90) = ( -0.0912842 0.0912842 0.4656168), wk = 0.0022222 k( 91) = ( -0.0811415 0.0811415 0.4694372), wk = 0.0022222 k( 92) = ( -0.0709988 0.0709988 0.4732575), wk = 0.0022222 k( 93) = ( -0.0608561 0.0608561 0.4770779), wk = 0.0022222 k( 94) = ( -0.0507135 0.0507135 0.4808982), wk = 0.0022222 k( 95) = ( -0.0405708 0.0405708 0.4847186), wk = 0.0022222 k( 96) = ( -0.0304281 0.0304281 0.4885389), wk = 0.0022222 k( 97) = ( -0.0202854 0.0202854 0.4923593), wk = 0.0022222 k( 98) = ( -0.0101427 0.0101427 0.4961796), wk = 0.0022222 k( 99) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022222 k( 100) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022222 k( 101) = ( 0.0089286 0.0089286 0.4910714), wk = 0.0022222 k( 102) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0022222 k( 103) = ( 0.0267857 0.0267857 0.4732143), wk = 0.0022222 k( 104) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0022222 k( 105) = ( 0.0446429 0.0446429 0.4553571), wk = 0.0022222 k( 106) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0022222 k( 107) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0022222 k( 108) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0022222 k( 109) = ( 0.0803571 0.0803571 0.4196429), wk = 0.0022222 k( 110) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0022222 k( 111) = ( 0.0982143 0.0982143 0.4017857), wk = 0.0022222 k( 112) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0022222 k( 113) = ( 0.1160714 0.1160714 0.3839286), wk = 0.0022222 k( 114) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0022222 k( 115) = ( 0.1339286 0.1339286 0.3660714), wk = 0.0022222 k( 116) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0022222 k( 117) = ( 0.1517857 0.1517857 0.3482143), wk = 0.0022222 k( 118) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0022222 k( 119) = ( 0.1696429 0.1696429 0.3303571), wk = 0.0022222 k( 120) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0022222 k( 121) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0022222 k( 122) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0022222 k( 123) = ( 0.2053571 0.2053571 0.2946429), wk = 0.0022222 k( 124) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0022222 k( 125) = ( 0.2232143 0.2232143 0.2767857), wk = 0.0022222 k( 126) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0022222 k( 127) = ( 0.2410714 0.2410714 0.2589286), wk = 0.0022222 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022222 k( 129) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022222 k( 130) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0022222 k( 131) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0022222 k( 132) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0022222 k( 133) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0022222 k( 134) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0022222 k( 135) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0022222 k( 136) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0022222 k( 137) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0022222 k( 138) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0022222 k( 139) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0022222 k( 140) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0022222 k( 141) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0022222 k( 142) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0022222 k( 143) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0022222 k( 144) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0022222 k( 145) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0022222 k( 146) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0022222 k( 147) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0022222 k( 148) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0022222 k( 149) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0022222 k( 150) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0022222 k( 151) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0022222 k( 152) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0022222 k( 153) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0022222 k( 154) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0022222 k( 155) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0022222 k( 156) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0022222 k( 157) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0022222 k( 158) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0022222 k( 159) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022222 k( 160) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022222 k( 161) = ( 0.0105453 0.5046062 -0.0105453), wk = 0.0022222 k( 162) = ( 0.0210907 0.5092123 -0.0210907), wk = 0.0022222 k( 163) = ( 0.0316360 0.5138185 -0.0316360), wk = 0.0022222 k( 164) = ( 0.0421814 0.5184247 -0.0421814), wk = 0.0022222 k( 165) = ( 0.0527267 0.5230309 -0.0527267), wk = 0.0022222 k( 166) = ( 0.0632720 0.5276371 -0.0632720), wk = 0.0022222 k( 167) = ( 0.0738174 0.5322432 -0.0738174), wk = 0.0022222 k( 168) = ( 0.0843627 0.5368494 -0.0843627), wk = 0.0022222 k( 169) = ( 0.0949081 0.5414556 -0.0949081), wk = 0.0022222 k( 170) = ( 0.1054534 0.5460617 -0.1054534), wk = 0.0022222 k( 171) = ( 0.1159987 0.5506679 -0.1159987), wk = 0.0022222 k( 172) = ( 0.1265441 0.5552741 -0.1265441), wk = 0.0022222 k( 173) = ( 0.1370894 0.5598803 -0.1370894), wk = 0.0022222 k( 174) = ( 0.1476348 0.5644864 -0.1476348), wk = 0.0022222 k( 175) = ( 0.1581801 0.5690926 -0.1581801), wk = 0.0022222 k( 176) = ( 0.1687254 0.5736988 -0.1687254), wk = 0.0022222 k( 177) = ( 0.1792708 0.5783050 -0.1792708), wk = 0.0022222 k( 178) = ( 0.1898161 0.5829111 -0.1898161), wk = 0.0022222 k( 179) = ( 0.2003615 0.5875173 -0.2003615), wk = 0.0022222 k( 180) = ( 0.2109068 0.5921235 -0.2109068), wk = 0.0022222 k( 181) = ( 0.2214521 0.5967297 -0.2214521), wk = 0.0022222 k( 182) = ( 0.2319975 0.6013359 -0.2319975), wk = 0.0022222 k( 183) = ( 0.2425428 0.6059420 -0.2425428), wk = 0.0022222 k( 184) = ( 0.2530882 0.6105482 -0.2530882), wk = 0.0022222 k( 185) = ( 0.2636335 0.6151544 -0.2636335), wk = 0.0022222 k( 186) = ( 0.2741788 0.6197605 -0.2741788), wk = 0.0022222 k( 187) = ( 0.2847242 0.6243667 -0.2847242), wk = 0.0022222 k( 188) = ( 0.2952695 0.6289729 -0.2952695), wk = 0.0022222 k( 189) = ( 0.3058149 0.6335791 -0.3058149), wk = 0.0022222 k( 190) = ( 0.3163602 0.6381853 -0.3163602), wk = 0.0022222 k( 191) = ( 0.3269055 0.6427914 -0.3269055), wk = 0.0022222 k( 192) = ( 0.3374509 0.6473976 -0.3374509), wk = 0.0022222 k( 193) = ( 0.3479962 0.6520038 -0.3479962), wk = 0.0022222 k( 194) = ( 0.3479962 0.6520038 -0.3479962), wk = 0.0022222 k( 195) = ( 0.3536260 0.6463740 -0.3536260), wk = 0.0022222 k( 196) = ( 0.3592558 0.6407442 -0.3592558), wk = 0.0022222 k( 197) = ( 0.3648855 0.6351145 -0.3648855), wk = 0.0022222 k( 198) = ( 0.3705153 0.6294847 -0.3705153), wk = 0.0022222 k( 199) = ( 0.3761451 0.6238549 -0.3761451), wk = 0.0022222 k( 200) = ( 0.3817748 0.6182252 -0.3817748), wk = 0.0022222 k( 201) = ( 0.3874046 0.6125954 -0.3874046), wk = 0.0022222 k( 202) = ( 0.3930344 0.6069656 -0.3930344), wk = 0.0022222 k( 203) = ( 0.3986641 0.6013358 -0.3986641), wk = 0.0022222 k( 204) = ( 0.4042939 0.5957061 -0.4042939), wk = 0.0022222 k( 205) = ( 0.4099237 0.5900763 -0.4099237), wk = 0.0022222 k( 206) = ( 0.4155535 0.5844465 -0.4155535), wk = 0.0022222 k( 207) = ( 0.4211832 0.5788168 -0.4211832), wk = 0.0022222 k( 208) = ( 0.4268130 0.5731870 -0.4268130), wk = 0.0022222 k( 209) = ( 0.4324428 0.5675572 -0.4324428), wk = 0.0022222 k( 210) = ( 0.4380725 0.5619275 -0.4380725), wk = 0.0022222 k( 211) = ( 0.4437023 0.5562977 -0.4437023), wk = 0.0022222 k( 212) = ( 0.4493321 0.5506679 -0.4493321), wk = 0.0022222 k( 213) = ( 0.4549618 0.5450382 -0.4549618), wk = 0.0022222 k( 214) = ( 0.4605916 0.5394084 -0.4605916), wk = 0.0022222 k( 215) = ( 0.4662214 0.5337786 -0.4662214), wk = 0.0022222 k( 216) = ( 0.4718511 0.5281488 -0.4718511), wk = 0.0022222 k( 217) = ( 0.4774809 0.5225191 -0.4774809), wk = 0.0022222 k( 218) = ( 0.4831107 0.5168893 -0.4831107), wk = 0.0022222 k( 219) = ( 0.4887405 0.5112595 -0.4887405), wk = 0.0022222 k( 220) = ( 0.4943702 0.5056298 -0.4943702), wk = 0.0022222 k( 221) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022222 k( 222) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022222 k( 223) = ( 0.4909091 0.4909091 -0.4909091), wk = 0.0022222 k( 224) = ( 0.4818182 0.4818182 -0.4818182), wk = 0.0022222 k( 225) = ( 0.4727273 0.4727273 -0.4727273), wk = 0.0022222 k( 226) = ( 0.4636364 0.4636364 -0.4636364), wk = 0.0022222 k( 227) = ( 0.4545455 0.4545455 -0.4545454), wk = 0.0022222 k( 228) = ( 0.4454546 0.4454545 -0.4454545), wk = 0.0022222 k( 229) = ( 0.4363636 0.4363636 -0.4363636), wk = 0.0022222 k( 230) = ( 0.4272727 0.4272727 -0.4272727), wk = 0.0022222 k( 231) = ( 0.4181818 0.4181818 -0.4181818), wk = 0.0022222 k( 232) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0022222 k( 233) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0022222 k( 234) = ( 0.3909091 0.3909091 -0.3909091), wk = 0.0022222 k( 235) = ( 0.3818182 0.3818182 -0.3818182), wk = 0.0022222 k( 236) = ( 0.3727273 0.3727273 -0.3727273), wk = 0.0022222 k( 237) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0022222 k( 238) = ( 0.3545454 0.3545454 -0.3545454), wk = 0.0022222 k( 239) = ( 0.3454546 0.3454545 -0.3454545), wk = 0.0022222 k( 240) = ( 0.3363636 0.3363636 -0.3363636), wk = 0.0022222 k( 241) = ( 0.3272727 0.3272727 -0.3272727), wk = 0.0022222 k( 242) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0022222 k( 243) = ( 0.3090909 0.3090909 -0.3090909), wk = 0.0022222 k( 244) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0022222 k( 245) = ( 0.2909091 0.2909091 -0.2909091), wk = 0.0022222 k( 246) = ( 0.2818182 0.2818182 -0.2818182), wk = 0.0022222 k( 247) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0022222 k( 248) = ( 0.2636364 0.2636364 -0.2636364), wk = 0.0022222 k( 249) = ( 0.2545455 0.2545455 -0.2545455), wk = 0.0022222 k( 250) = ( 0.2454545 0.2454545 -0.2454545), wk = 0.0022222 k( 251) = ( 0.2363636 0.2363636 -0.2363636), wk = 0.0022222 k( 252) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0022222 k( 253) = ( 0.2181818 0.2181818 -0.2181818), wk = 0.0022222 k( 254) = ( 0.2090909 0.2090909 -0.2090909), wk = 0.0022222 k( 255) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0022222 k( 256) = ( 0.1909091 0.1909091 -0.1909091), wk = 0.0022222 k( 257) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0022222 k( 258) = ( 0.1727273 0.1727273 -0.1727273), wk = 0.0022222 k( 259) = ( 0.1636364 0.1636364 -0.1636364), wk = 0.0022222 k( 260) = ( 0.1545455 0.1545454 -0.1545454), wk = 0.0022222 k( 261) = ( 0.1454545 0.1454545 -0.1454545), wk = 0.0022222 k( 262) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0022222 k( 263) = ( 0.1272727 0.1272727 -0.1272727), wk = 0.0022222 k( 264) = ( 0.1181818 0.1181818 -0.1181818), wk = 0.0022222 k( 265) = ( 0.1090909 0.1090909 -0.1090909), wk = 0.0022222 k( 266) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0022222 k( 267) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0022222 k( 268) = ( 0.0818182 0.0818182 -0.0818182), wk = 0.0022222 k( 269) = ( 0.0727273 0.0727273 -0.0727273), wk = 0.0022222 k( 270) = ( 0.0636364 0.0636364 -0.0636364), wk = 0.0022222 k( 271) = ( 0.0545455 0.0545455 -0.0545455), wk = 0.0022222 k( 272) = ( 0.0454546 0.0454545 -0.0454545), wk = 0.0022222 k( 273) = ( 0.0363636 0.0363636 -0.0363636), wk = 0.0022222 k( 274) = ( 0.0272727 0.0272727 -0.0272727), wk = 0.0022222 k( 275) = ( 0.0181818 0.0181818 -0.0181818), wk = 0.0022222 k( 276) = ( 0.0090909 0.0090909 -0.0090909), wk = 0.0022222 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022222 k( 279) = ( 0.0084805 -0.0084805 0.0084805), wk = 0.0022222 k( 280) = ( 0.0169610 -0.0169610 0.0169610), wk = 0.0022222 k( 281) = ( 0.0254415 -0.0254415 0.0254415), wk = 0.0022222 k( 282) = ( 0.0339220 -0.0339220 0.0339220), wk = 0.0022222 k( 283) = ( 0.0424025 -0.0424025 0.0424025), wk = 0.0022222 k( 284) = ( 0.0508830 -0.0508830 0.0508830), wk = 0.0022222 k( 285) = ( 0.0593635 -0.0593635 0.0593635), wk = 0.0022222 k( 286) = ( 0.0678440 -0.0678440 0.0678440), wk = 0.0022222 k( 287) = ( 0.0763245 -0.0763245 0.0763244), wk = 0.0022222 k( 288) = ( 0.0848050 -0.0848049 0.0848049), wk = 0.0022222 k( 289) = ( 0.0932854 -0.0932854 0.0932854), wk = 0.0022222 k( 290) = ( 0.1017659 -0.1017659 0.1017659), wk = 0.0022222 k( 291) = ( 0.1102464 -0.1102464 0.1102464), wk = 0.0022222 k( 292) = ( 0.1187269 -0.1187269 0.1187269), wk = 0.0022222 k( 293) = ( 0.1272074 -0.1272074 0.1272074), wk = 0.0022222 k( 294) = ( 0.1356879 -0.1356879 0.1356879), wk = 0.0022222 k( 295) = ( 0.1441684 -0.1441684 0.1441684), wk = 0.0022222 k( 296) = ( 0.1526489 -0.1526489 0.1526489), wk = 0.0022222 k( 297) = ( 0.1611294 -0.1611294 0.1611294), wk = 0.0022222 k( 298) = ( 0.1696099 -0.1696099 0.1696099), wk = 0.0022222 k( 299) = ( 0.1780904 -0.1780904 0.1780904), wk = 0.0022222 k( 300) = ( 0.1865709 -0.1865709 0.1865709), wk = 0.0022222 k( 301) = ( 0.1950514 -0.1950514 0.1950514), wk = 0.0022222 k( 302) = ( 0.2035319 -0.2035319 0.2035319), wk = 0.0022222 k( 303) = ( 0.2120124 -0.2120124 0.2120124), wk = 0.0022222 k( 304) = ( 0.2204929 -0.2204929 0.2204929), wk = 0.0022222 k( 305) = ( 0.2289734 -0.2289734 0.2289734), wk = 0.0022222 k( 306) = ( 0.2374539 -0.2374539 0.2374539), wk = 0.0022222 k( 307) = ( 0.2459343 -0.2459343 0.2459343), wk = 0.0022222 k( 308) = ( 0.2544149 -0.2544149 0.2544148), wk = 0.0022222 k( 309) = ( 0.2628953 -0.2628953 0.2628953), wk = 0.0022222 k( 310) = ( 0.2713758 -0.2713758 0.2713758), wk = 0.0022222 k( 311) = ( 0.2798563 -0.2798563 0.2798563), wk = 0.0022222 k( 312) = ( 0.2883368 -0.2883368 0.2883368), wk = 0.0022222 k( 313) = ( 0.2968173 -0.2968173 0.2968173), wk = 0.0022222 k( 314) = ( 0.3052978 -0.3052978 0.3052978), wk = 0.0022222 k( 315) = ( 0.3137783 -0.3137783 0.3137783), wk = 0.0022222 k( 316) = ( 0.3222588 -0.3222588 0.3222588), wk = 0.0022222 k( 317) = ( 0.3307393 -0.3307393 0.3307393), wk = 0.0022222 k( 318) = ( 0.3392198 -0.3392198 0.3392198), wk = 0.0022222 k( 319) = ( 0.3477003 -0.3477003 0.3477003), wk = 0.0022222 k( 320) = ( 0.3561808 -0.3561808 0.3561808), wk = 0.0022222 k( 321) = ( 0.3646613 -0.3646613 0.3646613), wk = 0.0022222 k( 322) = ( 0.3731418 -0.3731418 0.3731418), wk = 0.0022222 k( 323) = ( 0.3816223 -0.3816223 0.3816223), wk = 0.0022222 k( 324) = ( 0.3901028 -0.3901028 0.3901028), wk = 0.0022222 k( 325) = ( 0.3985833 -0.3985833 0.3985833), wk = 0.0022222 k( 326) = ( 0.4070638 -0.4070638 0.4070638), wk = 0.0022222 k( 327) = ( 0.4155443 -0.4155442 0.4155442), wk = 0.0022222 k( 328) = ( 0.4240248 -0.4240247 0.4240248), wk = 0.0022222 k( 329) = ( 0.4325052 -0.4325052 0.4325052), wk = 0.0022222 k( 330) = ( 0.4409857 -0.4409857 0.4409857), wk = 0.0022222 k( 331) = ( 0.4494662 -0.4494662 0.4494662), wk = 0.0022222 k( 332) = ( 0.4579467 -0.4579467 0.4579467), wk = 0.0022222 k( 333) = ( 0.4664272 -0.4664272 0.4664272), wk = 0.0022222 k( 334) = ( 0.4664272 -0.4664272 0.4664272), wk = 0.0022222 k( 335) = ( 0.4673107 -0.4541528 0.4541528), wk = 0.0022222 k( 336) = ( 0.4681942 -0.4418784 0.4418784), wk = 0.0022222 k( 337) = ( 0.4690777 -0.4296040 0.4296040), wk = 0.0022222 k( 338) = ( 0.4699612 -0.4173296 0.4173296), wk = 0.0022222 k( 339) = ( 0.4708447 -0.4050552 0.4050552), wk = 0.0022222 k( 340) = ( 0.4717282 -0.3927808 0.3927808), wk = 0.0022222 k( 341) = ( 0.4726117 -0.3805064 0.3805064), wk = 0.0022222 k( 342) = ( 0.4734952 -0.3682320 0.3682320), wk = 0.0022222 k( 343) = ( 0.4743787 -0.3559576 0.3559576), wk = 0.0022222 k( 344) = ( 0.4752622 -0.3436832 0.3436832), wk = 0.0022222 k( 345) = ( 0.4761457 -0.3314088 0.3314088), wk = 0.0022222 k( 346) = ( 0.4770292 -0.3191344 0.3191344), wk = 0.0022222 k( 347) = ( 0.4779126 -0.3068600 0.3068600), wk = 0.0022222 k( 348) = ( 0.4787961 -0.2945856 0.2945856), wk = 0.0022222 k( 349) = ( 0.4796796 -0.2823112 0.2823112), wk = 0.0022222 k( 350) = ( 0.4805631 -0.2700368 0.2700368), wk = 0.0022222 k( 351) = ( 0.4814466 -0.2577624 0.2577624), wk = 0.0022222 k( 352) = ( 0.4823301 -0.2454880 0.2454880), wk = 0.0022222 k( 353) = ( 0.4832136 -0.2332136 0.2332136), wk = 0.0022222 k( 354) = ( 0.4840971 -0.2209392 0.2209392), wk = 0.0022222 k( 355) = ( 0.4849806 -0.2086648 0.2086648), wk = 0.0022222 k( 356) = ( 0.4858641 -0.1963904 0.1963904), wk = 0.0022222 k( 357) = ( 0.4867476 -0.1841160 0.1841160), wk = 0.0022222 k( 358) = ( 0.4876311 -0.1718416 0.1718416), wk = 0.0022222 k( 359) = ( 0.4885146 -0.1595672 0.1595672), wk = 0.0022222 k( 360) = ( 0.4893981 -0.1472928 0.1472928), wk = 0.0022222 k( 361) = ( 0.4902816 -0.1350184 0.1350184), wk = 0.0022222 k( 362) = ( 0.4911651 -0.1227440 0.1227440), wk = 0.0022222 k( 363) = ( 0.4920485 -0.1104696 0.1104696), wk = 0.0022222 k( 364) = ( 0.4929321 -0.0981952 0.0981952), wk = 0.0022222 k( 365) = ( 0.4938155 -0.0859208 0.0859208), wk = 0.0022222 k( 366) = ( 0.4946990 -0.0736464 0.0736464), wk = 0.0022222 k( 367) = ( 0.4955825 -0.0613720 0.0613720), wk = 0.0022222 k( 368) = ( 0.4964660 -0.0490976 0.0490976), wk = 0.0022222 k( 369) = ( 0.4973495 -0.0368232 0.0368232), wk = 0.0022222 k( 370) = ( 0.4982330 -0.0245488 0.0245488), wk = 0.0022222 k( 371) = ( 0.4991165 -0.0122744 0.0122744), wk = 0.0022222 k( 372) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0022222 k( 373) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0022222 k( 374) = ( 0.4943182 0.0056818 0.0056818), wk = 0.0022222 k( 375) = ( 0.4886364 0.0113636 0.0113636), wk = 0.0022222 k( 376) = ( 0.4829545 0.0170454 0.0170455), wk = 0.0022222 k( 377) = ( 0.4772727 0.0227273 0.0227273), wk = 0.0022222 k( 378) = ( 0.4715909 0.0284091 0.0284091), wk = 0.0022222 k( 379) = ( 0.4659091 0.0340909 0.0340909), wk = 0.0022222 k( 380) = ( 0.4602273 0.0397727 0.0397727), wk = 0.0022222 k( 381) = ( 0.4545455 0.0454545 0.0454546), wk = 0.0022222 k( 382) = ( 0.4488636 0.0511364 0.0511364), wk = 0.0022222 k( 383) = ( 0.4431818 0.0568182 0.0568182), wk = 0.0022222 k( 384) = ( 0.4375000 0.0625000 0.0625000), wk = 0.0022222 k( 385) = ( 0.4318182 0.0681818 0.0681818), wk = 0.0022222 k( 386) = ( 0.4261364 0.0738636 0.0738636), wk = 0.0022222 k( 387) = ( 0.4204545 0.0795454 0.0795454), wk = 0.0022222 k( 388) = ( 0.4147727 0.0852273 0.0852273), wk = 0.0022222 k( 389) = ( 0.4090909 0.0909091 0.0909091), wk = 0.0022222 k( 390) = ( 0.4034091 0.0965909 0.0965909), wk = 0.0022222 k( 391) = ( 0.3977273 0.1022727 0.1022727), wk = 0.0022222 k( 392) = ( 0.3920455 0.1079545 0.1079545), wk = 0.0022222 k( 393) = ( 0.3863636 0.1136364 0.1136364), wk = 0.0022222 k( 394) = ( 0.3806818 0.1193182 0.1193182), wk = 0.0022222 k( 395) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0022222 k( 396) = ( 0.3693182 0.1306818 0.1306818), wk = 0.0022222 k( 397) = ( 0.3636364 0.1363636 0.1363636), wk = 0.0022222 k( 398) = ( 0.3579545 0.1420454 0.1420454), wk = 0.0022222 k( 399) = ( 0.3522727 0.1477273 0.1477273), wk = 0.0022222 k( 400) = ( 0.3465909 0.1534091 0.1534091), wk = 0.0022222 k( 401) = ( 0.3409091 0.1590909 0.1590909), wk = 0.0022222 k( 402) = ( 0.3352273 0.1647727 0.1647727), wk = 0.0022222 k( 403) = ( 0.3295455 0.1704545 0.1704545), wk = 0.0022222 k( 404) = ( 0.3238636 0.1761364 0.1761364), wk = 0.0022222 k( 405) = ( 0.3181818 0.1818182 0.1818182), wk = 0.0022222 k( 406) = ( 0.3125000 0.1875000 0.1875000), wk = 0.0022222 k( 407) = ( 0.3068182 0.1931818 0.1931818), wk = 0.0022222 k( 408) = ( 0.3011364 0.1988636 0.1988636), wk = 0.0022222 k( 409) = ( 0.2954545 0.2045454 0.2045455), wk = 0.0022222 k( 410) = ( 0.2897727 0.2102273 0.2102273), wk = 0.0022222 k( 411) = ( 0.2840909 0.2159091 0.2159091), wk = 0.0022222 k( 412) = ( 0.2784091 0.2215909 0.2215909), wk = 0.0022222 k( 413) = ( 0.2727273 0.2272727 0.2272727), wk = 0.0022222 k( 414) = ( 0.2670455 0.2329545 0.2329546), wk = 0.0022222 k( 415) = ( 0.2613636 0.2386364 0.2386364), wk = 0.0022222 k( 416) = ( 0.2556818 0.2443182 0.2443182), wk = 0.0022222 k( 417) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022222 k( 418) = ( 0.3144234 -0.3144234 0.6184310), wk = 0.0022222 k( 419) = ( 0.3200532 -0.3200532 0.6128012), wk = 0.0022222 k( 420) = ( 0.3256830 -0.3256830 0.6071715), wk = 0.0022222 k( 421) = ( 0.3313127 -0.3313127 0.6015417), wk = 0.0022222 k( 422) = ( 0.3369425 -0.3369425 0.5959119), wk = 0.0022222 k( 423) = ( 0.3425723 -0.3425723 0.5902821), wk = 0.0022222 k( 424) = ( 0.3482021 -0.3482021 0.5846524), wk = 0.0022222 k( 425) = ( 0.3538318 -0.3538318 0.5790226), wk = 0.0022222 k( 426) = ( 0.3594616 -0.3594616 0.5733928), wk = 0.0022222 k( 427) = ( 0.3650914 -0.3650914 0.5677631), wk = 0.0022222 k( 428) = ( 0.3707211 -0.3707211 0.5621333), wk = 0.0022222 k( 429) = ( 0.3763509 -0.3763509 0.5565035), wk = 0.0022222 k( 430) = ( 0.3819807 -0.3819807 0.5508738), wk = 0.0022222 k( 431) = ( 0.3876104 -0.3876104 0.5452440), wk = 0.0022222 k( 432) = ( 0.3932402 -0.3932402 0.5396142), wk = 0.0022222 k( 433) = ( 0.3988700 -0.3988700 0.5339845), wk = 0.0022222 k( 434) = ( 0.4044997 -0.4044997 0.5283547), wk = 0.0022222 k( 435) = ( 0.4101295 -0.4101295 0.5227249), wk = 0.0022222 k( 436) = ( 0.4157593 -0.4157593 0.5170951), wk = 0.0022222 k( 437) = ( 0.4213891 -0.4213891 0.5114654), wk = 0.0022222 k( 438) = ( 0.4270188 -0.4270188 0.5058356), wk = 0.0022222 k( 439) = ( 0.4326486 -0.4326486 0.5002058), wk = 0.0022222 k( 440) = ( 0.4382784 -0.4382784 0.4945761), wk = 0.0022222 k( 441) = ( 0.4439081 -0.4439081 0.4889463), wk = 0.0022222 k( 442) = ( 0.4495379 -0.4495379 0.4833165), wk = 0.0022222 k( 443) = ( 0.4551677 -0.4551677 0.4776868), wk = 0.0022222 k( 444) = ( 0.4607974 -0.4607974 0.4720570), wk = 0.0022222 k( 445) = ( 0.4664272 -0.4664272 0.4664272), wk = 0.0022222 k( 446) = ( 0.5335728 0.4664272 -0.4664272), wk = 0.0022222 k( 447) = ( 0.5251796 0.4748204 -0.4748204), wk = 0.0022222 k( 448) = ( 0.5167864 0.4832136 -0.4832136), wk = 0.0022222 k( 449) = ( 0.5083932 0.4916068 -0.4916068), wk = 0.0022222 k( 450) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022222 Dense grid: 36797 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 27683 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 156, 34) NL pseudopotentials 0.07 Mb ( 78, 56) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 768) G-vector shells 0.01 Mb ( 712) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 156, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.06 Mb ( 56, 2, 34) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./NaNO2.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 40.1 secs Computing kpt #: 2 total cpu time spent up to now is 41.2 secs Computing kpt #: 3 total cpu time spent up to now is 42.1 secs Computing kpt #: 4 total cpu time spent up to now is 43.0 secs Computing kpt #: 5 total cpu time spent up to now is 44.0 secs Computing kpt #: 6 total cpu time spent up to now is 45.1 secs Computing kpt #: 7 total cpu time spent up to now is 46.1 secs Computing kpt #: 8 total cpu time spent up to now is 47.1 secs Computing kpt #: 9 total cpu time spent up to now is 48.1 secs Computing kpt #: 10 total cpu time spent up to now is 49.1 secs Computing kpt #: 11 total cpu time spent up to now is 50.1 secs Computing kpt #: 12 total cpu time spent up to now is 51.1 secs Computing kpt #: 13 total cpu time spent up to now is 52.3 secs Computing kpt #: 14 total cpu time spent up to now is 53.2 secs Computing kpt #: 15 total cpu time spent up to now is 54.2 secs Computing kpt #: 16 total cpu time spent up to now is 55.2 secs Computing kpt #: 17 total cpu time spent up to now is 56.1 secs Computing kpt #: 18 total cpu time spent up to now is 57.4 secs Computing kpt #: 19 total cpu time spent up to now is 58.7 secs Computing kpt #: 20 total cpu time spent up to now is 59.9 secs Computing kpt #: 21 total cpu time spent up to now is 60.9 secs Computing kpt #: 22 total cpu time spent up to now is 62.1 secs Computing kpt #: 23 total cpu time spent up to now is 63.2 secs Computing kpt #: 24 total cpu time spent up to now is 64.2 secs Computing kpt #: 25 total cpu time spent up to now is 65.2 secs Computing kpt #: 26 total cpu time spent up to now is 66.2 secs Computing kpt #: 27 total cpu time spent up to now is 67.1 secs Computing kpt #: 28 total cpu time spent up to now is 68.0 secs Computing kpt #: 29 total cpu time spent up to now is 68.8 secs Computing kpt #: 30 total cpu time spent up to now is 69.6 secs Computing kpt #: 31 total cpu time spent up to now is 70.4 secs Computing kpt #: 32 total cpu time spent up to now is 71.2 secs Computing kpt #: 33 total cpu time spent up to now is 71.9 secs Computing kpt #: 34 total cpu time spent up to now is 72.7 secs Computing kpt #: 35 total cpu time spent up to now is 73.4 secs Computing kpt #: 36 total cpu time spent up to now is 74.1 secs Computing kpt #: 37 total cpu time spent up to now is 74.8 secs Computing kpt #: 38 total cpu time spent up to now is 75.6 secs Computing kpt #: 39 total cpu time spent up to now is 76.3 secs Computing kpt #: 40 total cpu time spent up to now is 77.0 secs Computing kpt #: 41 total cpu time spent up to now is 77.8 secs Computing kpt #: 42 total cpu time spent up to now is 78.5 secs Computing kpt #: 43 total cpu time spent up to now is 79.3 secs Computing kpt #: 44 total cpu time spent up to now is 80.0 secs Computing kpt #: 45 total cpu time spent up to now is 80.7 secs Computing kpt #: 46 total cpu time spent up to now is 81.4 secs Computing kpt #: 47 total cpu time spent up to now is 82.1 secs Computing kpt #: 48 total cpu time spent up to now is 82.9 secs Computing kpt #: 49 total cpu time spent up to now is 83.7 secs Computing kpt #: 50 total cpu time spent up to now is 84.6 secs Computing kpt #: 51 total cpu time spent up to now is 86.1 secs Computing kpt #: 52 total cpu time spent up to now is 87.4 secs Computing kpt #: 53 total cpu time spent up to now is 88.7 secs Computing kpt #: 54 total cpu time spent up to now is 90.0 secs Computing kpt #: 55 total cpu time spent up to now is 91.4 secs Computing kpt #: 56 total cpu time spent up to now is 92.2 secs Computing kpt #: 57 total cpu time spent up to now is 93.2 secs Computing kpt #: 58 total cpu time spent up to now is 93.9 secs Computing kpt #: 59 total cpu time spent up to now is 94.8 secs Computing kpt #: 60 total cpu time spent up to now is 95.5 secs Computing kpt #: 61 total cpu time spent up to now is 96.3 secs Computing kpt #: 62 total cpu time spent up to now is 97.0 secs Computing kpt #: 63 total cpu time spent up to now is 97.9 secs Computing kpt #: 64 total cpu time spent up to now is 98.8 secs Computing kpt #: 65 total cpu time spent up to now is 99.8 secs Computing kpt #: 66 total cpu time spent up to now is 100.7 secs Computing kpt #: 67 total cpu time spent up to now is 101.4 secs Computing kpt #: 68 total cpu time spent up to now is 102.2 secs Computing kpt #: 69 total cpu time spent up to now is 103.0 secs Computing kpt #: 70 total cpu time spent up to now is 103.9 secs Computing kpt #: 71 total cpu time spent up to now is 104.8 secs Computing kpt #: 72 total cpu time spent up to now is 105.7 secs Computing kpt #: 73 total cpu time spent up to now is 106.5 secs Computing kpt #: 74 total cpu time spent up to now is 107.4 secs Computing kpt #: 75 total cpu time spent up to now is 108.3 secs Computing kpt #: 76 total cpu time spent up to now is 109.2 secs Computing kpt #: 77 total cpu time spent up to now is 110.1 secs Computing kpt #: 78 total cpu time spent up to now is 110.9 secs Computing kpt #: 79 total cpu time spent up to now is 111.8 secs Computing kpt #: 80 total cpu time spent up to now is 112.7 secs Computing kpt #: 81 total cpu time spent up to now is 113.5 secs Computing kpt #: 82 total cpu time spent up to now is 114.4 secs Computing kpt #: 83 total cpu time spent up to now is 115.3 secs Computing kpt #: 84 total cpu time spent up to now is 116.0 secs Computing kpt #: 85 total cpu time spent up to now is 116.9 secs Computing kpt #: 86 total cpu time spent up to now is 117.7 secs Computing kpt #: 87 total cpu time spent up to now is 118.6 secs Computing kpt #: 88 total cpu time spent up to now is 119.4 secs Computing kpt #: 89 total cpu time spent up to now is 120.2 secs Computing kpt #: 90 total cpu time spent up to now is 121.0 secs Computing kpt #: 91 total cpu time spent up to now is 121.8 secs Computing kpt #: 92 total cpu time spent up to now is 122.7 secs Computing kpt #: 93 total cpu time spent up to now is 123.5 secs Computing kpt #: 94 total cpu time spent up to now is 124.3 secs Computing kpt #: 95 total cpu time spent up to now is 125.1 secs Computing kpt #: 96 total cpu time spent up to now is 125.9 secs Computing kpt #: 97 total cpu time spent up to now is 126.6 secs Computing kpt #: 98 total cpu time spent up to now is 127.5 secs Computing kpt #: 99 total cpu time spent up to now is 128.3 secs Computing kpt #: 100 total cpu time spent up to now is 128.9 secs Computing kpt #: 101 total cpu time spent up to now is 129.8 secs Computing kpt #: 102 total cpu time spent up to now is 130.6 secs Computing kpt #: 103 total cpu time spent up to now is 131.3 secs Computing kpt #: 104 total cpu time spent up to now is 132.0 secs Computing kpt #: 105 total cpu time spent up to now is 132.8 secs Computing kpt #: 106 total cpu time spent up to now is 133.6 secs Computing kpt #: 107 total cpu time spent up to now is 134.4 secs Computing kpt #: 108 total cpu time spent up to now is 135.2 secs Computing kpt #: 109 total cpu time spent up to now is 136.0 secs Computing kpt #: 110 total cpu time spent up to now is 136.7 secs Computing kpt #: 111 total cpu time spent up to now is 137.3 secs Computing kpt #: 112 total cpu time spent up to now is 138.1 secs Computing kpt #: 113 total cpu time spent up to now is 138.8 secs Computing kpt #: 114 total cpu time spent up to now is 139.5 secs Computing kpt #: 115 total cpu time spent up to now is 140.2 secs Computing kpt #: 116 total cpu time spent up to now is 140.8 secs Computing kpt #: 117 total cpu time spent up to now is 141.5 secs Computing kpt #: 118 total cpu time spent up to now is 142.3 secs Computing kpt #: 119 total cpu time spent up to now is 142.9 secs Computing kpt #: 120 total cpu time spent up to now is 143.5 secs Computing kpt #: 121 total cpu time spent up to now is 144.2 secs Computing kpt #: 122 total cpu time spent up to now is 144.8 secs Computing kpt #: 123 total cpu time spent up to now is 145.5 secs Computing kpt #: 124 total cpu time spent up to now is 146.1 secs Computing kpt #: 125 total cpu time spent up to now is 146.8 secs Computing kpt #: 126 total cpu time spent up to now is 147.5 secs Computing kpt #: 127 total cpu time spent up to now is 148.2 secs Computing kpt #: 128 total cpu time spent up to now is 148.8 secs Computing kpt #: 129 total cpu time spent up to now is 149.4 secs Computing kpt #: 130 total cpu time spent up to now is 150.0 secs Computing kpt #: 131 total cpu time spent up to now is 150.7 secs Computing kpt #: 132 total cpu time spent up to now is 151.3 secs Computing kpt #: 133 total cpu time spent up to now is 152.2 secs Computing kpt #: 134 total cpu time spent up to now is 153.0 secs Computing kpt #: 135 total cpu time spent up to now is 153.7 secs Computing kpt #: 136 total cpu time spent up to now is 154.4 secs Computing kpt #: 137 total cpu time spent up to now is 155.2 secs Computing kpt #: 138 total cpu time spent up to now is 156.0 secs Computing kpt #: 139 total cpu time spent up to now is 156.8 secs Computing kpt #: 140 total cpu time spent up to now is 157.7 secs Computing kpt #: 141 total cpu time spent up to now is 158.6 secs Computing kpt #: 142 total cpu time spent up to now is 159.4 secs Computing kpt #: 143 total cpu time spent up to now is 160.2 secs Computing kpt #: 144 total cpu time spent up to now is 161.1 secs Computing kpt #: 145 total cpu time spent up to now is 162.0 secs Computing kpt #: 146 total cpu time spent up to now is 162.8 secs Computing kpt #: 147 total cpu time spent up to now is 163.6 secs Computing kpt #: 148 total cpu time spent up to now is 164.4 secs Computing kpt #: 149 total cpu time spent up to now is 165.1 secs Computing kpt #: 150 total cpu time spent up to now is 165.9 secs Computing kpt #: 151 total cpu time spent up to now is 166.7 secs Computing kpt #: 152 total cpu time spent up to now is 167.4 secs Computing kpt #: 153 total cpu time spent up to now is 168.2 secs Computing kpt #: 154 total cpu time spent up to now is 168.9 secs Computing kpt #: 155 total cpu time spent up to now is 169.7 secs Computing kpt #: 156 total cpu time spent up to now is 170.5 secs Computing kpt #: 157 total cpu time spent up to now is 171.2 secs Computing kpt #: 158 total cpu time spent up to now is 171.9 secs Computing kpt #: 159 total cpu time spent up to now is 172.6 secs Computing kpt #: 160 total cpu time spent up to now is 173.3 secs Computing kpt #: 161 total cpu time spent up to now is 174.0 secs Computing kpt #: 162 total cpu time spent up to now is 174.7 secs Computing kpt #: 163 total cpu time spent up to now is 175.4 secs Computing kpt #: 164 total cpu time spent up to now is 176.2 secs Computing kpt #: 165 total cpu time spent up to now is 176.9 secs Computing kpt #: 166 total cpu time spent up to now is 177.6 secs Computing kpt #: 167 total cpu time spent up to now is 178.3 secs Computing kpt #: 168 total cpu time spent up to now is 179.0 secs Computing kpt #: 169 total cpu time spent up to now is 179.7 secs Computing kpt #: 170 total cpu time spent up to now is 180.4 secs Computing kpt #: 171 total cpu time spent up to now is 181.1 secs Computing kpt #: 172 total cpu time spent up to now is 181.8 secs Computing kpt #: 173 total cpu time spent up to now is 182.6 secs Computing kpt #: 174 total cpu time spent up to now is 183.3 secs Computing kpt #: 175 total cpu time spent up to now is 184.1 secs Computing kpt #: 176 total cpu time spent up to now is 184.8 secs Computing kpt #: 177 total cpu time spent up to now is 185.5 secs Computing kpt #: 178 total cpu time spent up to now is 186.2 secs Computing kpt #: 179 total cpu time spent up to now is 186.9 secs Computing kpt #: 180 total cpu time spent up to now is 187.8 secs Computing kpt #: 181 total cpu time spent up to now is 188.6 secs Computing kpt #: 182 total cpu time spent up to now is 189.3 secs Computing kpt #: 183 total cpu time spent up to now is 190.2 secs Computing kpt #: 184 total cpu time spent up to now is 191.0 secs Computing kpt #: 185 total cpu time spent up to now is 191.8 secs Computing kpt #: 186 total cpu time spent up to now is 192.6 secs Computing kpt #: 187 total cpu time spent up to now is 193.4 secs Computing kpt #: 188 total cpu time spent up to now is 194.4 secs Computing kpt #: 189 total cpu time spent up to now is 195.3 secs Computing kpt #: 190 total cpu time spent up to now is 196.2 secs Computing kpt #: 191 total cpu time spent up to now is 197.1 secs Computing kpt #: 192 total cpu time spent up to now is 197.8 secs Computing kpt #: 193 total cpu time spent up to now is 198.6 secs Computing kpt #: 194 total cpu time spent up to now is 199.5 secs Computing kpt #: 195 total cpu time spent up to now is 200.2 secs Computing kpt #: 196 total cpu time spent up to now is 201.1 secs Computing kpt #: 197 total cpu time spent up to now is 201.9 secs Computing kpt #: 198 total cpu time spent up to now is 202.7 secs Computing kpt #: 199 total cpu time spent up to now is 203.6 secs Computing kpt #: 200 total cpu time spent up to now is 204.4 secs Computing kpt #: 201 total cpu time spent up to now is 205.4 secs Computing kpt #: 202 total cpu time spent up to now is 206.3 secs Computing kpt #: 203 total cpu time spent up to now is 207.2 secs Computing kpt #: 204 total cpu time spent up to now is 207.9 secs Computing kpt #: 205 total cpu time spent up to now is 208.6 secs Computing kpt #: 206 total cpu time spent up to now is 209.4 secs Computing kpt #: 207 total cpu time spent up to now is 210.1 secs Computing kpt #: 208 total cpu time spent up to now is 210.9 secs Computing kpt #: 209 total cpu time spent up to now is 211.7 secs Computing kpt #: 210 total cpu time spent up to now is 212.4 secs Computing kpt #: 211 total cpu time spent up to now is 213.1 secs Computing kpt #: 212 total cpu time spent up to now is 213.8 secs Computing kpt #: 213 total cpu time spent up to now is 214.5 secs Computing kpt #: 214 total cpu time spent up to now is 215.1 secs Computing kpt #: 215 total cpu time spent up to now is 215.8 secs Computing kpt #: 216 total cpu time spent up to now is 216.4 secs Computing kpt #: 217 total cpu time spent up to now is 217.1 secs Computing kpt #: 218 total cpu time spent up to now is 217.7 secs Computing kpt #: 219 total cpu time spent up to now is 218.4 secs Computing kpt #: 220 total cpu time spent up to now is 219.0 secs Computing kpt #: 221 total cpu time spent up to now is 219.6 secs Computing kpt #: 222 total cpu time spent up to now is 220.2 secs Computing kpt #: 223 total cpu time spent up to now is 220.9 secs Computing kpt #: 224 total cpu time spent up to now is 221.5 secs Computing kpt #: 225 total cpu time spent up to now is 222.1 secs Computing kpt #: 226 total cpu time spent up to now is 222.7 secs Computing kpt #: 227 total cpu time spent up to now is 223.4 secs Computing kpt #: 228 total cpu time spent up to now is 224.0 secs Computing kpt #: 229 total cpu time spent up to now is 224.7 secs Computing kpt #: 230 total cpu time spent up to now is 225.3 secs Computing kpt #: 231 total cpu time spent up to now is 226.0 secs Computing kpt #: 232 total cpu time spent up to now is 226.6 secs Computing kpt #: 233 total cpu time spent up to now is 227.2 secs Computing kpt #: 234 total cpu time spent up to now is 227.8 secs Computing kpt #: 235 total cpu time spent up to now is 228.4 secs Computing kpt #: 236 total cpu time spent up to now is 229.0 secs Computing kpt #: 237 total cpu time spent up to now is 229.6 secs Computing kpt #: 238 total cpu time spent up to now is 230.3 secs Computing kpt #: 239 total cpu time spent up to now is 230.9 secs Computing kpt #: 240 total cpu time spent up to now is 231.6 secs Computing kpt #: 241 total cpu time spent up to now is 232.2 secs Computing kpt #: 242 total cpu time spent up to now is 232.9 secs Computing kpt #: 243 total cpu time spent up to now is 233.6 secs Computing kpt #: 244 total cpu time spent up to now is 234.3 secs Computing kpt #: 245 total cpu time spent up to now is 234.9 secs Computing kpt #: 246 total cpu time spent up to now is 235.5 secs Computing kpt #: 247 total cpu time spent up to now is 236.1 secs Computing kpt #: 248 total cpu time spent up to now is 236.8 secs Computing kpt #: 249 total cpu time spent up to now is 237.4 secs Computing kpt #: 250 total cpu time spent up to now is 238.0 secs Computing kpt #: 251 total cpu time spent up to now is 238.7 secs Computing kpt #: 252 total cpu time spent up to now is 239.3 secs Computing kpt #: 253 total cpu time spent up to now is 239.9 secs Computing kpt #: 254 total cpu time spent up to now is 240.7 secs Computing kpt #: 255 total cpu time spent up to now is 241.4 secs Computing kpt #: 256 total cpu time spent up to now is 242.1 secs Computing kpt #: 257 total cpu time spent up to now is 242.8 secs Computing kpt #: 258 total cpu time spent up to now is 243.5 secs Computing kpt #: 259 total cpu time spent up to now is 244.1 secs Computing kpt #: 260 total cpu time spent up to now is 244.8 secs Computing kpt #: 261 total cpu time spent up to now is 245.6 secs Computing kpt #: 262 total cpu time spent up to now is 246.3 secs Computing kpt #: 263 total cpu time spent up to now is 247.0 secs Computing kpt #: 264 total cpu time spent up to now is 247.7 secs Computing kpt #: 265 total cpu time spent up to now is 248.5 secs Computing kpt #: 266 total cpu time spent up to now is 249.4 secs Computing kpt #: 267 total cpu time spent up to now is 250.6 secs Computing kpt #: 268 total cpu time spent up to now is 251.7 secs Computing kpt #: 269 total cpu time spent up to now is 252.6 secs Computing kpt #: 270 total cpu time spent up to now is 253.7 secs Computing kpt #: 271 total cpu time spent up to now is 254.6 secs Computing kpt #: 272 total cpu time spent up to now is 255.6 secs Computing kpt #: 273 total cpu time spent up to now is 256.5 secs Computing kpt #: 274 total cpu time spent up to now is 257.5 secs Computing kpt #: 275 total cpu time spent up to now is 258.4 secs Computing kpt #: 276 total cpu time spent up to now is 259.3 secs Computing kpt #: 277 total cpu time spent up to now is 260.2 secs Computing kpt #: 278 total cpu time spent up to now is 261.2 secs Computing kpt #: 279 total cpu time spent up to now is 262.1 secs Computing kpt #: 280 total cpu time spent up to now is 262.9 secs Computing kpt #: 281 total cpu time spent up to now is 263.8 secs Computing kpt #: 282 total cpu time spent up to now is 264.6 secs Computing kpt #: 283 total cpu time spent up to now is 265.4 secs Computing kpt #: 284 total cpu time spent up to now is 266.1 secs Computing kpt #: 285 total cpu time spent up to now is 266.9 secs Computing kpt #: 286 total cpu time spent up to now is 267.6 secs Computing kpt #: 287 total cpu time spent up to now is 268.4 secs Computing kpt #: 288 total cpu time spent up to now is 269.1 secs Computing kpt #: 289 total cpu time spent up to now is 269.9 secs Computing kpt #: 290 total cpu time spent up to now is 270.7 secs Computing kpt #: 291 total cpu time spent up to now is 271.4 secs Computing kpt #: 292 total cpu time spent up to now is 272.2 secs Computing kpt #: 293 total cpu time spent up to now is 272.9 secs Computing kpt #: 294 total cpu time spent up to now is 273.6 secs Computing kpt #: 295 total cpu time spent up to now is 274.4 secs Computing kpt #: 296 total cpu time spent up to now is 275.1 secs Computing kpt #: 297 total cpu time spent up to now is 275.9 secs Computing kpt #: 298 total cpu time spent up to now is 276.6 secs Computing kpt #: 299 total cpu time spent up to now is 277.4 secs Computing kpt #: 300 total cpu time spent up to now is 278.1 secs Computing kpt #: 301 total cpu time spent up to now is 279.0 secs Computing kpt #: 302 total cpu time spent up to now is 279.7 secs Computing kpt #: 303 total cpu time spent up to now is 280.4 secs Computing kpt #: 304 total cpu time spent up to now is 281.2 secs Computing kpt #: 305 total cpu time spent up to now is 282.1 secs Computing kpt #: 306 total cpu time spent up to now is 282.9 secs Computing kpt #: 307 total cpu time spent up to now is 283.7 secs Computing kpt #: 308 total cpu time spent up to now is 284.5 secs Computing kpt #: 309 total cpu time spent up to now is 285.4 secs Computing kpt #: 310 total cpu time spent up to now is 286.2 secs Computing kpt #: 311 total cpu time spent up to now is 287.0 secs Computing kpt #: 312 total cpu time spent up to now is 287.7 secs Computing kpt #: 313 total cpu time spent up to now is 288.5 secs Computing kpt #: 314 total cpu time spent up to now is 289.3 secs Computing kpt #: 315 total cpu time spent up to now is 290.1 secs Computing kpt #: 316 total cpu time spent up to now is 290.8 secs Computing kpt #: 317 total cpu time spent up to now is 291.5 secs Computing kpt #: 318 total cpu time spent up to now is 292.1 secs Computing kpt #: 319 total cpu time spent up to now is 292.8 secs Computing kpt #: 320 total cpu time spent up to now is 293.4 secs Computing kpt #: 321 total cpu time spent up to now is 294.0 secs Computing kpt #: 322 total cpu time spent up to now is 294.7 secs Computing kpt #: 323 total cpu time spent up to now is 295.4 secs Computing kpt #: 324 total cpu time spent up to now is 296.1 secs Computing kpt #: 325 total cpu time spent up to now is 296.7 secs Computing kpt #: 326 total cpu time spent up to now is 297.4 secs Computing kpt #: 327 total cpu time spent up to now is 298.1 secs Computing kpt #: 328 total cpu time spent up to now is 298.8 secs Computing kpt #: 329 total cpu time spent up to now is 299.5 secs Computing kpt #: 330 total cpu time spent up to now is 300.1 secs Computing kpt #: 331 total cpu time spent up to now is 300.8 secs Computing kpt #: 332 total cpu time spent up to now is 301.5 secs Computing kpt #: 333 total cpu time spent up to now is 302.3 secs Computing kpt #: 334 total cpu time spent up to now is 303.0 secs Computing kpt #: 335 total cpu time spent up to now is 303.7 secs Computing kpt #: 336 total cpu time spent up to now is 304.3 secs Computing kpt #: 337 total cpu time spent up to now is 305.0 secs Computing kpt #: 338 total cpu time spent up to now is 305.7 secs Computing kpt #: 339 total cpu time spent up to now is 306.3 secs Computing kpt #: 340 total cpu time spent up to now is 307.2 secs Computing kpt #: 341 total cpu time spent up to now is 307.9 secs Computing kpt #: 342 total cpu time spent up to now is 308.7 secs Computing kpt #: 343 total cpu time spent up to now is 309.4 secs Computing kpt #: 344 total cpu time spent up to now is 310.2 secs Computing kpt #: 345 total cpu time spent up to now is 310.9 secs Computing kpt #: 346 total cpu time spent up to now is 311.7 secs Computing kpt #: 347 total cpu time spent up to now is 312.5 secs Computing kpt #: 348 total cpu time spent up to now is 313.4 secs Computing kpt #: 349 total cpu time spent up to now is 314.2 secs Computing kpt #: 350 total cpu time spent up to now is 315.0 secs Computing kpt #: 351 total cpu time spent up to now is 315.9 secs Computing kpt #: 352 total cpu time spent up to now is 316.8 secs Computing kpt #: 353 total cpu time spent up to now is 317.5 secs Computing kpt #: 354 total cpu time spent up to now is 318.1 secs Computing kpt #: 355 total cpu time spent up to now is 318.9 secs Computing kpt #: 356 total cpu time spent up to now is 319.7 secs Computing kpt #: 357 total cpu time spent up to now is 320.4 secs Computing kpt #: 358 total cpu time spent up to now is 321.1 secs Computing kpt #: 359 total cpu time spent up to now is 321.9 secs Computing kpt #: 360 total cpu time spent up to now is 322.7 secs Computing kpt #: 361 total cpu time spent up to now is 323.3 secs Computing kpt #: 362 total cpu time spent up to now is 324.0 secs Computing kpt #: 363 total cpu time spent up to now is 324.7 secs Computing kpt #: 364 total cpu time spent up to now is 325.3 secs Computing kpt #: 365 total cpu time spent up to now is 326.0 secs Computing kpt #: 366 total cpu time spent up to now is 326.8 secs Computing kpt #: 367 total cpu time spent up to now is 327.7 secs Computing kpt #: 368 total cpu time spent up to now is 328.3 secs Computing kpt #: 369 total cpu time spent up to now is 329.0 secs Computing kpt #: 370 total cpu time spent up to now is 329.8 secs Computing kpt #: 371 total cpu time spent up to now is 330.4 secs Computing kpt #: 372 total cpu time spent up to now is 331.1 secs Computing kpt #: 373 total cpu time spent up to now is 331.8 secs Computing kpt #: 374 total cpu time spent up to now is 332.6 secs Computing kpt #: 375 total cpu time spent up to now is 333.3 secs Computing kpt #: 376 total cpu time spent up to now is 334.0 secs Computing kpt #: 377 total cpu time spent up to now is 334.7 secs Computing kpt #: 378 total cpu time spent up to now is 335.4 secs Computing kpt #: 379 total cpu time spent up to now is 336.2 secs Computing kpt #: 380 total cpu time spent up to now is 337.0 secs Computing kpt #: 381 total cpu time spent up to now is 337.8 secs Computing kpt #: 382 total cpu time spent up to now is 338.7 secs Computing kpt #: 383 total cpu time spent up to now is 339.5 secs Computing kpt #: 384 total cpu time spent up to now is 340.3 secs Computing kpt #: 385 total cpu time spent up to now is 341.2 secs Computing kpt #: 386 total cpu time spent up to now is 342.0 secs Computing kpt #: 387 total cpu time spent up to now is 342.8 secs Computing kpt #: 388 total cpu time spent up to now is 343.7 secs Computing kpt #: 389 total cpu time spent up to now is 344.6 secs Computing kpt #: 390 total cpu time spent up to now is 345.6 secs Computing kpt #: 391 total cpu time spent up to now is 346.6 secs Computing kpt #: 392 total cpu time spent up to now is 347.5 secs Computing kpt #: 393 total cpu time spent up to now is 348.5 secs Computing kpt #: 394 total cpu time spent up to now is 349.5 secs Computing kpt #: 395 total cpu time spent up to now is 350.5 secs Computing kpt #: 396 total cpu time spent up to now is 351.7 secs Computing kpt #: 397 total cpu time spent up to now is 352.7 secs Computing kpt #: 398 total cpu time spent up to now is 353.4 secs Computing kpt #: 399 total cpu time spent up to now is 354.3 secs Computing kpt #: 400 total cpu time spent up to now is 355.2 secs Computing kpt #: 401 total cpu time spent up to now is 356.1 secs Computing kpt #: 402 total cpu time spent up to now is 357.0 secs Computing kpt #: 403 total cpu time spent up to now is 357.8 secs Computing kpt #: 404 total cpu time spent up to now is 358.6 secs Computing kpt #: 405 total cpu time spent up to now is 359.4 secs Computing kpt #: 406 total cpu time spent up to now is 360.4 secs Computing kpt #: 407 total cpu time spent up to now is 361.2 secs Computing kpt #: 408 total cpu time spent up to now is 361.9 secs Computing kpt #: 409 total cpu time spent up to now is 362.6 secs Computing kpt #: 410 total cpu time spent up to now is 363.3 secs Computing kpt #: 411 total cpu time spent up to now is 363.9 secs Computing kpt #: 412 total cpu time spent up to now is 364.6 secs Computing kpt #: 413 total cpu time spent up to now is 365.3 secs Computing kpt #: 414 total cpu time spent up to now is 365.9 secs Computing kpt #: 415 total cpu time spent up to now is 366.5 secs Computing kpt #: 416 total cpu time spent up to now is 367.2 secs Computing kpt #: 417 total cpu time spent up to now is 367.9 secs Computing kpt #: 418 total cpu time spent up to now is 368.8 secs Computing kpt #: 419 total cpu time spent up to now is 369.6 secs Computing kpt #: 420 total cpu time spent up to now is 370.3 secs Computing kpt #: 421 total cpu time spent up to now is 371.1 secs Computing kpt #: 422 total cpu time spent up to now is 371.8 secs Computing kpt #: 423 total cpu time spent up to now is 372.6 secs Computing kpt #: 424 total cpu time spent up to now is 373.3 secs Computing kpt #: 425 total cpu time spent up to now is 374.1 secs Computing kpt #: 426 total cpu time spent up to now is 374.8 secs Computing kpt #: 427 total cpu time spent up to now is 375.5 secs Computing kpt #: 428 total cpu time spent up to now is 376.4 secs Computing kpt #: 429 total cpu time spent up to now is 377.1 secs Computing kpt #: 430 total cpu time spent up to now is 377.8 secs Computing kpt #: 431 total cpu time spent up to now is 378.5 secs Computing kpt #: 432 total cpu time spent up to now is 379.3 secs Computing kpt #: 433 total cpu time spent up to now is 380.0 secs Computing kpt #: 434 total cpu time spent up to now is 380.8 secs Computing kpt #: 435 total cpu time spent up to now is 381.6 secs Computing kpt #: 436 total cpu time spent up to now is 382.3 secs Computing kpt #: 437 total cpu time spent up to now is 383.0 secs Computing kpt #: 438 total cpu time spent up to now is 383.6 secs Computing kpt #: 439 total cpu time spent up to now is 384.3 secs Computing kpt #: 440 total cpu time spent up to now is 385.2 secs Computing kpt #: 441 total cpu time spent up to now is 386.4 secs Computing kpt #: 442 total cpu time spent up to now is 387.4 secs Computing kpt #: 443 total cpu time spent up to now is 388.6 secs Computing kpt #: 444 total cpu time spent up to now is 389.8 secs Computing kpt #: 445 total cpu time spent up to now is 391.0 secs Computing kpt #: 446 total cpu time spent up to now is 392.0 secs Computing kpt #: 447 total cpu time spent up to now is 392.7 secs Computing kpt #: 448 total cpu time spent up to now is 393.4 secs Computing kpt #: 449 total cpu time spent up to now is 394.0 secs Computing kpt #: 450 total cpu time spent up to now is 394.6 secs ethr = 3.85E-11, avg # of iterations = 27.1 total cpu time spent up to now is 394.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3487 PWs) bands (ev): -47.8825 -47.8825 -22.5958 -22.5958 -19.9303 -19.9303 -19.7623 -19.7623 -19.7352 -19.7352 -17.7725 -17.7725 -7.9307 -7.9307 -4.8476 -4.8476 -4.4485 -4.4485 -4.2507 -4.2507 -0.2092 -0.2092 0.7133 0.7133 1.2203 1.2203 4.7178 4.7178 7.6986 7.6986 12.3400 12.3400 13.7206 13.7206 k =-0.0057 0.0051 0.0114 ( 3487 PWs) bands (ev): -47.8825 -47.8825 -22.5958 -22.5958 -19.9304 -19.9302 -19.7624 -19.7622 -19.7354 -19.7351 -17.7726 -17.7726 -7.9307 -7.9307 -4.8475 -4.8475 -4.4499 -4.4484 -4.2514 -4.2499 -0.2096 -0.2096 0.7134 0.7135 1.2206 1.2207 4.7169 4.7171 7.7003 7.7004 12.3400 12.3401 13.7226 13.7227 k =-0.0114 0.0102 0.0227 ( 3487 PWs) bands (ev): -47.8825 -47.8825 -22.5956 -22.5956 -19.9304 -19.9301 -19.7624 -19.7621 -19.7356 -19.7350 -17.7727 -17.7727 -7.9306 -7.9306 -4.8471 -4.8470 -4.4527 -4.4498 -4.2522 -4.2492 -0.2111 -0.2110 0.7138 0.7139 1.2219 1.2221 4.7146 4.7149 7.7056 7.7059 12.3399 12.3400 13.7287 13.7288 k =-0.0171 0.0153 0.0341 ( 3481 PWs) bands (ev): -47.8825 -47.8825 -22.5954 -22.5954 -19.9305 -19.9299 -19.7624 -19.7620 -19.7358 -19.7348 -17.7729 -17.7729 -7.9305 -7.9304 -4.8463 -4.8463 -4.4568 -4.4527 -4.2528 -4.2484 -0.2135 -0.2134 0.7145 0.7147 1.2240 1.2243 4.7109 4.7112 7.7146 7.7150 12.3397 12.3399 13.7389 13.7390 k =-0.0228 0.0203 0.0454 ( 3485 PWs) bands (ev): -47.8825 -47.8825 -22.5950 -22.5950 -19.9305 -19.9298 -19.7624 -19.7618 -19.7361 -19.7348 -17.7731 -17.7731 -7.9303 -7.9303 -4.8453 -4.8453 -4.4623 -4.4570 -4.2534 -4.2477 -0.2168 -0.2166 0.7155 0.7157 1.2269 1.2273 4.7056 4.7061 7.7271 7.7277 12.3395 12.3398 13.7530 13.7531 k =-0.0285 0.0254 0.0568 ( 3485 PWs) bands (ev): -47.8825 -47.8825 -22.5946 -22.5946 -19.9306 -19.9297 -19.7624 -19.7617 -19.7364 -19.7347 -17.7734 -17.7734 -7.9301 -7.9300 -4.8440 -4.8440 -4.4691 -4.4627 -4.2539 -4.2470 -0.2210 -0.2208 0.7168 0.7171 1.2307 1.2312 4.6990 4.6996 7.7431 7.7439 12.3392 12.3395 13.7710 13.7712 k =-0.0342 0.0305 0.0682 ( 3481 PWs) bands (ev): -47.8824 -47.8824 -22.5941 -22.5940 -19.9306 -19.9295 -19.7623 -19.7615 -19.7366 -19.7347 -17.7738 -17.7738 -7.9298 -7.9298 -4.8424 -4.8424 -4.4772 -4.4698 -4.2542 -4.2462 -0.2260 -0.2258 0.7184 0.7187 1.2353 1.2359 4.6910 4.6917 7.7626 7.7635 12.3387 12.3391 13.7928 13.7930 k =-0.0399 0.0356 0.0795 ( 3477 PWs) bands (ev): -47.8824 -47.8824 -22.5934 -22.5934 -19.9306 -19.9293 -19.7623 -19.7612 -19.7369 -19.7347 -17.7742 -17.7742 -7.9295 -7.9295 -4.8405 -4.8405 -4.4865 -4.4783 -4.2543 -4.2454 -0.2319 -0.2317 0.7202 0.7206 1.2406 1.2413 4.6817 4.6826 7.7855 7.7866 12.3380 12.3385 13.8182 13.8184 k =-0.0456 0.0407 0.0909 ( 3481 PWs) bands (ev): -47.8824 -47.8824 -22.5927 -22.5926 -19.9306 -19.9292 -19.7622 -19.7610 -19.7373 -19.7347 -17.7748 -17.7748 -7.9292 -7.9292 -4.8384 -4.8383 -4.4971 -4.4882 -4.2542 -4.2447 -0.2387 -0.2384 0.7224 0.7228 1.2466 1.2474 4.6713 4.6722 7.8118 7.8130 12.3371 12.3377 13.8469 13.8471 k =-0.0513 0.0458 0.1022 ( 3473 PWs) bands (ev): -47.8824 -47.8824 -22.5919 -22.5918 -19.9306 -19.9290 -19.7621 -19.7608 -19.7376 -19.7347 -17.7753 -17.7753 -7.9289 -7.9288 -4.8360 -4.8359 -4.5088 -4.4994 -4.2539 -4.2438 -0.2461 -0.2459 0.7248 0.7253 1.2534 1.2542 4.6597 4.6607 7.8414 7.8427 12.3359 12.3365 13.8786 13.8789 k =-0.0570 0.0509 0.1136 ( 3471 PWs) bands (ev): -47.8823 -47.8823 -22.5910 -22.5909 -19.9306 -19.9288 -19.7619 -19.7605 -19.7380 -19.7348 -17.7760 -17.7760 -7.9285 -7.9284 -4.8333 -4.8332 -4.5216 -4.5119 -4.2535 -4.2428 -0.2544 -0.2541 0.7275 0.7280 1.2608 1.2617 4.6471 4.6481 7.8742 7.8756 12.3344 12.3350 13.9130 13.9133 k =-0.0628 0.0560 0.1249 ( 3471 PWs) bands (ev): -47.8823 -47.8823 -22.5900 -22.5899 -19.9306 -19.9286 -19.7618 -19.7602 -19.7384 -19.7349 -17.7767 -17.7767 -7.9282 -7.9281 -4.8303 -4.8303 -4.5355 -4.5255 -4.2528 -4.2418 -0.2633 -0.2629 0.7305 0.7311 1.2688 1.2698 4.6335 4.6347 7.9100 7.9116 12.3324 12.3331 13.9493 13.9496 k =-0.0685 0.0610 0.1363 ( 3461 PWs) bands (ev): -47.8822 -47.8822 -22.5889 -22.5888 -19.9306 -19.9284 -19.7616 -19.7599 -19.7388 -19.7350 -17.7774 -17.7774 -7.9278 -7.9278 -4.8271 -4.8271 -4.5504 -4.5402 -4.2519 -4.2407 -0.2728 -0.2724 0.7338 0.7344 1.2773 1.2784 4.6191 4.6204 7.9490 7.9506 12.3299 12.3307 13.9865 13.9869 k =-0.0742 0.0661 0.1477 ( 3465 PWs) bands (ev): -47.8822 -47.8822 -22.5878 -22.5877 -19.9306 -19.9282 -19.7614 -19.7597 -19.7392 -19.7351 -17.7783 -17.7783 -7.9275 -7.9274 -4.8237 -4.8237 -4.5662 -4.5559 -4.2509 -4.2396 -0.2828 -0.2824 0.7373 0.7379 1.2864 1.2875 4.6040 4.6053 7.9908 7.9925 12.3268 12.3276 14.0233 14.0237 k =-0.0799 0.0712 0.1590 ( 3473 PWs) bands (ev): -47.8822 -47.8822 -22.5866 -22.5865 -19.9306 -19.9280 -19.7613 -19.7594 -19.7397 -19.7353 -17.7792 -17.7791 -7.9272 -7.9272 -4.8201 -4.8200 -4.5828 -4.5725 -4.2497 -4.2383 -0.2933 -0.2929 0.7410 0.7417 1.2959 1.2970 4.5883 4.5896 8.0354 8.0372 12.3230 12.3239 14.0573 14.0578 k =-0.0856 0.0763 0.1704 ( 3475 PWs) bands (ev): -47.8822 -47.8822 -22.5853 -22.5852 -19.9306 -19.9279 -19.7611 -19.7592 -19.7401 -19.7354 -17.7801 -17.7801 -7.9270 -7.9269 -4.8162 -4.8162 -4.6001 -4.5899 -4.2484 -4.2370 -0.3043 -0.3038 0.7450 0.7458 1.3058 1.3070 4.5721 4.5735 8.0828 8.0847 12.3185 12.3195 14.0850 14.0856 k =-0.0913 0.0814 0.1817 ( 3471 PWs) bands (ev): -47.8821 -47.8821 -22.5839 -22.5838 -19.9306 -19.9277 -19.7609 -19.7589 -19.7405 -19.7356 -17.7811 -17.7811 -7.9268 -7.9268 -4.8121 -4.8121 -4.6180 -4.6080 -4.2469 -4.2356 -0.3156 -0.3151 0.7493 0.7501 1.3160 1.3173 4.5555 4.5569 8.1328 8.1347 12.3132 12.3142 14.1009 14.1016 k =-0.0970 0.0865 0.1931 ( 3467 PWs) bands (ev): -47.8821 -47.8821 -22.5825 -22.5824 -19.9306 -19.9275 -19.7607 -19.7586 -19.7409 -19.7357 -17.7821 -17.7821 -7.9267 -7.9266 -4.8079 -4.8078 -4.6365 -4.6266 -4.2453 -4.2341 -0.3272 -0.3267 0.7539 0.7547 1.3266 1.3279 4.5386 4.5401 8.1852 8.1872 12.3069 12.3080 14.0986 14.0993 k =-0.1027 0.0916 0.2045 ( 3467 PWs) bands (ev): -47.8820 -47.8820 -22.5811 -22.5810 -19.9306 -19.9273 -19.7605 -19.7584 -19.7413 -19.7359 -17.7832 -17.7832 -7.9267 -7.9266 -4.8034 -4.8033 -4.6554 -4.6457 -4.2436 -4.2325 -0.3390 -0.3384 0.7586 0.7595 1.3374 1.3387 4.5215 4.5231 8.2401 8.2421 12.2997 12.3008 14.0732 14.0740 k =-0.1084 0.0967 0.2158 ( 3475 PWs) bands (ev): -47.8820 -47.8820 -22.5796 -22.5795 -19.9307 -19.9272 -19.7604 -19.7582 -19.7417 -19.7361 -17.7843 -17.7843 -7.9268 -7.9267 -4.7988 -4.7987 -4.6747 -4.6652 -4.2419 -4.2310 -0.3510 -0.3504 0.7636 0.7646 1.3484 1.3497 4.5044 4.5060 8.2972 8.2992 12.2913 12.2925 14.0251 14.0260 k =-0.1141 0.1017 0.2272 ( 3471 PWs) bands (ev): -47.8819 -47.8819 -22.5780 -22.5779 -19.9307 -19.9270 -19.7602 -19.7580 -19.7420 -19.7362 -17.7854 -17.7854 -7.9270 -7.9269 -4.7940 -4.7939 -4.6941 -4.6848 -4.2401 -4.2294 -0.3630 -0.3624 0.7689 0.7698 1.3595 1.3608 4.4874 4.4890 8.3565 8.3585 12.2817 12.2830 13.9594 13.9604 k =-0.1198 0.1068 0.2385 ( 3465 PWs) bands (ev): -47.8819 -47.8819 -22.5765 -22.5763 -19.9307 -19.9268 -19.7600 -19.7578 -19.7423 -19.7363 -17.7866 -17.7866 -7.9273 -7.9272 -4.7890 -4.7889 -4.7136 -4.7046 -4.2383 -4.2278 -0.3750 -0.3744 0.7743 0.7753 1.3707 1.3721 4.4705 4.4722 8.4178 8.4198 12.2709 12.2722 13.8819 13.8830 k =-0.1255 0.1119 0.2499 ( 3461 PWs) bands (ev): -47.8818 -47.8818 -22.5748 -22.5747 -19.9307 -19.9267 -19.7598 -19.7576 -19.7426 -19.7365 -17.7879 -17.7879 -7.9278 -7.9277 -4.7840 -4.7838 -4.7332 -4.7244 -4.2365 -4.2262 -0.3870 -0.3863 0.7800 0.7810 1.3820 1.3833 4.4540 4.4556 8.4811 8.4831 12.2587 12.2601 13.7971 13.7984 k =-0.1312 0.1170 0.2613 ( 3465 PWs) bands (ev): -47.8818 -47.8818 -22.5732 -22.5730 -19.9308 -19.9265 -19.7597 -19.7575 -19.7429 -19.7366 -17.7891 -17.7891 -7.9284 -7.9284 -4.7789 -4.7786 -4.7525 -4.7442 -4.2347 -4.2246 -0.3988 -0.3981 0.7859 0.7870 1.3933 1.3946 4.4378 4.4394 8.5461 8.5481 12.2451 12.2466 13.7081 13.7096 k =-0.1369 0.1221 0.2726 ( 3463 PWs) bands (ev): -47.8817 -47.8817 -22.5715 -22.5714 -19.9308 -19.9264 -19.7596 -19.7574 -19.7432 -19.7368 -17.7904 -17.7904 -7.9292 -7.9292 -4.7755 -4.7732 -4.7699 -4.7637 -4.2330 -4.2230 -0.4104 -0.4096 0.7919 0.7931 1.4045 1.4058 4.4220 4.4237 8.6129 8.6148 12.2301 12.2316 13.6169 13.6186 k =-0.1426 0.1272 0.2840 ( 3455 PWs) bands (ev): -47.8817 -47.8817 -22.5698 -22.5697 -19.9309 -19.9263 -19.7594 -19.7574 -19.7433 -19.7369 -17.7917 -17.7917 -7.9302 -7.9301 -4.7915 -4.7830 -4.7678 -4.7675 -4.2312 -4.2215 -0.4217 -0.4209 0.7982 0.7994 1.4157 1.4170 4.4069 4.4086 8.6812 8.6831 12.2135 12.2151 13.5247 13.5266 k =-0.1483 0.1323 0.2953 ( 3455 PWs) bands (ev): -47.8816 -47.8816 -22.5682 -22.5680 -19.9310 -19.9262 -19.7593 -19.7574 -19.7435 -19.7370 -17.7931 -17.7930 -7.9313 -7.9313 -4.8100 -4.8019 -4.7623 -4.7621 -4.2296 -4.2201 -0.4327 -0.4318 0.8046 0.8058 1.4267 1.4280 4.3924 4.3941 8.7510 8.7529 12.1954 12.1971 13.4323 13.4344 k =-0.1540 0.1373 0.3067 ( 3455 PWs) bands (ev): -47.8816 -47.8816 -22.5665 -22.5663 -19.9311 -19.9262 -19.7593 -19.7574 -19.7437 -19.7371 -17.7944 -17.7944 -7.9327 -7.9327 -4.8281 -4.8203 -4.7567 -4.7566 -4.2281 -4.2188 -0.4433 -0.4424 0.8112 0.8125 1.4376 1.4388 4.3787 4.3804 8.8221 8.8239 12.1757 12.1775 13.3403 13.3426 k =-0.1597 0.1424 0.3181 ( 3455 PWs) bands (ev): -47.8815 -47.8815 -22.5648 -22.5646 -19.9312 -19.9261 -19.7592 -19.7575 -19.7438 -19.7372 -17.7958 -17.7958 -7.9344 -7.9343 -4.8458 -4.8382 -4.7511 -4.7509 -4.2266 -4.2176 -0.4533 -0.4524 0.8180 0.8193 1.4483 1.4495 4.3658 4.3675 8.8944 8.8962 12.1544 12.1563 13.2492 13.2516 k =-0.1654 0.1475 0.3294 ( 3463 PWs) bands (ev): -47.8815 -47.8815 -22.5631 -22.5629 -19.9313 -19.9261 -19.7592 -19.7576 -19.7440 -19.7374 -17.7972 -17.7971 -7.9362 -7.9362 -4.8628 -4.8554 -4.7454 -4.7453 -4.2253 -4.2165 -0.4629 -0.4620 0.8248 0.8262 1.4588 1.4599 4.3538 4.3555 8.9678 8.9695 12.1315 12.1336 13.1591 13.1617 k =-0.1711 0.1526 0.3408 ( 3473 PWs) bands (ev): -47.8815 -47.8815 -22.5614 -22.5612 -19.9315 -19.9262 -19.7593 -19.7578 -19.7441 -19.7375 -17.7986 -17.7985 -7.9384 -7.9383 -4.8791 -4.8720 -4.7397 -4.7396 -4.2241 -4.2155 -0.4719 -0.4709 0.8319 0.8333 1.4690 1.4701 4.3428 4.3445 9.0421 9.0438 12.1071 12.1092 13.0703 13.0731 k =-0.1769 0.1577 0.3521 ( 3475 PWs) bands (ev): -47.8814 -47.8814 -22.5597 -22.5595 -19.9317 -19.9262 -19.7593 -19.7580 -19.7442 -19.7377 -17.8000 -17.7999 -7.9407 -7.9407 -4.8946 -4.8877 -4.7340 -4.7338 -4.2231 -4.2147 -0.4802 -0.4791 0.8390 0.8405 1.4790 1.4800 4.3329 4.3346 9.1173 9.1189 12.0812 12.0834 12.9829 12.9859 k =-0.1826 0.1628 0.3635 ( 3475 PWs) bands (ev): -47.8814 -47.8814 -22.5581 -22.5579 -19.9318 -19.9262 -19.7593 -19.7582 -19.7443 -19.7378 -17.8013 -17.8013 -7.9434 -7.9433 -4.9093 -4.9026 -4.7282 -4.7281 -4.2222 -4.2140 -0.4878 -0.4867 0.8463 0.8478 1.4887 1.4896 4.3241 4.3258 9.1932 9.1947 12.0539 12.0562 12.8970 12.9001 k =-0.1883 0.1679 0.3748 ( 3481 PWs) bands (ev): -47.8814 -47.8814 -22.5565 -22.5562 -19.9320 -19.9263 -19.7594 -19.7584 -19.7444 -19.7379 -17.8027 -17.8027 -7.9463 -7.9462 -4.9230 -4.9165 -4.7225 -4.7224 -4.2215 -4.2135 -0.4947 -0.4935 0.8537 0.8552 1.4980 1.4989 4.3165 4.3181 9.2697 9.2711 12.0251 12.0275 12.8127 12.8159 k =-0.1940 0.1730 0.3862 ( 3477 PWs) bands (ev): -47.8813 -47.8813 -22.5549 -22.5546 -19.9322 -19.9263 -19.7595 -19.7587 -19.7444 -19.7380 -17.8041 -17.8041 -7.9495 -7.9494 -4.9358 -4.9295 -4.7168 -4.7166 -4.2210 -4.2132 -0.5007 -0.4995 0.8613 0.8628 1.5070 1.5079 4.3101 4.3118 9.3465 9.3479 11.9950 11.9975 12.7299 12.7333 k =-0.1997 0.1780 0.3976 ( 3473 PWs) bands (ev): -47.8813 -47.8813 -22.5533 -22.5531 -19.9323 -19.9264 -19.7596 -19.7589 -19.7445 -19.7380 -17.8055 -17.8055 -7.9530 -7.9528 -4.9475 -4.9414 -4.7111 -4.7109 -4.2207 -4.2130 -0.5059 -0.5047 0.8689 0.8704 1.5157 1.5165 4.3050 4.3066 9.4237 9.4249 11.9638 11.9663 12.6488 12.6523 k =-0.2054 0.1831 0.4089 ( 3465 PWs) bands (ev): -47.8813 -47.8813 -22.5518 -22.5515 -19.9325 -19.9264 -19.7597 -19.7591 -19.7445 -19.7381 -17.8068 -17.8068 -7.9567 -7.9566 -4.9581 -4.9522 -4.7054 -4.7052 -4.2206 -4.2131 -0.5102 -0.5090 0.8765 0.8781 1.5240 1.5248 4.3012 4.3029 9.5010 9.5021 11.9313 11.9339 12.5694 12.5730 k =-0.2111 0.1882 0.4203 ( 3465 PWs) bands (ev): -47.8812 -47.8812 -22.5503 -22.5501 -19.9327 -19.9265 -19.7599 -19.7594 -19.7446 -19.7382 -17.8082 -17.8082 -7.9608 -7.9606 -4.9676 -4.9619 -4.6998 -4.6996 -4.2207 -4.2134 -0.5137 -0.5124 0.8843 0.8859 1.5320 1.5326 4.2987 4.3004 9.5782 9.5792 11.8979 11.9005 12.4915 12.4953 k =-0.2168 0.1933 0.4316 ( 3459 PWs) bands (ev): -47.8812 -47.8812 -22.5489 -22.5486 -19.9329 -19.9266 -19.7601 -19.7596 -19.7447 -19.7383 -17.8095 -17.8095 -7.9652 -7.9650 -4.9760 -4.9704 -4.6943 -4.6941 -4.2210 -4.2139 -0.5162 -0.5148 0.8921 0.8937 1.5395 1.5401 4.2977 4.2993 9.6551 9.6561 11.8635 11.8662 12.4154 12.4192 k =-0.2225 0.1984 0.4430 ( 3465 PWs) bands (ev): -47.8812 -47.8812 -22.5475 -22.5472 -19.9331 -19.9268 -19.7603 -19.7599 -19.7449 -19.7384 -17.8108 -17.8108 -7.9698 -7.9696 -4.9832 -4.9777 -4.6888 -4.6886 -4.2216 -4.2146 -0.5177 -0.5163 0.8999 0.9016 1.5467 1.5472 4.2980 4.2997 9.7317 9.7325 11.8282 11.8309 12.3409 12.3448 k =-0.2282 0.2035 0.4544 ( 3457 PWs) bands (ev): -47.8812 -47.8812 -22.5462 -22.5459 -19.9333 -19.9269 -19.7606 -19.7602 -19.7450 -19.7385 -17.8121 -17.8121 -7.9748 -7.9745 -4.9891 -4.9838 -4.6834 -4.6832 -4.2224 -4.2156 -0.5183 -0.5168 0.9078 0.9095 1.5535 1.5539 4.2998 4.3015 9.8076 9.8083 11.7920 11.7949 12.2681 12.2722 k =-0.2339 0.2086 0.4657 ( 3461 PWs) bands (ev): -47.8811 -47.8811 -22.5449 -22.5446 -19.9336 -19.9272 -19.7609 -19.7605 -19.7451 -19.7386 -17.8134 -17.8134 -7.9800 -7.9797 -4.9938 -4.9886 -4.6782 -4.6779 -4.2234 -4.2168 -0.5179 -0.5164 0.9156 0.9174 1.5599 1.5602 4.3030 4.3047 9.8827 9.8833 11.7551 11.7579 12.1972 12.2013 k =-0.2396 0.2137 0.4771 ( 3461 PWs) bands (ev): -47.8811 -47.8811 -22.5437 -22.5434 -19.9338 -19.9274 -19.7612 -19.7608 -19.7453 -19.7387 -17.8146 -17.8146 -7.9856 -7.9853 -4.9971 -4.9922 -4.6730 -4.6727 -4.2247 -4.2182 -0.5164 -0.5149 0.9235 0.9253 1.5658 1.5661 4.3077 4.3093 9.9567 9.9571 11.7174 11.7202 12.1281 12.1323 k =-0.2453 0.2187 0.4884 ( 3461 PWs) bands (ev): -47.8811 -47.8811 -22.5426 -22.5423 -19.9341 -19.9276 -19.7616 -19.7610 -19.7455 -19.7388 -17.8158 -17.8158 -7.9914 -7.9911 -4.9992 -4.9944 -4.6679 -4.6677 -4.2262 -4.2199 -0.5140 -0.5124 0.9313 0.9332 1.5714 1.5716 4.3138 4.3154 10.0294 10.0296 11.6788 11.6817 12.0611 12.0653 k =-0.2510 0.2238 0.4998 ( 3459 PWs) bands (ev): -47.8811 -47.8811 -22.5415 -22.5412 -19.9343 -19.9278 -19.7619 -19.7613 -19.7457 -19.7389 -17.8170 -17.8170 -7.9975 -7.9971 -5.0001 -4.9953 -4.6630 -4.6627 -4.2280 -4.2219 -0.5105 -0.5089 0.9392 0.9410 1.5766 1.5767 4.3214 4.3230 10.1004 10.1005 11.6393 11.6421 11.9962 12.0005 k =-0.2567 0.2289 0.5112 ( 3451 PWs) bands (ev): -47.8811 -47.8811 -22.5405 -22.5401 -19.9345 -19.9280 -19.7623 -19.7616 -19.7459 -19.7390 -17.8181 -17.8181 -8.0039 -8.0035 -4.9996 -4.9950 -4.6581 -4.6578 -4.2300 -4.2240 -0.5059 -0.5043 0.9470 0.9489 1.5814 1.5814 4.3304 4.3320 10.1694 10.1696 11.5988 11.6015 11.9339 11.9382 k =-0.2624 0.2340 0.5225 ( 3455 PWs) bands (ev): -47.8811 -47.8811 -22.5395 -22.5392 -19.9348 -19.9283 -19.7628 -19.7619 -19.7461 -19.7391 -17.8193 -17.8193 -8.0105 -8.0101 -4.9978 -4.9933 -4.6534 -4.6531 -4.2323 -4.2264 -0.5005 -0.4988 0.9548 0.9567 1.5858 1.5858 4.3408 4.3423 10.2361 10.2364 11.5569 11.5595 11.8742 11.8785 k =-0.2681 0.2391 0.5339 ( 3457 PWs) bands (ev): -47.8811 -47.8811 -22.5386 -22.5383 -19.9351 -19.9286 -19.7632 -19.7623 -19.7463 -19.7392 -17.8203 -17.8203 -8.0174 -8.0169 -4.9947 -4.9904 -4.6488 -4.6485 -4.2348 -4.2291 -0.4940 -0.4922 0.9625 0.9644 1.5897 1.5898 4.3526 4.3541 10.3001 10.3007 11.5135 11.5159 11.8175 11.8217 k =-0.2738 0.2442 0.5452 ( 3457 PWs) bands (ev): -47.8811 -47.8811 -22.5378 -22.5375 -19.9354 -19.9290 -19.7637 -19.7626 -19.7465 -19.7393 -17.8214 -17.8214 -8.0245 -8.0240 -4.9904 -4.9861 -4.6444 -4.6441 -4.2375 -4.2320 -0.4864 -0.4847 0.9701 0.9721 1.5932 1.5934 4.3657 4.3673 10.3612 10.3619 11.4685 11.4706 11.7641 11.7681 k =-0.2795 0.2493 0.5566 ( 3461 PWs) bands (ev): -47.8811 -47.8811 -22.5370 -22.5367 -19.9357 -19.9293 -19.7643 -19.7629 -19.7468 -19.7394 -17.8224 -17.8224 -8.0318 -8.0313 -4.9848 -4.9806 -4.6401 -4.6398 -4.2405 -4.2351 -0.4780 -0.4761 0.9777 0.9797 1.5964 1.5966 4.3802 4.3817 10.4188 10.4198 11.4215 11.4233 11.7141 11.7180 k =-0.2852 0.2543 0.5680 ( 3469 PWs) bands (ev): -47.8811 -47.8811 -22.5364 -22.5360 -19.9361 -19.9297 -19.7648 -19.7633 -19.7471 -19.7396 -17.8233 -17.8233 -8.0393 -8.0388 -4.9779 -4.9739 -4.6360 -4.6356 -4.2437 -4.2384 -0.4685 -0.4667 0.9851 0.9871 1.5992 1.5995 4.3960 4.3975 10.4726 10.4739 11.3726 11.3741 11.6677 11.6713 k =-0.2909 0.2594 0.5793 ( 3467 PWs) bands (ev): -47.8812 -47.8812 -22.5357 -22.5354 -19.9364 -19.9301 -19.7654 -19.7637 -19.7473 -19.7396 -17.8243 -17.8243 -8.0470 -8.0465 -4.9699 -4.9660 -4.6319 -4.6316 -4.2471 -4.2420 -0.4582 -0.4563 0.9925 0.9945 1.6017 1.6020 4.4130 4.4145 10.5223 10.5238 11.3219 11.3229 11.6246 11.6280 k =-0.2967 0.2645 0.5907 ( 3459 PWs) bands (ev): -47.8812 -47.8812 -22.5352 -22.5348 -19.9367 -19.9305 -19.7660 -19.7641 -19.7474 -19.7397 -17.8251 -17.8251 -8.0549 -8.0544 -4.9607 -4.9569 -4.6281 -4.6277 -4.2507 -4.2457 -0.4469 -0.4450 0.9998 1.0018 1.6039 1.6043 4.4313 4.4327 10.5672 10.5690 11.2695 11.2701 11.5848 11.5879 k =-0.3024 0.2696 0.6020 ( 3455 PWs) bands (ev): -47.8812 -47.8812 -22.5347 -22.5343 -19.9370 -19.9309 -19.7665 -19.7645 -19.7476 -19.7397 -17.8260 -17.8260 -8.0629 -8.0624 -4.9503 -4.9467 -4.6243 -4.6239 -4.2545 -4.2496 -0.4348 -0.4329 1.0070 1.0090 1.6057 1.6061 4.4507 4.4521 10.6072 10.6093 11.2157 11.2159 11.5478 11.5506 k =-0.3081 0.2747 0.6134 ( 3451 PWs) bands (ev): -47.8812 -47.8812 -22.5342 -22.5339 -19.9373 -19.9313 -19.7672 -19.7649 -19.7477 -19.7398 -17.8268 -17.8268 -8.0711 -8.0705 -4.9389 -4.9353 -4.6207 -4.6204 -4.2585 -4.2537 -0.4219 -0.4199 1.0140 1.0161 1.6072 1.6077 4.4712 4.4726 10.6417 10.6441 11.1607 11.1609 11.5132 11.5158 k =-0.3138 0.2798 0.6247 ( 3451 PWs) bands (ev): -47.8812 -47.8812 -22.5339 -22.5335 -19.9377 -19.9317 -19.7678 -19.7653 -19.7478 -19.7398 -17.8275 -17.8275 -8.0793 -8.0788 -4.9265 -4.9230 -4.6173 -4.6169 -4.2626 -4.2580 -0.4082 -0.4062 1.0209 1.0229 1.6084 1.6089 4.4927 4.4941 10.6704 10.6731 11.1048 11.1054 11.4807 11.4831 k =-0.3195 0.2849 0.6361 ( 3443 PWs) bands (ev): -47.8812 -47.8812 -22.5336 -22.5332 -19.9380 -19.9322 -19.7684 -19.7658 -19.7479 -19.7398 -17.8283 -17.8283 -8.0877 -8.0871 -4.9131 -4.9097 -4.6140 -4.6136 -4.2669 -4.2624 -0.3938 -0.3918 1.0276 1.0297 1.6093 1.6099 4.5152 4.5165 10.6930 10.6960 11.0487 11.0496 11.4498 11.4519 k =-0.3252 0.2900 0.6475 ( 3443 PWs) bands (ev): -47.8812 -47.8812 -22.5333 -22.5330 -19.9384 -19.9327 -19.7691 -19.7663 -19.7479 -19.7399 -17.8289 -17.8289 -8.0961 -8.0955 -4.8988 -4.8955 -4.6108 -4.6105 -4.2714 -4.2670 -0.3787 -0.3767 1.0342 1.0363 1.6100 1.6106 4.5385 4.5398 10.7092 10.7125 10.9928 10.9941 11.4201 11.4221 k =-0.3309 0.2950 0.6588 ( 3443 PWs) bands (ev): -47.8813 -47.8813 -22.5331 -22.5328 -19.9387 -19.9332 -19.7698 -19.7669 -19.7479 -19.7399 -17.8296 -17.8296 -8.1045 -8.1039 -4.8837 -4.8804 -4.6078 -4.6074 -4.2759 -4.2716 -0.3631 -0.3611 1.0406 1.0427 1.6104 1.6110 4.5627 4.5639 10.7183 10.7219 10.9378 10.9395 11.3913 11.3932 k =-0.3366 0.3001 0.6702 ( 3435 PWs) bands (ev): -47.8813 -47.8813 -22.5330 -22.5326 -19.9391 -19.9337 -19.7705 -19.7674 -19.7479 -19.7398 -17.8302 -17.8302 -8.1130 -8.1124 -4.8677 -4.8645 -4.6050 -4.6046 -4.2806 -4.2764 -0.3468 -0.3448 1.0468 1.0490 1.6105 1.6112 4.5876 4.5888 10.7193 10.7231 10.8852 10.8871 11.3633 11.3649 k =-0.3423 0.3052 0.6815 ( 3435 PWs) bands (ev): -47.8813 -47.8813 -22.5329 -22.5326 -19.9395 -19.9343 -19.7712 -19.7680 -19.7478 -19.7398 -17.8308 -17.8308 -8.1214 -8.1208 -4.8511 -4.8480 -4.6022 -4.6018 -4.2853 -4.2812 -0.3301 -0.3281 1.0529 1.0550 1.6105 1.6112 4.6131 4.6143 10.7101 10.7138 10.8374 10.8392 11.3357 11.3372 k =-0.3480 0.3103 0.6929 ( 3443 PWs) bands (ev): -47.8814 -47.8814 -22.5328 -22.5325 -19.9399 -19.9349 -19.7719 -19.7687 -19.7477 -19.7398 -17.8313 -17.8313 -8.1299 -8.1293 -4.8339 -4.8309 -4.5997 -4.5993 -4.2901 -4.2862 -0.3130 -0.3110 1.0588 1.0609 1.6102 1.6109 4.6392 4.6403 10.6874 10.6904 10.7984 10.7996 11.3086 11.3099 k =-0.3480 0.3103 0.6929 ( 3443 PWs) bands (ev): -47.8814 -47.8814 -22.5328 -22.5325 -19.9399 -19.9349 -19.7719 -19.7687 -19.7477 -19.7398 -17.8313 -17.8313 -8.1299 -8.1293 -4.8339 -4.8309 -4.5997 -4.5993 -4.2901 -4.2862 -0.3130 -0.3110 1.0588 1.0609 1.6102 1.6109 4.6392 4.6403 10.6874 10.6904 10.7984 10.7996 11.3086 11.3099 k =-0.3396 0.3028 0.7005 ( 3443 PWs) bands (ev): -47.8814 -47.8814 -22.5328 -22.5325 -19.9400 -19.9349 -19.7719 -19.7687 -19.7477 -19.7398 -17.8313 -17.8313 -8.1293 -8.1287 -4.8338 -4.8308 -4.6002 -4.5998 -4.2898 -4.2858 -0.3136 -0.3116 1.0569 1.0592 1.6107 1.6120 4.6394 4.6406 10.6845 10.6876 10.7984 10.7997 11.3093 11.3106 k =-0.3312 0.2953 0.7080 ( 3447 PWs) bands (ev): -47.8814 -47.8814 -22.5328 -22.5325 -19.9400 -19.9349 -19.7720 -19.7688 -19.7477 -19.7399 -17.8313 -17.8313 -8.1277 -8.1271 -4.8337 -4.8307 -4.6018 -4.6013 -4.2887 -4.2848 -0.3154 -0.3133 1.0513 1.0541 1.6126 1.6148 4.6400 4.6412 10.6755 10.6786 10.7992 10.8007 11.3115 11.3129 k =-0.3228 0.2879 0.7156 ( 3443 PWs) bands (ev): -47.8814 -47.8814 -22.5329 -22.5325 -19.9400 -19.9350 -19.7720 -19.7688 -19.7477 -19.7399 -17.8313 -17.8312 -8.1251 -8.1245 -4.8335 -4.8306 -4.6045 -4.6039 -4.2869 -4.2830 -0.3183 -0.3162 1.0424 1.0457 1.6160 1.6191 4.6411 4.6423 10.6596 10.6627 10.8024 10.8041 11.3153 11.3167 k =-0.3144 0.2804 0.7232 ( 3445 PWs) bands (ev): -47.8814 -47.8814 -22.5329 -22.5326 -19.9401 -19.9350 -19.7721 -19.7689 -19.7477 -19.7399 -17.8313 -17.8312 -8.1214 -8.1208 -4.8333 -4.8305 -4.6082 -4.6074 -4.2844 -4.2805 -0.3223 -0.3202 1.0302 1.0342 1.6207 1.6246 4.6426 4.6437 10.6371 10.6400 10.8092 10.8110 11.3207 11.3221 k =-0.3144 0.2804 0.7232 ( 3445 PWs) bands (ev): -47.8814 -47.8814 -22.5329 -22.5326 -19.9401 -19.9350 -19.7721 -19.7689 -19.7477 -19.7399 -17.8313 -17.8312 -8.1214 -8.1208 -4.8333 -4.8305 -4.6082 -4.6074 -4.2844 -4.2805 -0.3223 -0.3202 1.0302 1.0342 1.6207 1.6246 4.6426 4.6437 10.6371 10.6400 10.8092 10.8110 11.3207 11.3221 k =-0.3043 0.2713 0.7232 ( 3444 PWs) bands (ev): -47.8814 -47.8814 -22.5329 -22.5326 -19.9399 -19.9348 -19.7719 -19.7687 -19.7478 -19.7400 -17.8310 -17.8308 -8.1130 -8.1124 -4.8428 -4.8400 -4.6131 -4.6123 -4.2793 -4.2754 -0.3361 -0.3339 1.0155 1.0199 1.6252 1.6296 4.6298 4.6310 10.6265 10.6293 10.8457 10.8475 11.3413 11.3429 k =-0.2941 0.2623 0.7232 ( 3440 PWs) bands (ev): -47.8813 -47.8813 -22.5329 -22.5325 -19.9398 -19.9347 -19.7716 -19.7685 -19.7478 -19.7401 -17.8305 -17.8304 -8.1040 -8.1034 -4.8522 -4.8493 -4.6186 -4.6176 -4.2739 -4.2699 -0.3506 -0.3483 0.9995 1.0042 1.6302 1.6350 4.6176 4.6188 10.6123 10.6149 10.8859 10.8877 11.3630 11.3647 k =-0.2840 0.2532 0.7232 ( 3442 PWs) bands (ev): -47.8813 -47.8813 -22.5328 -22.5325 -19.9397 -19.9346 -19.7715 -19.7685 -19.7478 -19.7402 -17.8300 -17.8298 -8.0944 -8.0938 -4.8614 -4.8586 -4.6243 -4.6233 -4.2683 -4.2642 -0.3657 -0.3634 0.9823 0.9873 1.6353 1.6404 4.6060 4.6072 10.5964 10.5989 10.9284 10.9303 11.3856 11.3875 k =-0.2739 0.2442 0.7232 ( 3442 PWs) bands (ev): -47.8813 -47.8813 -22.5328 -22.5325 -19.9397 -19.9346 -19.7714 -19.7685 -19.7478 -19.7403 -17.8294 -17.8292 -8.0843 -8.0838 -4.8706 -4.8679 -4.6304 -4.6294 -4.2624 -4.2584 -0.3813 -0.3790 0.9642 0.9695 1.6406 1.6460 4.5950 4.5962 10.5797 10.5820 10.9724 10.9743 11.4091 11.4111 k =-0.2637 0.2351 0.7232 ( 3448 PWs) bands (ev): -47.8813 -47.8813 -22.5328 -22.5325 -19.9397 -19.9347 -19.7715 -19.7686 -19.7478 -19.7404 -17.8287 -17.8285 -8.0737 -8.0732 -4.8798 -4.8771 -4.6367 -4.6356 -4.2564 -4.2523 -0.3974 -0.3950 0.9454 0.9508 1.6459 1.6514 4.5847 4.5858 10.5629 10.5651 11.0173 11.0193 11.4334 11.4354 k =-0.2536 0.2261 0.7232 ( 3456 PWs) bands (ev): -47.8813 -47.8813 -22.5327 -22.5324 -19.9398 -19.9349 -19.7716 -19.7688 -19.7479 -19.7406 -17.8278 -17.8277 -8.0627 -8.0622 -4.8890 -4.8863 -4.6431 -4.6419 -4.2502 -4.2462 -0.4140 -0.4115 0.9260 0.9315 1.6511 1.6568 4.5750 4.5761 10.5463 10.5484 11.0626 11.0647 11.4582 11.4603 k =-0.2434 0.2171 0.7232 ( 3455 PWs) bands (ev): -47.8813 -47.8813 -22.5326 -22.5323 -19.9399 -19.9351 -19.7717 -19.7691 -19.7478 -19.7408 -17.8269 -17.8267 -8.0514 -8.0509 -4.8982 -4.8956 -4.6495 -4.6482 -4.2440 -4.2400 -0.4308 -0.4283 0.9062 0.9118 1.6562 1.6620 4.5659 4.5671 10.5303 10.5322 11.1079 11.1101 11.4837 11.4858 k =-0.2333 0.2080 0.7232 ( 3455 PWs) bands (ev): -47.8813 -47.8813 -22.5325 -22.5322 -19.9400 -19.9353 -19.7720 -19.7694 -19.7478 -19.7409 -17.8259 -17.8257 -8.0397 -8.0392 -4.9075 -4.9050 -4.6557 -4.6543 -4.2377 -4.2337 -0.4478 -0.4453 0.8861 0.8917 1.6612 1.6670 4.5576 4.5587 10.5148 10.5167 11.1529 11.1554 11.5096 11.5117 k =-0.2231 0.1990 0.7232 ( 3459 PWs) bands (ev): -47.8813 -47.8813 -22.5323 -22.5321 -19.9402 -19.9357 -19.7723 -19.7699 -19.7477 -19.7411 -17.8248 -17.8246 -8.0278 -8.0273 -4.9169 -4.9145 -4.6617 -4.6603 -4.2315 -4.2276 -0.4650 -0.4625 0.8659 0.8715 1.6660 1.6718 4.5498 4.5509 10.5002 10.5019 11.1974 11.2000 11.5360 11.5381 k =-0.2130 0.1899 0.7232 ( 3467 PWs) bands (ev): -47.8813 -47.8813 -22.5322 -22.5319 -19.9405 -19.9361 -19.7727 -19.7704 -19.7477 -19.7414 -17.8236 -17.8234 -8.0157 -8.0153 -4.9264 -4.9241 -4.6674 -4.6659 -4.2254 -4.2215 -0.4822 -0.4797 0.8455 0.8511 1.6706 1.6763 4.5427 4.5438 10.4863 10.4879 11.2409 11.2438 11.5629 11.5649 k =-0.2029 0.1809 0.7232 ( 3471 PWs) bands (ev): -47.8812 -47.8812 -22.5320 -22.5317 -19.9407 -19.9366 -19.7732 -19.7710 -19.7476 -19.7416 -17.8223 -17.8221 -8.0035 -8.0031 -4.9361 -4.9339 -4.6728 -4.6712 -4.2193 -4.2155 -0.4993 -0.4968 0.8253 0.8307 1.6750 1.6805 4.5362 4.5373 10.4732 10.4747 11.2831 11.2863 11.5904 11.5923 k =-0.1927 0.1718 0.7232 ( 3471 PWs) bands (ev): -47.8812 -47.8812 -22.5318 -22.5315 -19.9411 -19.9371 -19.7737 -19.7716 -19.7475 -19.7418 -17.8209 -17.8207 -7.9913 -7.9909 -4.9459 -4.9438 -4.6776 -4.6760 -4.2134 -4.2097 -0.5163 -0.5137 0.8052 0.8105 1.6792 1.6846 4.5304 4.5315 10.4609 10.4624 11.3236 11.3271 11.6185 11.6203 k =-0.1826 0.1628 0.7232 ( 3471 PWs) bands (ev): -47.8812 -47.8812 -22.5316 -22.5313 -19.9414 -19.9377 -19.7743 -19.7723 -19.7475 -19.7420 -17.8195 -17.8192 -7.9790 -7.9787 -4.9559 -4.9539 -4.6820 -4.6803 -4.2077 -4.2040 -0.5330 -0.5304 0.7853 0.7905 1.6831 1.6883 4.5252 4.5262 10.4495 10.4509 11.3620 11.3658 11.6476 11.6492 k =-0.1724 0.1537 0.7232 ( 3470 PWs) bands (ev): -47.8812 -47.8812 -22.5313 -22.5311 -19.9418 -19.9383 -19.7749 -19.7730 -19.7473 -19.7422 -17.8180 -17.8177 -7.9669 -7.9666 -4.9659 -4.9641 -4.6858 -4.6841 -4.2023 -4.1987 -0.5492 -0.5467 0.7658 0.7709 1.6868 1.6919 4.5205 4.5215 10.4389 10.4402 11.3979 11.4020 11.6777 11.6793 k =-0.1623 0.1447 0.7232 ( 3470 PWs) bands (ev): -47.8812 -47.8812 -22.5311 -22.5308 -19.9422 -19.9389 -19.7756 -19.7738 -19.7472 -19.7424 -17.8164 -17.8162 -7.9550 -7.9547 -4.9760 -4.9743 -4.6891 -4.6874 -4.1970 -4.1935 -0.5650 -0.5625 0.7467 0.7516 1.6903 1.6951 4.5163 4.5173 10.4291 10.4303 11.4309 11.4353 11.7092 11.7108 k =-0.1521 0.1357 0.7232 ( 3466 PWs) bands (ev): -47.8812 -47.8812 -22.5308 -22.5306 -19.9426 -19.9396 -19.7763 -19.7746 -19.7471 -19.7426 -17.8149 -17.8146 -7.9433 -7.9430 -4.9862 -4.9846 -4.6918 -4.6901 -4.1921 -4.1887 -0.5802 -0.5778 0.7282 0.7329 1.6936 1.6982 4.5127 4.5136 10.4200 10.4211 11.4609 11.4655 11.7420 11.7437 k =-0.1420 0.1266 0.7232 ( 3470 PWs) bands (ev): -47.8812 -47.8812 -22.5305 -22.5303 -19.9431 -19.9403 -19.7770 -19.7754 -19.7470 -19.7429 -17.8133 -17.8131 -7.9319 -7.9316 -4.9962 -4.9948 -4.6940 -4.6923 -4.1874 -4.1842 -0.5948 -0.5925 0.7103 0.7148 1.6966 1.7010 4.5094 4.5103 10.4117 10.4127 11.4876 11.4923 11.7764 11.7781 k =-0.1319 0.1176 0.7232 ( 3468 PWs) bands (ev): -47.8812 -47.8812 -22.5302 -22.5300 -19.9436 -19.9410 -19.7777 -19.7763 -19.7469 -19.7431 -17.8117 -17.8115 -7.9209 -7.9206 -5.0062 -5.0048 -4.6956 -4.6940 -4.1831 -4.1800 -0.6086 -0.6064 0.6931 0.6973 1.6995 1.7035 4.5067 4.5075 10.4041 10.4051 11.5110 11.5158 11.8121 11.8138 k =-0.1217 0.1085 0.7232 ( 3467 PWs) bands (ev): -47.8812 -47.8812 -22.5299 -22.5297 -19.9441 -19.9417 -19.7785 -19.7771 -19.7468 -19.7433 -17.8102 -17.8099 -7.9103 -7.9101 -5.0158 -5.0146 -4.6969 -4.6953 -4.1791 -4.1762 -0.6216 -0.6195 0.6767 0.6807 1.7021 1.7059 4.5043 4.5051 10.3972 10.3981 11.5314 11.5361 11.8488 11.8506 k =-0.1116 0.0995 0.7232 ( 3469 PWs) bands (ev): -47.8812 -47.8812 -22.5296 -22.5295 -19.9446 -19.9424 -19.7792 -19.7779 -19.7467 -19.7435 -17.8087 -17.8085 -7.9003 -7.9001 -5.0252 -5.0241 -4.6977 -4.6961 -4.1755 -4.1727 -0.6338 -0.6318 0.6612 0.6650 1.7045 1.7080 4.5023 4.5030 10.3910 10.3918 11.5490 11.5535 11.8861 11.8879 k =-0.1014 0.0904 0.7232 ( 3469 PWs) bands (ev): -47.8812 -47.8812 -22.5294 -22.5292 -19.9450 -19.9431 -19.7798 -19.7787 -19.7465 -19.7437 -17.8072 -17.8070 -7.8909 -7.8907 -5.0342 -5.0331 -4.6982 -4.6967 -4.1721 -4.1696 -0.6450 -0.6432 0.6468 0.6502 1.7067 1.7099 4.5006 4.5013 10.3854 10.3861 11.5639 11.5682 11.9236 11.9252 k =-0.0913 0.0814 0.7232 ( 3467 PWs) bands (ev): -47.8811 -47.8811 -22.5291 -22.5290 -19.9455 -19.9438 -19.7805 -19.7794 -19.7464 -19.7438 -17.8058 -17.8057 -7.8822 -7.8820 -5.0426 -5.0417 -4.6983 -4.6969 -4.1691 -4.1668 -0.6553 -0.6536 0.6334 0.6365 1.7087 1.7116 4.4992 4.4998 10.3804 10.3810 11.5766 11.5806 11.9605 11.9621 k =-0.0811 0.0724 0.7232 ( 3474 PWs) bands (ev): -47.8812 -47.8812 -22.5289 -22.5287 -19.9459 -19.9445 -19.7811 -19.7802 -19.7463 -19.7440 -17.8046 -17.8044 -7.8742 -7.8740 -5.0504 -5.0496 -4.6983 -4.6970 -4.1665 -4.1644 -0.6646 -0.6630 0.6211 0.6240 1.7105 1.7131 4.4981 4.4986 10.3760 10.3765 11.5873 11.5909 11.9963 11.9978 k =-0.0710 0.0633 0.7232 ( 3467 PWs) bands (ev): -47.8811 -47.8811 -22.5286 -22.5285 -19.9463 -19.9450 -19.7816 -19.7808 -19.7462 -19.7442 -17.8034 -17.8033 -7.8670 -7.8668 -5.0575 -5.0568 -4.6980 -4.6968 -4.1642 -4.1623 -0.6728 -0.6714 0.6102 0.6127 1.7122 1.7144 4.4972 4.4977 10.3721 10.3726 11.5962 11.5994 12.0304 12.0317 k =-0.0609 0.0543 0.7232 ( 3469 PWs) bands (ev): -47.8811 -47.8811 -22.5284 -22.5283 -19.9466 -19.9456 -19.7821 -19.7814 -19.7461 -19.7444 -17.8024 -17.8022 -7.8606 -7.8605 -5.0638 -5.0632 -4.6977 -4.6966 -4.1622 -4.1605 -0.6799 -0.6787 0.6005 0.6027 1.7136 1.7155 4.4964 4.4969 10.3689 10.3693 11.6035 11.6063 12.0620 12.0632 k =-0.0507 0.0452 0.7232 ( 3467 PWs) bands (ev): -47.8811 -47.8811 -22.5282 -22.5282 -19.9469 -19.9460 -19.7825 -19.7819 -19.7459 -19.7445 -17.8015 -17.8013 -7.8551 -7.8550 -5.0693 -5.0688 -4.6972 -4.6964 -4.1605 -4.1591 -0.6860 -0.6850 0.5923 0.5941 1.7148 1.7164 4.4959 4.4962 10.3661 10.3665 11.6095 11.6118 12.0904 12.0914 k =-0.0406 0.0362 0.7232 ( 3472 PWs) bands (ev): -47.8811 -47.8811 -22.5281 -22.5280 -19.9472 -19.9465 -19.7828 -19.7823 -19.7458 -19.7447 -17.8007 -17.8006 -7.8506 -7.8505 -5.0739 -5.0735 -4.6968 -4.6961 -4.1591 -4.1580 -0.6910 -0.6901 0.5855 0.5870 1.7158 1.7171 4.4954 4.4957 10.3639 10.3642 11.6142 11.6161 12.1150 12.1158 k =-0.0304 0.0271 0.7232 ( 3470 PWs) bands (ev): -47.8811 -47.8811 -22.5280 -22.5279 -19.9474 -19.9468 -19.7831 -19.7827 -19.7457 -19.7448 -17.8001 -17.8000 -7.8470 -7.8469 -5.0775 -5.0772 -4.6964 -4.6959 -4.1580 -4.1571 -0.6948 -0.6942 0.5802 0.5813 1.7166 1.7176 4.4951 4.4953 10.3622 10.3624 11.6178 11.6193 12.1350 12.1356 k =-0.0203 0.0181 0.7232 ( 3470 PWs) bands (ev): -47.8811 -47.8811 -22.5279 -22.5278 -19.9475 -19.9471 -19.7832 -19.7830 -19.7455 -19.7450 -17.7997 -17.7996 -7.8444 -7.8444 -5.0801 -5.0799 -4.6961 -4.6957 -4.1572 -4.1566 -0.6975 -0.6971 0.5764 0.5772 1.7173 1.7179 4.4949 4.4951 10.3610 10.3612 11.6204 11.6214 12.1498 12.1502 k =-0.0101 0.0090 0.7232 ( 3466 PWs) bands (ev): -47.8811 -47.8811 -22.5278 -22.5278 -19.9475 -19.9473 -19.7833 -19.7832 -19.7454 -19.7451 -17.7994 -17.7994 -7.8429 -7.8428 -5.0816 -5.0815 -4.6958 -4.6956 -4.1566 -4.1563 -0.6991 -0.6989 0.5742 0.5746 1.7177 1.7181 4.4948 4.4949 10.3603 10.3604 11.6221 11.6225 12.1589 12.1592 k = 0.0000 0.0000 0.7232 ( 3460 PWs) bands (ev): -47.8811 -47.8811 -22.5278 -22.5278 -19.9474 -19.9474 -19.7832 -19.7832 -19.7452 -19.7452 -17.7993 -17.7993 -7.8423 -7.8423 -5.0821 -5.0821 -4.6956 -4.6956 -4.1563 -4.1563 -0.6996 -0.6996 0.5737 0.5737 1.7180 1.7180 4.4949 4.4949 10.3601 10.3601 11.6228 11.6228 12.1621 12.1621 k = 0.0000 0.0000 0.7232 ( 3460 PWs) bands (ev): -47.8811 -47.8811 -22.5278 -22.5278 -19.9474 -19.9474 -19.7832 -19.7832 -19.7452 -19.7452 -17.7993 -17.7993 -7.8423 -7.8423 -5.0821 -5.0821 -4.6956 -4.6956 -4.1563 -4.1563 -0.6996 -0.6996 0.5737 0.5737 1.7180 1.7180 4.4949 4.4949 10.3601 10.3601 11.6228 11.6228 12.1621 12.1621 k = 0.0089 0.0100 0.7232 ( 3468 PWs) bands (ev): -47.8811 -47.8811 -22.5278 -22.5278 -19.9476 -19.9472 -19.7835 -19.7830 -19.7453 -19.7452 -17.7993 -17.7993 -7.8424 -7.8424 -5.0824 -5.0822 -4.6956 -4.6953 -4.1565 -4.1564 -0.6994 -0.6992 0.5736 0.5737 1.7180 1.7180 4.4947 4.4949 10.3610 10.3612 11.6226 11.6229 12.1599 12.1604 k = 0.0179 0.0200 0.7232 ( 3474 PWs) bands (ev): -47.8811 -47.8811 -22.5278 -22.5278 -19.9478 -19.9470 -19.7838 -19.7827 -19.7453 -19.7451 -17.7993 -17.7993 -7.8426 -7.8425 -5.0831 -5.0827 -4.6951 -4.6946 -4.1569 -4.1567 -0.6986 -0.6983 0.5737 0.5738 1.7180 1.7180 4.4944 4.4949 10.3637 10.3642 11.6224 11.6229 12.1538 12.1548 k = 0.0268 0.0300 0.7232 ( 3466 PWs) bands (ev): -47.8811 -47.8811 -22.5279 -22.5279 -19.9479 -19.9467 -19.7840 -19.7824 -19.7452 -19.7449 -17.7994 -17.7992 -7.8428 -7.8428 -5.0841 -5.0836 -4.6943 -4.6935 -4.1575 -4.1572 -0.6973 -0.6969 0.5738 0.5739 1.7179 1.7179 4.4941 4.4949 10.3684 10.3690 11.6222 11.6229 12.1439 12.1454 k = 0.0357 0.0401 0.7232 ( 3468 PWs) bands (ev): -47.8811 -47.8811 -22.5280 -22.5280 -19.9481 -19.9465 -19.7843 -19.7821 -19.7452 -19.7448 -17.7994 -17.7992 -7.8432 -7.8432 -5.0856 -5.0848 -4.6930 -4.6920 -4.1583 -4.1579 -0.6955 -0.6949 0.5739 0.5741 1.7179 1.7179 4.4938 4.4947 10.3749 10.3758 11.6219 11.6228 12.1303 12.1323 k = 0.0446 0.0501 0.7232 ( 3456 PWs) bands (ev): -47.8811 -47.8811 -22.5281 -22.5281 -19.9482 -19.9462 -19.7845 -19.7818 -19.7450 -19.7445 -17.7995 -17.7992 -7.8437 -7.8436 -5.0873 -5.0863 -4.6914 -4.6901 -4.1593 -4.1588 -0.6931 -0.6924 0.5741 0.5743 1.7179 1.7179 4.4933 4.4945 10.3834 10.3845 11.6215 11.6227 12.1132 12.1157 k = 0.0536 0.0601 0.7232 ( 3460 PWs) bands (ev): -47.8811 -47.8811 -22.5282 -22.5282 -19.9483 -19.9459 -19.7847 -19.7815 -19.7449 -19.7443 -17.7995 -17.7992 -7.8443 -7.8442 -5.0893 -5.0882 -4.6895 -4.6880 -4.1605 -4.1599 -0.6903 -0.6894 0.5743 0.5746 1.7178 1.7179 4.4928 4.4943 10.3936 10.3949 11.6211 11.6225 12.0927 12.0956 k = 0.0625 0.0701 0.7232 ( 3460 PWs) bands (ev): -47.8811 -47.8811 -22.5284 -22.5284 -19.9484 -19.9456 -19.7849 -19.7812 -19.7447 -19.7440 -17.7996 -17.7993 -7.8450 -7.8449 -5.0916 -5.0903 -4.6873 -4.6855 -4.1618 -4.1612 -0.6870 -0.6861 0.5745 0.5748 1.7178 1.7178 4.4923 4.4939 10.4057 10.4072 11.6206 11.6222 12.0691 12.0725 k = 0.0714 0.0801 0.7232 ( 3462 PWs) bands (ev): -47.8811 -47.8811 -22.5286 -22.5286 -19.9485 -19.9453 -19.7852 -19.7809 -19.7446 -19.7438 -17.7996 -17.7993 -7.8457 -7.8456 -5.0942 -5.0927 -4.6848 -4.6829 -4.1634 -4.1626 -0.6834 -0.6823 0.5748 0.5751 1.7177 1.7178 4.4916 4.4935 10.4195 10.4212 11.6201 11.6219 12.0427 12.0464 k = 0.0804 0.0901 0.7232 ( 3466 PWs) bands (ev): -47.8811 -47.8811 -22.5288 -22.5288 -19.9486 -19.9451 -19.7854 -19.7806 -19.7444 -19.7435 -17.7997 -17.7993 -7.8466 -7.8464 -5.0969 -5.0953 -4.6822 -4.6800 -4.1650 -4.1642 -0.6794 -0.6782 0.5751 0.5755 1.7177 1.7177 4.4910 4.4931 10.4351 10.4370 11.6196 11.6216 12.0136 12.0177 k = 0.0893 0.1001 0.7232 ( 3468 PWs) bands (ev): -47.8811 -47.8811 -22.5290 -22.5290 -19.9486 -19.9448 -19.7856 -19.7803 -19.7441 -19.7432 -17.7998 -17.7993 -7.8474 -7.8473 -5.0998 -5.0981 -4.6793 -4.6770 -4.1668 -4.1658 -0.6751 -0.6738 0.5754 0.5758 1.7176 1.7176 4.4903 4.4926 10.4523 10.4544 11.6189 11.6212 11.9822 11.9866 k = 0.0982 0.1101 0.7232 ( 3464 PWs) bands (ev): -47.8811 -47.8811 -22.5292 -22.5292 -19.9487 -19.9445 -19.7857 -19.7800 -19.7439 -19.7428 -17.7998 -17.7993 -7.8484 -7.8482 -5.1028 -5.1009 -4.6763 -4.6738 -4.1686 -4.1676 -0.6705 -0.6691 0.5758 0.5762 1.7176 1.7176 4.4896 4.4921 10.4711 10.4734 11.6183 11.6207 11.9488 11.9534 k = 0.1071 0.1202 0.7232 ( 3462 PWs) bands (ev): -47.8811 -47.8811 -22.5295 -22.5295 -19.9487 -19.9441 -19.7859 -19.7797 -19.7436 -19.7424 -17.7999 -17.7994 -7.8493 -7.8492 -5.1059 -5.1039 -4.6733 -4.6706 -4.1705 -4.1694 -0.6658 -0.6643 0.5761 0.5766 1.7175 1.7175 4.4888 4.4915 10.4915 10.4939 11.6176 11.6202 11.9135 11.9185 k = 0.1161 0.1302 0.7232 ( 3466 PWs) bands (ev): -47.8811 -47.8811 -22.5297 -22.5297 -19.9487 -19.9439 -19.7861 -19.7795 -19.7433 -19.7421 -17.7999 -17.7994 -7.8503 -7.8502 -5.1089 -5.1069 -4.6702 -4.6674 -4.1725 -4.1713 -0.6610 -0.6593 0.5765 0.5770 1.7175 1.7175 4.4881 4.4910 10.5132 10.5159 11.6169 11.6196 11.8768 11.8820 k = 0.1250 0.1402 0.7232 ( 3466 PWs) bands (ev): -47.8811 -47.8811 -22.5300 -22.5300 -19.9487 -19.9436 -19.7862 -19.7792 -19.7431 -19.7418 -17.8000 -17.7994 -7.8513 -7.8511 -5.1120 -5.1099 -4.6671 -4.6641 -4.1744 -4.1732 -0.6561 -0.6543 0.5769 0.5774 1.7174 1.7174 4.4873 4.4904 10.5363 10.5391 11.6161 11.6190 11.8389 11.8443 k = 0.1339 0.1502 0.7232 ( 3462 PWs) bands (ev): -47.8811 -47.8811 -22.5302 -22.5302 -19.9487 -19.9433 -19.7864 -19.7789 -19.7428 -19.7414 -17.8001 -17.7995 -7.8523 -7.8521 -5.1150 -5.1128 -4.6640 -4.6609 -4.1764 -4.1751 -0.6512 -0.6493 0.5772 0.5779 1.7174 1.7174 4.4866 4.4898 10.5606 10.5636 11.6153 11.6184 11.8001 11.8057 k = 0.1429 0.1602 0.7232 ( 3460 PWs) bands (ev): -47.8811 -47.8811 -22.5304 -22.5304 -19.9487 -19.9430 -19.7865 -19.7787 -19.7425 -19.7410 -17.8001 -17.7995 -7.8533 -7.8531 -5.1180 -5.1157 -4.6610 -4.6578 -4.1783 -4.1770 -0.6464 -0.6444 0.5776 0.5783 1.7173 1.7173 4.4858 4.4892 10.5859 10.5890 11.6145 11.6177 11.7607 11.7664 k = 0.1518 0.1702 0.7232 ( 3460 PWs) bands (ev): -47.8811 -47.8811 -22.5307 -22.5307 -19.9487 -19.9427 -19.7866 -19.7785 -19.7422 -19.7407 -17.8002 -17.7995 -7.8543 -7.8541 -5.1208 -5.1184 -4.6582 -4.6548 -4.1802 -4.1788 -0.6417 -0.6396 0.5780 0.5787 1.7173 1.7173 4.4851 4.4887 10.6121 10.6154 11.6137 11.6171 11.7211 11.7269 k = 0.1607 0.1802 0.7232 ( 3460 PWs) bands (ev): -47.8811 -47.8811 -22.5309 -22.5309 -19.9487 -19.9425 -19.7867 -19.7782 -19.7419 -19.7403 -17.8003 -17.7996 -7.8552 -7.8550 -5.1235 -5.1211 -4.6554 -4.6520 -4.1820 -4.1805 -0.6371 -0.6350 0.5784 0.5790 1.7172 1.7172 4.4844 4.4881 10.6389 10.6423 11.6129 11.6164 11.6816 11.6875 k = 0.1696 0.1902 0.7232 ( 3466 PWs) bands (ev): -47.8811 -47.8811 -22.5311 -22.5311 -19.9487 -19.9423 -19.7869 -19.7781 -19.7417 -19.7400 -17.8003 -17.7996 -7.8561 -7.8559 -5.1260 -5.1235 -4.6528 -4.6493 -4.1837 -4.1822 -0.6329 -0.6307 0.5787 0.5794 1.7172 1.7172 4.4838 4.4876 10.6662 10.6697 11.6121 11.6157 11.6426 11.6486 k = 0.1786 0.2003 0.7232 ( 3466 PWs) bands (ev): -47.8811 -47.8811 -22.5313 -22.5313 -19.9487 -19.9421 -19.7869 -19.7779 -19.7415 -19.7397 -17.8004 -17.7996 -7.8569 -7.8567 -5.1283 -5.1258 -4.6505 -4.6469 -4.1852 -4.1837 -0.6289 -0.6267 0.5790 0.5797 1.7171 1.7171 4.4832 4.4871 10.6934 10.6970 11.6043 11.6105 11.6115 11.6152 k = 0.1875 0.2103 0.7232 ( 3472 PWs) bands (ev): -47.8811 -47.8811 -22.5315 -22.5315 -19.9487 -19.9419 -19.7871 -19.7778 -19.7413 -19.7395 -17.8004 -17.7997 -7.8577 -7.8574 -5.1305 -5.1279 -4.6483 -4.6447 -4.1867 -4.1851 -0.6253 -0.6230 0.5793 0.5800 1.7171 1.7171 4.4826 4.4866 10.7203 10.7240 11.5677 11.5740 11.6107 11.6145 k = 0.1964 0.2203 0.7232 ( 3476 PWs) bands (ev): -47.8811 -47.8811 -22.5317 -22.5317 -19.9487 -19.9417 -19.7871 -19.7776 -19.7411 -19.7393 -17.8005 -17.7997 -7.8584 -7.8581 -5.1323 -5.1297 -4.6465 -4.6428 -4.1880 -4.1864 -0.6220 -0.6197 0.5795 0.5803 1.7170 1.7170 4.4821 4.4862 10.7463 10.7501 11.5331 11.5395 11.6101 11.6140 k = 0.2054 0.2303 0.7232 ( 3478 PWs) bands (ev): -47.8811 -47.8811 -22.5318 -22.5318 -19.9487 -19.9416 -19.7872 -19.7775 -19.7410 -19.7391 -17.8005 -17.7997 -7.8589 -7.8587 -5.1339 -5.1313 -4.6448 -4.6411 -4.1891 -4.1874 -0.6192 -0.6168 0.5797 0.5805 1.7170 1.7170 4.4817 4.4859 10.7707 10.7746 11.5013 11.5077 11.6095 11.6135 k = 0.2143 0.2403 0.7232 ( 3480 PWs) bands (ev): -47.8811 -47.8811 -22.5319 -22.5319 -19.9487 -19.9415 -19.7873 -19.7774 -19.7408 -19.7390 -17.8005 -17.7997 -7.8594 -7.8592 -5.1353 -5.1326 -4.6434 -4.6397 -4.1900 -4.1883 -0.6168 -0.6144 0.5799 0.5807 1.7170 1.7170 4.4813 4.4856 10.7928 10.7967 11.4730 11.4795 11.6091 11.6130 k = 0.2232 0.2503 0.7232 ( 3480 PWs) bands (ev): -47.8811 -47.8811 -22.5320 -22.5320 -19.9487 -19.9414 -19.7873 -19.7773 -19.7407 -19.7388 -17.8005 -17.7997 -7.8598 -7.8595 -5.1363 -5.1336 -4.6424 -4.6386 -4.1907 -4.1891 -0.6150 -0.6125 0.5801 0.5809 1.7170 1.7170 4.4811 4.4854 10.8116 10.8155 11.4494 11.4559 11.6087 11.6127 k = 0.2321 0.2603 0.7232 ( 3480 PWs) bands (ev): -47.8811 -47.8811 -22.5321 -22.5321 -19.9487 -19.9413 -19.7873 -19.7773 -19.7406 -19.7387 -17.8006 -17.7998 -7.8601 -7.8598 -5.1371 -5.1344 -4.6416 -4.6378 -4.1913 -4.1896 -0.6136 -0.6112 0.5802 0.5810 1.7169 1.7170 4.4809 4.4852 10.8261 10.8300 11.4315 11.4380 11.6084 11.6125 k = 0.2411 0.2704 0.7232 ( 3480 PWs) bands (ev): -47.8811 -47.8811 -22.5321 -22.5321 -19.9487 -19.9413 -19.7874 -19.7773 -19.7406 -19.7386 -17.8006 -17.7998 -7.8603 -7.8600 -5.1375 -5.1348 -4.6411 -4.6373 -4.1916 -4.1899 -0.6128 -0.6103 0.5802 0.5810 1.7169 1.7169 4.4807 4.4851 10.8352 10.8391 11.4202 11.4268 11.6083 11.6123 k = 0.2500 0.2804 0.7232 ( 3480 PWs) bands (ev): -47.8811 -47.8811 -22.5322 -22.5321 -19.9487 -19.9413 -19.7874 -19.7773 -19.7406 -19.7386 -17.8006 -17.7998 -7.8603 -7.8600 -5.1377 -5.1350 -4.6410 -4.6371 -4.1917 -4.1900 -0.6125 -0.6101 0.5803 0.5811 1.7169 1.7169 4.4807 4.4851 10.8384 10.8423 11.4164 11.4230 11.6082 11.6123 k = 0.2500 0.2804 0.7232 ( 3480 PWs) bands (ev): -47.8811 -47.8811 -22.5322 -22.5321 -19.9487 -19.9413 -19.7874 -19.7773 -19.7406 -19.7386 -17.8006 -17.7998 -7.8603 -7.8600 -5.1377 -5.1350 -4.6410 -4.6371 -4.1917 -4.1900 -0.6125 -0.6101 0.5803 0.5811 1.7169 1.7169 4.4807 4.4851 10.8384 10.8423 11.4164 11.4230 11.6082 11.6123 k = 0.2417 0.2878 0.7157 ( 3478 PWs) bands (ev): -47.8811 -47.8811 -22.5322 -22.5322 -19.9486 -19.9412 -19.7873 -19.7772 -19.7405 -19.7386 -17.8006 -17.7998 -7.8608 -7.8605 -5.1371 -5.1344 -4.6414 -4.6376 -4.1916 -4.1899 -0.6123 -0.6099 0.5814 0.5822 1.7167 1.7168 4.4805 4.4848 10.8378 10.8417 11.3925 11.3980 11.6345 11.6374 k = 0.2333 0.2952 0.7081 ( 3480 PWs) bands (ev): -47.8811 -47.8811 -22.5323 -22.5323 -19.9484 -19.9411 -19.7871 -19.7771 -19.7405 -19.7386 -17.8008 -17.7999 -7.8621 -7.8619 -5.1352 -5.1325 -4.6428 -4.6389 -4.1916 -4.1898 -0.6118 -0.6094 0.5846 0.5854 1.7160 1.7162 4.4799 4.4842 10.8360 10.8398 11.3405 11.3446 11.6918 11.6932 k = 0.2250 0.3027 0.7006 ( 3478 PWs) bands (ev): -47.8811 -47.8811 -22.5325 -22.5325 -19.9482 -19.9409 -19.7868 -19.7768 -19.7405 -19.7385 -17.8010 -17.8002 -7.8644 -7.8641 -5.1322 -5.1295 -4.6450 -4.6411 -4.1914 -4.1895 -0.6109 -0.6085 0.5900 0.5908 1.7150 1.7152 4.4789 4.4832 10.8330 10.8368 11.2797 11.2830 11.7598 11.7603 k = 0.2167 0.3101 0.6931 ( 3472 PWs) bands (ev): -47.8811 -47.8811 -22.5327 -22.5327 -19.9478 -19.9405 -19.7864 -19.7764 -19.7404 -19.7385 -17.8013 -17.8005 -7.8675 -7.8672 -5.1280 -5.1253 -4.6481 -4.6441 -4.1913 -4.1893 -0.6096 -0.6072 0.5974 0.5983 1.7135 1.7138 4.4775 4.4818 10.8287 10.8324 11.2169 11.2198 11.8317 11.8319 k = 0.2083 0.3175 0.6856 ( 3476 PWs) bands (ev): -47.8811 -47.8811 -22.5331 -22.5331 -19.9473 -19.9402 -19.7858 -19.7760 -19.7404 -19.7384 -17.8017 -17.8009 -7.8714 -7.8711 -5.1227 -5.1200 -4.6519 -4.6479 -4.1912 -4.1891 -0.6080 -0.6057 0.6068 0.6077 1.7117 1.7120 4.4758 4.4800 10.8231 10.8266 11.1544 11.1570 11.9050 11.9058 k = 0.2000 0.3250 0.6781 ( 3476 PWs) bands (ev): -47.8811 -47.8811 -22.5335 -22.5335 -19.9467 -19.9397 -19.7852 -19.7755 -19.7403 -19.7384 -17.8022 -17.8014 -7.8761 -7.8758 -5.1165 -5.1137 -4.6562 -4.6522 -4.1912 -4.1889 -0.6060 -0.6037 0.6181 0.6191 1.7095 1.7099 4.4737 4.4779 10.8159 10.8192 11.0935 11.0960 11.9789 11.9802 k = 0.1917 0.3324 0.6706 ( 3468 PWs) bands (ev): -47.8811 -47.8811 -22.5339 -22.5339 -19.9460 -19.9392 -19.7844 -19.7749 -19.7402 -19.7383 -17.8028 -17.8020 -7.8815 -7.8812 -5.1093 -5.1065 -4.6611 -4.6569 -4.1914 -4.1889 -0.6036 -0.6014 0.6311 0.6322 1.7069 1.7075 4.4713 4.4754 10.8068 10.8099 11.0348 11.0374 12.0524 12.0542 k = 0.1833 0.3398 0.6631 ( 3466 PWs) bands (ev): -47.8811 -47.8811 -22.5344 -22.5344 -19.9453 -19.9386 -19.7835 -19.7742 -19.7401 -19.7382 -17.8034 -17.8026 -7.8875 -7.8873 -5.1013 -5.0985 -4.6663 -4.6620 -4.1917 -4.1892 -0.6008 -0.5987 0.6458 0.6468 1.7041 1.7047 4.4685 4.4726 10.7953 10.7980 10.9795 10.9822 12.1246 12.1269 k = 0.1750 0.3472 0.6556 ( 3462 PWs) bands (ev): -47.8811 -47.8811 -22.5350 -22.5350 -19.9445 -19.9379 -19.7826 -19.7734 -19.7400 -19.7381 -17.8041 -17.8033 -7.8941 -7.8939 -5.0926 -5.0898 -4.6716 -4.6673 -4.1924 -4.1897 -0.5977 -0.5958 0.6619 0.6630 1.7009 1.7016 4.4654 4.4694 10.7803 10.7824 10.9287 10.9317 12.1946 12.1974 k = 0.1667 0.3547 0.6480 ( 3472 PWs) bands (ev): -47.8811 -47.8811 -22.5356 -22.5356 -19.9437 -19.9373 -19.7816 -19.7727 -19.7399 -19.7380 -17.8048 -17.8041 -7.9012 -7.9010 -5.0835 -5.0807 -4.6770 -4.6726 -4.1934 -4.1906 -0.5944 -0.5925 0.6792 0.6803 1.6975 1.6982 4.4621 4.4660 10.7598 10.7614 10.8845 10.8881 12.2612 12.2646 k = 0.1583 0.3621 0.6405 ( 3472 PWs) bands (ev): -47.8811 -47.8811 -22.5362 -22.5362 -19.9427 -19.9366 -19.7805 -19.7718 -19.7398 -19.7379 -17.8056 -17.8050 -7.9087 -7.9085 -5.0739 -5.0711 -4.6823 -4.6778 -4.1947 -4.1918 -0.5907 -0.5889 0.6976 0.6988 1.6939 1.6947 4.4585 4.4623 10.7320 10.7333 10.8490 10.8531 12.3235 12.3274 k = 0.1500 0.3695 0.6330 ( 3470 PWs) bands (ev): -47.8811 -47.8811 -22.5369 -22.5369 -19.9418 -19.9359 -19.7793 -19.7709 -19.7396 -19.7378 -17.8065 -17.8058 -7.9165 -7.9163 -5.0641 -5.0613 -4.6872 -4.6827 -4.1965 -4.1935 -0.5867 -0.5850 0.7169 0.7182 1.6901 1.6910 4.4547 4.4584 10.6970 10.6983 10.8223 10.8266 12.3803 12.3847 k = 0.1417 0.3770 0.6255 ( 3474 PWs) bands (ev): -47.8811 -47.8811 -22.5376 -22.5376 -19.9408 -19.9352 -19.7781 -19.7700 -19.7395 -19.7376 -17.8074 -17.8067 -7.9245 -7.9243 -5.0543 -5.0515 -4.6917 -4.6871 -4.1987 -4.1957 -0.5825 -0.5809 0.7369 0.7382 1.6862 1.6871 4.4507 4.4543 10.6577 10.6590 10.8018 10.8061 12.4304 12.4352 k = 0.1333 0.3844 0.6180 ( 3474 PWs) bands (ev): -47.8811 -47.8811 -22.5383 -22.5383 -19.9399 -19.9344 -19.7769 -19.7691 -19.7393 -19.7375 -17.8082 -17.8076 -7.9327 -7.9325 -5.0447 -5.0419 -4.6955 -4.6909 -4.2014 -4.1983 -0.5781 -0.5766 0.7573 0.7586 1.6821 1.6831 4.4466 4.4500 10.6167 10.6180 10.7849 10.7891 12.4732 12.4782 k = 0.1250 0.3918 0.6105 ( 3472 PWs) bands (ev): -47.8811 -47.8811 -22.5390 -22.5390 -19.9389 -19.9337 -19.7756 -19.7682 -19.7391 -19.7373 -17.8092 -17.8086 -7.9409 -7.9407 -5.0354 -5.0325 -4.6985 -4.6939 -4.2044 -4.2013 -0.5735 -0.5721 0.7780 0.7794 1.6781 1.6790 4.4424 4.4457 10.5760 10.5772 10.7700 10.7739 12.5081 12.5133 k = 0.1167 0.3993 0.6030 ( 3470 PWs) bands (ev): -47.8811 -47.8811 -22.5398 -22.5398 -19.9379 -19.9330 -19.7743 -19.7673 -19.7388 -19.7371 -17.8101 -17.8095 -7.9490 -7.9488 -5.0265 -5.0238 -4.7007 -4.6960 -4.2080 -4.2048 -0.5689 -0.5676 0.7987 0.8001 1.6740 1.6750 4.4381 4.4413 10.5364 10.5375 10.7562 10.7599 12.5354 12.5406 k = 0.1083 0.4067 0.5954 ( 3466 PWs) bands (ev): -47.8811 -47.8811 -22.5405 -22.5405 -19.9369 -19.9323 -19.7730 -19.7664 -19.7385 -19.7369 -17.8109 -17.8104 -7.9570 -7.9568 -5.0184 -5.0157 -4.7018 -4.6972 -4.2119 -4.2088 -0.5642 -0.5630 0.8193 0.8206 1.6699 1.6709 4.4339 4.4369 10.4986 10.4996 10.7431 10.7466 12.5556 12.5607 k = 0.1000 0.4141 0.5879 ( 3470 PWs) bands (ev): -47.8811 -47.8811 -22.5411 -22.5411 -19.9360 -19.9317 -19.7717 -19.7656 -19.7383 -19.7367 -17.8118 -17.8113 -7.9648 -7.9646 -5.0110 -5.0083 -4.7019 -4.6974 -4.2162 -4.2131 -0.5595 -0.5584 0.8393 0.8407 1.6659 1.6669 4.4297 4.4325 10.4628 10.4638 10.7306 10.7338 12.5697 12.5744 k = 0.0917 0.4216 0.5804 ( 3464 PWs) bands (ev): -47.8811 -47.8811 -22.5418 -22.5418 -19.9350 -19.9311 -19.7705 -19.7647 -19.7380 -19.7365 -17.8127 -17.8122 -7.9723 -7.9721 -5.0044 -5.0019 -4.7009 -4.6965 -4.2207 -4.2177 -0.5549 -0.5539 0.8588 0.8602 1.6621 1.6631 4.4256 4.4282 10.4294 10.4304 10.7186 10.7216 12.5786 12.5830 k = 0.0833 0.4290 0.5729 ( 3464 PWs) bands (ev): -47.8811 -47.8811 -22.5424 -22.5424 -19.9341 -19.9305 -19.7693 -19.7640 -19.7377 -19.7363 -17.8135 -17.8131 -7.9794 -7.9792 -4.9988 -4.9964 -4.6989 -4.6947 -4.2255 -4.2226 -0.5504 -0.5495 0.8774 0.8787 1.6584 1.6593 4.4217 4.4241 10.3985 10.3994 10.7072 10.7100 12.5835 12.5875 k = 0.0750 0.4364 0.5654 ( 3464 PWs) bands (ev): -47.8811 -47.8811 -22.5430 -22.5430 -19.9333 -19.9300 -19.7681 -19.7633 -19.7374 -19.7361 -17.8142 -17.8139 -7.9860 -7.9859 -4.9940 -4.9919 -4.6961 -4.6921 -4.2304 -4.2276 -0.5461 -0.5453 0.8950 0.8963 1.6549 1.6558 4.4179 4.4201 10.3701 10.3709 10.6965 10.6990 12.5852 12.5888 k = 0.0667 0.4438 0.5579 ( 3472 PWs) bands (ev): -47.8811 -47.8811 -22.5436 -22.5436 -19.9326 -19.9297 -19.7671 -19.7628 -19.7371 -19.7360 -17.8149 -17.8146 -7.9921 -7.9920 -4.9901 -4.9882 -4.6926 -4.6889 -4.2353 -4.2327 -0.5421 -0.5413 0.9113 0.9125 1.6516 1.6525 4.4144 4.4164 10.3445 10.3453 10.6865 10.6888 12.5848 12.5879 k = 0.0583 0.4513 0.5504 ( 3468 PWs) bands (ev): -47.8811 -47.8811 -22.5441 -22.5441 -19.9318 -19.9293 -19.7661 -19.7623 -19.7368 -19.7358 -17.8156 -17.8153 -7.9977 -7.9976 -4.9870 -4.9853 -4.6885 -4.6852 -4.2400 -4.2376 -0.5383 -0.5377 0.9262 0.9273 1.6486 1.6494 4.4113 4.4130 10.3217 10.3224 10.6774 10.6794 12.5828 12.5855 k = 0.0500 0.4587 0.5429 ( 3470 PWs) bands (ev): -47.8811 -47.8811 -22.5446 -22.5446 -19.9312 -19.9290 -19.7652 -19.7619 -19.7365 -19.7356 -17.8161 -17.8159 -8.0026 -8.0025 -4.9846 -4.9831 -4.6843 -4.6813 -4.2445 -4.2424 -0.5350 -0.5345 0.9395 0.9405 1.6460 1.6467 4.4084 4.4099 10.3018 10.3023 10.6693 10.6710 12.5799 12.5823 k = 0.0417 0.4661 0.5353 ( 3468 PWs) bands (ev): -47.8811 -47.8811 -22.5449 -22.5449 -19.9306 -19.9287 -19.7643 -19.7616 -19.7363 -19.7355 -17.8166 -17.8164 -8.0069 -8.0068 -4.9828 -4.9815 -4.6800 -4.6774 -4.2486 -4.2468 -0.5320 -0.5316 0.9511 0.9519 1.6437 1.6443 4.4060 4.4072 10.2848 10.2853 10.6623 10.6637 12.5767 12.5787 k = 0.0333 0.4736 0.5278 ( 3466 PWs) bands (ev): -47.8811 -47.8811 -22.5453 -22.5453 -19.9301 -19.9286 -19.7636 -19.7614 -19.7360 -19.7354 -17.8170 -17.8169 -8.0104 -8.0103 -4.9814 -4.9804 -4.6760 -4.6739 -4.2522 -4.2507 -0.5296 -0.5292 0.9607 0.9614 1.6418 1.6423 4.4039 4.4050 10.2708 10.2712 10.6564 10.6576 12.5736 12.5751 k = 0.0250 0.4810 0.5203 ( 3458 PWs) bands (ev): -47.8811 -47.8811 -22.5455 -22.5455 -19.9296 -19.9285 -19.7629 -19.7613 -19.7358 -19.7353 -17.8174 -17.8172 -8.0131 -8.0131 -4.9805 -4.9797 -4.6726 -4.6710 -4.2551 -4.2539 -0.5276 -0.5273 0.9684 0.9689 1.6403 1.6407 4.4023 4.4031 10.2599 10.2602 10.6518 10.6526 12.5709 12.5720 k = 0.0167 0.4884 0.5128 ( 3456 PWs) bands (ev): -47.8811 -47.8811 -22.5457 -22.5457 -19.9292 -19.9284 -19.7624 -19.7613 -19.7356 -19.7353 -17.8176 -17.8175 -8.0151 -8.0151 -4.9798 -4.9793 -4.6699 -4.6688 -4.2572 -4.2564 -0.5261 -0.5260 0.9740 0.9743 1.6393 1.6395 4.4012 4.4017 10.2521 10.2523 10.6485 10.6491 12.5688 12.5695 k = 0.0083 0.4959 0.5053 ( 3456 PWs) bands (ev): -47.8811 -47.8811 -22.5458 -22.5458 -19.9289 -19.9285 -19.7619 -19.7614 -19.7354 -19.7353 -17.8177 -17.8177 -8.0163 -8.0163 -4.9794 -4.9791 -4.6680 -4.6675 -4.2584 -4.2580 -0.5252 -0.5252 0.9774 0.9775 1.6386 1.6388 4.4006 4.4008 10.2474 10.2475 10.6465 10.6468 12.5675 12.5679 k = 0.0000 0.5033 0.4978 ( 3460 PWs) bands (ev): -47.8811 -47.8811 -22.5458 -22.5458 -19.9287 -19.9287 -19.7616 -19.7616 -19.7354 -19.7354 -17.8177 -17.8177 -8.0167 -8.0167 -4.9791 -4.9791 -4.6673 -4.6673 -4.2586 -4.2586 -0.5249 -0.5249 0.9786 0.9786 1.6385 1.6385 4.4004 4.4004 10.2459 10.2459 10.6460 10.6460 12.5672 12.5672 k = 0.0000 0.5033 0.4978 ( 3460 PWs) bands (ev): -47.8811 -47.8811 -22.5458 -22.5458 -19.9287 -19.9287 -19.7616 -19.7616 -19.7354 -19.7354 -17.8177 -17.8177 -8.0167 -8.0167 -4.9791 -4.9791 -4.6673 -4.6673 -4.2586 -4.2586 -0.5249 -0.5249 0.9786 0.9786 1.6385 1.6385 4.4004 4.4004 10.2459 10.2459 10.6460 10.6460 12.5672 12.5672 k = 0.0105 0.5091 0.4919 ( 3458 PWs) bands (ev): -47.8811 -47.8811 -22.5458 -22.5458 -19.9288 -19.9285 -19.7616 -19.7616 -19.7355 -19.7352 -17.8177 -17.8177 -8.0169 -8.0169 -4.9791 -4.9789 -4.6671 -4.6671 -4.2587 -4.2585 -0.5247 -0.5246 0.9786 0.9787 1.6384 1.6384 4.4006 4.4007 10.2466 10.2466 10.6464 10.6465 12.5655 12.5656 k = 0.0211 0.5150 0.4860 ( 3464 PWs) bands (ev): -47.8811 -47.8811 -22.5458 -22.5457 -19.9291 -19.9284 -19.7617 -19.7617 -19.7358 -19.7351 -17.8178 -17.8178 -8.0174 -8.0173 -4.9789 -4.9785 -4.6668 -4.6668 -4.2588 -4.2583 -0.5240 -0.5238 0.9788 0.9790 1.6381 1.6381 4.4011 4.4013 10.2487 10.2488 10.6477 10.6481 12.5607 12.5609 k = 0.0316 0.5208 0.4800 ( 3466 PWs) bands (ev): -47.8811 -47.8811 -22.5456 -22.5456 -19.9293 -19.9283 -19.7618 -19.7617 -19.7360 -19.7351 -17.8179 -17.8179 -8.0181 -8.0180 -4.9784 -4.9779 -4.6663 -4.6662 -4.2588 -4.2581 -0.5227 -0.5224 0.9792 0.9795 1.6377 1.6377 4.4021 4.4023 10.2522 10.2523 10.6501 10.6505 12.5527 12.5530 k = 0.0422 0.5267 0.4741 ( 3466 PWs) bands (ev): -47.8811 -47.8811 -22.5454 -22.5454 -19.9295 -19.9283 -19.7619 -19.7618 -19.7363 -19.7351 -17.8181 -17.8181 -8.0191 -8.0190 -4.9777 -4.9770 -4.6655 -4.6654 -4.2588 -4.2579 -0.5209 -0.5205 0.9798 0.9802 1.6371 1.6372 4.4034 4.4036 10.2572 10.2573 10.6533 10.6539 12.5415 12.5419 k = 0.0527 0.5325 0.4682 ( 3466 PWs) bands (ev): -47.8811 -47.8811 -22.5452 -22.5451 -19.9298 -19.9283 -19.7620 -19.7619 -19.7366 -19.7351 -17.8183 -17.8183 -8.0204 -8.0203 -4.9768 -4.9759 -4.6645 -4.6644 -4.2588 -4.2576 -0.5186 -0.5181 0.9806 0.9811 1.6363 1.6365 4.4051 4.4054 10.2635 10.2637 10.6574 10.6582 12.5273 12.5278 k = 0.0633 0.5384 0.4623 ( 3470 PWs) bands (ev): -47.8811 -47.8811 -22.5449 -22.5448 -19.9301 -19.9283 -19.7621 -19.7620 -19.7370 -19.7352 -17.8185 -17.8185 -8.0220 -8.0218 -4.9756 -4.9746 -4.6632 -4.6631 -4.2588 -4.2574 -0.5158 -0.5152 0.9815 0.9821 1.6354 1.6356 4.4072 4.4076 10.2712 10.2714 10.6623 10.6633 12.5100 12.5106 k = 0.0738 0.5442 0.4564 ( 3470 PWs) bands (ev): -47.8811 -47.8811 -22.5446 -22.5445 -19.9304 -19.9283 -19.7623 -19.7621 -19.7374 -19.7353 -17.8188 -17.8188 -8.0239 -8.0237 -4.9742 -4.9730 -4.6618 -4.6617 -4.2587 -4.2571 -0.5124 -0.5118 0.9827 0.9833 1.6344 1.6346 4.4097 4.4102 10.2803 10.2805 10.6681 10.6691 12.4898 12.4905 k = 0.0844 0.5501 0.4505 ( 3474 PWs) bands (ev): -47.8811 -47.8811 -22.5442 -22.5441 -19.9308 -19.9283 -19.7625 -19.7623 -19.7379 -19.7354 -17.8191 -17.8191 -8.0260 -8.0258 -4.9726 -4.9712 -4.6602 -4.6601 -4.2587 -4.2569 -0.5086 -0.5079 0.9840 0.9847 1.6333 1.6335 4.4126 4.4132 10.2907 10.2909 10.6745 10.6757 12.4667 12.4676 k = 0.0949 0.5559 0.4446 ( 3466 PWs) bands (ev): -47.8811 -47.8811 -22.5438 -22.5437 -19.9311 -19.9284 -19.7626 -19.7624 -19.7383 -19.7355 -17.8195 -17.8195 -8.0283 -8.0281 -4.9706 -4.9691 -4.6584 -4.6582 -4.2586 -4.2566 -0.5043 -0.5035 0.9855 0.9863 1.6321 1.6324 4.4160 4.4166 10.3024 10.3027 10.6816 10.6829 12.4409 12.4419 k = 0.1055 0.5618 0.4387 ( 3466 PWs) bands (ev): -47.8811 -47.8811 -22.5434 -22.5432 -19.9314 -19.9285 -19.7629 -19.7625 -19.7388 -19.7357 -17.8199 -17.8199 -8.0310 -8.0307 -4.9684 -4.9667 -4.6564 -4.6562 -4.2587 -4.2565 -0.4996 -0.4986 0.9872 0.9881 1.6308 1.6311 4.4199 4.4205 10.3154 10.3157 10.6892 10.6907 12.4124 12.4135 k = 0.1160 0.5676 0.4327 ( 3463 PWs) bands (ev): -47.8811 -47.8811 -22.5429 -22.5427 -19.9318 -19.9286 -19.7631 -19.7627 -19.7393 -19.7359 -17.8203 -17.8203 -8.0338 -8.0335 -4.9659 -4.9641 -4.6543 -4.6541 -4.2587 -4.2563 -0.4943 -0.4933 0.9890 0.9900 1.6295 1.6298 4.4242 4.4249 10.3297 10.3300 10.6972 10.6989 12.3812 12.3824 k = 0.1265 0.5735 0.4268 ( 3469 PWs) bands (ev): -47.8812 -47.8812 -22.5424 -22.5422 -19.9322 -19.9288 -19.7634 -19.7629 -19.7399 -19.7361 -17.8208 -17.8208 -8.0369 -8.0366 -4.9632 -4.9612 -4.6520 -4.6518 -4.2589 -4.2563 -0.4887 -0.4877 0.9910 0.9921 1.6280 1.6284 4.4289 4.4297 10.3452 10.3455 10.7056 10.7075 12.3475 12.3488 k = 0.1371 0.5793 0.4209 ( 3469 PWs) bands (ev): -47.8812 -47.8812 -22.5418 -22.5416 -19.9326 -19.9289 -19.7637 -19.7631 -19.7404 -19.7364 -17.8212 -17.8212 -8.0403 -8.0399 -4.9601 -4.9580 -4.6496 -4.6493 -4.2591 -4.2564 -0.4827 -0.4815 0.9932 0.9944 1.6266 1.6270 4.4342 4.4350 10.3618 10.3622 10.7143 10.7162 12.3113 12.3128 k = 0.1476 0.5852 0.4150 ( 3473 PWs) bands (ev): -47.8812 -47.8812 -22.5412 -22.5410 -19.9331 -19.9291 -19.7640 -19.7633 -19.7410 -19.7366 -17.8217 -17.8217 -8.0438 -8.0434 -4.9567 -4.9546 -4.6470 -4.6468 -4.2594 -4.2565 -0.4763 -0.4751 0.9956 0.9969 1.6252 1.6256 4.4399 4.4407 10.3796 10.3800 10.7230 10.7251 12.2727 12.2743 k = 0.1582 0.5910 0.4091 ( 3471 PWs) bands (ev): -47.8812 -47.8812 -22.5407 -22.5404 -19.9335 -19.9293 -19.7644 -19.7635 -19.7416 -19.7369 -17.8223 -17.8223 -8.0475 -8.0471 -4.9531 -4.9508 -4.6444 -4.6441 -4.2599 -4.2568 -0.4695 -0.4682 0.9981 0.9995 1.6238 1.6242 4.4461 4.4470 10.3985 10.3989 10.7318 10.7340 12.2317 12.2335 k = 0.1687 0.5969 0.4032 ( 3471 PWs) bands (ev): -47.8812 -47.8812 -22.5401 -22.5398 -19.9339 -19.9296 -19.7647 -19.7638 -19.7422 -19.7372 -17.8228 -17.8228 -8.0514 -8.0510 -4.9491 -4.9467 -4.6416 -4.6414 -4.2604 -4.2572 -0.4624 -0.4610 1.0008 1.0023 1.6224 1.6228 4.4529 4.4538 10.4184 10.4189 10.7404 10.7428 12.1884 12.1903 k = 0.1793 0.6027 0.3973 ( 3469 PWs) bands (ev): -47.8812 -47.8812 -22.5394 -22.5392 -19.9343 -19.9298 -19.7651 -19.7640 -19.7427 -19.7374 -17.8234 -17.8234 -8.0555 -8.0550 -4.9448 -4.9423 -4.6388 -4.6385 -4.2611 -4.2578 -0.4549 -0.4534 1.0037 1.0052 1.6210 1.6215 4.4601 4.4611 10.4394 10.4398 10.7489 10.7513 12.1429 12.1449 k = 0.1898 0.6086 0.3913 ( 3469 PWs) bands (ev): -47.8812 -47.8812 -22.5388 -22.5386 -19.9347 -19.9301 -19.7655 -19.7642 -19.7433 -19.7377 -17.8240 -17.8239 -8.0597 -8.0592 -4.9402 -4.9376 -4.6360 -4.6357 -4.2619 -4.2585 -0.4471 -0.4456 1.0067 1.0083 1.6197 1.6202 4.4679 4.4690 10.4612 10.4616 10.7569 10.7595 12.0951 12.0972 k = 0.2004 0.6144 0.3854 ( 3471 PWs) bands (ev): -47.8812 -47.8812 -22.5382 -22.5379 -19.9352 -19.9304 -19.7659 -19.7645 -19.7439 -19.7380 -17.8245 -17.8245 -8.0641 -8.0636 -4.9352 -4.9325 -4.6331 -4.6328 -4.2629 -4.2593 -0.4391 -0.4375 1.0098 1.0114 1.6185 1.6190 4.4762 4.4773 10.4839 10.4843 10.7645 10.7672 12.0452 12.0474 k = 0.2109 0.6203 0.3795 ( 3469 PWs) bands (ev): -47.8812 -47.8812 -22.5376 -22.5373 -19.9356 -19.9307 -19.7663 -19.7647 -19.7444 -19.7382 -17.8251 -17.8251 -8.0685 -8.0681 -4.9300 -4.9272 -4.6302 -4.6299 -4.2641 -4.2604 -0.4308 -0.4292 1.0131 1.0148 1.6173 1.6179 4.4851 4.4862 10.5073 10.5077 10.7716 10.7743 11.9931 11.9954 k = 0.2215 0.6261 0.3736 ( 3467 PWs) bands (ev): -47.8812 -47.8812 -22.5370 -22.5367 -19.9360 -19.9310 -19.7668 -19.7650 -19.7449 -19.7385 -17.8257 -17.8257 -8.0731 -8.0726 -4.9244 -4.9215 -4.6273 -4.6270 -4.2653 -4.2615 -0.4223 -0.4206 1.0164 1.0182 1.6163 1.6168 4.4944 4.4955 10.5313 10.5316 10.7781 10.7808 11.9390 11.9414 k = 0.2320 0.6319 0.3677 ( 3465 PWs) bands (ev): -47.8812 -47.8812 -22.5365 -22.5362 -19.9364 -19.9313 -19.7672 -19.7653 -19.7454 -19.7387 -17.8263 -17.8263 -8.0778 -8.0773 -4.9184 -4.9155 -4.6245 -4.6241 -4.2667 -4.2629 -0.4136 -0.4119 1.0199 1.0217 1.6153 1.6159 4.5043 4.5054 10.5557 10.5560 10.7840 10.7866 11.8830 11.8854 k = 0.2425 0.6378 0.3618 ( 3465 PWs) bands (ev): -47.8813 -47.8813 -22.5359 -22.5356 -19.9368 -19.9316 -19.7677 -19.7656 -19.7459 -19.7389 -17.8268 -17.8268 -8.0825 -8.0820 -4.9122 -4.9093 -4.6216 -4.6213 -4.2683 -4.2644 -0.4048 -0.4030 1.0235 1.0253 1.6144 1.6150 4.5146 4.5157 10.5802 10.5804 10.7892 10.7918 11.8252 11.8276 k = 0.2531 0.6436 0.3559 ( 3463 PWs) bands (ev): -47.8813 -47.8813 -22.5354 -22.5351 -19.9372 -19.9320 -19.7681 -19.7658 -19.7463 -19.7391 -17.8274 -17.8274 -8.0873 -8.0868 -4.9057 -4.9027 -4.6189 -4.6185 -4.2700 -4.2660 -0.3958 -0.3939 1.0271 1.0290 1.6137 1.6143 4.5254 4.5266 10.6045 10.6046 10.7939 10.7963 11.7658 11.7682 k = 0.2636 0.6495 0.3500 ( 3457 PWs) bands (ev): -47.8813 -47.8813 -22.5349 -22.5346 -19.9376 -19.9323 -19.7685 -19.7661 -19.7466 -19.7392 -17.8279 -17.8279 -8.0922 -8.0916 -4.8988 -4.8958 -4.6162 -4.6158 -4.2718 -4.2678 -0.3867 -0.3848 1.0308 1.0327 1.6130 1.6136 4.5366 4.5378 10.6279 10.6282 10.7983 10.8004 11.7053 11.7076 k = 0.2742 0.6553 0.3440 ( 3456 PWs) bands (ev): -47.8813 -47.8813 -22.5345 -22.5341 -19.9379 -19.9326 -19.7690 -19.7664 -19.7469 -19.7394 -17.8285 -17.8285 -8.0970 -8.0965 -4.8917 -4.8886 -4.6136 -4.6132 -4.2738 -4.2698 -0.3775 -0.3755 1.0344 1.0364 1.6124 1.6130 4.5483 4.5496 10.6498 10.6505 10.8025 10.8043 11.6440 11.6463 k = 0.2847 0.6612 0.3381 ( 3452 PWs) bands (ev): -47.8813 -47.8813 -22.5341 -22.5337 -19.9383 -19.9330 -19.7694 -19.7667 -19.7472 -19.7395 -17.8290 -17.8290 -8.1019 -8.1013 -4.8842 -4.8811 -4.6111 -4.6107 -4.2759 -4.2718 -0.3682 -0.3663 1.0381 1.0402 1.6119 1.6126 4.5604 4.5617 10.6693 10.6705 10.8069 10.8082 11.5826 11.5849 k = 0.2953 0.6670 0.3322 ( 3448 PWs) bands (ev): -47.8813 -47.8813 -22.5337 -22.5334 -19.9386 -19.9333 -19.7699 -19.7670 -19.7474 -19.7396 -17.8294 -17.8294 -8.1067 -8.1061 -4.8765 -4.8734 -4.6088 -4.6084 -4.2781 -4.2740 -0.3590 -0.3570 1.0418 1.0439 1.6115 1.6122 4.5729 4.5741 10.6853 10.6871 10.8117 10.8123 11.5223 11.5244 k = 0.3058 0.6729 0.3263 ( 3446 PWs) bands (ev): -47.8813 -47.8813 -22.5334 -22.5331 -19.9389 -19.9336 -19.7703 -19.7674 -19.7476 -19.7397 -17.8299 -17.8299 -8.1115 -8.1109 -4.8684 -4.8654 -4.6066 -4.6062 -4.2804 -4.2763 -0.3497 -0.3477 1.0454 1.0475 1.6111 1.6118 4.5857 4.5869 10.6967 10.6991 10.8164 10.8166 11.4644 11.4663 k = 0.3164 0.6787 0.3204 ( 3444 PWs) bands (ev): -47.8813 -47.8813 -22.5332 -22.5329 -19.9392 -19.9339 -19.7707 -19.7677 -19.7477 -19.7398 -17.8303 -17.8303 -8.1162 -8.1156 -4.8602 -4.8571 -4.6046 -4.6042 -4.2827 -4.2787 -0.3404 -0.3384 1.0489 1.0510 1.6108 1.6115 4.5987 4.6000 10.7029 10.7059 10.8194 10.8202 11.4110 11.4128 k = 0.3269 0.6846 0.3145 ( 3440 PWs) bands (ev): -47.8813 -47.8813 -22.5330 -22.5327 -19.9395 -19.9342 -19.7711 -19.7680 -19.7477 -19.7398 -17.8307 -17.8307 -8.1209 -8.1203 -4.8516 -4.8485 -4.6027 -4.6023 -4.2852 -4.2811 -0.3312 -0.3292 1.0524 1.0545 1.6106 1.6113 4.6120 4.6132 10.7038 10.7071 10.8191 10.8203 11.3651 11.3668 k = 0.3375 0.6904 0.3086 ( 3438 PWs) bands (ev): -47.8813 -47.8813 -22.5329 -22.5326 -19.9397 -19.9346 -19.7715 -19.7683 -19.7477 -19.7398 -17.8310 -17.8310 -8.1254 -8.1248 -4.8429 -4.8398 -4.6011 -4.6007 -4.2876 -4.2836 -0.3221 -0.3200 1.0557 1.0578 1.6104 1.6111 4.6255 4.6267 10.6990 10.7023 10.8125 10.8139 11.3300 11.3315 k = 0.3480 0.6963 0.3027 ( 3443 PWs) bands (ev): -47.8814 -47.8814 -22.5328 -22.5325 -19.9399 -19.9349 -19.7719 -19.7687 -19.7477 -19.7398 -17.8313 -17.8313 -8.1299 -8.1293 -4.8339 -4.8309 -4.5997 -4.5993 -4.2901 -4.2862 -0.3130 -0.3110 1.0588 1.0609 1.6102 1.6109 4.6392 4.6403 10.6874 10.6904 10.7984 10.7996 11.3086 11.3099 k = 0.3480 0.6963 0.3027 ( 3443 PWs) bands (ev): -47.8814 -47.8814 -22.5328 -22.5325 -19.9399 -19.9349 -19.7719 -19.7687 -19.7477 -19.7398 -17.8313 -17.8313 -8.1299 -8.1293 -4.8339 -4.8309 -4.5997 -4.5993 -4.2901 -4.2862 -0.3130 -0.3110 1.0588 1.0609 1.6102 1.6109 4.6392 4.6403 10.6874 10.6904 10.7984 10.7996 11.3086 11.3099 k = 0.3536 0.6913 0.2914 ( 3439 PWs) bands (ev): -47.8814 -47.8814 -22.5328 -22.5325 -19.9403 -19.9355 -19.7726 -19.7693 -19.7475 -19.7398 -17.8318 -17.8318 -8.1381 -8.1375 -4.8163 -4.8134 -4.5972 -4.5968 -4.2949 -4.2911 -0.2958 -0.2937 1.0644 1.0665 1.6098 1.6105 4.6654 4.6665 10.6509 10.6527 10.7697 10.7697 11.2823 11.2835 k = 0.3593 0.6862 0.2802 ( 3445 PWs) bands (ev): -47.8814 -47.8814 -22.5329 -22.5326 -19.9408 -19.9361 -19.7733 -19.7700 -19.7474 -19.7397 -17.8323 -17.8323 -8.1463 -8.1457 -4.7983 -4.7954 -4.5949 -4.5945 -4.2998 -4.2960 -0.2783 -0.2763 1.0698 1.0719 1.6091 1.6099 4.6918 4.6929 10.6045 10.6054 10.7451 10.7461 11.2566 11.2576 k = 0.3649 0.6812 0.2690 ( 3449 PWs) bands (ev): -47.8815 -47.8815 -22.5330 -22.5327 -19.9412 -19.9367 -19.7740 -19.7707 -19.7472 -19.7397 -17.8327 -17.8327 -8.1544 -8.1538 -4.7800 -4.7772 -4.5928 -4.5924 -4.3046 -4.3010 -0.2606 -0.2586 1.0750 1.0770 1.6084 1.6092 4.7186 4.7197 10.5531 10.5533 10.7216 10.7232 11.2316 11.2325 k = 0.3705 0.6762 0.2578 ( 3449 PWs) bands (ev): -47.8815 -47.8815 -22.5331 -22.5328 -19.9417 -19.9373 -19.7746 -19.7714 -19.7469 -19.7396 -17.8331 -17.8331 -8.1623 -8.1618 -4.7613 -4.7586 -4.5907 -4.5903 -4.3095 -4.3059 -0.2428 -0.2408 1.0800 1.0820 1.6075 1.6083 4.7455 4.7465 10.4989 10.4992 10.6969 10.6989 11.2075 11.2083 k = 0.3761 0.6712 0.2466 ( 3453 PWs) bands (ev): -47.8816 -47.8816 -22.5332 -22.5329 -19.9421 -19.9379 -19.7753 -19.7720 -19.7467 -19.7396 -17.8335 -17.8335 -8.1701 -8.1696 -4.7426 -4.7399 -4.5888 -4.5884 -4.3143 -4.3108 -0.2250 -0.2230 1.0848 1.0868 1.6064 1.6072 4.7725 4.7734 10.4436 10.4442 10.6704 10.6725 11.1846 11.1852 k = 0.3818 0.6662 0.2354 ( 3455 PWs) bands (ev): -47.8816 -47.8816 -22.5334 -22.5331 -19.9426 -19.9386 -19.7759 -19.7727 -19.7464 -19.7395 -17.8338 -17.8338 -8.1778 -8.1772 -4.7237 -4.7211 -4.5870 -4.5866 -4.3190 -4.3157 -0.2071 -0.2052 1.0894 1.0913 1.6053 1.6061 4.7994 4.8003 10.3879 10.3886 10.6418 10.6441 11.1629 11.1634 k = 0.3874 0.6611 0.2242 ( 3453 PWs) bands (ev): -47.8816 -47.8816 -22.5336 -22.5333 -19.9430 -19.9392 -19.7765 -19.7734 -19.7461 -19.7394 -17.8341 -17.8341 -8.1852 -8.1847 -4.7048 -4.7022 -4.5853 -4.5849 -4.3237 -4.3205 -0.1895 -0.1875 1.0937 1.0957 1.6041 1.6049 4.8261 4.8270 10.3321 10.3329 10.6116 10.6139 11.1425 11.1428 k = 0.3930 0.6561 0.2130 ( 3461 PWs) bands (ev): -47.8817 -47.8817 -22.5338 -22.5335 -19.9435 -19.9399 -19.7772 -19.7741 -19.7457 -19.7393 -17.8344 -17.8344 -8.1925 -8.1919 -4.6861 -4.6835 -4.5837 -4.5833 -4.3283 -4.3252 -0.1719 -0.1700 1.0979 1.0998 1.6028 1.6035 4.8525 4.8533 10.2766 10.2775 10.5801 10.5824 11.1233 11.1236 k = 0.3987 0.6511 0.2018 ( 3461 PWs) bands (ev): -47.8817 -47.8817 -22.5340 -22.5337 -19.9439 -19.9405 -19.7777 -19.7747 -19.7454 -19.7392 -17.8346 -17.8346 -8.1995 -8.1990 -4.6675 -4.6650 -4.5822 -4.5818 -4.3328 -4.3298 -0.1547 -0.1528 1.1018 1.1037 1.6014 1.6022 4.8785 4.8793 10.2215 10.2225 10.5478 10.5500 11.0910 11.0934 k = 0.4043 0.6461 0.1906 ( 3455 PWs) bands (ev): -47.8817 -47.8817 -22.5342 -22.5340 -19.9443 -19.9411 -19.7782 -19.7754 -19.7450 -19.7391 -17.8349 -17.8349 -8.2062 -8.2057 -4.6493 -4.6468 -4.5808 -4.5804 -4.3372 -4.3342 -0.1377 -0.1359 1.1056 1.1074 1.6001 1.6008 4.9040 4.9048 10.1673 10.1682 10.5151 10.5172 11.0389 11.0413 k = 0.4099 0.6411 0.1794 ( 3467 PWs) bands (ev): -47.8818 -47.8818 -22.5345 -22.5342 -19.9448 -19.9418 -19.7788 -19.7760 -19.7446 -19.7391 -17.8351 -17.8351 -8.2127 -8.2122 -4.6315 -4.6291 -4.5795 -4.5791 -4.3415 -4.3386 -0.1212 -0.1195 1.1091 1.1108 1.5986 1.5993 4.9289 4.9296 10.1140 10.1150 10.4825 10.4845 10.9889 10.9912 k = 0.4156 0.6360 0.1681 ( 3463 PWs) bands (ev): -47.8818 -47.8818 -22.5347 -22.5345 -19.9452 -19.9423 -19.7793 -19.7766 -19.7442 -19.7390 -17.8353 -17.8353 -8.2189 -8.2184 -4.6141 -4.6118 -4.5783 -4.5779 -4.3456 -4.3427 -0.1052 -0.1035 1.1124 1.1140 1.5972 1.5979 4.9530 4.9536 10.0621 10.0630 10.4504 10.4523 10.9413 10.9435 k = 0.4212 0.6310 0.1569 ( 3455 PWs) bands (ev): -47.8818 -47.8818 -22.5349 -22.5347 -19.9455 -19.9429 -19.7797 -19.7772 -19.7438 -19.7388 -17.8354 -17.8354 -8.2247 -8.2243 -4.5975 -4.5951 -4.5771 -4.5767 -4.3495 -4.3467 -0.0898 -0.0882 1.1155 1.1171 1.5958 1.5965 4.9762 4.9768 10.0118 10.0127 10.4192 10.4210 10.8963 10.8984 k = 0.4268 0.6260 0.1457 ( 3451 PWs) bands (ev): -47.8819 -47.8819 -22.5352 -22.5350 -19.9459 -19.9434 -19.7801 -19.7777 -19.7434 -19.7387 -17.8356 -17.8356 -8.2303 -8.2299 -4.5820 -4.5798 -4.5753 -4.5750 -4.3532 -4.3505 -0.0751 -0.0736 1.1183 1.1198 1.5945 1.5951 4.9985 4.9990 9.9634 9.9642 10.3891 10.3908 10.8540 10.8559 k = 0.4324 0.6210 0.1345 ( 3446 PWs) bands (ev): -47.8819 -47.8819 -22.5354 -22.5352 -19.9462 -19.9439 -19.7804 -19.7782 -19.7430 -19.7387 -17.8357 -17.8357 -8.2355 -8.2351 -4.5756 -4.5755 -4.5651 -4.5633 -4.3567 -4.3541 -0.0611 -0.0596 1.1210 1.1224 1.5931 1.5937 5.0196 5.0201 9.9171 9.9179 10.3605 10.3621 10.8144 10.8162 k = 0.4381 0.6160 0.1233 ( 3442 PWs) bands (ev): -47.8819 -47.8819 -22.5356 -22.5355 -19.9465 -19.9445 -19.7808 -19.7787 -19.7425 -19.7386 -17.8359 -17.8359 -8.2403 -8.2399 -4.5746 -4.5745 -4.5510 -4.5490 -4.3599 -4.3575 -0.0479 -0.0466 1.1234 1.1247 1.5919 1.5924 5.0395 5.0400 9.8734 9.8741 10.3336 10.3350 10.7777 10.7793 k = 0.4437 0.6109 0.1121 ( 3438 PWs) bands (ev): -47.8819 -47.8819 -22.5359 -22.5357 -19.9468 -19.9449 -19.7811 -19.7791 -19.7422 -19.7385 -17.8360 -17.8360 -8.2447 -8.2444 -4.5737 -4.5736 -4.5375 -4.5356 -4.3630 -4.3607 -0.0356 -0.0344 1.1256 1.1269 1.5906 1.5911 5.0581 5.0586 9.8324 9.8330 10.3086 10.3098 10.7438 10.7453 k = 0.4493 0.6059 0.1009 ( 3442 PWs) bands (ev): -47.8820 -47.8820 -22.5361 -22.5359 -19.9471 -19.9454 -19.7813 -19.7796 -19.7418 -19.7385 -17.8361 -17.8361 -8.2488 -8.2485 -4.5730 -4.5729 -4.5250 -4.5232 -4.3658 -4.3636 -0.0243 -0.0232 1.1276 1.1288 1.5895 1.5899 5.0753 5.0757 9.7945 9.7950 10.2855 10.2867 10.7130 10.7143 k = 0.4550 0.6009 0.0897 ( 3446 PWs) bands (ev): -47.8820 -47.8820 -22.5363 -22.5361 -19.9473 -19.9459 -19.7816 -19.7800 -19.7415 -19.7386 -17.8361 -17.8361 -8.2525 -8.2522 -4.5724 -4.5723 -4.5136 -4.5119 -4.3683 -4.3663 -0.0140 -0.0130 1.1294 1.1304 1.5884 1.5888 5.0910 5.0913 9.7598 9.7603 10.2646 10.2656 10.6851 10.6863 k = 0.4606 0.5959 0.0785 ( 3446 PWs) bands (ev): -47.8820 -47.8820 -22.5364 -22.5363 -19.9476 -19.9462 -19.7818 -19.7804 -19.7411 -19.7386 -17.8362 -17.8362 -8.2557 -8.2555 -4.5719 -4.5718 -4.5033 -4.5017 -4.3706 -4.3687 -0.0048 -0.0038 1.1310 1.1319 1.5875 1.5878 5.1050 5.1053 9.7287 9.7291 10.2460 10.2468 10.6605 10.6615 k = 0.4662 0.5909 0.0673 ( 3438 PWs) bands (ev): -47.8820 -47.8820 -22.5366 -22.5365 -19.9477 -19.9466 -19.7819 -19.7807 -19.7408 -19.7386 -17.8363 -17.8363 -8.2586 -8.2584 -4.5714 -4.5713 -4.4942 -4.4927 -4.3726 -4.3708 0.0034 0.0042 1.1324 1.1332 1.5866 1.5870 5.1174 5.1177 9.7013 9.7016 10.2297 10.2304 10.6390 10.6398 k = 0.4719 0.5858 0.0560 ( 3430 PWs) bands (ev): -47.8820 -47.8820 -22.5367 -22.5366 -19.9478 -19.9469 -19.7820 -19.7810 -19.7404 -19.7386 -17.8363 -17.8363 -8.2610 -8.2608 -4.5710 -4.5709 -4.4864 -4.4851 -4.3742 -4.3727 0.0104 0.0111 1.1335 1.1342 1.5859 1.5862 5.1281 5.1283 9.6778 9.6781 10.2157 10.2163 10.6207 10.6214 k = 0.4775 0.5808 0.0448 ( 3426 PWs) bands (ev): -47.8820 -47.8820 -22.5368 -22.5367 -19.9479 -19.9471 -19.7820 -19.7812 -19.7401 -19.7386 -17.8364 -17.8364 -8.2630 -8.2629 -4.5707 -4.5706 -4.4799 -4.4788 -4.3756 -4.3743 0.0162 0.0167 1.1345 1.1351 1.5854 1.5856 5.1368 5.1370 9.6584 9.6586 10.2043 10.2048 10.6057 10.6063 k = 0.4831 0.5758 0.0336 ( 3424 PWs) bands (ev): -47.8820 -47.8820 -22.5369 -22.5368 -19.9479 -19.9474 -19.7821 -19.7815 -19.7398 -19.7387 -17.8364 -17.8364 -8.2645 -8.2644 -4.5704 -4.5704 -4.4748 -4.4739 -4.3766 -4.3756 0.0207 0.0211 1.1353 1.1357 1.5849 1.5851 5.1437 5.1438 9.6431 9.6433 10.1954 10.1957 10.5940 10.5944 k = 0.4887 0.5708 0.0224 ( 3420 PWs) bands (ev): -47.8820 -47.8820 -22.5369 -22.5369 -19.9479 -19.9475 -19.7821 -19.7816 -19.7396 -19.7388 -17.8364 -17.8364 -8.2656 -8.2656 -4.5702 -4.5702 -4.4710 -4.4704 -4.3772 -4.3765 0.0240 0.0243 1.1359 1.1361 1.5846 1.5847 5.1487 5.1488 9.6322 9.6323 10.1890 10.1892 10.5856 10.5859 k = 0.4944 0.5658 0.0112 ( 3416 PWs) bands (ev): -47.8820 -47.8820 -22.5370 -22.5370 -19.9479 -19.9477 -19.7820 -19.7818 -19.7393 -19.7390 -17.8364 -17.8364 -8.2663 -8.2663 -4.5701 -4.5701 -4.4687 -4.4684 -4.3775 -4.3772 0.0260 0.0262 1.1362 1.1364 1.5844 1.5845 5.1517 5.1517 9.6256 9.6257 10.1851 10.1853 10.5807 10.5808 k = 0.5000 0.5607 0.0000 ( 3408 PWs) bands (ev): -47.8820 -47.8820 -22.5370 -22.5370 -19.9478 -19.9478 -19.7819 -19.7819 -19.7391 -19.7391 -17.8364 -17.8364 -8.2665 -8.2665 -4.5701 -4.5701 -4.4678 -4.4678 -4.3775 -4.3775 0.0268 0.0268 1.1364 1.1364 1.5844 1.5844 5.1527 5.1527 9.6234 9.6234 10.1839 10.1839 10.5790 10.5790 k = 0.5000 0.5607 0.0000 ( 3408 PWs) bands (ev): -47.8820 -47.8820 -22.5370 -22.5370 -19.9478 -19.9478 -19.7819 -19.7819 -19.7391 -19.7391 -17.8364 -17.8364 -8.2665 -8.2665 -4.5701 -4.5701 -4.4678 -4.4678 -4.3775 -4.3775 0.0268 0.0268 1.1364 1.1364 1.5844 1.5844 5.1527 5.1527 9.6234 9.6234 10.1839 10.1839 10.5790 10.5790 k = 0.4909 0.5505 0.0000 ( 3422 PWs) bands (ev): -47.8820 -47.8820 -22.5370 -22.5370 -19.9478 -19.9478 -19.7819 -19.7819 -19.7391 -19.7391 -17.8364 -17.8364 -8.2663 -8.2663 -4.5703 -4.5703 -4.4676 -4.4676 -4.3776 -4.3776 0.0266 0.0266 1.1360 1.1360 1.5842 1.5842 5.1523 5.1523 9.6163 9.6163 10.1868 10.1868 10.5810 10.5810 k = 0.4818 0.5403 0.0000 ( 3422 PWs) bands (ev): -47.8820 -47.8820 -22.5372 -22.5372 -19.9477 -19.9477 -19.7818 -19.7818 -19.7391 -19.7391 -17.8362 -17.8362 -8.2658 -8.2658 -4.5710 -4.5710 -4.4671 -4.4671 -4.3776 -4.3776 0.0260 0.0260 1.1349 1.1349 1.5838 1.5838 5.1512 5.1512 9.5955 9.5955 10.1948 10.1948 10.5867 10.5867 k = 0.4727 0.5301 0.0000 ( 3422 PWs) bands (ev): -47.8820 -47.8820 -22.5375 -22.5375 -19.9476 -19.9476 -19.7817 -19.7817 -19.7390 -19.7390 -17.8360 -17.8360 -8.2649 -8.2649 -4.5721 -4.5721 -4.4663 -4.4663 -4.3777 -4.3777 0.0250 0.0250 1.1330 1.1330 1.5831 1.5831 5.1495 5.1495 9.5630 9.5630 10.2069 10.2069 10.5963 10.5963 k = 0.4636 0.5200 0.0000 ( 3424 PWs) bands (ev): -47.8820 -47.8820 -22.5380 -22.5380 -19.9475 -19.9475 -19.7816 -19.7816 -19.7389 -19.7389 -17.8357 -17.8357 -8.2636 -8.2636 -4.5737 -4.5737 -4.4651 -4.4651 -4.3779 -4.3779 0.0236 0.0236 1.1304 1.1304 1.5821 1.5821 5.1470 5.1470 9.5211 9.5211 10.2217 10.2217 10.6096 10.6096 k = 0.4545 0.5098 0.0000 ( 3432 PWs) bands (ev): -47.8821 -47.8821 -22.5385 -22.5385 -19.9473 -19.9473 -19.7814 -19.7814 -19.7388 -19.7388 -17.8352 -17.8352 -8.2620 -8.2620 -4.5757 -4.5757 -4.4636 -4.4636 -4.3781 -4.3781 0.0218 0.0218 1.1270 1.1270 1.5808 1.5808 5.1437 5.1437 9.4720 9.4720 10.2382 10.2382 10.6268 10.6268 k = 0.4455 0.4996 0.0000 ( 3436 PWs) bands (ev): -47.8821 -47.8821 -22.5392 -22.5392 -19.9470 -19.9470 -19.7811 -19.7811 -19.7386 -19.7386 -17.8347 -17.8347 -8.2600 -8.2600 -4.5781 -4.5781 -4.4618 -4.4618 -4.3783 -4.3783 0.0197 0.0197 1.1230 1.1230 1.5793 1.5793 5.1398 5.1398 9.4177 9.4177 10.2558 10.2558 10.6477 10.6477 k = 0.4364 0.4894 0.0000 ( 3434 PWs) bands (ev): -47.8821 -47.8821 -22.5400 -22.5400 -19.9468 -19.9467 -19.7808 -19.7808 -19.7384 -19.7384 -17.8341 -17.8341 -8.2576 -8.2576 -4.5809 -4.5809 -4.4597 -4.4597 -4.3786 -4.3786 0.0172 0.0172 1.1183 1.1183 1.5774 1.5774 5.1353 5.1353 9.3595 9.3595 10.2742 10.2742 10.6724 10.6724 k = 0.4273 0.4792 0.0000 ( 3446 PWs) bands (ev): -47.8821 -47.8821 -22.5409 -22.5409 -19.9465 -19.9465 -19.7805 -19.7805 -19.7382 -19.7382 -17.8334 -17.8334 -8.2548 -8.2548 -4.5842 -4.5842 -4.4573 -4.4573 -4.3789 -4.3789 0.0143 0.0143 1.1128 1.1128 1.5752 1.5752 5.1301 5.1301 9.2988 9.2988 10.2933 10.2933 10.7008 10.7008 k = 0.4182 0.4690 0.0000 ( 3438 PWs) bands (ev): -47.8821 -47.8821 -22.5419 -22.5419 -19.9461 -19.9461 -19.7801 -19.7801 -19.7379 -19.7379 -17.8326 -17.8326 -8.2517 -8.2517 -4.5878 -4.5878 -4.4545 -4.4545 -4.3793 -4.3793 0.0110 0.0110 1.1067 1.1067 1.5727 1.5727 5.1242 5.1242 9.2365 9.2365 10.3132 10.3132 10.7330 10.7330 k = 0.4091 0.4588 0.0000 ( 3442 PWs) bands (ev): -47.8821 -47.8821 -22.5430 -22.5430 -19.9457 -19.9457 -19.7797 -19.7797 -19.7376 -19.7376 -17.8318 -17.8318 -8.2482 -8.2482 -4.5919 -4.5919 -4.4515 -4.4515 -4.3797 -4.3797 0.0075 0.0075 1.1000 1.1000 1.5698 1.5698 5.1178 5.1178 9.1732 9.1732 10.3341 10.3341 10.7687 10.7687 k = 0.4000 0.4486 0.0000 ( 3446 PWs) bands (ev): -47.8821 -47.8821 -22.5442 -22.5442 -19.9453 -19.9453 -19.7793 -19.7793 -19.7373 -19.7373 -17.8308 -17.8308 -8.2443 -8.2443 -4.5963 -4.5963 -4.4482 -4.4482 -4.3802 -4.3802 0.0035 0.0035 1.0927 1.0927 1.5666 1.5666 5.1107 5.1107 9.1094 9.1094 10.3560 10.3560 10.8081 10.8081 k = 0.3909 0.4384 0.0000 ( 3444 PWs) bands (ev): -47.8821 -47.8821 -22.5455 -22.5455 -19.9448 -19.9448 -19.7788 -19.7788 -19.7370 -19.7370 -17.8298 -17.8298 -8.2400 -8.2400 -4.6011 -4.6011 -4.4445 -4.4445 -4.3808 -4.3808 -0.0007 -0.0007 1.0848 1.0848 1.5630 1.5630 5.1030 5.1030 9.0458 9.0458 10.3792 10.3792 10.8511 10.8511 k = 0.3818 0.4282 0.0000 ( 3444 PWs) bands (ev): -47.8821 -47.8821 -22.5469 -22.5469 -19.9443 -19.9443 -19.7783 -19.7783 -19.7366 -19.7366 -17.8287 -17.8287 -8.2353 -8.2353 -4.6063 -4.6063 -4.4407 -4.4407 -4.3814 -4.3814 -0.0052 -0.0052 1.0764 1.0764 1.5590 1.5590 5.0948 5.0948 8.9824 8.9824 10.4038 10.4038 10.8976 10.8976 k = 0.3727 0.4180 0.0000 ( 3446 PWs) bands (ev): -47.8821 -47.8821 -22.5483 -22.5483 -19.9438 -19.9438 -19.7778 -19.7778 -19.7363 -19.7363 -17.8275 -17.8275 -8.2303 -8.2303 -4.6118 -4.6118 -4.4365 -4.4365 -4.3821 -4.3821 -0.0100 -0.0100 1.0674 1.0674 1.5546 1.5546 5.0861 5.0861 8.9197 8.9197 10.4298 10.4298 10.9476 10.9476 k = 0.3636 0.4078 0.0000 ( 3444 PWs) bands (ev): -47.8821 -47.8821 -22.5498 -22.5498 -19.9432 -19.9432 -19.7772 -19.7772 -19.7360 -19.7360 -17.8262 -17.8262 -8.2249 -8.2249 -4.6175 -4.6175 -4.4322 -4.4322 -4.3828 -4.3828 -0.0150 -0.0150 1.0580 1.0580 1.5497 1.5497 5.0769 5.0769 8.8579 8.8579 10.4575 10.4575 11.0011 11.0011 k = 0.3545 0.3976 0.0000 ( 3440 PWs) bands (ev): -47.8821 -47.8821 -22.5514 -22.5514 -19.9427 -19.9427 -19.7767 -19.7767 -19.7356 -19.7356 -17.8249 -17.8249 -8.2191 -8.2191 -4.6236 -4.6236 -4.4276 -4.4276 -4.3837 -4.3837 -0.0203 -0.0203 1.0482 1.0482 1.5445 1.5445 5.0673 5.0673 8.7971 8.7971 10.4868 10.4868 11.0579 11.0579 k = 0.3455 0.3874 0.0000 ( 3440 PWs) bands (ev): -47.8821 -47.8821 -22.5530 -22.5530 -19.9421 -19.9421 -19.7761 -19.7761 -19.7352 -19.7352 -17.8235 -17.8235 -8.2129 -8.2129 -4.6300 -4.6300 -4.4229 -4.4229 -4.3846 -4.3846 -0.0259 -0.0259 1.0379 1.0379 1.5388 1.5388 5.0572 5.0572 8.7376 8.7376 10.5179 10.5179 11.1181 11.1181 k = 0.3364 0.3772 0.0000 ( 3442 PWs) bands (ev): -47.8822 -47.8822 -22.5546 -22.5546 -19.9415 -19.9415 -19.7755 -19.7755 -19.7349 -19.7349 -17.8220 -17.8220 -8.2063 -8.2063 -4.6366 -4.6366 -4.4179 -4.4179 -4.3855 -4.3855 -0.0316 -0.0316 1.0273 1.0273 1.5327 1.5327 5.0467 5.0467 8.6793 8.6793 10.5508 10.5508 11.1815 11.1815 k = 0.3273 0.3670 0.0000 ( 3444 PWs) bands (ev): -47.8822 -47.8822 -22.5563 -22.5563 -19.9410 -19.9410 -19.7749 -19.7749 -19.7346 -19.7346 -17.8205 -17.8205 -8.1994 -8.1994 -4.6435 -4.6435 -4.4129 -4.4129 -4.3865 -4.3865 -0.0376 -0.0376 1.0163 1.0163 1.5261 1.5261 5.0358 5.0358 8.6225 8.6225 10.5855 10.5855 11.2481 11.2481 k = 0.3182 0.3568 0.0000 ( 3448 PWs) bands (ev): -47.8822 -47.8822 -22.5580 -22.5580 -19.9404 -19.9404 -19.7744 -19.7744 -19.7342 -19.7342 -17.8190 -17.8190 -8.1922 -8.1922 -4.6506 -4.6506 -4.4078 -4.4078 -4.3874 -4.3874 -0.0437 -0.0437 1.0051 1.0051 1.5191 1.5191 5.0247 5.0247 8.5673 8.5673 10.6222 10.6222 11.3179 11.3179 k = 0.3091 0.3466 0.0000 ( 3450 PWs) bands (ev): -47.8822 -47.8822 -22.5597 -22.5597 -19.9398 -19.9398 -19.7738 -19.7738 -19.7339 -19.7339 -17.8173 -17.8173 -8.1846 -8.1846 -4.6578 -4.6578 -4.4029 -4.4029 -4.3881 -4.3881 -0.0500 -0.0500 0.9936 0.9936 1.5116 1.5116 5.0132 5.0132 8.5136 8.5136 10.6607 10.6607 11.3907 11.3907 k = 0.3000 0.3364 0.0000 ( 3460 PWs) bands (ev): -47.8822 -47.8822 -22.5615 -22.5615 -19.9393 -19.9393 -19.7732 -19.7732 -19.7337 -19.7337 -17.8157 -17.8157 -8.1766 -8.1766 -4.6653 -4.6653 -4.3989 -4.3989 -4.3879 -4.3879 -0.0564 -0.0564 0.9819 0.9819 1.5036 1.5036 5.0015 5.0015 8.4616 8.4616 10.7012 10.7012 11.4665 11.4665 k = 0.2909 0.3262 0.0000 ( 3456 PWs) bands (ev): -47.8822 -47.8822 -22.5632 -22.5632 -19.9387 -19.9387 -19.7726 -19.7726 -19.7334 -19.7334 -17.8140 -17.8140 -8.1684 -8.1684 -4.6729 -4.6729 -4.3969 -4.3969 -4.3856 -4.3856 -0.0629 -0.0629 0.9701 0.9701 1.4953 1.4953 4.9896 4.9896 8.4113 8.4113 10.7436 10.7436 11.5452 11.5452 k = 0.2818 0.3161 0.0000 ( 3456 PWs) bands (ev): -47.8822 -47.8822 -22.5650 -22.5650 -19.9381 -19.9381 -19.7720 -19.7720 -19.7332 -19.7332 -17.8122 -17.8122 -8.1598 -8.1598 -4.6806 -4.6806 -4.3969 -4.3969 -4.3812 -4.3812 -0.0695 -0.0695 0.9581 0.9581 1.4864 1.4864 4.9775 4.9775 8.3628 8.3628 10.7879 10.7879 11.6268 11.6268 k = 0.2727 0.3059 0.0000 ( 3460 PWs) bands (ev): -47.8822 -47.8822 -22.5667 -22.5667 -19.9376 -19.9376 -19.7715 -19.7715 -19.7330 -19.7330 -17.8105 -17.8105 -8.1510 -8.1510 -4.6884 -4.6884 -4.3980 -4.3980 -4.3759 -4.3759 -0.0762 -0.0762 0.9460 0.9460 1.4772 1.4772 4.9652 4.9652 8.3161 8.3161 10.8341 10.8341 11.7111 11.7111 k = 0.2636 0.2957 0.0000 ( 3464 PWs) bands (ev): -47.8823 -47.8823 -22.5684 -22.5684 -19.9370 -19.9370 -19.7709 -19.7709 -19.7328 -19.7328 -17.8087 -17.8087 -8.1419 -8.1419 -4.6962 -4.6962 -4.3995 -4.3995 -4.3701 -4.3701 -0.0829 -0.0829 0.9339 0.9339 1.4676 1.4676 4.9529 4.9529 8.2712 8.2712 10.8822 10.8822 11.7980 11.7980 k = 0.2545 0.2855 0.0000 ( 3458 PWs) bands (ev): -47.8823 -47.8823 -22.5701 -22.5701 -19.9365 -19.9365 -19.7703 -19.7703 -19.7326 -19.7326 -17.8069 -17.8069 -8.1326 -8.1326 -4.7041 -4.7041 -4.4012 -4.4012 -4.3642 -4.3642 -0.0896 -0.0896 0.9219 0.9219 1.4576 1.4576 4.9405 4.9405 8.2282 8.2282 10.9321 10.9321 11.8875 11.8875 k = 0.2455 0.2753 0.0000 ( 3454 PWs) bands (ev): -47.8823 -47.8823 -22.5718 -22.5718 -19.9359 -19.9359 -19.7698 -19.7698 -19.7325 -19.7325 -17.8050 -17.8050 -8.1231 -8.1231 -4.7120 -4.7120 -4.4031 -4.4031 -4.3581 -4.3581 -0.0964 -0.0964 0.9099 0.9099 1.4473 1.4473 4.9281 4.9281 8.1870 8.1870 10.9838 10.9838 11.9795 11.9795 k = 0.2364 0.2651 0.0000 ( 3458 PWs) bands (ev): -47.8823 -47.8823 -22.5735 -22.5735 -19.9355 -19.9355 -19.7692 -19.7692 -19.7324 -19.7324 -17.8032 -17.8032 -8.1134 -8.1134 -4.7199 -4.7199 -4.4051 -4.4051 -4.3521 -4.3521 -0.1031 -0.1031 0.8979 0.8979 1.4367 1.4367 4.9158 4.9158 8.1476 8.1476 11.0371 11.0371 12.0739 12.0739 k = 0.2273 0.2549 0.0000 ( 3458 PWs) bands (ev): -47.8823 -47.8823 -22.5751 -22.5751 -19.9350 -19.9350 -19.7687 -19.7687 -19.7323 -19.7323 -17.8014 -17.8014 -8.1035 -8.1035 -4.7278 -4.7278 -4.4071 -4.4071 -4.3459 -4.3459 -0.1097 -0.1097 0.8860 0.8860 1.4258 1.4258 4.9035 4.9035 8.1102 8.1102 11.0921 11.0921 12.1705 12.1705 k = 0.2182 0.2447 0.0000 ( 3462 PWs) bands (ev): -47.8823 -47.8823 -22.5766 -22.5766 -19.9345 -19.9345 -19.7682 -19.7682 -19.7323 -19.7323 -17.7995 -17.7995 -8.0936 -8.0936 -4.7357 -4.7357 -4.4093 -4.4093 -4.3399 -4.3399 -0.1163 -0.1163 0.8743 0.8743 1.4146 1.4146 4.8913 4.8913 8.0745 8.0745 11.1486 11.1486 12.2692 12.2692 k = 0.2091 0.2345 0.0000 ( 3466 PWs) bands (ev): -47.8823 -47.8823 -22.5781 -22.5781 -19.9341 -19.9341 -19.7677 -19.7677 -19.7324 -19.7324 -17.7977 -17.7977 -8.0836 -8.0836 -4.7434 -4.7434 -4.4115 -4.4115 -4.3338 -4.3338 -0.1228 -0.1228 0.8628 0.8628 1.4032 1.4032 4.8792 4.8792 8.0407 8.0407 11.2065 11.2065 12.3700 12.3700 k = 0.2000 0.2243 0.0000 ( 3464 PWs) bands (ev): -47.8823 -47.8823 -22.5796 -22.5796 -19.9337 -19.9337 -19.7672 -19.7672 -19.7324 -19.7324 -17.7959 -17.7959 -8.0735 -8.0735 -4.7510 -4.7510 -4.4137 -4.4137 -4.3278 -4.3278 -0.1292 -0.1292 0.8515 0.8515 1.3918 1.3918 4.8673 4.8673 8.0088 8.0088 11.2657 11.2657 12.4727 12.4727 k = 0.1909 0.2141 0.0000 ( 3460 PWs) bands (ev): -47.8823 -47.8823 -22.5810 -22.5810 -19.9333 -19.9333 -19.7668 -19.7668 -19.7325 -19.7325 -17.7941 -17.7941 -8.0635 -8.0635 -4.7585 -4.7585 -4.4160 -4.4160 -4.3219 -4.3219 -0.1355 -0.1355 0.8405 0.8405 1.3802 1.3802 4.8557 4.8557 7.9786 7.9786 11.3261 11.3261 12.5771 12.5771 k = 0.1818 0.2039 0.0000 ( 3456 PWs) bands (ev): -47.8823 -47.8823 -22.5824 -22.5824 -19.9329 -19.9329 -19.7663 -19.7663 -19.7325 -19.7325 -17.7924 -17.7924 -8.0535 -8.0535 -4.7658 -4.7658 -4.4183 -4.4183 -4.3162 -4.3162 -0.1416 -0.1416 0.8298 0.8298 1.3686 1.3686 4.8443 4.8443 7.9503 7.9503 11.3874 11.3874 12.6831 12.6831 k = 0.1727 0.1937 0.0000 ( 3452 PWs) bands (ev): -47.8824 -47.8824 -22.5837 -22.5837 -19.9326 -19.9326 -19.7659 -19.7659 -19.7326 -19.7326 -17.7907 -17.7907 -8.0436 -8.0436 -4.7729 -4.7729 -4.4206 -4.4206 -4.3105 -4.3105 -0.1476 -0.1476 0.8194 0.8194 1.3570 1.3570 4.8332 4.8332 7.9236 7.9236 11.4497 11.4497 12.7905 12.7905 k = 0.1636 0.1835 0.0000 ( 3460 PWs) bands (ev): -47.8824 -47.8824 -22.5849 -22.5849 -19.9323 -19.9323 -19.7655 -19.7655 -19.7328 -19.7328 -17.7890 -17.7890 -8.0338 -8.0338 -4.7799 -4.7799 -4.4229 -4.4229 -4.3050 -4.3050 -0.1534 -0.1534 0.8093 0.8093 1.3455 1.3455 4.8224 4.8224 7.8987 7.8987 11.5125 11.5125 12.8992 12.8992 k = 0.1545 0.1733 0.0000 ( 3460 PWs) bands (ev): -47.8824 -47.8824 -22.5861 -22.5861 -19.9320 -19.9320 -19.7652 -19.7652 -19.7329 -19.7329 -17.7874 -17.7874 -8.0242 -8.0242 -4.7866 -4.7866 -4.4252 -4.4252 -4.2997 -4.2997 -0.1590 -0.1590 0.7996 0.7996 1.3342 1.3342 4.8120 4.8120 7.8755 7.8755 11.5758 11.5758 13.0088 13.0088 k = 0.1455 0.1631 0.0000 ( 3452 PWs) bands (ev): -47.8824 -47.8824 -22.5872 -22.5872 -19.9317 -19.9317 -19.7648 -19.7648 -19.7330 -19.7330 -17.7859 -17.7859 -8.0149 -8.0149 -4.7930 -4.7930 -4.4274 -4.4274 -4.2945 -4.2945 -0.1643 -0.1643 0.7903 0.7903 1.3231 1.3231 4.8020 4.8020 7.8539 7.8539 11.6393 11.6393 13.1192 13.1192 k = 0.1364 0.1529 0.0000 ( 3452 PWs) bands (ev): -47.8824 -47.8824 -22.5882 -22.5882 -19.9315 -19.9315 -19.7645 -19.7645 -19.7332 -19.7332 -17.7844 -17.7844 -8.0058 -8.0058 -4.7992 -4.7992 -4.4296 -4.4296 -4.2896 -4.2896 -0.1694 -0.1694 0.7815 0.7815 1.3122 1.3122 4.7925 4.7925 7.8339 7.8339 11.7027 11.7027 13.2300 13.2300 k = 0.1273 0.1427 0.0000 ( 3452 PWs) bands (ev): -47.8824 -47.8824 -22.5892 -22.5892 -19.9313 -19.9313 -19.7641 -19.7641 -19.7334 -19.7334 -17.7830 -17.7830 -7.9971 -7.9971 -4.8051 -4.8051 -4.4317 -4.4317 -4.2849 -4.2849 -0.1743 -0.1743 0.7731 0.7731 1.3017 1.3017 4.7834 4.7834 7.8154 7.8154 11.7657 11.7657 13.3408 13.3408 k = 0.1182 0.1325 0.0000 ( 3452 PWs) bands (ev): -47.8824 -47.8824 -22.5901 -22.5901 -19.9311 -19.9311 -19.7639 -19.7639 -19.7335 -19.7335 -17.7816 -17.7816 -7.9887 -7.9887 -4.8107 -4.8107 -4.4338 -4.4338 -4.2804 -4.2804 -0.1789 -0.1789 0.7651 0.7651 1.2916 1.2916 4.7748 4.7748 7.7985 7.7985 11.8281 11.8281 13.4513 13.4513 k = 0.1091 0.1223 0.0000 ( 3452 PWs) bands (ev): -47.8824 -47.8824 -22.5910 -22.5910 -19.9309 -19.9309 -19.7636 -19.7636 -19.7337 -19.7337 -17.7803 -17.7803 -7.9807 -7.9807 -4.8159 -4.8159 -4.4358 -4.4358 -4.2762 -4.2762 -0.1832 -0.1832 0.7577 0.7577 1.2819 1.2819 4.7667 4.7667 7.7831 7.7831 11.8893 11.8893 13.5607 13.5607 k = 0.1000 0.1121 0.0000 ( 3462 PWs) bands (ev): -47.8824 -47.8824 -22.5917 -22.5917 -19.9308 -19.9308 -19.7634 -19.7634 -19.7339 -19.7339 -17.7791 -17.7791 -7.9732 -7.9732 -4.8208 -4.8208 -4.4376 -4.4376 -4.2723 -4.2723 -0.1872 -0.1872 0.7508 0.7508 1.2728 1.2728 4.7591 4.7591 7.7691 7.7691 11.9489 11.9489 13.6683 13.6683 k = 0.0909 0.1020 0.0000 ( 3478 PWs) bands (ev): -47.8825 -47.8825 -22.5925 -22.5925 -19.9308 -19.9308 -19.7633 -19.7633 -19.7342 -19.7342 -17.7780 -17.7780 -7.9662 -7.9662 -4.8254 -4.8254 -4.4394 -4.4394 -4.2687 -4.2687 -0.1910 -0.1910 0.7444 0.7444 1.2641 1.2641 4.7521 4.7521 7.7564 7.7564 12.0066 12.0066 13.7546 13.7546 k = 0.0818 0.0918 0.0000 ( 3480 PWs) bands (ev): -47.8825 -47.8825 -22.5931 -22.5931 -19.9307 -19.9307 -19.7631 -19.7631 -19.7344 -19.7344 -17.7770 -17.7770 -7.9597 -7.9597 -4.8295 -4.8295 -4.4410 -4.4410 -4.2654 -4.2654 -0.1944 -0.1944 0.7386 0.7386 1.2562 1.2562 4.7457 4.7457 7.7451 7.7451 12.0618 12.0618 13.7550 13.7550 k = 0.0727 0.0816 0.0000 ( 3481 PWs) bands (ev): -47.8825 -47.8825 -22.5937 -22.5937 -19.9306 -19.9306 -19.7629 -19.7629 -19.7346 -19.7346 -17.7761 -17.7761 -7.9538 -7.9538 -4.8332 -4.8332 -4.4425 -4.4425 -4.2624 -4.2624 -0.1974 -0.1974 0.7334 0.7334 1.2489 1.2489 4.7399 4.7399 7.7351 7.7351 12.1139 12.1139 13.7529 13.7529 k = 0.0636 0.0714 0.0000 ( 3485 PWs) bands (ev): -47.8825 -47.8825 -22.5942 -22.5942 -19.9305 -19.9305 -19.7628 -19.7628 -19.7347 -19.7347 -17.7753 -17.7753 -7.9486 -7.9486 -4.8366 -4.8366 -4.4439 -4.4439 -4.2597 -4.2597 -0.2001 -0.2001 0.7287 0.7287 1.2424 1.2424 4.7349 4.7349 7.7264 7.7264 12.1623 12.1623 13.7490 13.7490 k = 0.0545 0.0612 0.0000 ( 3473 PWs) bands (ev): -47.8825 -47.8825 -22.5946 -22.5946 -19.9304 -19.9304 -19.7626 -19.7626 -19.7348 -19.7348 -17.7746 -17.7746 -7.9439 -7.9439 -4.8395 -4.8395 -4.4451 -4.4451 -4.2573 -4.2573 -0.2025 -0.2025 0.7247 0.7247 1.2367 1.2367 4.7304 4.7304 7.7189 7.7189 12.2062 12.2062 13.7441 13.7441 k = 0.0455 0.0510 0.0000 ( 3481 PWs) bands (ev): -47.8825 -47.8825 -22.5950 -22.5950 -19.9304 -19.9304 -19.7625 -19.7625 -19.7349 -19.7349 -17.7739 -17.7739 -7.9399 -7.9399 -4.8419 -4.8419 -4.4461 -4.4461 -4.2553 -4.2553 -0.2045 -0.2045 0.7212 0.7212 1.2317 1.2317 4.7266 4.7266 7.7126 7.7126 12.2451 12.2451 13.7386 13.7386 k = 0.0364 0.0408 0.0000 ( 3477 PWs) bands (ev): -47.8825 -47.8825 -22.5953 -22.5953 -19.9303 -19.9303 -19.7624 -19.7624 -19.7350 -19.7350 -17.7734 -17.7734 -7.9366 -7.9366 -4.8440 -4.8440 -4.4469 -4.4469 -4.2536 -4.2536 -0.2062 -0.2062 0.7184 0.7184 1.2276 1.2276 4.7234 4.7234 7.7075 7.7075 12.2781 12.2781 13.7330 13.7330 k = 0.0273 0.0306 0.0000 ( 3485 PWs) bands (ev): -47.8825 -47.8825 -22.5955 -22.5955 -19.9303 -19.9303 -19.7624 -19.7624 -19.7351 -19.7351 -17.7731 -17.7731 -7.9340 -7.9340 -4.8456 -4.8456 -4.4476 -4.4476 -4.2523 -4.2523 -0.2075 -0.2075 0.7162 0.7162 1.2244 1.2244 4.7209 4.7209 7.7036 7.7036 12.3047 12.3047 13.7280 13.7280 k = 0.0182 0.0204 0.0000 ( 3485 PWs) bands (ev): -47.8825 -47.8825 -22.5957 -22.5957 -19.9303 -19.9303 -19.7623 -19.7623 -19.7352 -19.7352 -17.7728 -17.7728 -7.9322 -7.9322 -4.8467 -4.8467 -4.4481 -4.4481 -4.2514 -4.2514 -0.2084 -0.2084 0.7146 0.7146 1.2221 1.2221 4.7192 4.7192 7.7008 7.7008 12.3242 12.3242 13.7240 13.7240 k = 0.0091 0.0102 0.0000 ( 3489 PWs) bands (ev): -47.8825 -47.8825 -22.5958 -22.5958 -19.9303 -19.9303 -19.7623 -19.7623 -19.7352 -19.7352 -17.7726 -17.7726 -7.9311 -7.9311 -4.8474 -4.8474 -4.4484 -4.4484 -4.2509 -4.2509 -0.2090 -0.2090 0.7136 0.7136 1.2207 1.2207 4.7181 4.7181 7.6991 7.6991 12.3360 12.3360 13.7215 13.7215 k = 0.0000 0.0000 0.0000 ( 3487 PWs) bands (ev): -47.8825 -47.8825 -22.5958 -22.5958 -19.9303 -19.9303 -19.7623 -19.7623 -19.7352 -19.7352 -17.7725 -17.7725 -7.9307 -7.9307 -4.8476 -4.8476 -4.4485 -4.4485 -4.2507 -4.2507 -0.2092 -0.2092 0.7133 0.7133 1.2203 1.2203 4.7178 4.7178 7.6986 7.6986 12.3400 12.3400 13.7206 13.7206 k = 0.0000 0.0000 0.0000 ( 3487 PWs) bands (ev): -47.8825 -47.8825 -22.5958 -22.5958 -19.9303 -19.9303 -19.7623 -19.7623 -19.7352 -19.7352 -17.7725 -17.7725 -7.9307 -7.9307 -4.8476 -4.8476 -4.4485 -4.4485 -4.2507 -4.2507 -0.2092 -0.2092 0.7133 0.7133 1.2203 1.2203 4.7178 4.7178 7.6986 7.6986 12.3400 12.3400 13.7206 13.7206 k = 0.0085-0.0076 0.0076 ( 3487 PWs) bands (ev): -47.8825 -47.8825 -22.5958 -22.5958 -19.9303 -19.9302 -19.7623 -19.7622 -19.7352 -19.7352 -17.7728 -17.7727 -7.9303 -7.9303 -4.8504 -4.8496 -4.4465 -4.4455 -4.2508 -4.2508 -0.2090 -0.2090 0.7111 0.7119 1.2207 1.2217 4.7182 4.7182 7.7001 7.7003 12.3408 12.3414 13.7077 13.7079 k = 0.0170-0.0151 0.0153 ( 3483 PWs) bands (ev): -47.8825 -47.8825 -22.5957 -22.5957 -19.9302 -19.9301 -19.7622 -19.7620 -19.7352 -19.7352 -17.7735 -17.7734 -7.9291 -7.9291 -4.8577 -4.8561 -4.4397 -4.4379 -4.2513 -4.2513 -0.2087 -0.2087 0.7056 0.7071 1.2229 1.2251 4.7196 4.7196 7.7048 7.7053 12.3436 12.3448 13.6723 13.6728 k = 0.0254-0.0227 0.0229 ( 3487 PWs) bands (ev): -47.8825 -47.8825 -22.5956 -22.5955 -19.9301 -19.9299 -19.7621 -19.7617 -19.7353 -19.7353 -17.7746 -17.7745 -7.9272 -7.9271 -4.8690 -4.8666 -4.4287 -4.4261 -4.2521 -4.2521 -0.2082 -0.2081 0.6966 0.6989 1.2270 1.2301 4.7217 4.7217 7.7127 7.7134 12.3483 12.3501 13.6210 13.6218 k = 0.0339-0.0302 0.0306 ( 3481 PWs) bands (ev): -47.8825 -47.8825 -22.5953 -22.5953 -19.9298 -19.9296 -19.7617 -19.7613 -19.7353 -19.7353 -17.7761 -17.7759 -7.9245 -7.9244 -4.8834 -4.8805 -4.4142 -4.4109 -4.2533 -4.2532 -0.2074 -0.2074 0.6847 0.6876 1.2328 1.2368 4.7247 4.7248 7.7238 7.7247 12.3545 12.3570 13.5600 13.5611 k = 0.0424-0.0378 0.0382 ( 3483 PWs) bands (ev): -47.8825 -47.8825 -22.5951 -22.5950 -19.9295 -19.9293 -19.7614 -19.7609 -19.7354 -19.7354 -17.7781 -17.7778 -7.9212 -7.9211 -4.9002 -4.8969 -4.3969 -4.3930 -4.2547 -4.2547 -0.2064 -0.2063 0.6699 0.6733 1.2401 1.2449 4.7286 4.7286 7.7379 7.7391 12.3617 12.3649 13.4931 13.4946 k = 0.0509-0.0454 0.0459 ( 3481 PWs) bands (ev): -47.8825 -47.8825 -22.5947 -22.5947 -19.9291 -19.9289 -19.7609 -19.7604 -19.7354 -19.7354 -17.7804 -17.7801 -7.9172 -7.9171 -4.9187 -4.9150 -4.3776 -4.3733 -4.2564 -4.2564 -0.2051 -0.2051 0.6527 0.6565 1.2487 1.2543 4.7333 4.7334 7.7550 7.7564 12.3694 12.3733 13.4230 13.4248 k = 0.0594-0.0529 0.0535 ( 3485 PWs) bands (ev): -47.8825 -47.8825 -22.5943 -22.5943 -19.9287 -19.9285 -19.7603 -19.7598 -19.7355 -19.7355 -17.7831 -17.7828 -7.9127 -7.9126 -4.9383 -4.9343 -4.3570 -4.3523 -4.2585 -4.2584 -0.2037 -0.2037 0.6332 0.6374 1.2586 1.2648 4.7389 4.7389 7.7749 7.7765 12.3766 12.3813 13.3512 13.3534 k = 0.0678-0.0605 0.0612 ( 3489 PWs) bands (ev): -47.8825 -47.8825 -22.5939 -22.5938 -19.9282 -19.9281 -19.7597 -19.7592 -19.7356 -19.7356 -17.7862 -17.7858 -7.9077 -7.9076 -4.9583 -4.9543 -4.3355 -4.3304 -4.2608 -4.2607 -0.2020 -0.2020 0.6119 0.6164 1.2694 1.2763 4.7451 4.7452 7.7976 7.7993 12.3824 12.3879 13.2788 13.2814 k = 0.0763-0.0681 0.0688 ( 3483 PWs) bands (ev): -47.8825 -47.8825 -22.5934 -22.5933 -19.9277 -19.9276 -19.7589 -19.7585 -19.7357 -19.7357 -17.7895 -17.7892 -7.9024 -7.9023 -4.9785 -4.9743 -4.3136 -4.3083 -4.2633 -4.2631 -0.2001 -0.2000 0.5891 0.5939 1.2813 1.2886 4.7522 4.7522 7.8228 7.8247 12.3856 12.3919 13.2064 13.2094 k = 0.0848-0.0756 0.0765 ( 3475 PWs) bands (ev): -47.8825 -47.8825 -22.5928 -22.5927 -19.9272 -19.9270 -19.7580 -19.7577 -19.7357 -19.7357 -17.7932 -17.7928 -7.8968 -7.8967 -4.9985 -4.9942 -4.2920 -4.2865 -4.2656 -4.2654 -0.1979 -0.1979 0.5652 0.5701 1.2939 1.3016 4.7599 4.7600 7.8504 7.8525 12.3847 12.3918 13.1344 13.1378 k = 0.0933-0.0832 0.0841 ( 3479 PWs) bands (ev): -47.8825 -47.8825 -22.5921 -22.5920 -19.9267 -19.9264 -19.7572 -19.7570 -19.7358 -19.7358 -17.7971 -17.7967 -7.8911 -7.8909 -5.0178 -5.0135 -4.2750 -4.2721 -4.2637 -4.2612 -0.1955 -0.1955 0.5403 0.5454 1.3071 1.3153 4.7683 4.7684 7.8803 7.8826 12.3783 12.3862 13.0630 13.0666 k = 0.1018-0.0907 0.0917 ( 3479 PWs) bands (ev): -47.8824 -47.8824 -22.5914 -22.5913 -19.9263 -19.9257 -19.7563 -19.7562 -19.7359 -19.7359 -17.8012 -17.8008 -7.8853 -7.8852 -5.0363 -5.0319 -4.2745 -4.2739 -4.2462 -4.2412 -0.1929 -0.1929 0.5150 0.5202 1.3210 1.3295 4.7774 4.7774 7.9122 7.9147 12.3650 12.3736 12.9919 12.9956 k = 0.1102-0.0983 0.0994 ( 3477 PWs) bands (ev): -47.8824 -47.8824 -22.5906 -22.5905 -19.9259 -19.9250 -19.7556 -19.7552 -19.7360 -19.7360 -17.8055 -17.8050 -7.8797 -7.8795 -5.0538 -5.0494 -4.2777 -4.2774 -4.2259 -4.2206 -0.1900 -0.1900 0.4895 0.4948 1.3354 1.3442 4.7870 4.7870 7.9461 7.9487 12.3438 12.3528 12.9207 12.9244 k = 0.1187-0.1059 0.1070 ( 3473 PWs) bands (ev): -47.8824 -47.8824 -22.5898 -22.5897 -19.9255 -19.9243 -19.7548 -19.7542 -19.7361 -19.7361 -17.8099 -17.8094 -7.8743 -7.8742 -5.0699 -5.0655 -4.2814 -4.2812 -4.2062 -4.2006 -0.1869 -0.1869 0.4641 0.4694 1.3503 1.3593 4.7971 4.7971 7.9818 7.9845 12.3141 12.3233 12.8488 12.8523 k = 0.1272-0.1134 0.1147 ( 3475 PWs) bands (ev): -47.8824 -47.8824 -22.5889 -22.5888 -19.9251 -19.9236 -19.7542 -19.7531 -19.7363 -19.7362 -17.8144 -17.8140 -7.8693 -7.8692 -5.0846 -5.0802 -4.2855 -4.2853 -4.1873 -4.1817 -0.1836 -0.1835 0.4391 0.4445 1.3655 1.3747 4.8077 4.8078 8.0190 8.0218 12.2757 12.2849 12.7755 12.7786 k = 0.1357-0.1210 0.1223 ( 3471 PWs) bands (ev): -47.8824 -47.8824 -22.5880 -22.5878 -19.9248 -19.9229 -19.7535 -19.7520 -19.7364 -19.7363 -17.8190 -17.8186 -7.8648 -7.8647 -5.0976 -5.0932 -4.2898 -4.2897 -4.1696 -4.1639 -0.1800 -0.1799 0.4148 0.4203 1.3810 1.3905 4.8188 4.8188 8.0576 8.0606 12.2293 12.2382 12.7005 12.7030 k = 0.1442-0.1286 0.1300 ( 3463 PWs) bands (ev): -47.8824 -47.8824 -22.5870 -22.5868 -19.9245 -19.9221 -19.7529 -19.7509 -19.7365 -19.7364 -17.8236 -17.8232 -7.8609 -7.8608 -5.1088 -5.1045 -4.2944 -4.2943 -4.1531 -4.1474 -0.1761 -0.1761 0.3916 0.3971 1.3969 1.4065 4.8303 4.8303 8.0975 8.1006 12.1757 12.1841 12.6236 12.6255 k = 0.1526-0.1361 0.1376 ( 3463 PWs) bands (ev): -47.8824 -47.8824 -22.5859 -22.5858 -19.9243 -19.9214 -19.7524 -19.7498 -19.7366 -19.7365 -17.8281 -17.8277 -7.8579 -7.8578 -5.1182 -5.1139 -4.2992 -4.2991 -4.1381 -4.1323 -0.1721 -0.1721 0.3697 0.3752 1.4129 1.4227 4.8420 4.8421 8.1386 8.1417 12.1157 12.1235 12.5452 12.5465 k = 0.1611-0.1437 0.1453 ( 3465 PWs) bands (ev): -47.8824 -47.8824 -22.5848 -22.5846 -19.9242 -19.9207 -19.7520 -19.7488 -19.7367 -19.7366 -17.8326 -17.8323 -7.8557 -7.8556 -5.1256 -5.1213 -4.3041 -4.3041 -4.1245 -4.1187 -0.1678 -0.1678 0.3493 0.3549 1.4291 1.4391 4.8541 4.8541 8.1806 8.1838 12.0505 12.0576 12.4659 12.4665 k = 0.1696-0.1512 0.1529 ( 3467 PWs) bands (ev): -47.8824 -47.8824 -22.5837 -22.5835 -19.9241 -19.9201 -19.7517 -19.7479 -19.7369 -19.7367 -17.8370 -17.8367 -7.8545 -7.8544 -5.1308 -5.1266 -4.3093 -4.3092 -4.1126 -4.1067 -0.1634 -0.1633 0.3308 0.3364 1.4455 1.4556 4.8663 4.8664 8.2235 8.2267 11.9806 11.9870 12.3864 12.3864 k = 0.1781-0.1588 0.1606 ( 3463 PWs) bands (ev): -47.8824 -47.8824 -22.5825 -22.5822 -19.9241 -19.9195 -19.7515 -19.7470 -19.7370 -19.7367 -17.8412 -17.8410 -7.8544 -7.8543 -5.1340 -5.1298 -4.3145 -4.3144 -4.1023 -4.0964 -0.1586 -0.1586 0.3143 0.3200 1.4618 1.4721 4.8788 4.8788 8.2671 8.2704 11.9070 11.9126 12.3067 12.3073 k = 0.1866-0.1664 0.1682 ( 3459 PWs) bands (ev): -47.8823 -47.8823 -22.5812 -22.5810 -19.9242 -19.9189 -19.7514 -19.7462 -19.7370 -19.7367 -17.8453 -17.8450 -7.8554 -7.8554 -5.1349 -5.1308 -4.3199 -4.3198 -4.0937 -4.0878 -0.1537 -0.1537 0.3001 0.3059 1.4782 1.4886 4.8913 4.8914 8.3113 8.3147 11.8301 11.8350 12.2283 12.2294 k = 0.1951-0.1739 0.1759 ( 3455 PWs) bands (ev): -47.8823 -47.8823 -22.5799 -22.5796 -19.9243 -19.9184 -19.7515 -19.7455 -19.7371 -19.7367 -17.8491 -17.8489 -7.8577 -7.8577 -5.1336 -5.1296 -4.3254 -4.3253 -4.0868 -4.0810 -0.1486 -0.1485 0.2884 0.2942 1.4945 1.5050 4.9040 4.9040 8.3561 8.3594 11.7505 11.7547 12.1515 12.1531 k = 0.2035-0.1815 0.1835 ( 3459 PWs) bands (ev): -47.8823 -47.8823 -22.5785 -22.5783 -19.9246 -19.9180 -19.7518 -19.7451 -19.7371 -19.7367 -17.8527 -17.8526 -7.8613 -7.8613 -5.1302 -5.1262 -4.3310 -4.3309 -4.0817 -4.0760 -0.1432 -0.1432 0.2793 0.2851 1.5106 1.5213 4.9166 4.9166 8.4013 8.4046 11.6687 11.6723 12.0768 12.0789 k = 0.2120-0.1890 0.1911 ( 3459 PWs) bands (ev): -47.8823 -47.8823 -22.5771 -22.5769 -19.9249 -19.9176 -19.7522 -19.7447 -19.7370 -19.7367 -17.8560 -17.8560 -7.8662 -7.8662 -5.1246 -5.1207 -4.3366 -4.3366 -4.0784 -4.0727 -0.1377 -0.1377 0.2729 0.2788 1.5266 1.5374 4.9292 4.9292 8.4468 8.4502 11.5851 11.5882 12.0044 12.0069 k = 0.2205-0.1966 0.1988 ( 3459 PWs) bands (ev): -47.8823 -47.8823 -22.5757 -22.5754 -19.9253 -19.9173 -19.7527 -19.7446 -19.7370 -19.7366 -17.8591 -17.8591 -7.8724 -7.8723 -5.1168 -5.1130 -4.3424 -4.3423 -4.0768 -4.0712 -0.1320 -0.1319 0.2694 0.2755 1.5422 1.5531 4.9416 4.9417 8.4926 8.4960 11.5003 11.5028 11.9345 11.9373 k = 0.2290-0.2042 0.2064 ( 3461 PWs) bands (ev): -47.8823 -47.8823 -22.5742 -22.5739 -19.9258 -19.9171 -19.7534 -19.7446 -19.7369 -19.7366 -17.8618 -17.8618 -7.8799 -7.8798 -5.1070 -5.1033 -4.3481 -4.3480 -4.0770 -4.0714 -0.1261 -0.1261 0.2689 0.2751 1.5575 1.5686 4.9540 4.9540 8.5387 8.5420 11.4145 11.4167 11.8671 11.8701 k = 0.2375-0.2117 0.2141 ( 3461 PWs) bands (ev): -47.8823 -47.8823 -22.5727 -22.5724 -19.9264 -19.9170 -19.7542 -19.7447 -19.7368 -19.7366 -17.8643 -17.8641 -7.8887 -7.8886 -5.0953 -5.0916 -4.3539 -4.3538 -4.0789 -4.0734 -0.1201 -0.1201 0.2715 0.2777 1.5725 1.5836 4.9662 4.9662 8.5850 8.5883 11.3284 11.3302 11.8023 11.8054 k = 0.2459-0.2193 0.2217 ( 3469 PWs) bands (ev): -47.8823 -47.8823 -22.5712 -22.5709 -19.9270 -19.9169 -19.7552 -19.7450 -19.7368 -19.7366 -17.8664 -17.8662 -7.8988 -7.8986 -5.0817 -5.0781 -4.3597 -4.3596 -4.0824 -4.0769 -0.1140 -0.1139 0.2771 0.2834 1.5869 1.5981 4.9781 4.9782 8.6314 8.6346 11.2421 11.2436 11.7399 11.7432 k = 0.2544-0.2269 0.2294 ( 3473 PWs) bands (ev): -47.8823 -47.8823 -22.5696 -22.5693 -19.9278 -19.9170 -19.7563 -19.7455 -19.7367 -19.7366 -17.8681 -17.8678 -7.9099 -7.9097 -5.0664 -5.0628 -4.3655 -4.3654 -4.0874 -4.0821 -0.1077 -0.1077 0.2857 0.2922 1.6007 1.6121 4.9899 4.9899 8.6780 8.6811 11.1561 11.1574 11.6800 11.6833 k = 0.2629-0.2344 0.2370 ( 3473 PWs) bands (ev): -47.8823 -47.8823 -22.5681 -22.5677 -19.9286 -19.9172 -19.7575 -19.7460 -19.7367 -19.7367 -17.8695 -17.8691 -7.9222 -7.9220 -5.0494 -5.0459 -4.3712 -4.3712 -4.0939 -4.0886 -0.1013 -0.1013 0.2975 0.3041 1.6140 1.6254 5.0013 5.0013 8.7247 8.7278 11.0707 11.0719 11.6225 11.6258 k = 0.2714-0.2420 0.2447 ( 3473 PWs) bands (ev): -47.8823 -47.8823 -22.5665 -22.5661 -19.9294 -19.9174 -19.7588 -19.7467 -19.7367 -19.7367 -17.8705 -17.8701 -7.9355 -7.9352 -5.0310 -5.0276 -4.3769 -4.3769 -4.1017 -4.0966 -0.0948 -0.0948 0.3123 0.3191 1.6265 1.6380 5.0124 5.0124 8.7715 8.7746 10.9861 10.9872 11.5674 11.5706 k = 0.2799-0.2495 0.2523 ( 3469 PWs) bands (ev): -47.8823 -47.8823 -22.5649 -22.5645 -19.9303 -19.9177 -19.7601 -19.7474 -19.7368 -19.7367 -17.8711 -17.8707 -7.9496 -7.9493 -5.0114 -5.0080 -4.3826 -4.3825 -4.1108 -4.1058 -0.0883 -0.0883 0.3300 0.3369 1.6382 1.6499 5.0231 5.0231 8.8186 8.8215 10.9027 10.9037 11.5145 11.5177 k = 0.2883-0.2571 0.2600 ( 3469 PWs) bands (ev): -47.8822 -47.8822 -22.5633 -22.5629 -19.9313 -19.9182 -19.7615 -19.7483 -19.7368 -19.7368 -17.8714 -17.8709 -7.9646 -7.9643 -4.9906 -4.9873 -4.3882 -4.3881 -4.1210 -4.1161 -0.0817 -0.0817 0.3505 0.3576 1.6491 1.6608 5.0335 5.0335 8.8658 8.8686 10.8206 10.8215 11.4639 11.4670 k = 0.2968-0.2647 0.2676 ( 3465 PWs) bands (ev): -47.8822 -47.8822 -22.5617 -22.5613 -19.9323 -19.9188 -19.7630 -19.7493 -19.7369 -19.7369 -17.8714 -17.8708 -7.9802 -7.9799 -4.9689 -4.9657 -4.3936 -4.3935 -4.1323 -4.1274 -0.0751 -0.0751 0.3738 0.3811 1.6590 1.6708 5.0434 5.0435 8.9132 8.9158 10.7400 10.7408 11.4155 11.4184 k = 0.3053-0.2722 0.2752 ( 3463 PWs) bands (ev): -47.8822 -47.8822 -22.5601 -22.5597 -19.9333 -19.9194 -19.7646 -19.7504 -19.7370 -19.7370 -17.8710 -17.8704 -7.9964 -7.9961 -4.9464 -4.9432 -4.3990 -4.3989 -4.1443 -4.1396 -0.0685 -0.0685 0.3996 0.4071 1.6679 1.6799 5.0530 5.0530 8.9608 8.9634 10.6611 10.6619 11.3692 11.3720 k = 0.3138-0.2798 0.2829 ( 3463 PWs) bands (ev): -47.8822 -47.8822 -22.5585 -22.5581 -19.9344 -19.9202 -19.7662 -19.7516 -19.7372 -19.7371 -17.8703 -17.8697 -8.0130 -8.0127 -4.9234 -4.9202 -4.4043 -4.4042 -4.1571 -4.1525 -0.0620 -0.0620 0.4279 0.4356 1.6758 1.6878 5.0621 5.0621 9.0088 9.0112 10.5841 10.5849 11.3251 11.3277 k = 0.3223-0.2874 0.2905 ( 3457 PWs) bands (ev): -47.8822 -47.8822 -22.5569 -22.5565 -19.9355 -19.9211 -19.7678 -19.7529 -19.7373 -19.7372 -17.8694 -17.8687 -8.0300 -8.0296 -4.8999 -4.8968 -4.4094 -4.4093 -4.1705 -4.1660 -0.0555 -0.0554 0.4585 0.4663 1.6825 1.6946 5.0707 5.0707 9.0571 9.0594 10.5091 10.5099 11.2830 11.2854 k = 0.3307-0.2949 0.2982 ( 3461 PWs) bands (ev): -47.8822 -47.8822 -22.5553 -22.5550 -19.9367 -19.9221 -19.7694 -19.7543 -19.7375 -19.7373 -17.8681 -17.8674 -8.0471 -8.0467 -4.8762 -4.8732 -4.4144 -4.4143 -4.1843 -4.1799 -0.0490 -0.0490 0.4911 0.4991 1.6880 1.7001 5.0789 5.0789 9.1058 9.1079 10.4363 10.4372 11.2430 11.2452 k = 0.3392-0.3025 0.3058 ( 3465 PWs) bands (ev): -47.8822 -47.8822 -22.5538 -22.5535 -19.9379 -19.9232 -19.7710 -19.7558 -19.7377 -19.7375 -17.8667 -17.8659 -8.0643 -8.0639 -4.8524 -4.8495 -4.4192 -4.4191 -4.1985 -4.1942 -0.0427 -0.0427 0.5256 0.5337 1.6922 1.7044 5.0866 5.0866 9.1550 9.1570 10.3659 10.3667 11.2050 11.2070 k = 0.3477-0.3100 0.3135 ( 3461 PWs) bands (ev): -47.8822 -47.8822 -22.5523 -22.5520 -19.9390 -19.9244 -19.7725 -19.7573 -19.7378 -19.7376 -17.8650 -17.8642 -8.0814 -8.0811 -4.8288 -4.8258 -4.4239 -4.4238 -4.2128 -4.2086 -0.0365 -0.0365 0.5618 0.5701 1.6952 1.7073 5.0939 5.0939 9.2048 9.2066 10.2979 10.2989 11.1689 11.1706 k = 0.3562-0.3176 0.3211 ( 3455 PWs) bands (ev): -47.8822 -47.8822 -22.5508 -22.5505 -19.9401 -19.9257 -19.7740 -19.7588 -19.7380 -19.7377 -17.8632 -17.8624 -8.0984 -8.0980 -4.8054 -4.8025 -4.4284 -4.4283 -4.2271 -4.2230 -0.0305 -0.0304 0.5993 0.6078 1.6967 1.7088 5.1007 5.1007 9.2552 9.2568 10.2327 10.2337 11.1347 11.1362 k = 0.3647-0.3252 0.3288 ( 3447 PWs) bands (ev): -47.8821 -47.8821 -22.5494 -22.5491 -19.9412 -19.9270 -19.7754 -19.7604 -19.7381 -19.7378 -17.8612 -17.8604 -8.1150 -8.1146 -4.7824 -4.7796 -4.4326 -4.4325 -4.2413 -4.2374 -0.0246 -0.0246 0.6381 0.6467 1.6968 1.7089 5.1071 5.1071 9.3062 9.3076 10.1703 10.1713 11.1024 11.1036 k = 0.3731-0.3327 0.3364 ( 3443 PWs) bands (ev): -47.8821 -47.8821 -22.5481 -22.5477 -19.9423 -19.9284 -19.7767 -19.7621 -19.7382 -19.7380 -17.8591 -17.8583 -8.1312 -8.1309 -4.7600 -4.7572 -4.4367 -4.4366 -4.2554 -4.2516 -0.0189 -0.0189 0.6778 0.6865 1.6955 1.7076 5.1129 5.1130 9.3579 9.3592 10.1109 10.1120 11.0718 11.0727 k = 0.3816-0.3403 0.3441 ( 3451 PWs) bands (ev): -47.8821 -47.8821 -22.5467 -22.5465 -19.9434 -19.9299 -19.7780 -19.7638 -19.7384 -19.7381 -17.8569 -17.8562 -8.1470 -8.1466 -4.7384 -4.7356 -4.4406 -4.4405 -4.2691 -4.2654 -0.0135 -0.0135 0.7180 0.7268 1.6928 1.7048 5.1184 5.1184 9.4104 9.4114 10.0548 10.0560 11.0429 11.0434 k = 0.3901-0.3478 0.3517 ( 3443 PWs) bands (ev): -47.8821 -47.8821 -22.5455 -22.5452 -19.9444 -19.9314 -19.7791 -19.7654 -19.7385 -19.7382 -17.8547 -17.8540 -8.1621 -8.1617 -4.7175 -4.7148 -4.4442 -4.4441 -4.2824 -4.2789 -0.0083 -0.0083 0.7587 0.7676 1.6886 1.7005 5.1234 5.1234 9.4634 9.4642 10.0023 10.0036 11.0155 11.0156 k = 0.3986-0.3554 0.3593 ( 3439 PWs) bands (ev): -47.8821 -47.8821 -22.5443 -22.5441 -19.9453 -19.9330 -19.7802 -19.7671 -19.7386 -19.7383 -17.8525 -17.8518 -8.1764 -8.1761 -4.6977 -4.6950 -4.4476 -4.4475 -4.2952 -4.2918 -0.0034 -0.0034 0.7994 0.8084 1.6830 1.6947 5.1279 5.1279 9.5169 9.5173 9.9538 9.9553 10.9891 10.9894 k = 0.4071-0.3630 0.3670 ( 3443 PWs) bands (ev): -47.8821 -47.8821 -22.5432 -22.5430 -19.9462 -19.9345 -19.7811 -19.7687 -19.7387 -19.7385 -17.8504 -17.8497 -8.1900 -8.1897 -4.6789 -4.6763 -4.4508 -4.4507 -4.3073 -4.3041 0.0011 0.0012 0.8399 0.8488 1.6760 1.6876 5.1320 5.1320 9.5702 9.5703 9.9100 9.9118 10.9637 10.9645 k = 0.4155-0.3705 0.3746 ( 3442 PWs) bands (ev): -47.8821 -47.8821 -22.5422 -22.5420 -19.9470 -19.9361 -19.7819 -19.7703 -19.7388 -19.7386 -17.8483 -17.8476 -8.2027 -8.2024 -4.6613 -4.6588 -4.4537 -4.4536 -4.3188 -4.3157 0.0054 0.0054 0.8798 0.8887 1.6678 1.6791 5.1357 5.1358 9.6214 9.6220 9.8726 9.8748 10.9388 10.9401 k = 0.4240-0.3781 0.3823 ( 3428 PWs) bands (ev): -47.8821 -47.8821 -22.5412 -22.5410 -19.9476 -19.9375 -19.7824 -19.7718 -19.7389 -19.7386 -17.8462 -17.8457 -8.2144 -8.2141 -4.6450 -4.6426 -4.4563 -4.4562 -4.3294 -4.3265 0.0094 0.0094 0.9187 0.9275 1.6584 1.6694 5.1391 5.1391 9.6667 9.6680 9.8457 9.8486 10.9139 10.9158 k = 0.4325-0.3857 0.3899 ( 3432 PWs) bands (ev): -47.8821 -47.8821 -22.5404 -22.5402 -19.9482 -19.9391 -19.7830 -19.7733 -19.7390 -19.7387 -17.8444 -17.8438 -8.2250 -8.2248 -4.6301 -4.6278 -4.4587 -4.4586 -4.3392 -4.3365 0.0129 0.0129 0.9563 0.9648 1.6481 1.6586 5.1420 5.1420 9.6958 9.6978 9.8402 9.8437 10.8879 10.8904 k = 0.4410-0.3932 0.3976 ( 3430 PWs) bands (ev): -47.8821 -47.8821 -22.5396 -22.5394 -19.9486 -19.9405 -19.7833 -19.7747 -19.7390 -19.7388 -17.8426 -17.8421 -8.2346 -8.2344 -4.6167 -4.6145 -4.4608 -4.4607 -4.3480 -4.3455 0.0161 0.0161 0.9920 1.0002 1.6372 1.6471 5.1446 5.1446 9.6992 9.7010 9.8662 9.8694 10.8591 10.8622 k = 0.4495-0.4008 0.4052 ( 3430 PWs) bands (ev): -47.8821 -47.8821 -22.5389 -22.5388 -19.9489 -19.9419 -19.7835 -19.7760 -19.7391 -19.7389 -17.8411 -17.8406 -8.2430 -8.2428 -4.6048 -4.6028 -4.4627 -4.4626 -4.3558 -4.3536 0.0189 0.0189 1.0253 1.0330 1.6259 1.6351 5.1468 5.1468 9.6866 9.6877 9.9134 9.9159 10.8252 10.8289 k = 0.4579-0.4083 0.4129 ( 3430 PWs) bands (ev): -47.8821 -47.8821 -22.5383 -22.5382 -19.9491 -19.9432 -19.7836 -19.7773 -19.7392 -19.7390 -17.8397 -17.8394 -8.2501 -8.2500 -4.5945 -4.5928 -4.4643 -4.4642 -4.3625 -4.3605 0.0213 0.0213 1.0557 1.0627 1.6148 1.6230 5.1486 5.1486 9.6698 9.6706 9.9689 9.9708 10.7839 10.7877 k = 0.4664-0.4159 0.4205 ( 3428 PWs) bands (ev): -47.8821 -47.8821 -22.5379 -22.5378 -19.9491 -19.9443 -19.7835 -19.7784 -19.7392 -19.7390 -17.8386 -17.8383 -8.2560 -8.2559 -4.5859 -4.5845 -4.4655 -4.4655 -4.3681 -4.3664 0.0232 0.0232 1.0824 1.0885 1.6044 1.6115 5.1501 5.1501 9.6540 9.6545 10.0266 10.0282 10.7348 10.7382 k = 0.4664-0.4159 0.4205 ( 3428 PWs) bands (ev): -47.8821 -47.8821 -22.5379 -22.5378 -19.9491 -19.9443 -19.7835 -19.7784 -19.7392 -19.7390 -17.8386 -17.8383 -8.2560 -8.2559 -4.5859 -4.5845 -4.4655 -4.4655 -4.3681 -4.3664 0.0232 0.0232 1.0824 1.0885 1.6044 1.6115 5.1501 5.1501 9.6540 9.6545 10.0266 10.0282 10.7348 10.7382 k = 0.4673-0.4035 0.4154 ( 3426 PWs) bands (ev): -47.8820 -47.8820 -22.5382 -22.5381 -19.9491 -19.9435 -19.7836 -19.7777 -19.7391 -19.7390 -17.8393 -17.8389 -8.2521 -8.2520 -4.5916 -4.5900 -4.4646 -4.4645 -4.3644 -4.3626 0.0219 0.0219 1.0648 1.0715 1.6112 1.6190 5.1490 5.1490 9.6607 9.6613 9.9888 9.9906 10.7713 10.7750 k = 0.4682-0.3910 0.4102 ( 3426 PWs) bands (ev): -47.8821 -47.8821 -22.5387 -22.5385 -19.9490 -19.9427 -19.7835 -19.7768 -19.7391 -19.7389 -17.8401 -17.8397 -8.2474 -8.2473 -4.5984 -4.5967 -4.4634 -4.4633 -4.3602 -4.3582 0.0201 0.0201 1.0451 1.0523 1.6181 1.6267 5.1473 5.1473 9.6611 9.6619 9.9529 9.9549 10.8112 10.8150 k = 0.4691-0.3785 0.4051 ( 3426 PWs) bands (ev): -47.8821 -47.8821 -22.5392 -22.5391 -19.9488 -19.9417 -19.7834 -19.7759 -19.7390 -19.7388 -17.8409 -17.8405 -8.2420 -8.2418 -4.6063 -4.6044 -4.4619 -4.4618 -4.3554 -4.3532 0.0180 0.0180 1.0237 1.0313 1.6251 1.6342 5.1452 5.1452 9.6556 9.6566 9.9190 9.9213 10.8557 10.8594 k = 0.4700-0.3661 0.4000 ( 3425 PWs) bands (ev): -47.8821 -47.8821 -22.5399 -22.5397 -19.9485 -19.9408 -19.7831 -19.7749 -19.7389 -19.7387 -17.8417 -17.8413 -8.2359 -8.2357 -4.6153 -4.6134 -4.4601 -4.4600 -4.3499 -4.3476 0.0154 0.0155 1.0008 1.0088 1.6318 1.6414 5.1425 5.1426 9.6450 9.6462 9.8871 9.8896 10.9054 10.9089 k = 0.4708-0.3536 0.3948 ( 3426 PWs) bands (ev): -47.8821 -47.8821 -22.5406 -22.5405 -19.9481 -19.9397 -19.7828 -19.7739 -19.7388 -19.7386 -17.8427 -17.8422 -8.2290 -8.2288 -4.6254 -4.6234 -4.4581 -4.4580 -4.3438 -4.3413 0.0126 0.0126 0.9768 0.9849 1.6381 1.6481 5.1394 5.1395 9.6303 9.6317 9.8569 9.8596 10.9605 10.9637 k = 0.4717-0.3412 0.3897 ( 3432 PWs) bands (ev): -47.8821 -47.8821 -22.5415 -22.5413 -19.9477 -19.9387 -19.7824 -19.7729 -19.7386 -19.7385 -17.8436 -17.8431 -8.2215 -8.2213 -4.6367 -4.6346 -4.4558 -4.4557 -4.3370 -4.3345 0.0093 0.0094 0.9517 0.9600 1.6439 1.6541 5.1359 5.1359 9.6124 9.6139 9.8283 9.8312 11.0207 11.0236 k = 0.4726-0.3287 0.3846 ( 3431 PWs) bands (ev): -47.8821 -47.8821 -22.5424 -22.5422 -19.9471 -19.9376 -19.7819 -19.7718 -19.7385 -19.7383 -17.8446 -17.8440 -8.2133 -8.2130 -4.6490 -4.6469 -4.4532 -4.4531 -4.3296 -4.3270 0.0058 0.0058 0.9258 0.9343 1.6490 1.6595 5.1320 5.1320 9.5920 9.5937 9.8013 9.8044 11.0856 11.0880 k = 0.4735-0.3163 0.3794 ( 3436 PWs) bands (ev): -47.8821 -47.8821 -22.5435 -22.5432 -19.9465 -19.9365 -19.7813 -19.7707 -19.7383 -19.7381 -17.8456 -17.8450 -8.2045 -8.2042 -4.6624 -4.6603 -4.4504 -4.4503 -4.3216 -4.3190 0.0020 0.0020 0.8994 0.9079 1.6534 1.6640 5.1277 5.1277 9.5700 9.5717 9.7759 9.7792 11.1544 11.1564 k = 0.4744-0.3038 0.3743 ( 3437 PWs) bands (ev): -47.8821 -47.8821 -22.5446 -22.5443 -19.9458 -19.9353 -19.7806 -19.7696 -19.7380 -19.7379 -17.8467 -17.8460 -8.1950 -8.1948 -4.6768 -4.6748 -4.4474 -4.4473 -4.3130 -4.3104 -0.0022 -0.0022 0.8725 0.8810 1.6571 1.6678 5.1230 5.1230 9.5466 9.5484 9.7525 9.7558 11.2263 11.2279 k = 0.4753-0.2913 0.3692 ( 3441 PWs) bands (ev): -47.8821 -47.8821 -22.5457 -22.5455 -19.9451 -19.9342 -19.7798 -19.7684 -19.7378 -19.7378 -17.8477 -17.8471 -8.1850 -8.1848 -4.6921 -4.6902 -4.4442 -4.4441 -4.3038 -4.3012 -0.0066 -0.0066 0.8455 0.8539 1.6599 1.6706 5.1180 5.1181 9.5222 9.5240 9.7311 9.7345 11.3007 11.3017 k = 0.4761-0.2789 0.3640 ( 3443 PWs) bands (ev): -47.8821 -47.8821 -22.5470 -22.5467 -19.9443 -19.9330 -19.7789 -19.7672 -19.7376 -19.7375 -17.8488 -17.8481 -8.1745 -8.1742 -4.7084 -4.7065 -4.4408 -4.4407 -4.2941 -4.2916 -0.0112 -0.0112 0.8183 0.8267 1.6618 1.6726 5.1128 5.1128 9.4970 9.4987 9.7122 9.7155 11.3768 11.3773 k = 0.4770-0.2664 0.3589 ( 3445 PWs) bands (ev): -47.8821 -47.8821 -22.5482 -22.5480 -19.9434 -19.9319 -19.7779 -19.7660 -19.7373 -19.7373 -17.8499 -17.8492 -8.1635 -8.1632 -4.7255 -4.7236 -4.4372 -4.4372 -4.2840 -4.2815 -0.0161 -0.0160 0.7912 0.7994 1.6630 1.6737 5.1073 5.1073 9.4711 9.4727 9.6957 9.6990 11.4541 11.4541 k = 0.4779-0.2540 0.3538 ( 3446 PWs) bands (ev): -47.8821 -47.8821 -22.5496 -22.5493 -19.9425 -19.9308 -19.7769 -19.7648 -19.7371 -19.7370 -17.8510 -17.8503 -8.1521 -8.1518 -4.7433 -4.7416 -4.4335 -4.4334 -4.2735 -4.2710 -0.0211 -0.0211 0.7642 0.7724 1.6633 1.6739 5.1016 5.1016 9.4447 9.4462 9.6817 9.6850 11.5314 11.5319 k = 0.4788-0.2415 0.3486 ( 3444 PWs) bands (ev): -47.8821 -47.8821 -22.5509 -22.5507 -19.9415 -19.9296 -19.7757 -19.7636 -19.7369 -19.7367 -17.8521 -17.8514 -8.1402 -8.1399 -4.7618 -4.7601 -4.4297 -4.4296 -4.2626 -4.2602 -0.0263 -0.0263 0.7376 0.7456 1.6629 1.6734 5.0957 5.0957 9.4181 9.4194 9.6703 9.6734 11.6089 11.6100 k = 0.4797-0.2291 0.3435 ( 3444 PWs) bands (ev): -47.8821 -47.8821 -22.5523 -22.5521 -19.9405 -19.9285 -19.7745 -19.7624 -19.7366 -19.7364 -17.8533 -17.8525 -8.1280 -8.1277 -4.7809 -4.7793 -4.4258 -4.4257 -4.2514 -4.2491 -0.0316 -0.0316 0.7113 0.7191 1.6617 1.6720 5.0896 5.0897 9.3913 9.3925 9.6614 9.6644 11.6863 11.6879 k = 0.4806-0.2166 0.3384 ( 3445 PWs) bands (ev): -47.8821 -47.8821 -22.5538 -22.5535 -19.9394 -19.9274 -19.7733 -19.7612 -19.7364 -19.7360 -17.8544 -17.8536 -8.1156 -8.1152 -4.8004 -4.7989 -4.4218 -4.4217 -4.2400 -4.2378 -0.0370 -0.0370 0.6856 0.6932 1.6597 1.6699 5.0835 5.0835 9.3646 9.3656 9.6548 9.6576 11.7633 11.7653 k = 0.4814-0.2041 0.3332 ( 3447 PWs) bands (ev): -47.8822 -47.8822 -22.5552 -22.5549 -19.9384 -19.9264 -19.7720 -19.7600 -19.7362 -19.7357 -17.8555 -17.8547 -8.1029 -8.1025 -4.8203 -4.8189 -4.4177 -4.4177 -4.2285 -4.2263 -0.0426 -0.0425 0.6605 0.6679 1.6572 1.6671 5.0774 5.0774 9.3381 9.3390 9.6504 9.6530 11.8398 11.8422 k = 0.4823-0.1917 0.3281 ( 3451 PWs) bands (ev): -47.8822 -47.8822 -22.5566 -22.5564 -19.9373 -19.9254 -19.7707 -19.7589 -19.7359 -19.7354 -17.8566 -17.8558 -8.0900 -8.0897 -4.8405 -4.8392 -4.4136 -4.4136 -4.2169 -4.2148 -0.0481 -0.0481 0.6360 0.6432 1.6540 1.6637 5.0712 5.0712 9.3121 9.3128 9.6480 9.6504 11.9155 11.9182 k = 0.4832-0.1792 0.3230 ( 3454 PWs) bands (ev): -47.8822 -47.8822 -22.5581 -22.5578 -19.9362 -19.9245 -19.7693 -19.7578 -19.7357 -19.7350 -17.8576 -17.8569 -8.0770 -8.0767 -4.8609 -4.8596 -4.4095 -4.4095 -4.2053 -4.2032 -0.0536 -0.0536 0.6124 0.6193 1.6504 1.6598 5.0650 5.0651 9.2867 9.2872 9.6473 9.6496 11.9903 11.9933 k = 0.4841-0.1668 0.3178 ( 3452 PWs) bands (ev): -47.8822 -47.8822 -22.5595 -22.5592 -19.9351 -19.9236 -19.7678 -19.7566 -19.7354 -19.7347 -17.8587 -17.8580 -8.0640 -8.0637 -4.8812 -4.8800 -4.4055 -4.4054 -4.1937 -4.1917 -0.0591 -0.0591 0.5895 0.5962 1.6463 1.6554 5.0589 5.0590 9.2621 9.2624 9.6482 9.6504 12.0641 12.0674 k = 0.4850-0.1543 0.3127 ( 3455 PWs) bands (ev): -47.8822 -47.8822 -22.5609 -22.5606 -19.9340 -19.9228 -19.7664 -19.7556 -19.7352 -19.7344 -17.8597 -17.8590 -8.0510 -8.0507 -4.9015 -4.9004 -4.4014 -4.4014 -4.1822 -4.1804 -0.0646 -0.0645 0.5676 0.5740 1.6419 1.6507 5.0530 5.0530 9.2382 9.2385 9.6505 9.6525 12.1367 12.1402 k = 0.4859-0.1419 0.3075 ( 3459 PWs) bands (ev): -47.8822 -47.8822 -22.5622 -22.5620 -19.9329 -19.9220 -19.7650 -19.7546 -19.7350 -19.7341 -17.8607 -17.8600 -8.0382 -8.0379 -4.9215 -4.9205 -4.3975 -4.3975 -4.1710 -4.1692 -0.0699 -0.0699 0.5467 0.5527 1.6372 1.6456 5.0471 5.0471 9.2154 9.2155 9.6541 9.6559 12.2081 12.2117 k = 0.4867-0.1294 0.3024 ( 3457 PWs) bands (ev): -47.8822 -47.8822 -22.5636 -22.5634 -19.9317 -19.9213 -19.7635 -19.7537 -19.7348 -19.7338 -17.8616 -17.8610 -8.0256 -8.0253 -4.9411 -4.9402 -4.3936 -4.3936 -4.1600 -4.1583 -0.0752 -0.0751 0.5268 0.5325 1.6323 1.6403 5.0414 5.0414 9.1936 9.1936 9.6586 9.6603 12.2780 12.2817 k = 0.4876-0.1169 0.2973 ( 3450 PWs) bands (ev): -47.8822 -47.8822 -22.5649 -22.5646 -19.9306 -19.9206 -19.7620 -19.7527 -19.7346 -19.7334 -17.8625 -17.8619 -8.0132 -8.0129 -4.9603 -4.9595 -4.3899 -4.3898 -4.1493 -4.1477 -0.0802 -0.0802 0.5080 0.5134 1.6273 1.6349 5.0360 5.0360 9.1729 9.1729 9.6639 9.6654 12.3462 12.3501 k = 0.4885-0.1045 0.2921 ( 3453 PWs) bands (ev): -47.8822 -47.8822 -22.5661 -22.5659 -19.9295 -19.9200 -19.7606 -19.7519 -19.7344 -19.7332 -17.8634 -17.8628 -8.0012 -8.0009 -4.9789 -4.9781 -4.3863 -4.3862 -4.1390 -4.1376 -0.0851 -0.0850 0.4903 0.4954 1.6222 1.6293 5.0307 5.0307 9.1533 9.1534 9.6698 9.6712 12.4126 12.4165 k = 0.4894-0.0920 0.2870 ( 3453 PWs) bands (ev): -47.8822 -47.8822 -22.5673 -22.5671 -19.9285 -19.9195 -19.7592 -19.7511 -19.7342 -19.7330 -17.8642 -17.8637 -7.9896 -7.9894 -4.9967 -4.9960 -4.3828 -4.3828 -4.1292 -4.1279 -0.0897 -0.0897 0.4738 0.4785 1.6171 1.6239 5.0257 5.0257 9.1350 9.1351 9.6762 9.6775 12.4770 12.4808 k = 0.4903-0.0796 0.2819 ( 3457 PWs) bands (ev): -47.8822 -47.8822 -22.5684 -22.5682 -19.9275 -19.9191 -19.7578 -19.7504 -19.7340 -19.7328 -17.8650 -17.8645 -7.9786 -7.9784 -5.0137 -5.0131 -4.3796 -4.3796 -4.1199 -4.1187 -0.0941 -0.0941 0.4585 0.4629 1.6122 1.6185 5.0210 5.0210 9.1181 9.1182 9.6828 9.6840 12.5390 12.5427 k = 0.4912-0.0671 0.2767 ( 3455 PWs) bands (ev): -47.8822 -47.8822 -22.5694 -22.5692 -19.9265 -19.9187 -19.7565 -19.7497 -19.7338 -19.7326 -17.8657 -17.8652 -7.9682 -7.9680 -5.0297 -5.0291 -4.3766 -4.3766 -4.1112 -4.1101 -0.0983 -0.0982 0.4444 0.4485 1.6075 1.6132 5.0167 5.0167 9.1025 9.1026 9.6895 9.6906 12.5984 12.6020 k = 0.4920-0.0547 0.2716 ( 3461 PWs) bands (ev): -47.8822 -47.8822 -22.5703 -22.5702 -19.9255 -19.9185 -19.7552 -19.7491 -19.7337 -19.7325 -17.8664 -17.8659 -7.9585 -7.9583 -5.0446 -5.0441 -4.3738 -4.3737 -4.1032 -4.1022 -0.1021 -0.1021 0.4316 0.4353 1.6030 1.6082 5.0126 5.0126 9.0882 9.0884 9.6961 9.6971 12.6547 12.6581 k = 0.4929-0.0422 0.2665 ( 3465 PWs) bands (ev): -47.8823 -47.8823 -22.5712 -22.5711 -19.9246 -19.9183 -19.7541 -19.7486 -19.7336 -19.7324 -17.8669 -17.8665 -7.9495 -7.9493 -5.0583 -5.0578 -4.3712 -4.3712 -4.0958 -4.0949 -0.1056 -0.1056 0.4202 0.4235 1.5988 1.6035 5.0089 5.0089 9.0754 9.0756 9.7025 9.7034 12.7075 12.7108 k = 0.4938-0.0298 0.2613 ( 3465 PWs) bands (ev): -47.8823 -47.8823 -22.5720 -22.5719 -19.9238 -19.9181 -19.7529 -19.7482 -19.7334 -19.7323 -17.8675 -17.8671 -7.9414 -7.9413 -5.0706 -5.0702 -4.3689 -4.3689 -4.0892 -4.0884 -0.1087 -0.1087 0.4100 0.4129 1.5950 1.5992 5.0057 5.0057 9.0641 9.0643 9.7086 9.7093 12.7564 12.7594 k = 0.4947-0.0173 0.2562 ( 3461 PWs) bands (ev): -47.8823 -47.8823 -22.5727 -22.5725 -19.9229 -19.9181 -19.7519 -19.7478 -19.7333 -19.7323 -17.8679 -17.8676 -7.9343 -7.9341 -5.0815 -5.0812 -4.3668 -4.3668 -4.0833 -4.0827 -0.1115 -0.1114 0.4012 0.4037 1.5917 1.5953 5.0028 5.0028 9.0542 9.0544 9.7141 9.7147 12.8008 12.8035 k = 0.4956-0.0048 0.2511 ( 3465 PWs) bands (ev): -47.8823 -47.8823 -22.5732 -22.5731 -19.9222 -19.9181 -19.7509 -19.7476 -19.7332 -19.7323 -17.8683 -17.8680 -7.9281 -7.9280 -5.0909 -5.0906 -4.3651 -4.3651 -4.0783 -4.0778 -0.1138 -0.1138 0.3938 0.3959 1.5888 1.5918 5.0003 5.0003 9.0459 9.0460 9.7189 9.7195 12.8401 12.8424 k = 0.4965 0.0076 0.2459 ( 3467 PWs) bands (ev): -47.8823 -47.8823 -22.5737 -22.5736 -19.9215 -19.9182 -19.7501 -19.7474 -19.7331 -19.7323 -17.8686 -17.8684 -7.9229 -7.9228 -5.0987 -5.0985 -4.3636 -4.3636 -4.0742 -4.0737 -0.1158 -0.1158 0.3877 0.3894 1.5865 1.5889 4.9983 4.9983 9.0390 9.0391 9.7231 9.7235 12.8735 12.8754 k = 0.4973 0.0201 0.2408 ( 3471 PWs) bands (ev): -47.8823 -47.8823 -22.5741 -22.5740 -19.9208 -19.9184 -19.7494 -19.7474 -19.7330 -19.7324 -17.8689 -17.8687 -7.9189 -7.9188 -5.1048 -5.1047 -4.3625 -4.3625 -4.0709 -4.0706 -0.1173 -0.1173 0.3830 0.3843 1.5847 1.5865 4.9967 4.9967 9.0336 9.0337 9.7264 9.7267 12.9005 12.9020 k = 0.4982 0.0325 0.2357 ( 3471 PWs) bands (ev): -47.8823 -47.8823 -22.5743 -22.5743 -19.9203 -19.9186 -19.7488 -19.7474 -19.7328 -19.7324 -17.8690 -17.8689 -7.9160 -7.9159 -5.1092 -5.1091 -4.3617 -4.3617 -4.0685 -4.0683 -0.1184 -0.1184 0.3797 0.3806 1.5835 1.5847 4.9955 4.9955 9.0298 9.0299 9.7289 9.7291 12.9204 12.9214 k = 0.4991 0.0450 0.2305 ( 3476 PWs) bands (ev): -47.8823 -47.8823 -22.5745 -22.5745 -19.9198 -19.9189 -19.7483 -19.7476 -19.7328 -19.7325 -17.8691 -17.8691 -7.9142 -7.9142 -5.1119 -5.1118 -4.3612 -4.3612 -4.0671 -4.0670 -0.1191 -0.1191 0.3778 0.3782 1.5829 1.5835 4.9948 4.9948 9.0275 9.0276 9.7304 9.7305 12.9326 12.9332 k = 0.5000 0.0574 0.2254 ( 3474 PWs) bands (ev): -47.8823 -47.8823 -22.5746 -22.5746 -19.9193 -19.9193 -19.7479 -19.7479 -19.7326 -19.7326 -17.8691 -17.8691 -7.9136 -7.9136 -5.1128 -5.1128 -4.3610 -4.3610 -4.0666 -4.0666 -0.1193 -0.1193 0.3773 0.3773 1.5829 1.5829 4.9946 4.9946 9.0268 9.0268 9.7309 9.7309 12.9370 12.9370 k = 0.5000 0.0574 0.2254 ( 3474 PWs) bands (ev): -47.8823 -47.8823 -22.5746 -22.5746 -19.9193 -19.9193 -19.7479 -19.7479 -19.7326 -19.7326 -17.8691 -17.8691 -7.9136 -7.9136 -5.1128 -5.1128 -4.3610 -4.3610 -4.0666 -4.0666 -0.1193 -0.1193 0.3773 0.3773 1.5829 1.5829 4.9946 4.9946 9.0268 9.0268 9.7309 9.7309 12.9370 12.9370 k = 0.4943 0.0625 0.2367 ( 3478 PWs) bands (ev): -47.8823 -47.8823 -22.5745 -22.5745 -19.9196 -19.9192 -19.7481 -19.7478 -19.7330 -19.7323 -17.8691 -17.8690 -7.9135 -7.9135 -5.1127 -5.1126 -4.3618 -4.3616 -4.0667 -4.0667 -0.1202 -0.1199 0.3775 0.3778 1.5830 1.5831 4.9938 4.9940 9.0283 9.0284 9.7325 9.7326 12.9376 12.9379 k = 0.4886 0.0676 0.2480 ( 3476 PWs) bands (ev): -47.8823 -47.8823 -22.5743 -22.5743 -19.9198 -19.9190 -19.7483 -19.7477 -19.7334 -19.7321 -17.8688 -17.8687 -7.9133 -7.9133 -5.1124 -5.1122 -4.3637 -4.3633 -4.0671 -4.0670 -0.1225 -0.1219 0.3783 0.3789 1.5836 1.5837 4.9916 4.9920 9.0330 9.0332 9.7374 9.7376 12.9399 12.9403 k = 0.4830 0.0726 0.2593 ( 3474 PWs) bands (ev): -47.8823 -47.8823 -22.5741 -22.5741 -19.9202 -19.9189 -19.7486 -19.7477 -19.7339 -19.7319 -17.8684 -17.8682 -7.9130 -7.9130 -5.1118 -5.1115 -4.3668 -4.3663 -4.0676 -4.0674 -0.1262 -0.1252 0.3798 0.3807 1.5845 1.5846 4.9880 4.9886 9.0408 9.0412 9.7457 9.7459 12.9437 12.9444 k = 0.4773 0.0777 0.2706 ( 3466 PWs) bands (ev): -47.8823 -47.8823 -22.5737 -22.5737 -19.9205 -19.9189 -19.7490 -19.7477 -19.7344 -19.7317 -17.8678 -17.8676 -7.9125 -7.9125 -5.1110 -5.1106 -4.3712 -4.3704 -4.0684 -4.0681 -0.1313 -0.1300 0.3819 0.3831 1.5858 1.5860 4.9831 4.9838 9.0517 9.0522 9.7571 9.7575 12.9491 12.9500 k = 0.4716 0.0828 0.2820 ( 3470 PWs) bands (ev): -47.8822 -47.8822 -22.5732 -22.5732 -19.9210 -19.9190 -19.7494 -19.7478 -19.7350 -19.7317 -17.8670 -17.8668 -7.9119 -7.9119 -5.1099 -5.1095 -4.3767 -4.3758 -4.0693 -4.0691 -0.1377 -0.1361 0.3846 0.3860 1.5875 1.5877 4.9768 4.9777 9.0657 9.0663 9.7719 9.7723 12.9559 12.9571 k = 0.4659 0.0878 0.2933 ( 3464 PWs) bands (ev): -47.8822 -47.8822 -22.5726 -22.5726 -19.9215 -19.9190 -19.7499 -19.7480 -19.7355 -19.7317 -17.8661 -17.8658 -7.9112 -7.9112 -5.1087 -5.1082 -4.3832 -4.3821 -4.0705 -4.0702 -0.1454 -0.1435 0.3879 0.3895 1.5895 1.5898 4.9693 4.9703 9.0828 9.0835 9.7898 9.7903 12.9642 12.9656 k = 0.4602 0.0929 0.3046 ( 3462 PWs) bands (ev): -47.8822 -47.8822 -22.5720 -22.5720 -19.9220 -19.9192 -19.7505 -19.7483 -19.7361 -19.7317 -17.8650 -17.8646 -7.9104 -7.9103 -5.1072 -5.1066 -4.3908 -4.3896 -4.0719 -4.0715 -0.1542 -0.1522 0.3917 0.3935 1.5918 1.5921 4.9605 4.9617 9.1027 9.1035 9.8109 9.8115 12.9738 12.9754 k = 0.4545 0.0980 0.3159 ( 3460 PWs) bands (ev): -47.8822 -47.8822 -22.5712 -22.5712 -19.9226 -19.9194 -19.7511 -19.7487 -19.7366 -19.7318 -17.8637 -17.8633 -7.9094 -7.9093 -5.1056 -5.1049 -4.3994 -4.3980 -4.0735 -4.0730 -0.1643 -0.1620 0.3960 0.3980 1.5945 1.5949 4.9505 4.9519 9.1256 9.1265 9.8350 9.8357 12.9846 12.9865 k = 0.4489 0.1030 0.3272 ( 3462 PWs) bands (ev): -47.8822 -47.8822 -22.5704 -22.5704 -19.9232 -19.9197 -19.7518 -19.7491 -19.7372 -19.7320 -17.8623 -17.8619 -7.9083 -7.9082 -5.1039 -5.1030 -4.4089 -4.4073 -4.0753 -4.0748 -0.1754 -0.1730 0.4007 0.4030 1.5975 1.5979 4.9393 4.9409 9.1512 9.1522 9.8622 9.8629 12.9966 12.9987 k = 0.4432 0.1081 0.3385 ( 3460 PWs) bands (ev): -47.8821 -47.8821 -22.5694 -22.5694 -19.9239 -19.9200 -19.7526 -19.7497 -19.7377 -19.7321 -17.8608 -17.8603 -7.9071 -7.9070 -5.1020 -5.1011 -4.4192 -4.4174 -4.0773 -4.0768 -0.1875 -0.1849 0.4059 0.4083 1.6007 1.6011 4.9271 4.9288 9.1796 9.1807 9.8922 9.8931 13.0096 13.0119 k = 0.4375 0.1132 0.3498 ( 3464 PWs) bands (ev): -47.8821 -47.8821 -22.5684 -22.5684 -19.9246 -19.9204 -19.7535 -19.7504 -19.7382 -19.7324 -17.8591 -17.8585 -7.9058 -7.9058 -5.1000 -5.0990 -4.4303 -4.4283 -4.0796 -4.0789 -0.2005 -0.1978 0.4115 0.4140 1.6042 1.6047 4.9139 4.9158 9.2105 9.2117 9.9251 9.9261 13.0233 13.0259 k = 0.4318 0.1182 0.3611 ( 3462 PWs) bands (ev): -47.8821 -47.8821 -22.5673 -22.5673 -19.9254 -19.9208 -19.7545 -19.7511 -19.7385 -19.7326 -17.8573 -17.8567 -7.9045 -7.9044 -5.0980 -5.0968 -4.4419 -4.4397 -4.0820 -4.0813 -0.2144 -0.2115 0.4174 0.4200 1.6080 1.6085 4.8998 4.9018 9.2440 9.2453 9.9608 9.9618 13.0375 13.0404 k = 0.4261 0.1233 0.3725 ( 3458 PWs) bands (ev): -47.8820 -47.8820 -22.5661 -22.5661 -19.9261 -19.9212 -19.7555 -19.7519 -19.7389 -19.7329 -17.8554 -17.8547 -7.9030 -7.9029 -5.0959 -5.0947 -4.4541 -4.4517 -4.0846 -4.0839 -0.2290 -0.2260 0.4236 0.4262 1.6119 1.6125 4.8849 4.8871 9.2799 9.2812 9.9990 10.0001 13.0520 13.0550 k = 0.4205 0.1284 0.3838 ( 3458 PWs) bands (ev): -47.8820 -47.8820 -22.5649 -22.5649 -19.9270 -19.9218 -19.7567 -19.7528 -19.7392 -19.7331 -17.8533 -17.8527 -7.9014 -7.9013 -5.0939 -5.0925 -4.4667 -4.4641 -4.0874 -4.0866 -0.2443 -0.2412 0.4300 0.4327 1.6161 1.6167 4.8693 4.8716 9.3181 9.3195 10.0397 10.0409 13.0662 13.0695 k = 0.4148 0.1334 0.3951 ( 3460 PWs) bands (ev): -47.8820 -47.8820 -22.5636 -22.5636 -19.9278 -19.9224 -19.7579 -19.7537 -19.7394 -19.7334 -17.8512 -17.8505 -7.8998 -7.8997 -5.0919 -5.0904 -4.4795 -4.4768 -4.0905 -4.0896 -0.2601 -0.2570 0.4367 0.4394 1.6204 1.6210 4.8529 4.8554 9.3584 9.3599 10.0828 10.0840 13.0795 13.0831 k = 0.4091 0.1385 0.4064 ( 3460 PWs) bands (ev): -47.8819 -47.8819 -22.5622 -22.5622 -19.9287 -19.9230 -19.7592 -19.7547 -19.7397 -19.7337 -17.8490 -17.8483 -7.8981 -7.8980 -5.0900 -5.0884 -4.4925 -4.4896 -4.0937 -4.0928 -0.2765 -0.2733 0.4435 0.4463 1.6249 1.6255 4.8361 4.8386 9.4009 9.4024 10.1281 10.1293 13.0913 13.0951 k = 0.4034 0.1436 0.4177 ( 3458 PWs) bands (ev): -47.8819 -47.8819 -22.5609 -22.5609 -19.9296 -19.9236 -19.7605 -19.7558 -19.7398 -19.7340 -17.8467 -17.8460 -7.8963 -7.8962 -5.0883 -5.0865 -4.5055 -4.5024 -4.0971 -4.0961 -0.2932 -0.2901 0.4505 0.4532 1.6295 1.6301 4.8187 4.8214 9.4453 9.4469 10.1754 10.1767 13.1004 13.1044 k = 0.3977 0.1486 0.4290 ( 3464 PWs) bands (ev): -47.8819 -47.8819 -22.5594 -22.5594 -19.9306 -19.9244 -19.7620 -19.7569 -19.7400 -19.7343 -17.8444 -17.8436 -7.8946 -7.8944 -5.0868 -5.0849 -4.5185 -4.5152 -4.1007 -4.0996 -0.3103 -0.3071 0.4576 0.4603 1.6342 1.6348 4.8010 4.8038 9.4916 9.4933 10.2246 10.2260 13.1052 13.1093 k = 0.3920 0.1537 0.4403 ( 3462 PWs) bands (ev): -47.8818 -47.8818 -22.5580 -22.5580 -19.9315 -19.9251 -19.7634 -19.7580 -19.7401 -19.7346 -17.8420 -17.8412 -7.8927 -7.8925 -5.0855 -5.0835 -4.5312 -4.5277 -4.1044 -4.1033 -0.3275 -0.3244 0.4647 0.4674 1.6389 1.6396 4.7830 4.7859 9.5397 9.5414 10.2755 10.2769 13.1036 13.1077 k = 0.3864 0.1588 0.4517 ( 3460 PWs) bands (ev): -47.8818 -47.8818 -22.5565 -22.5565 -19.9325 -19.9259 -19.7649 -19.7591 -19.7402 -19.7348 -17.8396 -17.8388 -7.8908 -7.8907 -5.0846 -5.0825 -4.5436 -4.5400 -4.1083 -4.1071 -0.3449 -0.3418 0.4719 0.4745 1.6437 1.6444 4.7648 4.7679 9.5895 9.5912 10.3279 10.3294 13.0931 13.0970 k = 0.3807 0.1638 0.4630 ( 3458 PWs) bands (ev): -47.8817 -47.8817 -22.5550 -22.5550 -19.9335 -19.9267 -19.7663 -19.7602 -19.7403 -19.7351 -17.8371 -17.8363 -7.8889 -7.8888 -5.0840 -5.0817 -4.5555 -4.5517 -4.1123 -4.1111 -0.3624 -0.3592 0.4791 0.4816 1.6485 1.6492 4.7465 4.7497 9.6408 9.6425 10.3816 10.3832 13.0712 13.0747 k = 0.3750 0.1689 0.4743 ( 3460 PWs) bands (ev): -47.8817 -47.8817 -22.5535 -22.5535 -19.9345 -19.9275 -19.7678 -19.7613 -19.7404 -19.7354 -17.8347 -17.8338 -7.8870 -7.8869 -5.0838 -5.0814 -4.5669 -4.5629 -4.1165 -4.1153 -0.3798 -0.3767 0.4862 0.4887 1.6533 1.6539 4.7282 4.7315 9.6935 9.6954 10.4364 10.4381 13.0367 13.0396 k = 0.3693 0.1740 0.4856 ( 3460 PWs) bands (ev): -47.8817 -47.8817 -22.5519 -22.5519 -19.9355 -19.9284 -19.7693 -19.7625 -19.7405 -19.7356 -17.8322 -17.8314 -7.8851 -7.8850 -5.0840 -5.0815 -4.5776 -4.5735 -4.1208 -4.1195 -0.3971 -0.3940 0.4932 0.4957 1.6580 1.6587 4.7100 4.7134 9.7477 9.7496 10.4921 10.4939 12.9901 12.9924 k = 0.3636 0.1790 0.4969 ( 3460 PWs) bands (ev): -47.8816 -47.8816 -22.5504 -22.5504 -19.9364 -19.9292 -19.7708 -19.7636 -19.7405 -19.7359 -17.8298 -17.8289 -7.8833 -7.8831 -5.0847 -5.0821 -4.5875 -4.5833 -4.1252 -4.1239 -0.4141 -0.4111 0.5002 0.5026 1.6627 1.6634 4.6920 4.6954 9.8031 9.8051 10.5485 10.5504 12.9336 12.9353 k = 0.3580 0.1841 0.5082 ( 3458 PWs) bands (ev): -47.8816 -47.8816 -22.5489 -22.5489 -19.9374 -19.9301 -19.7722 -19.7647 -19.7406 -19.7361 -17.8274 -17.8265 -7.8814 -7.8812 -5.0859 -5.0832 -4.5966 -4.5923 -4.1297 -4.1283 -0.4309 -0.4279 0.5070 0.5093 1.6673 1.6680 4.6743 4.6778 9.8598 9.8618 10.6054 10.6073 12.8696 12.8708 k = 0.3523 0.1892 0.5195 ( 3458 PWs) bands (ev): -47.8815 -47.8815 -22.5475 -22.5475 -19.9384 -19.9310 -19.7736 -19.7658 -19.7406 -19.7363 -17.8250 -17.8241 -7.8795 -7.8793 -5.0875 -5.0848 -4.6048 -4.6004 -4.1343 -4.1328 -0.4473 -0.4444 0.5136 0.5159 1.6718 1.6724 4.6569 4.6605 9.9175 9.9195 10.6624 10.6644 12.8001 12.8010 k = 0.3466 0.1942 0.5308 ( 3466 PWs) bands (ev): -47.8815 -47.8815 -22.5460 -22.5460 -19.9394 -19.9319 -19.7750 -19.7670 -19.7406 -19.7366 -17.8227 -17.8218 -7.8777 -7.8775 -5.0897 -5.0868 -4.6122 -4.6077 -4.1389 -4.1374 -0.4633 -0.4604 0.5201 0.5222 1.6762 1.6768 4.6399 4.6436 9.9762 9.9783 10.7194 10.7215 12.7270 12.7276 k = 0.3409 0.1993 0.5422 ( 3466 PWs) bands (ev): -47.8815 -47.8815 -22.5446 -22.5446 -19.9403 -19.9328 -19.7763 -19.7680 -19.7407 -19.7368 -17.8204 -17.8196 -7.8760 -7.8757 -5.0923 -5.0894 -4.6186 -4.6140 -4.1435 -4.1420 -0.4788 -0.4759 0.5264 0.5284 1.6804 1.6810 4.6234 4.6272 10.0358 10.0380 10.7761 10.7783 12.6512 12.6518 k = 0.3352 0.2044 0.5535 ( 3462 PWs) bands (ev): -47.8814 -47.8814 -22.5433 -22.5433 -19.9412 -19.9336 -19.7775 -19.7690 -19.7407 -19.7370 -17.8183 -17.8174 -7.8743 -7.8740 -5.0952 -5.0923 -4.6240 -4.6195 -4.1481 -4.1465 -0.4937 -0.4909 0.5324 0.5343 1.6845 1.6851 4.6076 4.6115 10.0962 10.0984 10.8322 10.8345 12.5738 12.5743 k = 0.3295 0.2094 0.5648 ( 3464 PWs) bands (ev): -47.8814 -47.8814 -22.5420 -22.5420 -19.9420 -19.9345 -19.7787 -19.7700 -19.7407 -19.7371 -17.8162 -17.8153 -7.8726 -7.8724 -5.0985 -5.0956 -4.6286 -4.6241 -4.1526 -4.1510 -0.5080 -0.5052 0.5381 0.5400 1.6884 1.6889 4.5925 4.5964 10.1572 10.1595 10.8875 10.8899 12.4953 12.4959 k = 0.3239 0.2145 0.5761 ( 3464 PWs) bands (ev): -47.8814 -47.8814 -22.5407 -22.5407 -19.9429 -19.9353 -19.7799 -19.7709 -19.7407 -19.7373 -17.8142 -17.8133 -7.8710 -7.8708 -5.1021 -5.0992 -4.6324 -4.6278 -4.1571 -4.1555 -0.5215 -0.5188 0.5436 0.5454 1.6921 1.6926 4.5780 4.5820 10.2187 10.2211 10.9417 10.9443 12.4164 12.4170 k = 0.3182 0.2196 0.5874 ( 3466 PWs) bands (ev): -47.8813 -47.8813 -22.5395 -22.5395 -19.9437 -19.9361 -19.7809 -19.7718 -19.7407 -19.7375 -17.8123 -17.8114 -7.8696 -7.8693 -5.1059 -5.1029 -4.6354 -4.6308 -4.1615 -4.1598 -0.5343 -0.5316 0.5487 0.5504 1.6955 1.6961 4.5644 4.5684 10.2805 10.2829 10.9945 10.9972 12.3374 12.3382 k = 0.3125 0.2246 0.5987 ( 3468 PWs) bands (ev): -47.8813 -47.8813 -22.5384 -22.5384 -19.9444 -19.9368 -19.7819 -19.7726 -19.7407 -19.7377 -17.8105 -17.8096 -7.8682 -7.8679 -5.1098 -5.1069 -4.6376 -4.6332 -4.1657 -4.1640 -0.5463 -0.5436 0.5535 0.5551 1.6988 1.6993 4.5516 4.5557 10.3424 10.3449 11.0456 11.0484 12.2589 12.2596 k = 0.3068 0.2297 0.6100 ( 3470 PWs) bands (ev): -47.8813 -47.8813 -22.5374 -22.5374 -19.9451 -19.9375 -19.7828 -19.7734 -19.7407 -19.7378 -17.8089 -17.8080 -7.8669 -7.8666 -5.1138 -5.1108 -4.6393 -4.6349 -4.1697 -4.1681 -0.5574 -0.5547 0.5580 0.5595 1.7018 1.7023 4.5398 4.5439 10.4041 10.4067 11.0948 11.0977 12.1811 12.1819 k = 0.3011 0.2348 0.6213 ( 3470 PWs) bands (ev): -47.8812 -47.8812 -22.5364 -22.5364 -19.9457 -19.9382 -19.7837 -19.7741 -19.7407 -19.7380 -17.8073 -17.8065 -7.8657 -7.8654 -5.1176 -5.1147 -4.6405 -4.6361 -4.1735 -4.1718 -0.5675 -0.5649 0.5621 0.5635 1.7046 1.7050 4.5289 4.5331 10.4652 10.4680 11.1416 11.1447 12.1044 12.1052 k = 0.2955 0.2398 0.6327 ( 3468 PWs) bands (ev): -47.8812 -47.8812 -22.5355 -22.5355 -19.9463 -19.9388 -19.7844 -19.7747 -19.7407 -19.7381 -17.8060 -17.8051 -7.8646 -7.8643 -5.1213 -5.1185 -4.6411 -4.6369 -4.1771 -4.1754 -0.5767 -0.5742 0.5658 0.5671 1.7071 1.7075 4.5190 4.5232 10.5254 10.5282 11.1860 11.1892 12.0293 12.0302 k = 0.2898 0.2449 0.6440 ( 3470 PWs) bands (ev): -47.8812 -47.8812 -22.5348 -22.5348 -19.9468 -19.9394 -19.7851 -19.7753 -19.7407 -19.7382 -17.8047 -17.8039 -7.8636 -7.8633 -5.1248 -5.1220 -4.6415 -4.6373 -4.1803 -4.1786 -0.5850 -0.5824 0.5691 0.5703 1.7094 1.7097 4.5102 4.5144 10.5839 10.5869 11.2276 11.2310 11.9563 11.9572 k = 0.2841 0.2500 0.6553 ( 3468 PWs) bands (ev): -47.8812 -47.8812 -22.5341 -22.5341 -19.9473 -19.9398 -19.7857 -19.7758 -19.7406 -19.7383 -17.8036 -17.8028 -7.8627 -7.8625 -5.1280 -5.1252 -4.6416 -4.6375 -4.1832 -4.1815 -0.5922 -0.5897 0.5721 0.5732 1.7113 1.7116 4.5025 4.5067 10.6399 10.6431 11.2663 11.2699 11.8860 11.8871 k = 0.2784 0.2550 0.6666 ( 3474 PWs) bands (ev): -47.8812 -47.8812 -22.5335 -22.5335 -19.9477 -19.9403 -19.7862 -19.7762 -19.7406 -19.7384 -17.8027 -17.8019 -7.8620 -7.8617 -5.1308 -5.1281 -4.6416 -4.6376 -4.1857 -4.1840 -0.5984 -0.5958 0.5745 0.5756 1.7130 1.7132 4.4959 4.5002 10.6923 10.6957 11.3020 11.3059 11.8192 11.8205 k = 0.2727 0.2601 0.6779 ( 3476 PWs) bands (ev): -47.8812 -47.8812 -22.5330 -22.5330 -19.9480 -19.9406 -19.7866 -19.7766 -19.7406 -19.7385 -17.8019 -17.8011 -7.8614 -7.8611 -5.1332 -5.1305 -4.6415 -4.6375 -4.1878 -4.1861 -0.6034 -0.6009 0.5766 0.5775 1.7144 1.7146 4.4905 4.4948 10.7397 10.7432 11.3347 11.3389 11.7571 11.7587 k = 0.2670 0.2652 0.6892 ( 3480 PWs) bands (ev): -47.8812 -47.8812 -22.5326 -22.5326 -19.9483 -19.9409 -19.7869 -19.7769 -19.7406 -19.7386 -17.8013 -17.8005 -7.8609 -7.8607 -5.1351 -5.1324 -4.6413 -4.6374 -4.1895 -4.1878 -0.6074 -0.6049 0.5782 0.5791 1.7155 1.7156 4.4862 4.4905 10.7802 10.7838 11.3642 11.3689 11.7012 11.7033 k = 0.2614 0.2702 0.7005 ( 3478 PWs) bands (ev): -47.8811 -47.8811 -22.5324 -22.5324 -19.9485 -19.9411 -19.7872 -19.7771 -19.7406 -19.7386 -17.8009 -17.8001 -7.8606 -7.8603 -5.1365 -5.1338 -4.6411 -4.6372 -4.1907 -4.1890 -0.6103 -0.6078 0.5793 0.5802 1.7163 1.7164 4.4831 4.4875 10.8115 10.8153 11.3898 11.3951 11.6542 11.6570 k = 0.2557 0.2753 0.7119 ( 3482 PWs) bands (ev): -47.8811 -47.8811 -22.5322 -22.5322 -19.9486 -19.9413 -19.7873 -19.7772 -19.7406 -19.7386 -17.8007 -17.7998 -7.8604 -7.8601 -5.1374 -5.1347 -4.6410 -4.6371 -4.1914 -4.1897 -0.6120 -0.6095 0.5800 0.5808 1.7168 1.7168 4.4813 4.4856 10.8315 10.8354 11.4089 11.4150 11.6208 11.6245 k = 0.2500 0.2804 0.7232 ( 3480 PWs) bands (ev): -47.8811 -47.8811 -22.5322 -22.5321 -19.9487 -19.9413 -19.7874 -19.7773 -19.7406 -19.7386 -17.8006 -17.7998 -7.8603 -7.8600 -5.1377 -5.1350 -4.6410 -4.6371 -4.1917 -4.1900 -0.6125 -0.6101 0.5803 0.5811 1.7169 1.7169 4.4807 4.4851 10.8384 10.8423 11.4164 11.4230 11.6082 11.6123 k = 0.3144-0.2804 0.7232 ( 3445 PWs) bands (ev): -47.8814 -47.8814 -22.5329 -22.5326 -19.9401 -19.9350 -19.7721 -19.7689 -19.7477 -19.7399 -17.8313 -17.8312 -8.1214 -8.1208 -4.8333 -4.8305 -4.6082 -4.6074 -4.2844 -4.2805 -0.3223 -0.3202 1.0302 1.0342 1.6207 1.6246 4.6426 4.6437 10.6371 10.6400 10.8092 10.8110 11.3207 11.3221 k = 0.3201-0.2854 0.7120 ( 3443 PWs) bands (ev): -47.8814 -47.8814 -22.5329 -22.5326 -19.9405 -19.9355 -19.7727 -19.7694 -19.7475 -19.7399 -17.8319 -17.8318 -8.1295 -8.1289 -4.8158 -4.8130 -4.6060 -4.6052 -4.2890 -4.2852 -0.3049 -0.3028 1.0347 1.0388 1.6206 1.6247 4.6685 4.6696 10.6097 10.6123 10.7633 10.7650 11.2944 11.2957 k = 0.3257-0.2904 0.7007 ( 3445 PWs) bands (ev): -47.8814 -47.8814 -22.5330 -22.5327 -19.9409 -19.9360 -19.7734 -19.7700 -19.7474 -19.7398 -17.8325 -17.8324 -8.1376 -8.1370 -4.7979 -4.7951 -4.6039 -4.6031 -4.2936 -4.2898 -0.2873 -0.2851 1.0390 1.0433 1.6205 1.6247 4.6947 4.6957 10.5761 10.5783 10.7189 10.7206 11.2685 11.2697 k = 0.3313-0.2954 0.6895 ( 3447 PWs) bands (ev): -47.8815 -47.8815 -22.5331 -22.5328 -19.9413 -19.9365 -19.7741 -19.7705 -19.7471 -19.7397 -17.8330 -17.8329 -8.1455 -8.1450 -4.7796 -4.7769 -4.6020 -4.6011 -4.2982 -4.2945 -0.2694 -0.2672 1.0430 1.0474 1.6201 1.6246 4.7211 4.7221 10.5371 10.5389 10.6757 10.6774 11.2430 11.2440 k = 0.3369-0.3004 0.6783 ( 3459 PWs) bands (ev): -47.8815 -47.8815 -22.5333 -22.5330 -19.9418 -19.9371 -19.7748 -19.7711 -19.7470 -19.7397 -17.8335 -17.8334 -8.1534 -8.1528 -4.7611 -4.7585 -4.6002 -4.5992 -4.3028 -4.2992 -0.2514 -0.2492 1.0468 1.0514 1.6197 1.6243 4.7477 4.7487 10.4940 10.4956 10.6332 10.6349 11.2179 11.2188 k = 0.3426-0.3055 0.6671 ( 3459 PWs) bands (ev): -47.8816 -47.8816 -22.5335 -22.5332 -19.9422 -19.9376 -19.7754 -19.7717 -19.7467 -19.7396 -17.8340 -17.8339 -8.1611 -8.1605 -4.7424 -4.7399 -4.5984 -4.5974 -4.3074 -4.3039 -0.2333 -0.2312 1.0504 1.0551 1.6191 1.6239 4.7743 4.7753 10.4478 10.4493 10.5908 10.5926 11.1934 11.1941 k = 0.3482-0.3105 0.6559 ( 3462 PWs) bands (ev): -47.8816 -47.8816 -22.5337 -22.5334 -19.9427 -19.9381 -19.7760 -19.7722 -19.7464 -19.7395 -17.8345 -17.8343 -8.1686 -8.1680 -4.7237 -4.7212 -4.5967 -4.5957 -4.3119 -4.3085 -0.2152 -0.2131 1.0538 1.0586 1.6185 1.6235 4.8009 4.8018 10.3995 10.4009 10.5485 10.5503 11.1692 11.1699 k = 0.3538-0.3155 0.6447 ( 3459 PWs) bands (ev): -47.8816 -47.8816 -22.5339 -22.5336 -19.9431 -19.9386 -19.7766 -19.7728 -19.7460 -19.7394 -17.8349 -17.8347 -8.1759 -8.1754 -4.7050 -4.7026 -4.5951 -4.5940 -4.3164 -4.3130 -0.1973 -0.1952 1.0570 1.0618 1.6178 1.6229 4.8274 4.8282 10.3496 10.3510 10.5064 10.5082 11.1452 11.1461 k = 0.3595-0.3205 0.6335 ( 3462 PWs) bands (ev): -47.8817 -47.8817 -22.5341 -22.5339 -19.9436 -19.9391 -19.7773 -19.7733 -19.7457 -19.7393 -17.8353 -17.8351 -8.1830 -8.1825 -4.6865 -4.6842 -4.5935 -4.5923 -4.3208 -4.3175 -0.1795 -0.1774 1.0599 1.0649 1.6170 1.6223 4.8535 4.8543 10.2988 10.3002 10.4648 10.4665 11.1212 11.1224 k = 0.3651-0.3255 0.6223 ( 3452 PWs) bands (ev): -47.8817 -47.8817 -22.5344 -22.5341 -19.9440 -19.9395 -19.7778 -19.7737 -19.7453 -19.7392 -17.8356 -17.8354 -8.1899 -8.1894 -4.6683 -4.6661 -4.5919 -4.5906 -4.3250 -4.3218 -0.1619 -0.1599 1.0626 1.0677 1.6161 1.6216 4.8792 4.8800 10.2475 10.2487 10.4240 10.4255 11.0968 11.0984 k = 0.3707-0.3306 0.6111 ( 3454 PWs) bands (ev): -47.8817 -47.8817 -22.5347 -22.5344 -19.9445 -19.9400 -19.7784 -19.7742 -19.7449 -19.7391 -17.8360 -17.8358 -8.1966 -8.1961 -4.6506 -4.6486 -4.5902 -4.5888 -4.3292 -4.3260 -0.1447 -0.1428 1.0651 1.0703 1.6152 1.6209 4.9044 4.9052 10.1960 10.1972 10.3843 10.3857 11.0716 11.0738 k = 0.3764-0.3356 0.5999 ( 3449 PWs) bands (ev): -47.8818 -47.8818 -22.5350 -22.5347 -19.9449 -19.9404 -19.7789 -19.7747 -19.7445 -19.7390 -17.8363 -17.8361 -8.2029 -8.2025 -4.6337 -4.6319 -4.5882 -4.5867 -4.3332 -4.3301 -0.1279 -0.1260 1.0674 1.0727 1.6143 1.6201 4.9290 4.9297 10.1447 10.1458 10.3460 10.3472 11.0453 11.0480 k = 0.3820-0.3406 0.5887 ( 3445 PWs) bands (ev): -47.8818 -47.8818 -22.5352 -22.5350 -19.9453 -19.9408 -19.7794 -19.7751 -19.7441 -19.7389 -17.8366 -17.8364 -8.2090 -8.2086 -4.6181 -4.6168 -4.5853 -4.5836 -4.3371 -4.3341 -0.1116 -0.1098 1.0695 1.0749 1.6134 1.6193 4.9528 4.9535 10.0941 10.0951 10.3093 10.3105 11.0179 11.0211 k = 0.3876-0.3456 0.5774 ( 3443 PWs) bands (ev): -47.8818 -47.8818 -22.5355 -22.5353 -19.9457 -19.9412 -19.7799 -19.7755 -19.7437 -19.7388 -17.8369 -17.8366 -8.2148 -8.2144 -4.6053 -4.6046 -4.5803 -4.5783 -4.3408 -4.3378 -0.0959 -0.0942 1.0714 1.0769 1.6125 1.6185 4.9758 4.9764 10.0446 10.0455 10.2745 10.2755 10.9895 10.9930 k = 0.3932-0.3506 0.5662 ( 3443 PWs) bands (ev): -47.8819 -47.8819 -22.5358 -22.5356 -19.9462 -19.9416 -19.7804 -19.7759 -19.7433 -19.7387 -17.8371 -17.8369 -8.2203 -8.2198 -4.5972 -4.5970 -4.5714 -4.5692 -4.3444 -4.3414 -0.0809 -0.0793 1.0731 1.0787 1.6115 1.6177 4.9978 4.9983 9.9966 9.9974 10.2416 10.2426 10.9606 10.9642 k = 0.3989-0.3557 0.5550 ( 3442 PWs) bands (ev): -47.8819 -47.8819 -22.5361 -22.5359 -19.9466 -19.9420 -19.7809 -19.7763 -19.7429 -19.7386 -17.8373 -17.8371 -8.2254 -8.2250 -4.5934 -4.5928 -4.5594 -4.5571 -4.3477 -4.3448 -0.0667 -0.0651 1.0747 1.0803 1.6106 1.6169 5.0187 5.0192 9.9505 9.9512 10.2108 10.2118 10.9317 10.9354 k = 0.4045-0.3607 0.5438 ( 3444 PWs) bands (ev): -47.8819 -47.8819 -22.5363 -22.5361 -19.9469 -19.9424 -19.7813 -19.7766 -19.7425 -19.7386 -17.8375 -17.8373 -8.2301 -8.2298 -4.5913 -4.5904 -4.5465 -4.5443 -4.3508 -4.3480 -0.0532 -0.0517 1.0760 1.0817 1.6097 1.6161 5.0384 5.0388 9.9066 9.9073 10.1821 10.1831 10.9035 10.9072 k = 0.4101-0.3657 0.5326 ( 3446 PWs) bands (ev): -47.8819 -47.8819 -22.5366 -22.5364 -19.9473 -19.9427 -19.7817 -19.7770 -19.7421 -19.7385 -17.8377 -17.8375 -8.2345 -8.2342 -4.5900 -4.5889 -4.5338 -4.5317 -4.3537 -4.3510 -0.0407 -0.0393 1.0772 1.0830 1.6089 1.6154 5.0567 5.0571 9.8654 9.8661 10.1557 10.1568 10.8764 10.8802 k = 0.4158-0.3707 0.5214 ( 3438 PWs) bands (ev): -47.8820 -47.8820 -22.5368 -22.5366 -19.9476 -19.9430 -19.7820 -19.7772 -19.7417 -19.7385 -17.8379 -17.8376 -8.2385 -8.2382 -4.5890 -4.5878 -4.5218 -4.5198 -4.3564 -4.3538 -0.0291 -0.0278 1.0783 1.0841 1.6081 1.6147 5.0737 5.0741 9.8272 9.8278 10.1316 10.1327 10.8511 10.8548 k = 0.4214-0.3757 0.5102 ( 3438 PWs) bands (ev): -47.8820 -47.8820 -22.5370 -22.5369 -19.9479 -19.9433 -19.7823 -19.7775 -19.7414 -19.7385 -17.8380 -17.8378 -8.2422 -8.2419 -4.5882 -4.5870 -4.5106 -4.5087 -4.3588 -4.3563 -0.0185 -0.0174 1.0792 1.0851 1.6074 1.6141 5.0892 5.0895 9.7922 9.7928 10.1098 10.1111 10.8277 10.8313 k = 0.4270-0.3808 0.4990 ( 3430 PWs) bands (ev): -47.8820 -47.8820 -22.5372 -22.5371 -19.9482 -19.9435 -19.7826 -19.7777 -19.7410 -19.7384 -17.8381 -17.8379 -8.2454 -8.2451 -4.5876 -4.5863 -4.5006 -4.4988 -4.3609 -4.3585 -0.0090 -0.0080 1.0800 1.0859 1.6067 1.6135 5.1031 5.1034 9.7607 9.7613 10.0905 10.0919 10.8066 10.8102 k = 0.4326-0.3858 0.4878 ( 3429 PWs) bands (ev): -47.8820 -47.8820 -22.5374 -22.5372 -19.9484 -19.9437 -19.7828 -19.7779 -19.7407 -19.7385 -17.8383 -17.8380 -8.2482 -8.2480 -4.5871 -4.5858 -4.4916 -4.4901 -4.3628 -4.3605 -0.0007 0.0002 1.0807 1.0866 1.6061 1.6130 5.1153 5.1155 9.7330 9.7335 10.0737 10.0751 10.7879 10.7915 k = 0.4383-0.3908 0.4766 ( 3433 PWs) bands (ev): -47.8820 -47.8820 -22.5375 -22.5374 -19.9487 -19.9439 -19.7831 -19.7781 -19.7404 -19.7385 -17.8383 -17.8381 -8.2506 -8.2504 -4.5867 -4.5854 -4.4839 -4.4826 -4.3644 -4.3623 0.0065 0.0072 1.0812 1.0872 1.6056 1.6126 5.1258 5.1260 9.7092 9.7097 10.0594 10.0608 10.7719 10.7754 k = 0.4439-0.3958 0.4653 ( 3429 PWs) bands (ev): -47.8820 -47.8820 -22.5376 -22.5375 -19.9488 -19.9441 -19.7832 -19.7782 -19.7400 -19.7386 -17.8384 -17.8381 -8.2525 -8.2524 -4.5864 -4.5851 -4.4775 -4.4763 -4.3657 -4.3637 0.0124 0.0130 1.0816 1.0877 1.6052 1.6122 5.1344 5.1346 9.6895 9.6900 10.0476 10.0491 10.7587 10.7622 k = 0.4495-0.4008 0.4541 ( 3423 PWs) bands (ev): -47.8820 -47.8820 -22.5377 -22.5376 -19.9489 -19.9442 -19.7833 -19.7783 -19.7398 -19.7386 -17.8385 -17.8382 -8.2541 -8.2539 -4.5862 -4.5848 -4.4724 -4.4715 -4.3668 -4.3649 0.0171 0.0175 1.0820 1.0880 1.6049 1.6119 5.1413 5.1414 9.6740 9.6745 10.0385 10.0400 10.7483 10.7517 k = 0.4552-0.4059 0.4429 ( 3425 PWs) bands (ev): -47.8820 -47.8820 -22.5378 -22.5377 -19.9490 -19.9443 -19.7834 -19.7784 -19.7395 -19.7388 -17.8385 -17.8382 -8.2552 -8.2550 -4.5861 -4.5846 -4.4687 -4.4681 -4.3675 -4.3657 0.0204 0.0207 1.0822 1.0883 1.6046 1.6117 5.1461 5.1462 9.6629 9.6634 10.0319 10.0334 10.7408 10.7443 k = 0.4608-0.4109 0.4317 ( 3427 PWs) bands (ev): -47.8820 -47.8820 -22.5378 -22.5377 -19.9491 -19.9443 -19.7835 -19.7784 -19.7393 -19.7389 -17.8386 -17.8383 -8.2558 -8.2557 -4.5860 -4.5845 -4.4664 -4.4661 -4.3679 -4.3662 0.0225 0.0226 1.0824 1.0884 1.6045 1.6115 5.1491 5.1491 9.6562 9.6567 10.0279 10.0295 10.7363 10.7398 k = 0.4664-0.4159 0.4205 ( 3428 PWs) bands (ev): -47.8821 -47.8821 -22.5379 -22.5378 -19.9491 -19.9443 -19.7835 -19.7784 -19.7392 -19.7390 -17.8386 -17.8383 -8.2560 -8.2559 -4.5859 -4.5845 -4.4655 -4.4655 -4.3681 -4.3664 0.0232 0.0232 1.0824 1.0885 1.6044 1.6115 5.1501 5.1501 9.6540 9.6545 10.0266 10.0282 10.7348 10.7382 k = 0.5336 0.5308 0.0303 ( 3428 PWs) bands (ev): -47.8821 -47.8821 -22.5379 -22.5378 -19.9491 -19.9443 -19.7835 -19.7784 -19.7392 -19.7390 -17.8386 -17.8383 -8.2560 -8.2559 -4.5859 -4.5845 -4.4655 -4.4655 -4.3681 -4.3664 0.0232 0.0232 1.0824 1.0885 1.6044 1.6115 5.1501 5.1501 9.6540 9.6545 10.0266 10.0282 10.7348 10.7382 k = 0.5252 0.5383 0.0227 ( 3428 PWs) bands (ev): -47.8820 -47.8820 -22.5375 -22.5374 -19.9490 -19.9454 -19.7833 -19.7795 -19.7392 -19.7391 -17.8377 -17.8374 -8.2606 -8.2605 -4.5792 -4.5781 -4.4665 -4.4665 -4.3723 -4.3711 0.0248 0.0248 1.1044 1.1093 1.5956 1.6013 5.1512 5.1512 9.6409 9.6412 10.0824 10.0837 10.6818 10.6846 k = 0.5168 0.5458 0.0151 ( 3422 PWs) bands (ev): -47.8820 -47.8820 -22.5372 -22.5372 -19.9488 -19.9463 -19.7830 -19.7804 -19.7392 -19.7391 -17.8370 -17.8368 -8.2639 -8.2638 -4.5743 -4.5735 -4.4672 -4.4672 -4.3754 -4.3745 0.0259 0.0259 1.1212 1.1247 1.5889 1.5929 5.1520 5.1520 9.6312 9.6314 10.1325 10.1334 10.6314 10.6333 k = 0.5084 0.5533 0.0076 ( 3418 PWs) bands (ev): -47.8820 -47.8820 -22.5370 -22.5370 -19.9483 -19.9471 -19.7825 -19.7812 -19.7391 -19.7391 -17.8366 -17.8365 -8.2659 -8.2658 -4.5712 -4.5708 -4.4676 -4.4676 -4.3771 -4.3767 0.0266 0.0266 1.1321 1.1339 1.5850 1.5871 5.1525 5.1525 9.6254 9.6255 10.1695 10.1701 10.5933 10.5944 k = 0.5000 0.5607 0.0000 ( 3408 PWs) bands (ev): -47.8820 -47.8820 -22.5370 -22.5370 -19.9478 -19.9478 -19.7819 -19.7819 -19.7391 -19.7391 -17.8364 -17.8364 -8.2665 -8.2665 -4.5701 -4.5701 -4.4678 -4.4678 -4.3775 -4.3775 0.0268 0.0268 1.1364 1.1364 1.5844 1.5844 5.1527 5.1527 9.6234 9.6234 10.1839 10.1839 10.5790 10.5790 Writing output data file NaNO2.save init_run : 1.55s CPU 10.78s WALL ( 1 calls) electrons : 352.39s CPU 359.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.35s CPU 1.98s WALL ( 1 calls) Called by electrons: c_bands : 352.33s CPU 359.02s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.96s WALL ( 1 calls) v_h : 0.06s CPU 0.12s WALL ( 1 calls) v_xc : 0.03s CPU 0.61s WALL ( 1 calls) newd : 0.18s CPU 0.44s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.08s WALL ( 450 calls) cegterg : 329.70s CPU 332.74s WALL ( 827 calls) Called by sum_band: Called by *egterg: h_psi : 176.29s CPU 182.98s WALL ( 13480 calls) s_psi : 5.02s CPU 5.79s WALL ( 13480 calls) g_psi : 0.45s CPU 0.49s WALL ( 12203 calls) cdiaghg : 102.87s CPU 101.33s WALL ( 12653 calls) cegterg:over : 28.03s CPU 24.96s WALL ( 12203 calls) cegterg:upda : 3.82s CPU 6.84s WALL ( 12203 calls) cegterg:last : 4.00s CPU 4.96s WALL ( 2434 calls) Called by h_psi: h_psi:vloc : 159.33s CPU 165.14s WALL ( 13480 calls) h_psi:vnl : 16.82s CPU 17.26s WALL ( 13480 calls) add_vuspsi : 2.58s CPU 4.88s WALL ( 13480 calls) General routines calbec : 14.19s CPU 12.26s WALL ( 13480 calls) fft : 0.49s CPU 1.27s WALL ( 19 calls) ffts : 0.09s CPU 0.52s WALL ( 4 calls) fftw : 153.73s CPU 158.17s WALL ( 983040 calls) interpolate : 0.10s CPU 0.55s WALL ( 4 calls) davcio : 0.05s CPU 2.19s WALL ( 900 calls) Parallel routines fft_scatter : 100.43s CPU 102.76s WALL ( 983063 calls) PWSCF : 6m37.04s CPU 8m 3.21s WALL This run was terminated on: 0:49:49 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=