Program PWSCF v.5.1.1 starts on 8Oct2015 at 23:23:14 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 8 767 573 90 Max 36 30 9 769 581 93 Sum 1693 1393 407 36849 27695 4369 bravais-lattice index = 14 lattice parameter (alat) = 8.1336 a.u. unit-cell volume = 374.3396 (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)= 8.133582 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.638452 celldm(5)= -0.223139 celldm(6)= -0.138409 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.138409 0.990375 0.000000 ) a(3) = ( -0.223139 -0.675841 0.702458 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.139755 0.452113 ) b(2) = ( 0.000000 1.009718 0.971459 ) b(3) = ( 0.000000 0.000000 1.423572 ) 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= 448 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 2) = ( -0.0058182 0.0050616 0.0113042), wk = 0.0022321 k( 3) = ( -0.0116363 0.0101232 0.0226084), wk = 0.0022321 k( 4) = ( -0.0174544 0.0151847 0.0339126), wk = 0.0022321 k( 5) = ( -0.0232726 0.0202463 0.0452167), wk = 0.0022321 k( 6) = ( -0.0290907 0.0253079 0.0565209), wk = 0.0022321 k( 7) = ( -0.0349089 0.0303695 0.0678251), wk = 0.0022321 k( 8) = ( -0.0407271 0.0354311 0.0791293), wk = 0.0022321 k( 9) = ( -0.0465452 0.0404927 0.0904335), wk = 0.0022321 k( 10) = ( -0.0523634 0.0455542 0.1017377), wk = 0.0022321 k( 11) = ( -0.0581815 0.0506158 0.1130419), wk = 0.0022321 k( 12) = ( -0.0639997 0.0556774 0.1243461), wk = 0.0022321 k( 13) = ( -0.0698178 0.0607390 0.1356503), wk = 0.0022321 k( 14) = ( -0.0756360 0.0658006 0.1469544), wk = 0.0022321 k( 15) = ( -0.0814541 0.0708621 0.1582586), wk = 0.0022321 k( 16) = ( -0.0872723 0.0759237 0.1695628), wk = 0.0022321 k( 17) = ( -0.0930904 0.0809853 0.1808670), wk = 0.0022321 k( 18) = ( -0.0989086 0.0860469 0.1921712), wk = 0.0022321 k( 19) = ( -0.1047267 0.0911085 0.2034754), wk = 0.0022321 k( 20) = ( -0.1105449 0.0961700 0.2147796), wk = 0.0022321 k( 21) = ( -0.1163630 0.1012316 0.2260838), wk = 0.0022321 k( 22) = ( -0.1221812 0.1062932 0.2373879), wk = 0.0022321 k( 23) = ( -0.1279993 0.1113548 0.2486921), wk = 0.0022321 k( 24) = ( -0.1338175 0.1164164 0.2599963), wk = 0.0022321 k( 25) = ( -0.1396356 0.1214779 0.2713005), wk = 0.0022321 k( 26) = ( -0.1454538 0.1265395 0.2826047), wk = 0.0022321 k( 27) = ( -0.1512719 0.1316011 0.2939089), wk = 0.0022321 k( 28) = ( -0.1570901 0.1366627 0.3052131), wk = 0.0022321 k( 29) = ( -0.1629082 0.1417243 0.3165173), wk = 0.0022321 k( 30) = ( -0.1687264 0.1467858 0.3278214), wk = 0.0022321 k( 31) = ( -0.1745445 0.1518474 0.3391256), wk = 0.0022321 k( 32) = ( -0.1803627 0.1569090 0.3504298), wk = 0.0022321 k( 33) = ( -0.1861808 0.1619706 0.3617340), wk = 0.0022321 k( 34) = ( -0.1919990 0.1670322 0.3730382), wk = 0.0022321 k( 35) = ( -0.1978171 0.1720938 0.3843424), wk = 0.0022321 k( 36) = ( -0.2036353 0.1771553 0.3956466), wk = 0.0022321 k( 37) = ( -0.2094534 0.1822169 0.4069508), wk = 0.0022321 k( 38) = ( -0.2152716 0.1872785 0.4182549), wk = 0.0022321 k( 39) = ( -0.2210897 0.1923401 0.4295591), wk = 0.0022321 k( 40) = ( -0.2269079 0.1974017 0.4408633), wk = 0.0022321 k( 41) = ( -0.2327260 0.2024632 0.4521675), wk = 0.0022321 k( 42) = ( -0.2385442 0.2075248 0.4634717), wk = 0.0022321 k( 43) = ( -0.2443623 0.2125864 0.4747759), wk = 0.0022321 k( 44) = ( -0.2501805 0.2176480 0.4860801), wk = 0.0022321 k( 45) = ( -0.2559986 0.2227096 0.4973843), wk = 0.0022321 k( 46) = ( -0.2618168 0.2277711 0.5086884), wk = 0.0022321 k( 47) = ( -0.2676349 0.2328327 0.5199926), wk = 0.0022321 k( 48) = ( -0.2734531 0.2378943 0.5312968), wk = 0.0022321 k( 49) = ( -0.2792712 0.2429559 0.5426010), wk = 0.0022321 k( 50) = ( -0.2850894 0.2480175 0.5539052), wk = 0.0022321 k( 51) = ( -0.2909075 0.2530790 0.5652094), wk = 0.0022321 k( 52) = ( -0.2967257 0.2581406 0.5765136), wk = 0.0022321 k( 53) = ( -0.3025438 0.2632022 0.5878178), wk = 0.0022321 k( 54) = ( -0.3083620 0.2682638 0.5991219), wk = 0.0022321 k( 55) = ( -0.3141801 0.2733254 0.6104261), wk = 0.0022321 k( 56) = ( -0.3199983 0.2783869 0.6217303), wk = 0.0022321 k( 57) = ( -0.3258164 0.2834485 0.6330345), wk = 0.0022321 k( 58) = ( -0.3316346 0.2885101 0.6443387), wk = 0.0022321 k( 59) = ( -0.3374527 0.2935717 0.6556429), wk = 0.0022321 k( 60) = ( -0.3432709 0.2986333 0.6669471), wk = 0.0022321 k( 61) = ( -0.3490891 0.3036949 0.6782513), wk = 0.0022321 k( 62) = ( -0.3549072 0.3087564 0.6895555), wk = 0.0022321 k( 63) = ( -0.3549072 0.3087564 0.6895555), wk = 0.0022321 k( 64) = ( -0.3467121 0.3016270 0.6969656), wk = 0.0022321 k( 65) = ( -0.3385171 0.2944977 0.7043758), wk = 0.0022321 k( 66) = ( -0.3303221 0.2873683 0.7117860), wk = 0.0022321 k( 67) = ( -0.3303221 0.2873683 0.7117860), wk = 0.0022321 k( 68) = ( -0.3199995 0.2783880 0.7117860), wk = 0.0022321 k( 69) = ( -0.3096769 0.2694077 0.7117860), wk = 0.0022321 k( 70) = ( -0.2993544 0.2604275 0.7117860), wk = 0.0022321 k( 71) = ( -0.2890318 0.2514472 0.7117860), wk = 0.0022321 k( 72) = ( -0.2787093 0.2424670 0.7117860), wk = 0.0022321 k( 73) = ( -0.2683867 0.2334867 0.7117860), wk = 0.0022321 k( 74) = ( -0.2580641 0.2245065 0.7117860), wk = 0.0022321 k( 75) = ( -0.2477416 0.2155262 0.7117860), wk = 0.0022321 k( 76) = ( -0.2374190 0.2065459 0.7117860), wk = 0.0022321 k( 77) = ( -0.2270964 0.1975657 0.7117860), wk = 0.0022321 k( 78) = ( -0.2167739 0.1885854 0.7117860), wk = 0.0022321 k( 79) = ( -0.2064513 0.1796052 0.7117860), wk = 0.0022321 k( 80) = ( -0.1961287 0.1706249 0.7117860), wk = 0.0022321 k( 81) = ( -0.1858062 0.1616446 0.7117860), wk = 0.0022321 k( 82) = ( -0.1754836 0.1526644 0.7117860), wk = 0.0022321 k( 83) = ( -0.1651610 0.1436841 0.7117860), wk = 0.0022321 k( 84) = ( -0.1548385 0.1347039 0.7117860), wk = 0.0022321 k( 85) = ( -0.1445159 0.1257236 0.7117860), wk = 0.0022321 k( 86) = ( -0.1341933 0.1167434 0.7117860), wk = 0.0022321 k( 87) = ( -0.1238708 0.1077631 0.7117860), wk = 0.0022321 k( 88) = ( -0.1135482 0.0987828 0.7117860), wk = 0.0022321 k( 89) = ( -0.1032257 0.0898026 0.7117860), wk = 0.0022321 k( 90) = ( -0.0929031 0.0808223 0.7117860), wk = 0.0022321 k( 91) = ( -0.0825805 0.0718421 0.7117860), wk = 0.0022321 k( 92) = ( -0.0722580 0.0628618 0.7117860), wk = 0.0022321 k( 93) = ( -0.0619354 0.0538816 0.7117860), wk = 0.0022321 k( 94) = ( -0.0516128 0.0449013 0.7117860), wk = 0.0022321 k( 95) = ( -0.0412903 0.0359210 0.7117860), wk = 0.0022321 k( 96) = ( -0.0309677 0.0269408 0.7117860), wk = 0.0022321 k( 97) = ( -0.0206451 0.0179605 0.7117860), wk = 0.0022321 k( 98) = ( -0.0103226 0.0089803 0.7117860), wk = 0.0022321 k( 99) = ( 0.0000000 0.0000000 0.7117860), wk = 0.0022321 k( 100) = ( 0.0000000 0.0000000 0.7117860), wk = 0.0022321 k( 101) = ( 0.0089286 0.0102632 0.7117860), wk = 0.0022321 k( 102) = ( 0.0178571 0.0205263 0.7117860), wk = 0.0022321 k( 103) = ( 0.0267857 0.0307895 0.7117860), wk = 0.0022321 k( 104) = ( 0.0357143 0.0410526 0.7117860), wk = 0.0022321 k( 105) = ( 0.0446429 0.0513158 0.7117860), wk = 0.0022321 k( 106) = ( 0.0535714 0.0615789 0.7117860), wk = 0.0022321 k( 107) = ( 0.0625000 0.0718421 0.7117860), wk = 0.0022321 k( 108) = ( 0.0714286 0.0821052 0.7117860), wk = 0.0022321 k( 109) = ( 0.0803571 0.0923684 0.7117860), wk = 0.0022321 k( 110) = ( 0.0892857 0.1026315 0.7117860), wk = 0.0022321 k( 111) = ( 0.0982143 0.1128947 0.7117860), wk = 0.0022321 k( 112) = ( 0.1071429 0.1231578 0.7117860), wk = 0.0022321 k( 113) = ( 0.1160714 0.1334210 0.7117860), wk = 0.0022321 k( 114) = ( 0.1250000 0.1436841 0.7117860), wk = 0.0022321 k( 115) = ( 0.1339286 0.1539473 0.7117860), wk = 0.0022321 k( 116) = ( 0.1428571 0.1642104 0.7117860), wk = 0.0022321 k( 117) = ( 0.1517857 0.1744736 0.7117860), wk = 0.0022321 k( 118) = ( 0.1607143 0.1847367 0.7117860), wk = 0.0022321 k( 119) = ( 0.1696429 0.1949999 0.7117860), wk = 0.0022321 k( 120) = ( 0.1785714 0.2052630 0.7117860), wk = 0.0022321 k( 121) = ( 0.1875000 0.2155262 0.7117860), wk = 0.0022321 k( 122) = ( 0.1964286 0.2257893 0.7117860), wk = 0.0022321 k( 123) = ( 0.2053571 0.2360525 0.7117860), wk = 0.0022321 k( 124) = ( 0.2142857 0.2463156 0.7117860), wk = 0.0022321 k( 125) = ( 0.2232143 0.2565788 0.7117860), wk = 0.0022321 k( 126) = ( 0.2321429 0.2668420 0.7117860), wk = 0.0022321 k( 127) = ( 0.2410714 0.2771051 0.7117860), wk = 0.0022321 k( 128) = ( 0.2500000 0.2873683 0.7117860), wk = 0.0022321 k( 129) = ( 0.2500000 0.2873683 0.7117860), wk = 0.0022321 k( 130) = ( 0.2416667 0.2946180 0.7042508), wk = 0.0022321 k( 131) = ( 0.2333333 0.3018677 0.6967155), wk = 0.0022321 k( 132) = ( 0.2250000 0.3091174 0.6891803), wk = 0.0022321 k( 133) = ( 0.2166667 0.3163671 0.6816451), wk = 0.0022321 k( 134) = ( 0.2083333 0.3236168 0.6741099), wk = 0.0022321 k( 135) = ( 0.2000000 0.3308665 0.6665747), wk = 0.0022321 k( 136) = ( 0.1916667 0.3381161 0.6590394), wk = 0.0022321 k( 137) = ( 0.1833333 0.3453659 0.6515042), wk = 0.0022321 k( 138) = ( 0.1750000 0.3526155 0.6439690), wk = 0.0022321 k( 139) = ( 0.1666667 0.3598652 0.6364338), wk = 0.0022321 k( 140) = ( 0.1583333 0.3671150 0.6288986), wk = 0.0022321 k( 141) = ( 0.1500000 0.3743646 0.6213633), wk = 0.0022321 k( 142) = ( 0.1416667 0.3816143 0.6138281), wk = 0.0022321 k( 143) = ( 0.1333333 0.3888640 0.6062929), wk = 0.0022321 k( 144) = ( 0.1250000 0.3961137 0.5987577), wk = 0.0022321 k( 145) = ( 0.1166667 0.4033634 0.5912225), wk = 0.0022321 k( 146) = ( 0.1083333 0.4106131 0.5836872), wk = 0.0022321 k( 147) = ( 0.1000000 0.4178628 0.5761520), wk = 0.0022321 k( 148) = ( 0.0916667 0.4251125 0.5686168), wk = 0.0022321 k( 149) = ( 0.0833333 0.4323622 0.5610816), wk = 0.0022321 k( 150) = ( 0.0750000 0.4396119 0.5535464), wk = 0.0022321 k( 151) = ( 0.0666667 0.4468616 0.5460112), wk = 0.0022321 k( 152) = ( 0.0583333 0.4541113 0.5384759), wk = 0.0022321 k( 153) = ( 0.0500000 0.4613610 0.5309407), wk = 0.0022321 k( 154) = ( 0.0416667 0.4686107 0.5234055), wk = 0.0022321 k( 155) = ( 0.0333333 0.4758604 0.5158703), wk = 0.0022321 k( 156) = ( 0.0250000 0.4831101 0.5083351), wk = 0.0022321 k( 157) = ( 0.0166667 0.4903598 0.5007998), wk = 0.0022321 k( 158) = ( 0.0083333 0.4976095 0.4932646), wk = 0.0022321 k( 159) = ( 0.0000000 0.5048592 0.4857294), wk = 0.0022321 k( 160) = ( 0.0000000 0.5048592 0.4857294), wk = 0.0022321 k( 161) = ( 0.0104385 0.5106270 0.4797345), wk = 0.0022321 k( 162) = ( 0.0208769 0.5163947 0.4737396), wk = 0.0022321 k( 163) = ( 0.0313153 0.5221624 0.4677448), wk = 0.0022321 k( 164) = ( 0.0417538 0.5279301 0.4617499), wk = 0.0022321 k( 165) = ( 0.0521922 0.5336979 0.4557550), wk = 0.0022321 k( 166) = ( 0.0626307 0.5394656 0.4497601), wk = 0.0022321 k( 167) = ( 0.0730691 0.5452333 0.4437652), wk = 0.0022321 k( 168) = ( 0.0835076 0.5510011 0.4377703), wk = 0.0022321 k( 169) = ( 0.0939460 0.5567688 0.4317755), wk = 0.0022321 k( 170) = ( 0.1043845 0.5625365 0.4257806), wk = 0.0022321 k( 171) = ( 0.1148229 0.5683042 0.4197857), wk = 0.0022321 k( 172) = ( 0.1252614 0.5740720 0.4137908), wk = 0.0022321 k( 173) = ( 0.1356998 0.5798397 0.4077959), wk = 0.0022321 k( 174) = ( 0.1461383 0.5856074 0.4018010), wk = 0.0022321 k( 175) = ( 0.1565767 0.5913752 0.3958062), wk = 0.0022321 k( 176) = ( 0.1670152 0.5971429 0.3898113), wk = 0.0022321 k( 177) = ( 0.1774536 0.6029106 0.3838164), wk = 0.0022321 k( 178) = ( 0.1878921 0.6086784 0.3778215), wk = 0.0022321 k( 179) = ( 0.1983305 0.6144461 0.3718266), wk = 0.0022321 k( 180) = ( 0.2087689 0.6202138 0.3658317), wk = 0.0022321 k( 181) = ( 0.2192074 0.6259815 0.3598368), wk = 0.0022321 k( 182) = ( 0.2296458 0.6317493 0.3538420), wk = 0.0022321 k( 183) = ( 0.2400843 0.6375170 0.3478471), wk = 0.0022321 k( 184) = ( 0.2505227 0.6432847 0.3418522), wk = 0.0022321 k( 185) = ( 0.2609612 0.6490524 0.3358573), wk = 0.0022321 k( 186) = ( 0.2713996 0.6548202 0.3298624), wk = 0.0022321 k( 187) = ( 0.2818381 0.6605879 0.3238676), wk = 0.0022321 k( 188) = ( 0.2922765 0.6663556 0.3178727), wk = 0.0022321 k( 189) = ( 0.3027150 0.6721234 0.3118778), wk = 0.0022321 k( 190) = ( 0.3131534 0.6778911 0.3058829), wk = 0.0022321 k( 191) = ( 0.3235919 0.6836588 0.2998880), wk = 0.0022321 k( 192) = ( 0.3340303 0.6894266 0.2938931), wk = 0.0022321 k( 193) = ( 0.3444687 0.6951943 0.2878983), wk = 0.0022321 k( 194) = ( 0.3549072 0.7009620 0.2819034), wk = 0.0022321 k( 195) = ( 0.3549072 0.7009620 0.2819034), wk = 0.0022321 k( 196) = ( 0.3607109 0.6959130 0.2706272), wk = 0.0022321 k( 197) = ( 0.3665146 0.6908640 0.2593511), wk = 0.0022321 k( 198) = ( 0.3723183 0.6858150 0.2480750), wk = 0.0022321 k( 199) = ( 0.3781220 0.6807659 0.2367988), wk = 0.0022321 k( 200) = ( 0.3839258 0.6757169 0.2255227), wk = 0.0022321 k( 201) = ( 0.3897295 0.6706679 0.2142466), wk = 0.0022321 k( 202) = ( 0.3955332 0.6656189 0.2029704), wk = 0.0022321 k( 203) = ( 0.4013369 0.6605699 0.1916943), wk = 0.0022321 k( 204) = ( 0.4071406 0.6555208 0.1804181), wk = 0.0022321 k( 205) = ( 0.4129443 0.6504718 0.1691420), wk = 0.0022321 k( 206) = ( 0.4187480 0.6454228 0.1578659), wk = 0.0022321 k( 207) = ( 0.4245517 0.6403738 0.1465898), wk = 0.0022321 k( 208) = ( 0.4303554 0.6353248 0.1353136), wk = 0.0022321 k( 209) = ( 0.4361592 0.6302757 0.1240375), wk = 0.0022321 k( 210) = ( 0.4419629 0.6252267 0.1127613), wk = 0.0022321 k( 211) = ( 0.4477666 0.6201777 0.1014852), wk = 0.0022321 k( 212) = ( 0.4535703 0.6151287 0.0902091), wk = 0.0022321 k( 213) = ( 0.4593740 0.6100797 0.0789329), wk = 0.0022321 k( 214) = ( 0.4651777 0.6050306 0.0676568), wk = 0.0022321 k( 215) = ( 0.4709814 0.5999816 0.0563807), wk = 0.0022321 k( 216) = ( 0.4767851 0.5949326 0.0451045), wk = 0.0022321 k( 217) = ( 0.4825889 0.5898836 0.0338284), wk = 0.0022321 k( 218) = ( 0.4883926 0.5848346 0.0225523), wk = 0.0022321 k( 219) = ( 0.4941963 0.5797855 0.0112761), wk = 0.0022321 k( 220) = ( 0.5000000 0.5747365 -0.0000000), wk = 0.0022321 k( 221) = ( 0.5000000 0.5747365 -0.0000000), wk = 0.0022321 k( 222) = ( 0.4910714 0.5644734 -0.0000000), wk = 0.0022321 k( 223) = ( 0.4821429 0.5542102 -0.0000000), wk = 0.0022321 k( 224) = ( 0.4732143 0.5439471 -0.0000000), wk = 0.0022321 k( 225) = ( 0.4642857 0.5336839 -0.0000000), wk = 0.0022321 k( 226) = ( 0.4553571 0.5234208 -0.0000000), wk = 0.0022321 k( 227) = ( 0.4464286 0.5131576 -0.0000000), wk = 0.0022321 k( 228) = ( 0.4375000 0.5028945 -0.0000000), wk = 0.0022321 k( 229) = ( 0.4285714 0.4926313 -0.0000000), wk = 0.0022321 k( 230) = ( 0.4196429 0.4823682 -0.0000000), wk = 0.0022321 k( 231) = ( 0.4107143 0.4721050 -0.0000000), wk = 0.0022321 k( 232) = ( 0.4017857 0.4618418 -0.0000000), wk = 0.0022321 k( 233) = ( 0.3928571 0.4515787 -0.0000000), wk = 0.0022321 k( 234) = ( 0.3839286 0.4413155 -0.0000000), wk = 0.0022321 k( 235) = ( 0.3750000 0.4310524 -0.0000000), wk = 0.0022321 k( 236) = ( 0.3660714 0.4207892 -0.0000000), wk = 0.0022321 k( 237) = ( 0.3571429 0.4105261 -0.0000000), wk = 0.0022321 k( 238) = ( 0.3482143 0.4002629 -0.0000000), wk = 0.0022321 k( 239) = ( 0.3392857 0.3899998 -0.0000000), wk = 0.0022321 k( 240) = ( 0.3303571 0.3797366 -0.0000000), wk = 0.0022321 k( 241) = ( 0.3214286 0.3694735 -0.0000000), wk = 0.0022321 k( 242) = ( 0.3125000 0.3592103 -0.0000000), wk = 0.0022321 k( 243) = ( 0.3035714 0.3489472 -0.0000000), wk = 0.0022321 k( 244) = ( 0.2946429 0.3386840 -0.0000000), wk = 0.0022321 k( 245) = ( 0.2857143 0.3284209 -0.0000000), wk = 0.0022321 k( 246) = ( 0.2767857 0.3181577 -0.0000000), wk = 0.0022321 k( 247) = ( 0.2678571 0.3078946 -0.0000000), wk = 0.0022321 k( 248) = ( 0.2589286 0.2976314 -0.0000000), wk = 0.0022321 k( 249) = ( 0.2500000 0.2873683 -0.0000000), wk = 0.0022321 k( 250) = ( 0.2410714 0.2771051 -0.0000000), wk = 0.0022321 k( 251) = ( 0.2321429 0.2668420 -0.0000000), wk = 0.0022321 k( 252) = ( 0.2232143 0.2565788 -0.0000000), wk = 0.0022321 k( 253) = ( 0.2142857 0.2463156 -0.0000000), wk = 0.0022321 k( 254) = ( 0.2053571 0.2360525 -0.0000000), wk = 0.0022321 k( 255) = ( 0.1964286 0.2257893 -0.0000000), wk = 0.0022321 k( 256) = ( 0.1875000 0.2155262 -0.0000000), wk = 0.0022321 k( 257) = ( 0.1785714 0.2052630 -0.0000000), wk = 0.0022321 k( 258) = ( 0.1696429 0.1949999 -0.0000000), wk = 0.0022321 k( 259) = ( 0.1607143 0.1847367 -0.0000000), wk = 0.0022321 k( 260) = ( 0.1517857 0.1744736 -0.0000000), wk = 0.0022321 k( 261) = ( 0.1428571 0.1642104 -0.0000000), wk = 0.0022321 k( 262) = ( 0.1339286 0.1539473 -0.0000000), wk = 0.0022321 k( 263) = ( 0.1250000 0.1436841 -0.0000000), wk = 0.0022321 k( 264) = ( 0.1160714 0.1334210 -0.0000000), wk = 0.0022321 k( 265) = ( 0.1071429 0.1231578 -0.0000000), wk = 0.0022321 k( 266) = ( 0.0982143 0.1128947 -0.0000000), wk = 0.0022321 k( 267) = ( 0.0892857 0.1026315 -0.0000000), wk = 0.0022321 k( 268) = ( 0.0803571 0.0923684 -0.0000000), wk = 0.0022321 k( 269) = ( 0.0714286 0.0821052 -0.0000000), wk = 0.0022321 k( 270) = ( 0.0625000 0.0718421 -0.0000000), wk = 0.0022321 k( 271) = ( 0.0535714 0.0615789 -0.0000000), wk = 0.0022321 k( 272) = ( 0.0446429 0.0513158 -0.0000000), wk = 0.0022321 k( 273) = ( 0.0357143 0.0410526 -0.0000000), wk = 0.0022321 k( 274) = ( 0.0267857 0.0307895 -0.0000000), wk = 0.0022321 k( 275) = ( 0.0178571 0.0205263 -0.0000000), wk = 0.0022321 k( 276) = ( 0.0089286 0.0102632 -0.0000000), wk = 0.0022321 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 279) = ( 0.0084896 -0.0073856 0.0076765), wk = 0.0022321 k( 280) = ( 0.0169791 -0.0147712 0.0153529), wk = 0.0022321 k( 281) = ( 0.0254686 -0.0221568 0.0230294), wk = 0.0022321 k( 282) = ( 0.0339582 -0.0295424 0.0307059), wk = 0.0022321 k( 283) = ( 0.0424478 -0.0369280 0.0383824), wk = 0.0022321 k( 284) = ( 0.0509373 -0.0443136 0.0460589), wk = 0.0022321 k( 285) = ( 0.0594269 -0.0516992 0.0537353), wk = 0.0022321 k( 286) = ( 0.0679164 -0.0590848 0.0614118), wk = 0.0022321 k( 287) = ( 0.0764060 -0.0664704 0.0690883), wk = 0.0022321 k( 288) = ( 0.0848955 -0.0738560 0.0767647), wk = 0.0022321 k( 289) = ( 0.0933851 -0.0812416 0.0844412), wk = 0.0022321 k( 290) = ( 0.1018746 -0.0886272 0.0921177), wk = 0.0022321 k( 291) = ( 0.1103642 -0.0960128 0.0997942), wk = 0.0022321 k( 292) = ( 0.1188537 -0.1033984 0.1074707), wk = 0.0022321 k( 293) = ( 0.1273433 -0.1107840 0.1151471), wk = 0.0022321 k( 294) = ( 0.1358328 -0.1181696 0.1228236), wk = 0.0022321 k( 295) = ( 0.1443224 -0.1255552 0.1305001), wk = 0.0022321 k( 296) = ( 0.1528119 -0.1329408 0.1381765), wk = 0.0022321 k( 297) = ( 0.1613015 -0.1403264 0.1458530), wk = 0.0022321 k( 298) = ( 0.1697910 -0.1477121 0.1535295), wk = 0.0022321 k( 299) = ( 0.1782806 -0.1550977 0.1612060), wk = 0.0022321 k( 300) = ( 0.1867701 -0.1624833 0.1688825), wk = 0.0022321 k( 301) = ( 0.1952597 -0.1698689 0.1765589), wk = 0.0022321 k( 302) = ( 0.2037492 -0.1772545 0.1842354), wk = 0.0022321 k( 303) = ( 0.2122388 -0.1846401 0.1919119), wk = 0.0022321 k( 304) = ( 0.2207283 -0.1920257 0.1995883), wk = 0.0022321 k( 305) = ( 0.2292179 -0.1994113 0.2072648), wk = 0.0022321 k( 306) = ( 0.2377074 -0.2067969 0.2149413), wk = 0.0022321 k( 307) = ( 0.2461970 -0.2141825 0.2226178), wk = 0.0022321 k( 308) = ( 0.2546865 -0.2215681 0.2302943), wk = 0.0022321 k( 309) = ( 0.2631761 -0.2289537 0.2379707), wk = 0.0022321 k( 310) = ( 0.2716656 -0.2363393 0.2456472), wk = 0.0022321 k( 311) = ( 0.2801552 -0.2437249 0.2533237), wk = 0.0022321 k( 312) = ( 0.2886447 -0.2511105 0.2610001), wk = 0.0022321 k( 313) = ( 0.2971343 -0.2584961 0.2686766), wk = 0.0022321 k( 314) = ( 0.3056238 -0.2658817 0.2763531), wk = 0.0022321 k( 315) = ( 0.3141134 -0.2732673 0.2840296), wk = 0.0022321 k( 316) = ( 0.3226029 -0.2806529 0.2917061), wk = 0.0022321 k( 317) = ( 0.3310925 -0.2880385 0.2993825), wk = 0.0022321 k( 318) = ( 0.3395821 -0.2954241 0.3070590), wk = 0.0022321 k( 319) = ( 0.3480716 -0.3028097 0.3147355), wk = 0.0022321 k( 320) = ( 0.3565611 -0.3101953 0.3224119), wk = 0.0022321 k( 321) = ( 0.3650507 -0.3175809 0.3300884), wk = 0.0022321 k( 322) = ( 0.3735403 -0.3249665 0.3377649), wk = 0.0022321 k( 323) = ( 0.3820298 -0.3323521 0.3454414), wk = 0.0022321 k( 324) = ( 0.3905194 -0.3397377 0.3531179), wk = 0.0022321 k( 325) = ( 0.3990089 -0.3471233 0.3607943), wk = 0.0022321 k( 326) = ( 0.4074985 -0.3545089 0.3684708), wk = 0.0022321 k( 327) = ( 0.4159880 -0.3618945 0.3761473), wk = 0.0022321 k( 328) = ( 0.4244776 -0.3692801 0.3838237), wk = 0.0022321 k( 329) = ( 0.4329671 -0.3766657 0.3915002), wk = 0.0022321 k( 330) = ( 0.4414567 -0.3840513 0.3991767), wk = 0.0022321 k( 331) = ( 0.4499462 -0.3914369 0.4068532), wk = 0.0022321 k( 332) = ( 0.4584358 -0.3988225 0.4145297), wk = 0.0022321 k( 333) = ( 0.4669253 -0.4062082 0.4222061), wk = 0.0022321 k( 334) = ( 0.4754149 -0.4135938 0.4298826), wk = 0.0022321 k( 335) = ( 0.4754149 -0.4135938 0.4298826), wk = 0.0022321 k( 336) = ( 0.4760453 -0.4011971 0.4246563), wk = 0.0022321 k( 337) = ( 0.4766757 -0.3888004 0.4194300), wk = 0.0022321 k( 338) = ( 0.4773060 -0.3764037 0.4142037), wk = 0.0022321 k( 339) = ( 0.4779364 -0.3640070 0.4089774), wk = 0.0022321 k( 340) = ( 0.4785668 -0.3516103 0.4037511), wk = 0.0022321 k( 341) = ( 0.4791972 -0.3392136 0.3985248), wk = 0.0022321 k( 342) = ( 0.4798276 -0.3268169 0.3932984), wk = 0.0022321 k( 343) = ( 0.4804580 -0.3144202 0.3880721), wk = 0.0022321 k( 344) = ( 0.4810884 -0.3020235 0.3828458), wk = 0.0022321 k( 345) = ( 0.4817187 -0.2896268 0.3776195), wk = 0.0022321 k( 346) = ( 0.4823491 -0.2772301 0.3723932), wk = 0.0022321 k( 347) = ( 0.4829795 -0.2648334 0.3671669), wk = 0.0022321 k( 348) = ( 0.4836099 -0.2524367 0.3619406), wk = 0.0022321 k( 349) = ( 0.4842403 -0.2400400 0.3567143), wk = 0.0022321 k( 350) = ( 0.4848707 -0.2276434 0.3514880), wk = 0.0022321 k( 351) = ( 0.4855011 -0.2152467 0.3462617), wk = 0.0022321 k( 352) = ( 0.4861315 -0.2028500 0.3410354), wk = 0.0022321 k( 353) = ( 0.4867618 -0.1904533 0.3358090), wk = 0.0022321 k( 354) = ( 0.4873922 -0.1780566 0.3305827), wk = 0.0022321 k( 355) = ( 0.4880226 -0.1656599 0.3253564), wk = 0.0022321 k( 356) = ( 0.4886530 -0.1532632 0.3201301), wk = 0.0022321 k( 357) = ( 0.4892834 -0.1408665 0.3149038), wk = 0.0022321 k( 358) = ( 0.4899138 -0.1284698 0.3096775), wk = 0.0022321 k( 359) = ( 0.4905442 -0.1160731 0.3044512), wk = 0.0022321 k( 360) = ( 0.4911746 -0.1036764 0.2992249), wk = 0.0022321 k( 361) = ( 0.4918050 -0.0912797 0.2939986), wk = 0.0022321 k( 362) = ( 0.4924353 -0.0788830 0.2887723), wk = 0.0022321 k( 363) = ( 0.4930657 -0.0664863 0.2835460), wk = 0.0022321 k( 364) = ( 0.4936961 -0.0540896 0.2783196), wk = 0.0022321 k( 365) = ( 0.4943265 -0.0416929 0.2730933), wk = 0.0022321 k( 366) = ( 0.4949569 -0.0292963 0.2678670), wk = 0.0022321 k( 367) = ( 0.4955873 -0.0168996 0.2626407), wk = 0.0022321 k( 368) = ( 0.4962177 -0.0045029 0.2574144), wk = 0.0022321 k( 369) = ( 0.4968481 0.0078938 0.2521881), wk = 0.0022321 k( 370) = ( 0.4974785 0.0202905 0.2469618), wk = 0.0022321 k( 371) = ( 0.4981088 0.0326872 0.2417355), wk = 0.0022321 k( 372) = ( 0.4987392 0.0450839 0.2365092), wk = 0.0022321 k( 373) = ( 0.4993696 0.0574806 0.2312829), wk = 0.0022321 k( 374) = ( 0.5000000 0.0698773 0.2260566), wk = 0.0022321 k( 375) = ( 0.5000000 0.0698773 0.2260566), wk = 0.0022321 k( 376) = ( 0.4941860 0.0749352 0.2373526), wk = 0.0022321 k( 377) = ( 0.4883721 0.0799932 0.2486486), wk = 0.0022321 k( 378) = ( 0.4825581 0.0850511 0.2599447), wk = 0.0022321 k( 379) = ( 0.4767442 0.0901090 0.2712407), wk = 0.0022321 k( 380) = ( 0.4709302 0.0951669 0.2825367), wk = 0.0022321 k( 381) = ( 0.4651163 0.1002249 0.2938328), wk = 0.0022321 k( 382) = ( 0.4593023 0.1052828 0.3051288), wk = 0.0022321 k( 383) = ( 0.4534884 0.1103407 0.3164248), wk = 0.0022321 k( 384) = ( 0.4476744 0.1153987 0.3277209), wk = 0.0022321 k( 385) = ( 0.4418605 0.1204566 0.3390169), wk = 0.0022321 k( 386) = ( 0.4360465 0.1255145 0.3503129), wk = 0.0022321 k( 387) = ( 0.4302326 0.1305724 0.3616089), wk = 0.0022321 k( 388) = ( 0.4244186 0.1356304 0.3729050), wk = 0.0022321 k( 389) = ( 0.4186047 0.1406883 0.3842010), wk = 0.0022321 k( 390) = ( 0.4127907 0.1457462 0.3954970), wk = 0.0022321 k( 391) = ( 0.4069767 0.1508042 0.4067931), wk = 0.0022321 k( 392) = ( 0.4011628 0.1558621 0.4180891), wk = 0.0022321 k( 393) = ( 0.3953488 0.1609200 0.4293851), wk = 0.0022321 k( 394) = ( 0.3895349 0.1659780 0.4406812), wk = 0.0022321 k( 395) = ( 0.3837209 0.1710359 0.4519772), wk = 0.0022321 k( 396) = ( 0.3779070 0.1760938 0.4632732), wk = 0.0022321 k( 397) = ( 0.3720930 0.1811517 0.4745693), wk = 0.0022321 k( 398) = ( 0.3662791 0.1862097 0.4858653), wk = 0.0022321 k( 399) = ( 0.3604651 0.1912676 0.4971613), wk = 0.0022321 k( 400) = ( 0.3546512 0.1963255 0.5084574), wk = 0.0022321 k( 401) = ( 0.3488372 0.2013835 0.5197534), wk = 0.0022321 k( 402) = ( 0.3430233 0.2064414 0.5310494), wk = 0.0022321 k( 403) = ( 0.3372093 0.2114993 0.5423455), wk = 0.0022321 k( 404) = ( 0.3313953 0.2165572 0.5536415), wk = 0.0022321 k( 405) = ( 0.3255814 0.2216152 0.5649375), wk = 0.0022321 k( 406) = ( 0.3197674 0.2266731 0.5762336), wk = 0.0022321 k( 407) = ( 0.3139535 0.2317310 0.5875296), wk = 0.0022321 k( 408) = ( 0.3081395 0.2367890 0.5988257), wk = 0.0022321 k( 409) = ( 0.3023256 0.2418469 0.6101217), wk = 0.0022321 k( 410) = ( 0.2965116 0.2469048 0.6214177), wk = 0.0022321 k( 411) = ( 0.2906977 0.2519628 0.6327137), wk = 0.0022321 k( 412) = ( 0.2848837 0.2570207 0.6440098), wk = 0.0022321 k( 413) = ( 0.2790698 0.2620786 0.6553058), wk = 0.0022321 k( 414) = ( 0.2732558 0.2671365 0.6666018), wk = 0.0022321 k( 415) = ( 0.2674419 0.2721945 0.6778979), wk = 0.0022321 k( 416) = ( 0.2616279 0.2772524 0.6891939), wk = 0.0022321 k( 417) = ( 0.2558140 0.2823103 0.7004899), wk = 0.0022321 k( 418) = ( 0.2500000 0.2873683 0.7117860), wk = 0.0022321 k( 419) = ( 0.3303221 -0.2873683 0.7117860), wk = 0.0022321 k( 420) = ( 0.3361258 -0.2924173 0.7005098), wk = 0.0022321 k( 421) = ( 0.3419295 -0.2974663 0.6892337), wk = 0.0022321 k( 422) = ( 0.3477332 -0.3025153 0.6779576), wk = 0.0022321 k( 423) = ( 0.3535369 -0.3075643 0.6666814), wk = 0.0022321 k( 424) = ( 0.3593406 -0.3126134 0.6554053), wk = 0.0022321 k( 425) = ( 0.3651443 -0.3176624 0.6441292), wk = 0.0022321 k( 426) = ( 0.3709480 -0.3227114 0.6328530), wk = 0.0022321 k( 427) = ( 0.3767518 -0.3277604 0.6215769), wk = 0.0022321 k( 428) = ( 0.3825555 -0.3328094 0.6103008), wk = 0.0022321 k( 429) = ( 0.3883592 -0.3378585 0.5990246), wk = 0.0022321 k( 430) = ( 0.3941629 -0.3429075 0.5877485), wk = 0.0022321 k( 431) = ( 0.3999666 -0.3479565 0.5764724), wk = 0.0022321 k( 432) = ( 0.4057703 -0.3530055 0.5651962), wk = 0.0022321 k( 433) = ( 0.4115740 -0.3580545 0.5539201), wk = 0.0022321 k( 434) = ( 0.4173777 -0.3631036 0.5426439), wk = 0.0022321 k( 435) = ( 0.4231815 -0.3681526 0.5313678), wk = 0.0022321 k( 436) = ( 0.4289852 -0.3732016 0.5200917), wk = 0.0022321 k( 437) = ( 0.4347889 -0.3782506 0.5088155), wk = 0.0022321 k( 438) = ( 0.4405926 -0.3832996 0.4975394), wk = 0.0022321 k( 439) = ( 0.4463963 -0.3883487 0.4862633), wk = 0.0022321 k( 440) = ( 0.4522000 -0.3933977 0.4749871), wk = 0.0022321 k( 441) = ( 0.4580037 -0.3984467 0.4637110), wk = 0.0022321 k( 442) = ( 0.4638075 -0.4034957 0.4524349), wk = 0.0022321 k( 443) = ( 0.4696112 -0.4085447 0.4411587), wk = 0.0022321 k( 444) = ( 0.4754149 -0.4135938 0.4298826), wk = 0.0022321 k( 445) = ( 0.5245851 0.5533483 0.0222305), wk = 0.0022321 k( 446) = ( 0.5163901 0.5604777 0.0148203), wk = 0.0022321 k( 447) = ( 0.5081950 0.5676071 0.0074102), wk = 0.0022321 k( 448) = ( 0.5000000 0.5747365 -0.0000000), wk = 0.0022321 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 2) = ( -0.0058182 0.0058181 0.0058181), wk = 0.0022321 k( 3) = ( -0.0116363 0.0116363 0.0116363), wk = 0.0022321 k( 4) = ( -0.0174544 0.0174544 0.0174544), wk = 0.0022321 k( 5) = ( -0.0232726 0.0232726 0.0232726), wk = 0.0022321 k( 6) = ( -0.0290907 0.0290907 0.0290907), wk = 0.0022321 k( 7) = ( -0.0349089 0.0349089 0.0349089), wk = 0.0022321 k( 8) = ( -0.0407271 0.0407271 0.0407271), wk = 0.0022321 k( 9) = ( -0.0465452 0.0465452 0.0465452), wk = 0.0022321 k( 10) = ( -0.0523634 0.0523634 0.0523634), wk = 0.0022321 k( 11) = ( -0.0581815 0.0581815 0.0581815), wk = 0.0022321 k( 12) = ( -0.0639997 0.0639997 0.0639997), wk = 0.0022321 k( 13) = ( -0.0698178 0.0698178 0.0698178), wk = 0.0022321 k( 14) = ( -0.0756360 0.0756360 0.0756360), wk = 0.0022321 k( 15) = ( -0.0814541 0.0814541 0.0814541), wk = 0.0022321 k( 16) = ( -0.0872723 0.0872723 0.0872723), wk = 0.0022321 k( 17) = ( -0.0930904 0.0930904 0.0930904), wk = 0.0022321 k( 18) = ( -0.0989086 0.0989086 0.0989086), wk = 0.0022321 k( 19) = ( -0.1047267 0.1047267 0.1047267), wk = 0.0022321 k( 20) = ( -0.1105449 0.1105449 0.1105449), wk = 0.0022321 k( 21) = ( -0.1163630 0.1163630 0.1163630), wk = 0.0022321 k( 22) = ( -0.1221812 0.1221812 0.1221812), wk = 0.0022321 k( 23) = ( -0.1279993 0.1279993 0.1279993), wk = 0.0022321 k( 24) = ( -0.1338175 0.1338175 0.1338175), wk = 0.0022321 k( 25) = ( -0.1396356 0.1396356 0.1396356), wk = 0.0022321 k( 26) = ( -0.1454538 0.1454538 0.1454538), wk = 0.0022321 k( 27) = ( -0.1512719 0.1512719 0.1512719), wk = 0.0022321 k( 28) = ( -0.1570901 0.1570901 0.1570901), wk = 0.0022321 k( 29) = ( -0.1629082 0.1629082 0.1629082), wk = 0.0022321 k( 30) = ( -0.1687264 0.1687264 0.1687264), wk = 0.0022321 k( 31) = ( -0.1745445 0.1745445 0.1745445), wk = 0.0022321 k( 32) = ( -0.1803627 0.1803627 0.1803627), wk = 0.0022321 k( 33) = ( -0.1861808 0.1861808 0.1861808), wk = 0.0022321 k( 34) = ( -0.1919990 0.1919990 0.1919990), wk = 0.0022321 k( 35) = ( -0.1978171 0.1978171 0.1978171), wk = 0.0022321 k( 36) = ( -0.2036353 0.2036353 0.2036353), wk = 0.0022321 k( 37) = ( -0.2094534 0.2094534 0.2094534), wk = 0.0022321 k( 38) = ( -0.2152716 0.2152716 0.2152716), wk = 0.0022321 k( 39) = ( -0.2210897 0.2210897 0.2210897), wk = 0.0022321 k( 40) = ( -0.2269079 0.2269079 0.2269079), wk = 0.0022321 k( 41) = ( -0.2327260 0.2327260 0.2327260), wk = 0.0022321 k( 42) = ( -0.2385442 0.2385442 0.2385442), wk = 0.0022321 k( 43) = ( -0.2443623 0.2443623 0.2443623), wk = 0.0022321 k( 44) = ( -0.2501805 0.2501805 0.2501805), wk = 0.0022321 k( 45) = ( -0.2559986 0.2559986 0.2559986), wk = 0.0022321 k( 46) = ( -0.2618168 0.2618168 0.2618168), wk = 0.0022321 k( 47) = ( -0.2676349 0.2676349 0.2676349), wk = 0.0022321 k( 48) = ( -0.2734531 0.2734531 0.2734531), wk = 0.0022321 k( 49) = ( -0.2792712 0.2792712 0.2792712), wk = 0.0022321 k( 50) = ( -0.2850894 0.2850894 0.2850894), wk = 0.0022321 k( 51) = ( -0.2909075 0.2909075 0.2909075), wk = 0.0022321 k( 52) = ( -0.2967257 0.2967257 0.2967257), wk = 0.0022321 k( 53) = ( -0.3025438 0.3025438 0.3025438), wk = 0.0022321 k( 54) = ( -0.3083620 0.3083620 0.3083620), wk = 0.0022321 k( 55) = ( -0.3141801 0.3141801 0.3141801), wk = 0.0022321 k( 56) = ( -0.3199983 0.3199983 0.3199983), wk = 0.0022321 k( 57) = ( -0.3258164 0.3258164 0.3258164), wk = 0.0022321 k( 58) = ( -0.3316346 0.3316346 0.3316346), wk = 0.0022321 k( 59) = ( -0.3374527 0.3374527 0.3374527), wk = 0.0022321 k( 60) = ( -0.3432709 0.3432709 0.3432709), wk = 0.0022321 k( 61) = ( -0.3490891 0.3490890 0.3490891), wk = 0.0022321 k( 62) = ( -0.3549072 0.3549072 0.3549072), wk = 0.0022321 k( 63) = ( -0.3549072 0.3549072 0.3549072), wk = 0.0022321 k( 64) = ( -0.3467121 0.3467121 0.3631022), wk = 0.0022321 k( 65) = ( -0.3385171 0.3385171 0.3712973), wk = 0.0022321 k( 66) = ( -0.3303221 0.3303221 0.3794923), wk = 0.0022321 k( 67) = ( -0.3303221 0.3303221 0.3794923), wk = 0.0022321 k( 68) = ( -0.3199995 0.3199995 0.3832582), wk = 0.0022321 k( 69) = ( -0.3096769 0.3096769 0.3870241), wk = 0.0022321 k( 70) = ( -0.2993544 0.2993544 0.3907899), wk = 0.0022321 k( 71) = ( -0.2890318 0.2890318 0.3945558), wk = 0.0022321 k( 72) = ( -0.2787093 0.2787093 0.3983216), wk = 0.0022321 k( 73) = ( -0.2683867 0.2683867 0.4020875), wk = 0.0022321 k( 74) = ( -0.2580641 0.2580641 0.4058534), wk = 0.0022321 k( 75) = ( -0.2477416 0.2477415 0.4096192), wk = 0.0022321 k( 76) = ( -0.2374190 0.2374190 0.4133851), wk = 0.0022321 k( 77) = ( -0.2270964 0.2270964 0.4171510), wk = 0.0022321 k( 78) = ( -0.2167739 0.2167739 0.4209168), wk = 0.0022321 k( 79) = ( -0.2064513 0.2064513 0.4246827), wk = 0.0022321 k( 80) = ( -0.1961287 0.1961287 0.4284486), wk = 0.0022321 k( 81) = ( -0.1858062 0.1858062 0.4322144), wk = 0.0022321 k( 82) = ( -0.1754836 0.1754836 0.4359803), wk = 0.0022321 k( 83) = ( -0.1651610 0.1651610 0.4397462), wk = 0.0022321 k( 84) = ( -0.1548385 0.1548385 0.4435120), wk = 0.0022321 k( 85) = ( -0.1445159 0.1445159 0.4472779), wk = 0.0022321 k( 86) = ( -0.1341933 0.1341933 0.4510438), wk = 0.0022321 k( 87) = ( -0.1238708 0.1238708 0.4548096), wk = 0.0022321 k( 88) = ( -0.1135482 0.1135482 0.4585755), wk = 0.0022321 k( 89) = ( -0.1032257 0.1032257 0.4623413), wk = 0.0022321 k( 90) = ( -0.0929031 0.0929031 0.4661072), wk = 0.0022321 k( 91) = ( -0.0825805 0.0825805 0.4698731), wk = 0.0022321 k( 92) = ( -0.0722580 0.0722579 0.4736389), wk = 0.0022321 k( 93) = ( -0.0619354 0.0619354 0.4774048), wk = 0.0022321 k( 94) = ( -0.0516128 0.0516128 0.4811707), wk = 0.0022321 k( 95) = ( -0.0412903 0.0412903 0.4849365), wk = 0.0022321 k( 96) = ( -0.0309677 0.0309677 0.4887024), wk = 0.0022321 k( 97) = ( -0.0206451 0.0206451 0.4924683), wk = 0.0022321 k( 98) = ( -0.0103226 0.0103226 0.4962341), wk = 0.0022321 k( 99) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 100) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 101) = ( 0.0089286 0.0089286 0.4910714), wk = 0.0022321 k( 102) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0022321 k( 103) = ( 0.0267857 0.0267857 0.4732143), wk = 0.0022321 k( 104) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0022321 k( 105) = ( 0.0446429 0.0446429 0.4553571), wk = 0.0022321 k( 106) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0022321 k( 107) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0022321 k( 108) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0022321 k( 109) = ( 0.0803571 0.0803571 0.4196429), wk = 0.0022321 k( 110) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0022321 k( 111) = ( 0.0982143 0.0982143 0.4017857), wk = 0.0022321 k( 112) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0022321 k( 113) = ( 0.1160714 0.1160714 0.3839286), wk = 0.0022321 k( 114) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0022321 k( 115) = ( 0.1339286 0.1339286 0.3660714), wk = 0.0022321 k( 116) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0022321 k( 117) = ( 0.1517857 0.1517857 0.3482143), wk = 0.0022321 k( 118) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0022321 k( 119) = ( 0.1696429 0.1696429 0.3303571), wk = 0.0022321 k( 120) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0022321 k( 121) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0022321 k( 122) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0022321 k( 123) = ( 0.2053571 0.2053571 0.2946429), wk = 0.0022321 k( 124) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0022321 k( 125) = ( 0.2232143 0.2232143 0.2767857), wk = 0.0022321 k( 126) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0022321 k( 127) = ( 0.2410714 0.2410714 0.2589286), wk = 0.0022321 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022321 k( 129) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022321 k( 130) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0022321 k( 131) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0022321 k( 132) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0022321 k( 133) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0022321 k( 134) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0022321 k( 135) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0022321 k( 136) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0022321 k( 137) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0022321 k( 138) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0022321 k( 139) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0022321 k( 140) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0022321 k( 141) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0022321 k( 142) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0022321 k( 143) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0022321 k( 144) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0022321 k( 145) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0022321 k( 146) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0022321 k( 147) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0022321 k( 148) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0022321 k( 149) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0022321 k( 150) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0022321 k( 151) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0022321 k( 152) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0022321 k( 153) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0022321 k( 154) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0022321 k( 155) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0022321 k( 156) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0022321 k( 157) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0022321 k( 158) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0022321 k( 159) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022321 k( 160) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022321 k( 161) = ( 0.0104385 0.5042674 -0.0104384), wk = 0.0022321 k( 162) = ( 0.0208769 0.5085349 -0.0208769), wk = 0.0022321 k( 163) = ( 0.0313153 0.5128023 -0.0313153), wk = 0.0022321 k( 164) = ( 0.0417538 0.5170697 -0.0417538), wk = 0.0022321 k( 165) = ( 0.0521922 0.5213372 -0.0521922), wk = 0.0022321 k( 166) = ( 0.0626307 0.5256046 -0.0626307), wk = 0.0022321 k( 167) = ( 0.0730691 0.5298720 -0.0730691), wk = 0.0022321 k( 168) = ( 0.0835076 0.5341395 -0.0835076), wk = 0.0022321 k( 169) = ( 0.0939460 0.5384069 -0.0939460), wk = 0.0022321 k( 170) = ( 0.1043845 0.5426743 -0.1043845), wk = 0.0022321 k( 171) = ( 0.1148229 0.5469418 -0.1148229), wk = 0.0022321 k( 172) = ( 0.1252614 0.5512092 -0.1252614), wk = 0.0022321 k( 173) = ( 0.1356998 0.5554767 -0.1356998), wk = 0.0022321 k( 174) = ( 0.1461383 0.5597441 -0.1461383), wk = 0.0022321 k( 175) = ( 0.1565767 0.5640115 -0.1565767), wk = 0.0022321 k( 176) = ( 0.1670152 0.5682790 -0.1670151), wk = 0.0022321 k( 177) = ( 0.1774536 0.5725464 -0.1774536), wk = 0.0022321 k( 178) = ( 0.1878921 0.5768138 -0.1878921), wk = 0.0022321 k( 179) = ( 0.1983305 0.5810813 -0.1983305), wk = 0.0022321 k( 180) = ( 0.2087689 0.5853487 -0.2087689), wk = 0.0022321 k( 181) = ( 0.2192074 0.5896161 -0.2192074), wk = 0.0022321 k( 182) = ( 0.2296458 0.5938836 -0.2296458), wk = 0.0022321 k( 183) = ( 0.2400843 0.5981510 -0.2400843), wk = 0.0022321 k( 184) = ( 0.2505227 0.6024185 -0.2505227), wk = 0.0022321 k( 185) = ( 0.2609612 0.6066859 -0.2609612), wk = 0.0022321 k( 186) = ( 0.2713996 0.6109533 -0.2713996), wk = 0.0022321 k( 187) = ( 0.2818381 0.6152208 -0.2818381), wk = 0.0022321 k( 188) = ( 0.2922765 0.6194882 -0.2922765), wk = 0.0022321 k( 189) = ( 0.3027150 0.6237556 -0.3027150), wk = 0.0022321 k( 190) = ( 0.3131534 0.6280231 -0.3131534), wk = 0.0022321 k( 191) = ( 0.3235919 0.6322905 -0.3235919), wk = 0.0022321 k( 192) = ( 0.3340303 0.6365579 -0.3340303), wk = 0.0022321 k( 193) = ( 0.3444687 0.6408254 -0.3444688), wk = 0.0022321 k( 194) = ( 0.3549072 0.6450928 -0.3549072), wk = 0.0022321 k( 195) = ( 0.3549072 0.6450928 -0.3549072), wk = 0.0022321 k( 196) = ( 0.3607109 0.6392891 -0.3607109), wk = 0.0022321 k( 197) = ( 0.3665146 0.6334854 -0.3665146), wk = 0.0022321 k( 198) = ( 0.3723183 0.6276817 -0.3723183), wk = 0.0022321 k( 199) = ( 0.3781220 0.6218779 -0.3781220), wk = 0.0022321 k( 200) = ( 0.3839258 0.6160742 -0.3839258), wk = 0.0022321 k( 201) = ( 0.3897295 0.6102705 -0.3897295), wk = 0.0022321 k( 202) = ( 0.3955332 0.6044668 -0.3955332), wk = 0.0022321 k( 203) = ( 0.4013369 0.5986631 -0.4013369), wk = 0.0022321 k( 204) = ( 0.4071406 0.5928594 -0.4071406), wk = 0.0022321 k( 205) = ( 0.4129443 0.5870557 -0.4129443), wk = 0.0022321 k( 206) = ( 0.4187480 0.5812520 -0.4187480), wk = 0.0022321 k( 207) = ( 0.4245517 0.5754483 -0.4245517), wk = 0.0022321 k( 208) = ( 0.4303554 0.5696445 -0.4303554), wk = 0.0022321 k( 209) = ( 0.4361592 0.5638408 -0.4361592), wk = 0.0022321 k( 210) = ( 0.4419629 0.5580371 -0.4419629), wk = 0.0022321 k( 211) = ( 0.4477666 0.5522334 -0.4477666), wk = 0.0022321 k( 212) = ( 0.4535703 0.5464297 -0.4535703), wk = 0.0022321 k( 213) = ( 0.4593740 0.5406260 -0.4593740), wk = 0.0022321 k( 214) = ( 0.4651777 0.5348223 -0.4651777), wk = 0.0022321 k( 215) = ( 0.4709814 0.5290186 -0.4709814), wk = 0.0022321 k( 216) = ( 0.4767851 0.5232148 -0.4767851), wk = 0.0022321 k( 217) = ( 0.4825889 0.5174111 -0.4825889), wk = 0.0022321 k( 218) = ( 0.4883926 0.5116074 -0.4883926), wk = 0.0022321 k( 219) = ( 0.4941963 0.5058037 -0.4941963), wk = 0.0022321 k( 220) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022321 k( 221) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022321 k( 222) = ( 0.4910714 0.4910714 -0.4910714), wk = 0.0022321 k( 223) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0022321 k( 224) = ( 0.4732143 0.4732143 -0.4732143), wk = 0.0022321 k( 225) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0022321 k( 226) = ( 0.4553571 0.4553571 -0.4553571), wk = 0.0022321 k( 227) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0022321 k( 228) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0022321 k( 229) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0022321 k( 230) = ( 0.4196429 0.4196429 -0.4196429), wk = 0.0022321 k( 231) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0022321 k( 232) = ( 0.4017857 0.4017857 -0.4017857), wk = 0.0022321 k( 233) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0022321 k( 234) = ( 0.3839286 0.3839286 -0.3839286), wk = 0.0022321 k( 235) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0022321 k( 236) = ( 0.3660714 0.3660714 -0.3660714), wk = 0.0022321 k( 237) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0022321 k( 238) = ( 0.3482143 0.3482143 -0.3482143), wk = 0.0022321 k( 239) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0022321 k( 240) = ( 0.3303571 0.3303571 -0.3303571), wk = 0.0022321 k( 241) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0022321 k( 242) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0022321 k( 243) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0022321 k( 244) = ( 0.2946429 0.2946429 -0.2946429), wk = 0.0022321 k( 245) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0022321 k( 246) = ( 0.2767857 0.2767857 -0.2767857), wk = 0.0022321 k( 247) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0022321 k( 248) = ( 0.2589286 0.2589286 -0.2589286), wk = 0.0022321 k( 249) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0022321 k( 250) = ( 0.2410714 0.2410714 -0.2410714), wk = 0.0022321 k( 251) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0022321 k( 252) = ( 0.2232143 0.2232143 -0.2232143), wk = 0.0022321 k( 253) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0022321 k( 254) = ( 0.2053571 0.2053571 -0.2053571), wk = 0.0022321 k( 255) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0022321 k( 256) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0022321 k( 257) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0022321 k( 258) = ( 0.1696429 0.1696429 -0.1696429), wk = 0.0022321 k( 259) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0022321 k( 260) = ( 0.1517857 0.1517857 -0.1517857), wk = 0.0022321 k( 261) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0022321 k( 262) = ( 0.1339286 0.1339286 -0.1339286), wk = 0.0022321 k( 263) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0022321 k( 264) = ( 0.1160714 0.1160714 -0.1160714), wk = 0.0022321 k( 265) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0022321 k( 266) = ( 0.0982143 0.0982143 -0.0982143), wk = 0.0022321 k( 267) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0022321 k( 268) = ( 0.0803571 0.0803571 -0.0803571), wk = 0.0022321 k( 269) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0022321 k( 270) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0022321 k( 271) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0022321 k( 272) = ( 0.0446429 0.0446429 -0.0446429), wk = 0.0022321 k( 273) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0022321 k( 274) = ( 0.0267857 0.0267857 -0.0267857), wk = 0.0022321 k( 275) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0022321 k( 276) = ( 0.0089286 0.0089286 -0.0089286), wk = 0.0022321 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 279) = ( 0.0084896 -0.0084895 0.0084895), wk = 0.0022321 k( 280) = ( 0.0169791 -0.0169791 0.0169791), wk = 0.0022321 k( 281) = ( 0.0254686 -0.0254686 0.0254686), wk = 0.0022321 k( 282) = ( 0.0339582 -0.0339582 0.0339582), wk = 0.0022321 k( 283) = ( 0.0424478 -0.0424478 0.0424478), wk = 0.0022321 k( 284) = ( 0.0509373 -0.0509373 0.0509373), wk = 0.0022321 k( 285) = ( 0.0594269 -0.0594269 0.0594269), wk = 0.0022321 k( 286) = ( 0.0679164 -0.0679164 0.0679164), wk = 0.0022321 k( 287) = ( 0.0764060 -0.0764060 0.0764060), wk = 0.0022321 k( 288) = ( 0.0848955 -0.0848955 0.0848955), wk = 0.0022321 k( 289) = ( 0.0933851 -0.0933851 0.0933851), wk = 0.0022321 k( 290) = ( 0.1018746 -0.1018746 0.1018746), wk = 0.0022321 k( 291) = ( 0.1103642 -0.1103642 0.1103642), wk = 0.0022321 k( 292) = ( 0.1188537 -0.1188537 0.1188537), wk = 0.0022321 k( 293) = ( 0.1273433 -0.1273433 0.1273433), wk = 0.0022321 k( 294) = ( 0.1358328 -0.1358328 0.1358328), wk = 0.0022321 k( 295) = ( 0.1443224 -0.1443224 0.1443224), wk = 0.0022321 k( 296) = ( 0.1528119 -0.1528119 0.1528119), wk = 0.0022321 k( 297) = ( 0.1613015 -0.1613015 0.1613015), wk = 0.0022321 k( 298) = ( 0.1697910 -0.1697910 0.1697910), wk = 0.0022321 k( 299) = ( 0.1782806 -0.1782806 0.1782806), wk = 0.0022321 k( 300) = ( 0.1867701 -0.1867701 0.1867701), wk = 0.0022321 k( 301) = ( 0.1952597 -0.1952597 0.1952597), wk = 0.0022321 k( 302) = ( 0.2037492 -0.2037492 0.2037492), wk = 0.0022321 k( 303) = ( 0.2122388 -0.2122388 0.2122388), wk = 0.0022321 k( 304) = ( 0.2207283 -0.2207283 0.2207283), wk = 0.0022321 k( 305) = ( 0.2292179 -0.2292179 0.2292179), wk = 0.0022321 k( 306) = ( 0.2377074 -0.2377074 0.2377074), wk = 0.0022321 k( 307) = ( 0.2461970 -0.2461970 0.2461970), wk = 0.0022321 k( 308) = ( 0.2546865 -0.2546865 0.2546865), wk = 0.0022321 k( 309) = ( 0.2631761 -0.2631761 0.2631761), wk = 0.0022321 k( 310) = ( 0.2716656 -0.2716656 0.2716656), wk = 0.0022321 k( 311) = ( 0.2801552 -0.2801552 0.2801552), wk = 0.0022321 k( 312) = ( 0.2886447 -0.2886447 0.2886447), wk = 0.0022321 k( 313) = ( 0.2971343 -0.2971343 0.2971343), wk = 0.0022321 k( 314) = ( 0.3056238 -0.3056238 0.3056238), wk = 0.0022321 k( 315) = ( 0.3141134 -0.3141134 0.3141134), wk = 0.0022321 k( 316) = ( 0.3226029 -0.3226029 0.3226029), wk = 0.0022321 k( 317) = ( 0.3310925 -0.3310925 0.3310925), wk = 0.0022321 k( 318) = ( 0.3395821 -0.3395820 0.3395820), wk = 0.0022321 k( 319) = ( 0.3480716 -0.3480716 0.3480716), wk = 0.0022321 k( 320) = ( 0.3565611 -0.3565611 0.3565611), wk = 0.0022321 k( 321) = ( 0.3650507 -0.3650507 0.3650507), wk = 0.0022321 k( 322) = ( 0.3735403 -0.3735403 0.3735403), wk = 0.0022321 k( 323) = ( 0.3820298 -0.3820298 0.3820298), wk = 0.0022321 k( 324) = ( 0.3905194 -0.3905194 0.3905194), wk = 0.0022321 k( 325) = ( 0.3990089 -0.3990089 0.3990089), wk = 0.0022321 k( 326) = ( 0.4074985 -0.4074985 0.4074985), wk = 0.0022321 k( 327) = ( 0.4159880 -0.4159880 0.4159880), wk = 0.0022321 k( 328) = ( 0.4244776 -0.4244776 0.4244776), wk = 0.0022321 k( 329) = ( 0.4329671 -0.4329671 0.4329671), wk = 0.0022321 k( 330) = ( 0.4414567 -0.4414567 0.4414567), wk = 0.0022321 k( 331) = ( 0.4499462 -0.4499462 0.4499462), wk = 0.0022321 k( 332) = ( 0.4584358 -0.4584358 0.4584358), wk = 0.0022321 k( 333) = ( 0.4669253 -0.4669253 0.4669253), wk = 0.0022321 k( 334) = ( 0.4754149 -0.4754149 0.4754149), wk = 0.0022321 k( 335) = ( 0.4754149 -0.4754149 0.4754149), wk = 0.0022321 k( 336) = ( 0.4760453 -0.4632247 0.4632247), wk = 0.0022321 k( 337) = ( 0.4766757 -0.4510346 0.4510346), wk = 0.0022321 k( 338) = ( 0.4773060 -0.4388445 0.4388445), wk = 0.0022321 k( 339) = ( 0.4779364 -0.4266544 0.4266544), wk = 0.0022321 k( 340) = ( 0.4785668 -0.4144642 0.4144642), wk = 0.0022321 k( 341) = ( 0.4791972 -0.4022741 0.4022741), wk = 0.0022321 k( 342) = ( 0.4798276 -0.3900840 0.3900840), wk = 0.0022321 k( 343) = ( 0.4804580 -0.3778939 0.3778939), wk = 0.0022321 k( 344) = ( 0.4810884 -0.3657037 0.3657037), wk = 0.0022321 k( 345) = ( 0.4817187 -0.3535136 0.3535136), wk = 0.0022321 k( 346) = ( 0.4823491 -0.3413235 0.3413235), wk = 0.0022321 k( 347) = ( 0.4829795 -0.3291334 0.3291334), wk = 0.0022321 k( 348) = ( 0.4836099 -0.3169433 0.3169433), wk = 0.0022321 k( 349) = ( 0.4842403 -0.3047531 0.3047531), wk = 0.0022321 k( 350) = ( 0.4848707 -0.2925630 0.2925630), wk = 0.0022321 k( 351) = ( 0.4855011 -0.2803729 0.2803729), wk = 0.0022321 k( 352) = ( 0.4861315 -0.2681828 0.2681827), wk = 0.0022321 k( 353) = ( 0.4867618 -0.2559926 0.2559926), wk = 0.0022321 k( 354) = ( 0.4873922 -0.2438025 0.2438025), wk = 0.0022321 k( 355) = ( 0.4880226 -0.2316124 0.2316124), wk = 0.0022321 k( 356) = ( 0.4886530 -0.2194222 0.2194222), wk = 0.0022321 k( 357) = ( 0.4892834 -0.2072321 0.2072321), wk = 0.0022321 k( 358) = ( 0.4899138 -0.1950420 0.1950420), wk = 0.0022321 k( 359) = ( 0.4905442 -0.1828519 0.1828519), wk = 0.0022321 k( 360) = ( 0.4911746 -0.1706617 0.1706617), wk = 0.0022321 k( 361) = ( 0.4918050 -0.1584716 0.1584716), wk = 0.0022321 k( 362) = ( 0.4924353 -0.1462815 0.1462815), wk = 0.0022321 k( 363) = ( 0.4930657 -0.1340914 0.1340914), wk = 0.0022321 k( 364) = ( 0.4936961 -0.1219012 0.1219012), wk = 0.0022321 k( 365) = ( 0.4943265 -0.1097111 0.1097111), wk = 0.0022321 k( 366) = ( 0.4949569 -0.0975210 0.0975210), wk = 0.0022321 k( 367) = ( 0.4955873 -0.0853309 0.0853309), wk = 0.0022321 k( 368) = ( 0.4962177 -0.0731408 0.0731407), wk = 0.0022321 k( 369) = ( 0.4968481 -0.0609506 0.0609506), wk = 0.0022321 k( 370) = ( 0.4974785 -0.0487605 0.0487605), wk = 0.0022321 k( 371) = ( 0.4981088 -0.0365704 0.0365704), wk = 0.0022321 k( 372) = ( 0.4987392 -0.0243802 0.0243802), wk = 0.0022321 k( 373) = ( 0.4993696 -0.0121901 0.0121901), wk = 0.0022321 k( 374) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0022321 k( 375) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0022321 k( 376) = ( 0.4941860 0.0058139 0.0058139), wk = 0.0022321 k( 377) = ( 0.4883721 0.0116279 0.0116279), wk = 0.0022321 k( 378) = ( 0.4825581 0.0174419 0.0174419), wk = 0.0022321 k( 379) = ( 0.4767442 0.0232558 0.0232558), wk = 0.0022321 k( 380) = ( 0.4709302 0.0290698 0.0290698), wk = 0.0022321 k( 381) = ( 0.4651163 0.0348837 0.0348837), wk = 0.0022321 k( 382) = ( 0.4593023 0.0406977 0.0406977), wk = 0.0022321 k( 383) = ( 0.4534884 0.0465116 0.0465116), wk = 0.0022321 k( 384) = ( 0.4476744 0.0523256 0.0523256), wk = 0.0022321 k( 385) = ( 0.4418605 0.0581395 0.0581395), wk = 0.0022321 k( 386) = ( 0.4360465 0.0639535 0.0639535), wk = 0.0022321 k( 387) = ( 0.4302326 0.0697674 0.0697674), wk = 0.0022321 k( 388) = ( 0.4244186 0.0755814 0.0755814), wk = 0.0022321 k( 389) = ( 0.4186047 0.0813953 0.0813953), wk = 0.0022321 k( 390) = ( 0.4127907 0.0872093 0.0872093), wk = 0.0022321 k( 391) = ( 0.4069767 0.0930233 0.0930233), wk = 0.0022321 k( 392) = ( 0.4011628 0.0988372 0.0988372), wk = 0.0022321 k( 393) = ( 0.3953488 0.1046512 0.1046512), wk = 0.0022321 k( 394) = ( 0.3895349 0.1104651 0.1104651), wk = 0.0022321 k( 395) = ( 0.3837209 0.1162791 0.1162791), wk = 0.0022321 k( 396) = ( 0.3779070 0.1220930 0.1220930), wk = 0.0022321 k( 397) = ( 0.3720930 0.1279070 0.1279070), wk = 0.0022321 k( 398) = ( 0.3662791 0.1337209 0.1337209), wk = 0.0022321 k( 399) = ( 0.3604651 0.1395349 0.1395349), wk = 0.0022321 k( 400) = ( 0.3546512 0.1453488 0.1453488), wk = 0.0022321 k( 401) = ( 0.3488372 0.1511628 0.1511628), wk = 0.0022321 k( 402) = ( 0.3430233 0.1569767 0.1569767), wk = 0.0022321 k( 403) = ( 0.3372093 0.1627907 0.1627907), wk = 0.0022321 k( 404) = ( 0.3313953 0.1686046 0.1686046), wk = 0.0022321 k( 405) = ( 0.3255814 0.1744186 0.1744186), wk = 0.0022321 k( 406) = ( 0.3197674 0.1802326 0.1802326), wk = 0.0022321 k( 407) = ( 0.3139535 0.1860465 0.1860465), wk = 0.0022321 k( 408) = ( 0.3081395 0.1918605 0.1918605), wk = 0.0022321 k( 409) = ( 0.3023256 0.1976744 0.1976744), wk = 0.0022321 k( 410) = ( 0.2965116 0.2034884 0.2034884), wk = 0.0022321 k( 411) = ( 0.2906977 0.2093023 0.2093023), wk = 0.0022321 k( 412) = ( 0.2848837 0.2151163 0.2151163), wk = 0.0022321 k( 413) = ( 0.2790698 0.2209302 0.2209302), wk = 0.0022321 k( 414) = ( 0.2732558 0.2267442 0.2267442), wk = 0.0022321 k( 415) = ( 0.2674419 0.2325581 0.2325581), wk = 0.0022321 k( 416) = ( 0.2616279 0.2383721 0.2383721), wk = 0.0022321 k( 417) = ( 0.2558140 0.2441860 0.2441860), wk = 0.0022321 k( 418) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022321 k( 419) = ( 0.3303221 -0.3303221 0.6205077), wk = 0.0022321 k( 420) = ( 0.3361258 -0.3361258 0.6147040), wk = 0.0022321 k( 421) = ( 0.3419295 -0.3419295 0.6089002), wk = 0.0022321 k( 422) = ( 0.3477332 -0.3477332 0.6030965), wk = 0.0022321 k( 423) = ( 0.3535369 -0.3535369 0.5972928), wk = 0.0022321 k( 424) = ( 0.3593406 -0.3593406 0.5914891), wk = 0.0022321 k( 425) = ( 0.3651443 -0.3651443 0.5856854), wk = 0.0022321 k( 426) = ( 0.3709480 -0.3709480 0.5798817), wk = 0.0022321 k( 427) = ( 0.3767518 -0.3767518 0.5740780), wk = 0.0022321 k( 428) = ( 0.3825555 -0.3825555 0.5682743), wk = 0.0022321 k( 429) = ( 0.3883592 -0.3883592 0.5624706), wk = 0.0022321 k( 430) = ( 0.3941629 -0.3941629 0.5566668), wk = 0.0022321 k( 431) = ( 0.3999666 -0.3999666 0.5508631), wk = 0.0022321 k( 432) = ( 0.4057703 -0.4057703 0.5450594), wk = 0.0022321 k( 433) = ( 0.4115740 -0.4115740 0.5392557), wk = 0.0022321 k( 434) = ( 0.4173777 -0.4173777 0.5334520), wk = 0.0022321 k( 435) = ( 0.4231815 -0.4231815 0.5276483), wk = 0.0022321 k( 436) = ( 0.4289852 -0.4289852 0.5218446), wk = 0.0022321 k( 437) = ( 0.4347889 -0.4347889 0.5160409), wk = 0.0022321 k( 438) = ( 0.4405926 -0.4405926 0.5102371), wk = 0.0022321 k( 439) = ( 0.4463963 -0.4463963 0.5044334), wk = 0.0022321 k( 440) = ( 0.4522000 -0.4522000 0.4986297), wk = 0.0022321 k( 441) = ( 0.4580037 -0.4580037 0.4928260), wk = 0.0022321 k( 442) = ( 0.4638075 -0.4638075 0.4870223), wk = 0.0022321 k( 443) = ( 0.4696112 -0.4696112 0.4812186), wk = 0.0022321 k( 444) = ( 0.4754149 -0.4754149 0.4754149), wk = 0.0022321 k( 445) = ( 0.5245851 0.4754149 -0.4754149), wk = 0.0022321 k( 446) = ( 0.5163901 0.4836099 -0.4836099), wk = 0.0022321 k( 447) = ( 0.5081950 0.4918050 -0.4918050), wk = 0.0022321 k( 448) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022321 Dense grid: 36849 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 27695 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 ( 706) 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= -0.000005 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 40.6 secs Computing kpt #: 2 total cpu time spent up to now is 41.7 secs Computing kpt #: 3 total cpu time spent up to now is 42.6 secs Computing kpt #: 4 total cpu time spent up to now is 43.7 secs Computing kpt #: 5 total cpu time spent up to now is 45.0 secs Computing kpt #: 6 total cpu time spent up to now is 46.2 secs Computing kpt #: 7 total cpu time spent up to now is 47.2 secs Computing kpt #: 8 total cpu time spent up to now is 48.2 secs Computing kpt #: 9 total cpu time spent up to now is 49.8 secs Computing kpt #: 10 total cpu time spent up to now is 51.0 secs Computing kpt #: 11 total cpu time spent up to now is 52.3 secs Computing kpt #: 12 total cpu time spent up to now is 53.2 secs Computing kpt #: 13 total cpu time spent up to now is 54.3 secs Computing kpt #: 14 total cpu time spent up to now is 55.2 secs Computing kpt #: 15 total cpu time spent up to now is 56.6 secs Computing kpt #: 16 total cpu time spent up to now is 57.9 secs Computing kpt #: 17 total cpu time spent up to now is 59.2 secs Computing kpt #: 18 total cpu time spent up to now is 60.4 secs Computing kpt #: 19 total cpu time spent up to now is 61.7 secs Computing kpt #: 20 total cpu time spent up to now is 62.8 secs Computing kpt #: 21 total cpu time spent up to now is 64.2 secs Computing kpt #: 22 total cpu time spent up to now is 65.6 secs Computing kpt #: 23 total cpu time spent up to now is 66.6 secs Computing kpt #: 24 total cpu time spent up to now is 67.6 secs Computing kpt #: 25 total cpu time spent up to now is 68.6 secs Computing kpt #: 26 total cpu time spent up to now is 69.6 secs Computing kpt #: 27 total cpu time spent up to now is 70.6 secs Computing kpt #: 28 total cpu time spent up to now is 71.7 secs Computing kpt #: 29 total cpu time spent up to now is 72.9 secs Computing kpt #: 30 total cpu time spent up to now is 74.1 secs Computing kpt #: 31 total cpu time spent up to now is 75.4 secs Computing kpt #: 32 total cpu time spent up to now is 76.4 secs Computing kpt #: 33 total cpu time spent up to now is 77.2 secs Computing kpt #: 34 total cpu time spent up to now is 78.0 secs Computing kpt #: 35 total cpu time spent up to now is 78.7 secs Computing kpt #: 36 total cpu time spent up to now is 79.5 secs Computing kpt #: 37 total cpu time spent up to now is 80.2 secs Computing kpt #: 38 total cpu time spent up to now is 81.0 secs Computing kpt #: 39 total cpu time spent up to now is 82.1 secs Computing kpt #: 40 total cpu time spent up to now is 83.0 secs Computing kpt #: 41 total cpu time spent up to now is 83.7 secs Computing kpt #: 42 total cpu time spent up to now is 84.4 secs Computing kpt #: 43 total cpu time spent up to now is 85.1 secs Computing kpt #: 44 total cpu time spent up to now is 85.8 secs Computing kpt #: 45 total cpu time spent up to now is 86.7 secs Computing kpt #: 46 total cpu time spent up to now is 87.5 secs Computing kpt #: 47 total cpu time spent up to now is 88.3 secs Computing kpt #: 48 total cpu time spent up to now is 89.1 secs Computing kpt #: 49 total cpu time spent up to now is 90.0 secs Computing kpt #: 50 total cpu time spent up to now is 91.2 secs Computing kpt #: 51 total cpu time spent up to now is 92.5 secs Computing kpt #: 52 total cpu time spent up to now is 94.4 secs Computing kpt #: 53 total cpu time spent up to now is 95.6 secs Computing kpt #: 54 total cpu time spent up to now is 96.5 secs Computing kpt #: 55 total cpu time spent up to now is 97.2 secs Computing kpt #: 56 total cpu time spent up to now is 98.3 secs Computing kpt #: 57 total cpu time spent up to now is 99.3 secs Computing kpt #: 58 total cpu time spent up to now is 100.2 secs Computing kpt #: 59 total cpu time spent up to now is 100.9 secs Computing kpt #: 60 total cpu time spent up to now is 101.9 secs Computing kpt #: 61 total cpu time spent up to now is 102.8 secs Computing kpt #: 62 total cpu time spent up to now is 103.6 secs Computing kpt #: 63 total cpu time spent up to now is 104.3 secs Computing kpt #: 64 total cpu time spent up to now is 105.1 secs Computing kpt #: 65 total cpu time spent up to now is 106.0 secs Computing kpt #: 66 total cpu time spent up to now is 107.0 secs Computing kpt #: 67 total cpu time spent up to now is 108.0 secs Computing kpt #: 68 total cpu time spent up to now is 108.8 secs Computing kpt #: 69 total cpu time spent up to now is 109.7 secs Computing kpt #: 70 total cpu time spent up to now is 110.6 secs Computing kpt #: 71 total cpu time spent up to now is 111.5 secs Computing kpt #: 72 total cpu time spent up to now is 112.4 secs Computing kpt #: 73 total cpu time spent up to now is 113.3 secs Computing kpt #: 74 total cpu time spent up to now is 114.1 secs Computing kpt #: 75 total cpu time spent up to now is 115.1 secs Computing kpt #: 76 total cpu time spent up to now is 116.0 secs Computing kpt #: 77 total cpu time spent up to now is 116.9 secs Computing kpt #: 78 total cpu time spent up to now is 117.8 secs Computing kpt #: 79 total cpu time spent up to now is 118.7 secs Computing kpt #: 80 total cpu time spent up to now is 119.6 secs Computing kpt #: 81 total cpu time spent up to now is 120.4 secs Computing kpt #: 82 total cpu time spent up to now is 121.3 secs Computing kpt #: 83 total cpu time spent up to now is 122.2 secs Computing kpt #: 84 total cpu time spent up to now is 123.2 secs Computing kpt #: 85 total cpu time spent up to now is 124.1 secs Computing kpt #: 86 total cpu time spent up to now is 125.0 secs Computing kpt #: 87 total cpu time spent up to now is 125.9 secs Computing kpt #: 88 total cpu time spent up to now is 126.9 secs Computing kpt #: 89 total cpu time spent up to now is 127.9 secs Computing kpt #: 90 total cpu time spent up to now is 128.7 secs Computing kpt #: 91 total cpu time spent up to now is 129.5 secs Computing kpt #: 92 total cpu time spent up to now is 130.3 secs Computing kpt #: 93 total cpu time spent up to now is 131.0 secs Computing kpt #: 94 total cpu time spent up to now is 132.0 secs Computing kpt #: 95 total cpu time spent up to now is 133.1 secs Computing kpt #: 96 total cpu time spent up to now is 134.1 secs Computing kpt #: 97 total cpu time spent up to now is 134.9 secs Computing kpt #: 98 total cpu time spent up to now is 135.7 secs Computing kpt #: 99 total cpu time spent up to now is 136.4 secs Computing kpt #: 100 total cpu time spent up to now is 137.1 secs Computing kpt #: 101 total cpu time spent up to now is 138.0 secs Computing kpt #: 102 total cpu time spent up to now is 139.0 secs Computing kpt #: 103 total cpu time spent up to now is 139.8 secs Computing kpt #: 104 total cpu time spent up to now is 140.5 secs Computing kpt #: 105 total cpu time spent up to now is 142.0 secs Computing kpt #: 106 total cpu time spent up to now is 142.8 secs Computing kpt #: 107 total cpu time spent up to now is 143.7 secs Computing kpt #: 108 total cpu time spent up to now is 144.4 secs Computing kpt #: 109 total cpu time spent up to now is 145.2 secs Computing kpt #: 110 total cpu time spent up to now is 145.9 secs Computing kpt #: 111 total cpu time spent up to now is 146.7 secs Computing kpt #: 112 total cpu time spent up to now is 147.6 secs Computing kpt #: 113 total cpu time spent up to now is 148.4 secs Computing kpt #: 114 total cpu time spent up to now is 149.1 secs Computing kpt #: 115 total cpu time spent up to now is 149.8 secs Computing kpt #: 116 total cpu time spent up to now is 150.5 secs Computing kpt #: 117 total cpu time spent up to now is 151.2 secs Computing kpt #: 118 total cpu time spent up to now is 151.8 secs Computing kpt #: 119 total cpu time spent up to now is 152.5 secs Computing kpt #: 120 total cpu time spent up to now is 153.2 secs Computing kpt #: 121 total cpu time spent up to now is 154.0 secs Computing kpt #: 122 total cpu time spent up to now is 154.7 secs Computing kpt #: 123 total cpu time spent up to now is 155.4 secs Computing kpt #: 124 total cpu time spent up to now is 156.2 secs Computing kpt #: 125 total cpu time spent up to now is 156.9 secs Computing kpt #: 126 total cpu time spent up to now is 157.6 secs Computing kpt #: 127 total cpu time spent up to now is 158.2 secs Computing kpt #: 128 total cpu time spent up to now is 158.9 secs Computing kpt #: 129 total cpu time spent up to now is 159.5 secs Computing kpt #: 130 total cpu time spent up to now is 160.1 secs Computing kpt #: 131 total cpu time spent up to now is 160.8 secs Computing kpt #: 132 total cpu time spent up to now is 161.5 secs Computing kpt #: 133 total cpu time spent up to now is 162.2 secs Computing kpt #: 134 total cpu time spent up to now is 162.9 secs Computing kpt #: 135 total cpu time spent up to now is 163.7 secs Computing kpt #: 136 total cpu time spent up to now is 164.5 secs Computing kpt #: 137 total cpu time spent up to now is 165.6 secs Computing kpt #: 138 total cpu time spent up to now is 166.4 secs Computing kpt #: 139 total cpu time spent up to now is 167.2 secs Computing kpt #: 140 total cpu time spent up to now is 168.0 secs Computing kpt #: 141 total cpu time spent up to now is 168.8 secs Computing kpt #: 142 total cpu time spent up to now is 169.8 secs Computing kpt #: 143 total cpu time spent up to now is 170.9 secs Computing kpt #: 144 total cpu time spent up to now is 171.7 secs Computing kpt #: 145 total cpu time spent up to now is 172.4 secs Computing kpt #: 146 total cpu time spent up to now is 173.2 secs Computing kpt #: 147 total cpu time spent up to now is 174.0 secs Computing kpt #: 148 total cpu time spent up to now is 175.3 secs Computing kpt #: 149 total cpu time spent up to now is 176.3 secs Computing kpt #: 150 total cpu time spent up to now is 177.3 secs Computing kpt #: 151 total cpu time spent up to now is 178.0 secs Computing kpt #: 152 total cpu time spent up to now is 178.7 secs Computing kpt #: 153 total cpu time spent up to now is 179.5 secs Computing kpt #: 154 total cpu time spent up to now is 180.4 secs Computing kpt #: 155 total cpu time spent up to now is 181.5 secs Computing kpt #: 156 total cpu time spent up to now is 182.2 secs Computing kpt #: 157 total cpu time spent up to now is 182.9 secs Computing kpt #: 158 total cpu time spent up to now is 183.6 secs Computing kpt #: 159 total cpu time spent up to now is 184.3 secs Computing kpt #: 160 total cpu time spent up to now is 185.0 secs Computing kpt #: 161 total cpu time spent up to now is 185.7 secs Computing kpt #: 162 total cpu time spent up to now is 186.4 secs Computing kpt #: 163 total cpu time spent up to now is 187.1 secs Computing kpt #: 164 total cpu time spent up to now is 187.8 secs Computing kpt #: 165 total cpu time spent up to now is 188.5 secs Computing kpt #: 166 total cpu time spent up to now is 189.5 secs Computing kpt #: 167 total cpu time spent up to now is 190.1 secs Computing kpt #: 168 total cpu time spent up to now is 191.1 secs Computing kpt #: 169 total cpu time spent up to now is 191.8 secs Computing kpt #: 170 total cpu time spent up to now is 192.6 secs Computing kpt #: 171 total cpu time spent up to now is 193.6 secs Computing kpt #: 172 total cpu time spent up to now is 194.4 secs Computing kpt #: 173 total cpu time spent up to now is 195.1 secs Computing kpt #: 174 total cpu time spent up to now is 195.8 secs Computing kpt #: 175 total cpu time spent up to now is 196.5 secs Computing kpt #: 176 total cpu time spent up to now is 197.3 secs Computing kpt #: 177 total cpu time spent up to now is 198.0 secs Computing kpt #: 178 total cpu time spent up to now is 198.7 secs Computing kpt #: 179 total cpu time spent up to now is 199.5 secs Computing kpt #: 180 total cpu time spent up to now is 200.4 secs Computing kpt #: 181 total cpu time spent up to now is 201.4 secs Computing kpt #: 182 total cpu time spent up to now is 202.1 secs Computing kpt #: 183 total cpu time spent up to now is 203.0 secs Computing kpt #: 184 total cpu time spent up to now is 203.9 secs Computing kpt #: 185 total cpu time spent up to now is 204.8 secs Computing kpt #: 186 total cpu time spent up to now is 205.6 secs Computing kpt #: 187 total cpu time spent up to now is 206.5 secs Computing kpt #: 188 total cpu time spent up to now is 207.5 secs Computing kpt #: 189 total cpu time spent up to now is 208.5 secs Computing kpt #: 190 total cpu time spent up to now is 209.9 secs Computing kpt #: 191 total cpu time spent up to now is 210.7 secs Computing kpt #: 192 total cpu time spent up to now is 211.4 secs Computing kpt #: 193 total cpu time spent up to now is 212.2 secs Computing kpt #: 194 total cpu time spent up to now is 212.9 secs Computing kpt #: 195 total cpu time spent up to now is 214.2 secs Computing kpt #: 196 total cpu time spent up to now is 215.2 secs Computing kpt #: 197 total cpu time spent up to now is 216.3 secs Computing kpt #: 198 total cpu time spent up to now is 217.1 secs Computing kpt #: 199 total cpu time spent up to now is 217.9 secs Computing kpt #: 200 total cpu time spent up to now is 218.6 secs Computing kpt #: 201 total cpu time spent up to now is 219.7 secs Computing kpt #: 202 total cpu time spent up to now is 220.6 secs Computing kpt #: 203 total cpu time spent up to now is 221.6 secs Computing kpt #: 204 total cpu time spent up to now is 222.4 secs Computing kpt #: 205 total cpu time spent up to now is 223.1 secs Computing kpt #: 206 total cpu time spent up to now is 224.0 secs Computing kpt #: 207 total cpu time spent up to now is 224.7 secs Computing kpt #: 208 total cpu time spent up to now is 225.5 secs Computing kpt #: 209 total cpu time spent up to now is 226.5 secs Computing kpt #: 210 total cpu time spent up to now is 227.4 secs Computing kpt #: 211 total cpu time spent up to now is 228.1 secs Computing kpt #: 212 total cpu time spent up to now is 228.8 secs Computing kpt #: 213 total cpu time spent up to now is 229.4 secs Computing kpt #: 214 total cpu time spent up to now is 230.0 secs Computing kpt #: 215 total cpu time spent up to now is 230.7 secs Computing kpt #: 216 total cpu time spent up to now is 232.0 secs Computing kpt #: 217 total cpu time spent up to now is 232.7 secs Computing kpt #: 218 total cpu time spent up to now is 233.5 secs Computing kpt #: 219 total cpu time spent up to now is 234.2 secs Computing kpt #: 220 total cpu time spent up to now is 234.9 secs Computing kpt #: 221 total cpu time spent up to now is 235.5 secs Computing kpt #: 222 total cpu time spent up to now is 236.1 secs Computing kpt #: 223 total cpu time spent up to now is 236.7 secs Computing kpt #: 224 total cpu time spent up to now is 237.4 secs Computing kpt #: 225 total cpu time spent up to now is 238.0 secs Computing kpt #: 226 total cpu time spent up to now is 238.6 secs Computing kpt #: 227 total cpu time spent up to now is 239.5 secs Computing kpt #: 228 total cpu time spent up to now is 240.3 secs Computing kpt #: 229 total cpu time spent up to now is 241.0 secs Computing kpt #: 230 total cpu time spent up to now is 241.8 secs Computing kpt #: 231 total cpu time spent up to now is 242.6 secs Computing kpt #: 232 total cpu time spent up to now is 243.2 secs Computing kpt #: 233 total cpu time spent up to now is 243.8 secs Computing kpt #: 234 total cpu time spent up to now is 244.4 secs Computing kpt #: 235 total cpu time spent up to now is 245.0 secs Computing kpt #: 236 total cpu time spent up to now is 245.6 secs Computing kpt #: 237 total cpu time spent up to now is 246.2 secs Computing kpt #: 238 total cpu time spent up to now is 247.3 secs Computing kpt #: 239 total cpu time spent up to now is 248.0 secs Computing kpt #: 240 total cpu time spent up to now is 248.9 secs Computing kpt #: 241 total cpu time spent up to now is 249.6 secs Computing kpt #: 242 total cpu time spent up to now is 250.6 secs Computing kpt #: 243 total cpu time spent up to now is 251.5 secs Computing kpt #: 244 total cpu time spent up to now is 252.3 secs Computing kpt #: 245 total cpu time spent up to now is 252.9 secs Computing kpt #: 246 total cpu time spent up to now is 253.5 secs Computing kpt #: 247 total cpu time spent up to now is 254.1 secs Computing kpt #: 248 total cpu time spent up to now is 254.8 secs Computing kpt #: 249 total cpu time spent up to now is 255.4 secs Computing kpt #: 250 total cpu time spent up to now is 256.0 secs Computing kpt #: 251 total cpu time spent up to now is 256.8 secs Computing kpt #: 252 total cpu time spent up to now is 257.5 secs Computing kpt #: 253 total cpu time spent up to now is 258.1 secs Computing kpt #: 254 total cpu time spent up to now is 259.0 secs Computing kpt #: 255 total cpu time spent up to now is 259.8 secs Computing kpt #: 256 total cpu time spent up to now is 260.5 secs Computing kpt #: 257 total cpu time spent up to now is 261.2 secs Computing kpt #: 258 total cpu time spent up to now is 262.1 secs Computing kpt #: 259 total cpu time spent up to now is 262.7 secs Computing kpt #: 260 total cpu time spent up to now is 263.4 secs Computing kpt #: 261 total cpu time spent up to now is 264.4 secs Computing kpt #: 262 total cpu time spent up to now is 265.1 secs Computing kpt #: 263 total cpu time spent up to now is 265.9 secs Computing kpt #: 264 total cpu time spent up to now is 266.8 secs Computing kpt #: 265 total cpu time spent up to now is 267.7 secs Computing kpt #: 266 total cpu time spent up to now is 268.5 secs Computing kpt #: 267 total cpu time spent up to now is 269.5 secs Computing kpt #: 268 total cpu time spent up to now is 270.5 secs Computing kpt #: 269 total cpu time spent up to now is 271.8 secs Computing kpt #: 270 total cpu time spent up to now is 272.8 secs Computing kpt #: 271 total cpu time spent up to now is 273.8 secs Computing kpt #: 272 total cpu time spent up to now is 274.8 secs Computing kpt #: 273 total cpu time spent up to now is 275.9 secs Computing kpt #: 274 total cpu time spent up to now is 277.0 secs Computing kpt #: 275 total cpu time spent up to now is 278.0 secs Computing kpt #: 276 total cpu time spent up to now is 279.0 secs Computing kpt #: 277 total cpu time spent up to now is 279.9 secs Computing kpt #: 278 total cpu time spent up to now is 280.9 secs Computing kpt #: 279 total cpu time spent up to now is 281.8 secs Computing kpt #: 280 total cpu time spent up to now is 282.8 secs Computing kpt #: 281 total cpu time spent up to now is 284.4 secs Computing kpt #: 282 total cpu time spent up to now is 285.2 secs Computing kpt #: 283 total cpu time spent up to now is 286.2 secs Computing kpt #: 284 total cpu time spent up to now is 287.0 secs Computing kpt #: 285 total cpu time spent up to now is 287.9 secs Computing kpt #: 286 total cpu time spent up to now is 288.6 secs Computing kpt #: 287 total cpu time spent up to now is 289.3 secs Computing kpt #: 288 total cpu time spent up to now is 290.0 secs Computing kpt #: 289 total cpu time spent up to now is 290.8 secs Computing kpt #: 290 total cpu time spent up to now is 291.9 secs Computing kpt #: 291 total cpu time spent up to now is 292.7 secs Computing kpt #: 292 total cpu time spent up to now is 293.4 secs Computing kpt #: 293 total cpu time spent up to now is 294.2 secs Computing kpt #: 294 total cpu time spent up to now is 294.9 secs Computing kpt #: 295 total cpu time spent up to now is 295.6 secs Computing kpt #: 296 total cpu time spent up to now is 296.4 secs Computing kpt #: 297 total cpu time spent up to now is 297.3 secs Computing kpt #: 298 total cpu time spent up to now is 298.2 secs Computing kpt #: 299 total cpu time spent up to now is 299.0 secs Computing kpt #: 300 total cpu time spent up to now is 299.8 secs Computing kpt #: 301 total cpu time spent up to now is 300.7 secs Computing kpt #: 302 total cpu time spent up to now is 301.4 secs Computing kpt #: 303 total cpu time spent up to now is 302.2 secs Computing kpt #: 304 total cpu time spent up to now is 302.9 secs Computing kpt #: 305 total cpu time spent up to now is 303.9 secs Computing kpt #: 306 total cpu time spent up to now is 304.7 secs Computing kpt #: 307 total cpu time spent up to now is 305.5 secs Computing kpt #: 308 total cpu time spent up to now is 306.3 secs Computing kpt #: 309 total cpu time spent up to now is 307.8 secs Computing kpt #: 310 total cpu time spent up to now is 308.5 secs Computing kpt #: 311 total cpu time spent up to now is 309.1 secs Computing kpt #: 312 total cpu time spent up to now is 309.9 secs Computing kpt #: 313 total cpu time spent up to now is 310.8 secs Computing kpt #: 314 total cpu time spent up to now is 311.6 secs Computing kpt #: 315 total cpu time spent up to now is 312.4 secs Computing kpt #: 316 total cpu time spent up to now is 313.1 secs Computing kpt #: 317 total cpu time spent up to now is 314.2 secs Computing kpt #: 318 total cpu time spent up to now is 315.1 secs Computing kpt #: 319 total cpu time spent up to now is 316.0 secs Computing kpt #: 320 total cpu time spent up to now is 316.8 secs Computing kpt #: 321 total cpu time spent up to now is 317.5 secs Computing kpt #: 322 total cpu time spent up to now is 318.2 secs Computing kpt #: 323 total cpu time spent up to now is 319.0 secs Computing kpt #: 324 total cpu time spent up to now is 319.7 secs Computing kpt #: 325 total cpu time spent up to now is 320.5 secs Computing kpt #: 326 total cpu time spent up to now is 321.4 secs Computing kpt #: 327 total cpu time spent up to now is 322.2 secs Computing kpt #: 328 total cpu time spent up to now is 322.9 secs Computing kpt #: 329 total cpu time spent up to now is 323.6 secs Computing kpt #: 330 total cpu time spent up to now is 324.5 secs Computing kpt #: 331 total cpu time spent up to now is 325.4 secs Computing kpt #: 332 total cpu time spent up to now is 326.1 secs Computing kpt #: 333 total cpu time spent up to now is 326.8 secs Computing kpt #: 334 total cpu time spent up to now is 327.5 secs Computing kpt #: 335 total cpu time spent up to now is 328.3 secs Computing kpt #: 336 total cpu time spent up to now is 329.2 secs Computing kpt #: 337 total cpu time spent up to now is 330.0 secs Computing kpt #: 338 total cpu time spent up to now is 330.8 secs Computing kpt #: 339 total cpu time spent up to now is 331.6 secs Computing kpt #: 340 total cpu time spent up to now is 332.4 secs Computing kpt #: 341 total cpu time spent up to now is 333.1 secs Computing kpt #: 342 total cpu time spent up to now is 333.9 secs Computing kpt #: 343 total cpu time spent up to now is 334.7 secs Computing kpt #: 344 total cpu time spent up to now is 335.5 secs Computing kpt #: 345 total cpu time spent up to now is 336.4 secs Computing kpt #: 346 total cpu time spent up to now is 337.4 secs Computing kpt #: 347 total cpu time spent up to now is 338.4 secs Computing kpt #: 348 total cpu time spent up to now is 339.3 secs Computing kpt #: 349 total cpu time spent up to now is 340.2 secs Computing kpt #: 350 total cpu time spent up to now is 341.1 secs Computing kpt #: 351 total cpu time spent up to now is 342.0 secs Computing kpt #: 352 total cpu time spent up to now is 342.8 secs Computing kpt #: 353 total cpu time spent up to now is 343.7 secs Computing kpt #: 354 total cpu time spent up to now is 344.5 secs Computing kpt #: 355 total cpu time spent up to now is 345.6 secs Computing kpt #: 356 total cpu time spent up to now is 346.6 secs Computing kpt #: 357 total cpu time spent up to now is 347.5 secs Computing kpt #: 358 total cpu time spent up to now is 348.2 secs Computing kpt #: 359 total cpu time spent up to now is 348.9 secs Computing kpt #: 360 total cpu time spent up to now is 349.9 secs Computing kpt #: 361 total cpu time spent up to now is 350.6 secs Computing kpt #: 362 total cpu time spent up to now is 351.2 secs Computing kpt #: 363 total cpu time spent up to now is 352.0 secs Computing kpt #: 364 total cpu time spent up to now is 352.7 secs Computing kpt #: 365 total cpu time spent up to now is 353.5 secs Computing kpt #: 366 total cpu time spent up to now is 354.4 secs Computing kpt #: 367 total cpu time spent up to now is 355.3 secs Computing kpt #: 368 total cpu time spent up to now is 356.0 secs Computing kpt #: 369 total cpu time spent up to now is 356.7 secs Computing kpt #: 370 total cpu time spent up to now is 357.7 secs Computing kpt #: 371 total cpu time spent up to now is 359.1 secs Computing kpt #: 372 total cpu time spent up to now is 359.8 secs Computing kpt #: 373 total cpu time spent up to now is 360.4 secs Computing kpt #: 374 total cpu time spent up to now is 361.2 secs Computing kpt #: 375 total cpu time spent up to now is 362.6 secs Computing kpt #: 376 total cpu time spent up to now is 363.4 secs Computing kpt #: 377 total cpu time spent up to now is 364.3 secs Computing kpt #: 378 total cpu time spent up to now is 365.2 secs Computing kpt #: 379 total cpu time spent up to now is 366.1 secs Computing kpt #: 380 total cpu time spent up to now is 366.9 secs Computing kpt #: 381 total cpu time spent up to now is 367.7 secs Computing kpt #: 382 total cpu time spent up to now is 368.5 secs Computing kpt #: 383 total cpu time spent up to now is 369.5 secs Computing kpt #: 384 total cpu time spent up to now is 370.4 secs Computing kpt #: 385 total cpu time spent up to now is 371.6 secs Computing kpt #: 386 total cpu time spent up to now is 373.0 secs Computing kpt #: 387 total cpu time spent up to now is 374.4 secs Computing kpt #: 388 total cpu time spent up to now is 376.0 secs Computing kpt #: 389 total cpu time spent up to now is 377.5 secs Computing kpt #: 390 total cpu time spent up to now is 378.4 secs Computing kpt #: 391 total cpu time spent up to now is 379.3 secs Computing kpt #: 392 total cpu time spent up to now is 380.3 secs Computing kpt #: 393 total cpu time spent up to now is 381.3 secs Computing kpt #: 394 total cpu time spent up to now is 382.2 secs Computing kpt #: 395 total cpu time spent up to now is 383.2 secs Computing kpt #: 396 total cpu time spent up to now is 384.3 secs Computing kpt #: 397 total cpu time spent up to now is 385.2 secs Computing kpt #: 398 total cpu time spent up to now is 386.2 secs Computing kpt #: 399 total cpu time spent up to now is 387.1 secs Computing kpt #: 400 total cpu time spent up to now is 387.9 secs Computing kpt #: 401 total cpu time spent up to now is 388.8 secs Computing kpt #: 402 total cpu time spent up to now is 389.5 secs Computing kpt #: 403 total cpu time spent up to now is 390.4 secs Computing kpt #: 404 total cpu time spent up to now is 391.8 secs Computing kpt #: 405 total cpu time spent up to now is 392.7 secs Computing kpt #: 406 total cpu time spent up to now is 393.7 secs Computing kpt #: 407 total cpu time spent up to now is 394.5 secs Computing kpt #: 408 total cpu time spent up to now is 395.3 secs Computing kpt #: 409 total cpu time spent up to now is 395.9 secs Computing kpt #: 410 total cpu time spent up to now is 396.6 secs Computing kpt #: 411 total cpu time spent up to now is 397.5 secs Computing kpt #: 412 total cpu time spent up to now is 398.5 secs Computing kpt #: 413 total cpu time spent up to now is 399.2 secs Computing kpt #: 414 total cpu time spent up to now is 399.9 secs Computing kpt #: 415 total cpu time spent up to now is 400.6 secs Computing kpt #: 416 total cpu time spent up to now is 401.2 secs Computing kpt #: 417 total cpu time spent up to now is 402.7 secs Computing kpt #: 418 total cpu time spent up to now is 403.4 secs Computing kpt #: 419 total cpu time spent up to now is 404.5 secs Computing kpt #: 420 total cpu time spent up to now is 405.3 secs Computing kpt #: 421 total cpu time spent up to now is 406.1 secs Computing kpt #: 422 total cpu time spent up to now is 406.8 secs Computing kpt #: 423 total cpu time spent up to now is 407.6 secs Computing kpt #: 424 total cpu time spent up to now is 408.6 secs Computing kpt #: 425 total cpu time spent up to now is 409.5 secs Computing kpt #: 426 total cpu time spent up to now is 410.5 secs Computing kpt #: 427 total cpu time spent up to now is 411.3 secs Computing kpt #: 428 total cpu time spent up to now is 412.1 secs Computing kpt #: 429 total cpu time spent up to now is 412.8 secs Computing kpt #: 430 total cpu time spent up to now is 413.6 secs Computing kpt #: 431 total cpu time spent up to now is 414.3 secs Computing kpt #: 432 total cpu time spent up to now is 415.1 secs Computing kpt #: 433 total cpu time spent up to now is 415.8 secs Computing kpt #: 434 total cpu time spent up to now is 416.7 secs Computing kpt #: 435 total cpu time spent up to now is 417.5 secs Computing kpt #: 436 total cpu time spent up to now is 418.3 secs Computing kpt #: 437 total cpu time spent up to now is 419.1 secs Computing kpt #: 438 total cpu time spent up to now is 419.8 secs Computing kpt #: 439 total cpu time spent up to now is 420.5 secs Computing kpt #: 440 total cpu time spent up to now is 421.2 secs Computing kpt #: 441 total cpu time spent up to now is 422.0 secs Computing kpt #: 442 total cpu time spent up to now is 422.7 secs Computing kpt #: 443 total cpu time spent up to now is 423.4 secs Computing kpt #: 444 total cpu time spent up to now is 424.2 secs Computing kpt #: 445 total cpu time spent up to now is 425.2 secs Computing kpt #: 446 total cpu time spent up to now is 426.1 secs Computing kpt #: 447 total cpu time spent up to now is 426.7 secs Computing kpt #: 448 total cpu time spent up to now is 427.3 secs ethr = 3.85E-11, avg # of iterations = 27.8 total cpu time spent up to now is 427.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3477 PWs) bands (ev): -47.8988 -47.8988 -22.9718 -22.9718 -19.9469 -19.9469 -19.7793 -19.7793 -19.7508 -19.7508 -18.0616 -18.0616 -7.8388 -7.8388 -4.9190 -4.9190 -4.5991 -4.5991 -4.5003 -4.5003 -0.2964 -0.2964 0.6605 0.6605 1.3650 1.3650 4.8901 4.8901 7.6743 7.6743 12.5905 12.5905 13.7493 13.7493 k =-0.0058 0.0051 0.0113 ( 3473 PWs) bands (ev): -47.8988 -47.8988 -22.9717 -22.9717 -19.9470 -19.9468 -19.7793 -19.7792 -19.7509 -19.7507 -18.0616 -18.0616 -7.8388 -7.8388 -4.9188 -4.9188 -4.6019 -4.5991 -4.5009 -4.4981 -0.2969 -0.2968 0.6606 0.6607 1.3654 1.3655 4.8893 4.8894 7.6759 7.6761 12.5904 12.5905 13.7513 13.7513 k =-0.0116 0.0101 0.0226 ( 3471 PWs) bands (ev): -47.8987 -47.8987 -22.9716 -22.9716 -19.9470 -19.9468 -19.7794 -19.7792 -19.7510 -19.7506 -18.0618 -18.0618 -7.8387 -7.8387 -4.9184 -4.9184 -4.6072 -4.6020 -4.5000 -4.4946 -0.2981 -0.2981 0.6611 0.6612 1.3666 1.3668 4.8870 4.8873 7.6812 7.6815 12.5902 12.5903 13.7573 13.7573 k =-0.0175 0.0152 0.0339 ( 3465 PWs) bands (ev): -47.8987 -47.8987 -22.9714 -22.9714 -19.9470 -19.9466 -19.7793 -19.7790 -19.7512 -19.7505 -18.0620 -18.0620 -7.8386 -7.8386 -4.9177 -4.9177 -4.6147 -4.6076 -4.4976 -4.4902 -0.3002 -0.3001 0.6618 0.6620 1.3687 1.3690 4.8833 4.8838 7.6899 7.6904 12.5898 12.5900 13.7672 13.7673 k =-0.0233 0.0202 0.0452 ( 3469 PWs) bands (ev): -47.8987 -47.8987 -22.9710 -22.9710 -19.9470 -19.9466 -19.7793 -19.7790 -19.7514 -19.7505 -18.0622 -18.0622 -7.8385 -7.8384 -4.9168 -4.9168 -4.6240 -4.6155 -4.4942 -4.4853 -0.3031 -0.3030 0.6629 0.6632 1.3716 1.3720 4.8782 4.8788 7.7021 7.7028 12.5893 12.5896 13.7811 13.7812 k =-0.0291 0.0253 0.0565 ( 3469 PWs) bands (ev): -47.8987 -47.8987 -22.9706 -22.9706 -19.9470 -19.9465 -19.7793 -19.7788 -19.7516 -19.7505 -18.0626 -18.0626 -7.8383 -7.8382 -4.9156 -4.9156 -4.6348 -4.6253 -4.4900 -4.4801 -0.3068 -0.3066 0.6643 0.6646 1.3754 1.3758 4.8718 4.8725 7.7178 7.7187 12.5886 12.5889 13.7988 13.7989 k =-0.0349 0.0304 0.0678 ( 3469 PWs) bands (ev): -47.8987 -47.8987 -22.9701 -22.9701 -19.9470 -19.9463 -19.7792 -19.7787 -19.7518 -19.7506 -18.0631 -18.0631 -7.8380 -7.8380 -4.9142 -4.9142 -4.6468 -4.6367 -4.4854 -4.4748 -0.3113 -0.3110 0.6660 0.6663 1.3799 1.3804 4.8641 4.8649 7.7369 7.7379 12.5876 12.5880 13.8201 13.8203 k =-0.0407 0.0354 0.0791 ( 3469 PWs) bands (ev): -47.8987 -47.8987 -22.9695 -22.9695 -19.9470 -19.9462 -19.7792 -19.7785 -19.7520 -19.7506 -18.0636 -18.0636 -7.8378 -7.8377 -4.9125 -4.9125 -4.6599 -4.6494 -4.4806 -4.4696 -0.3165 -0.3162 0.6679 0.6684 1.3851 1.3857 4.8551 4.8561 7.7593 7.7605 12.5864 12.5868 13.8450 13.8452 k =-0.0465 0.0405 0.0904 ( 3473 PWs) bands (ev): -47.8987 -47.8987 -22.9689 -22.9688 -19.9470 -19.9461 -19.7791 -19.7784 -19.7523 -19.7506 -18.0642 -18.0642 -7.8375 -7.8374 -4.9106 -4.9106 -4.6740 -4.6633 -4.4758 -4.4644 -0.3225 -0.3221 0.6702 0.6707 1.3911 1.3918 4.8450 4.8461 7.7851 7.7864 12.5847 12.5853 13.8731 13.8734 k =-0.0524 0.0456 0.1017 ( 3481 PWs) bands (ev): -47.8987 -47.8987 -22.9681 -22.9681 -19.9471 -19.9460 -19.7791 -19.7782 -19.7526 -19.7508 -18.0649 -18.0649 -7.8372 -7.8371 -4.9085 -4.9084 -4.6890 -4.6782 -4.4710 -4.4594 -0.3290 -0.3286 0.6728 0.6733 1.3978 1.3985 4.8338 4.8350 7.8140 7.8155 12.5827 12.5833 13.9042 13.9045 k =-0.0582 0.0506 0.1130 ( 3479 PWs) bands (ev): -47.8986 -47.8986 -22.9673 -22.9673 -19.9470 -19.9458 -19.7789 -19.7780 -19.7529 -19.7508 -18.0656 -18.0656 -7.8369 -7.8368 -4.9060 -4.9060 -4.7047 -4.6939 -4.4662 -4.4546 -0.3362 -0.3358 0.6757 0.6763 1.4051 1.4059 4.8217 4.8230 7.8461 7.8477 12.5802 12.5809 13.9376 13.9380 k =-0.0640 0.0557 0.1243 ( 3479 PWs) bands (ev): -47.8986 -47.8986 -22.9664 -22.9663 -19.9470 -19.9457 -19.7788 -19.7778 -19.7532 -19.7510 -18.0665 -18.0665 -7.8366 -7.8365 -4.9034 -4.9034 -4.7212 -4.7104 -4.4616 -4.4500 -0.3440 -0.3435 0.6789 0.6796 1.4130 1.4139 4.8087 4.8100 7.8812 7.8829 12.5771 12.5778 13.9728 13.9732 k =-0.0698 0.0607 0.1357 ( 3475 PWs) bands (ev): -47.8986 -47.8986 -22.9654 -22.9653 -19.9469 -19.9455 -19.7786 -19.7776 -19.7535 -19.7511 -18.0673 -18.0673 -7.8363 -7.8362 -4.9005 -4.9005 -4.7383 -4.7276 -4.4571 -4.4455 -0.3523 -0.3517 0.6824 0.6831 1.4214 1.4224 4.7949 4.7963 7.9193 7.9211 12.5733 12.5741 14.0086 14.0090 k =-0.0756 0.0658 0.1470 ( 3467 PWs) bands (ev): -47.8985 -47.8985 -22.9643 -22.9643 -19.9469 -19.9453 -19.7785 -19.7774 -19.7538 -19.7512 -18.0683 -18.0683 -7.8360 -7.8359 -4.8974 -4.8974 -4.7559 -4.7454 -4.4527 -4.4412 -0.3610 -0.3604 0.6861 0.6869 1.4304 1.4314 4.7805 4.7820 7.9602 7.9621 12.5688 12.5697 14.0433 14.0438 k =-0.0815 0.0709 0.1583 ( 3463 PWs) bands (ev): -47.8985 -47.8985 -22.9632 -22.9632 -19.9468 -19.9452 -19.7783 -19.7772 -19.7540 -19.7513 -18.0693 -18.0693 -7.8358 -7.8357 -4.8942 -4.8941 -4.7741 -4.7637 -4.4485 -4.4371 -0.3701 -0.3695 0.6902 0.6910 1.4397 1.4408 4.7655 4.7671 8.0039 8.0058 12.5635 12.5644 14.0742 14.0748 k =-0.0873 0.0759 0.1696 ( 3463 PWs) bands (ev): -47.8985 -47.8985 -22.9620 -22.9620 -19.9468 -19.9450 -19.7781 -19.7770 -19.7544 -19.7515 -18.0704 -18.0704 -7.8356 -7.8355 -4.8907 -4.8906 -4.7926 -4.7825 -4.4445 -4.4333 -0.3796 -0.3789 0.6945 0.6954 1.4495 1.4506 4.7501 4.7518 8.0502 8.0523 12.5572 12.5582 14.0968 14.0978 k =-0.0931 0.0810 0.1809 ( 3467 PWs) bands (ev): -47.8984 -47.8984 -22.9608 -22.9607 -19.9468 -19.9449 -19.7780 -19.7768 -19.7547 -19.7516 -18.0715 -18.0715 -7.8354 -7.8354 -4.8871 -4.8870 -4.8115 -4.8016 -4.4406 -4.4295 -0.3894 -0.3887 0.6991 0.7000 1.4596 1.4607 4.7344 4.7361 8.0991 8.1012 12.5499 12.5510 14.1051 14.1063 k =-0.0989 0.0860 0.1922 ( 3463 PWs) bands (ev): -47.8984 -47.8984 -22.9595 -22.9594 -19.9467 -19.9448 -19.7778 -19.7766 -19.7550 -19.7518 -18.0727 -18.0727 -7.8354 -7.8353 -4.8833 -4.8832 -4.8306 -4.8210 -4.4369 -4.4260 -0.3993 -0.3985 0.7039 0.7049 1.4700 1.4711 4.7185 4.7202 8.1504 8.1526 12.5415 12.5427 14.0920 14.0935 k =-0.1047 0.0911 0.2035 ( 3471 PWs) bands (ev): -47.8984 -47.8984 -22.9582 -22.9581 -19.9468 -19.9447 -19.7777 -19.7764 -19.7553 -19.7520 -18.0739 -18.0739 -7.8354 -7.8353 -4.8795 -4.8792 -4.8498 -4.8405 -4.4334 -4.4226 -0.4094 -0.4087 0.7090 0.7100 1.4806 1.4818 4.7024 4.7042 8.2041 8.2063 12.5319 12.5332 14.0543 14.0562 k =-0.1105 0.0962 0.2148 ( 3475 PWs) bands (ev): -47.8983 -47.8983 -22.9568 -22.9567 -19.9468 -19.9446 -19.7776 -19.7763 -19.7556 -19.7522 -18.0752 -18.0752 -7.8355 -7.8355 -4.8763 -4.8750 -4.8683 -4.8602 -4.4300 -4.4194 -0.4197 -0.4188 0.7143 0.7154 1.4914 1.4926 4.6864 4.6882 8.2600 8.2622 12.5210 12.5223 13.9952 13.9973 k =-0.1164 0.1012 0.2261 ( 3473 PWs) bands (ev): -47.8983 -47.8983 -22.9553 -22.9553 -19.9468 -19.9445 -19.7774 -19.7761 -19.7559 -19.7523 -18.0766 -18.0765 -7.8358 -7.8357 -4.8895 -4.8799 -4.8707 -4.8702 -4.4267 -4.4164 -0.4299 -0.4290 0.7199 0.7211 1.5023 1.5035 4.6705 4.6724 8.3180 8.3202 12.5087 12.5101 13.9209 13.9233 k =-0.1222 0.1063 0.2374 ( 3475 PWs) bands (ev): -47.8983 -47.8983 -22.9539 -22.9538 -19.9468 -19.9444 -19.7773 -19.7760 -19.7561 -19.7525 -18.0779 -18.0779 -7.8361 -7.8361 -4.9087 -4.8995 -4.8663 -4.8661 -4.4236 -4.4135 -0.4401 -0.4392 0.7258 0.7270 1.5133 1.5145 4.6548 4.6567 8.3780 8.3802 12.4949 12.4965 13.8375 13.8401 k =-0.1280 0.1114 0.2487 ( 3475 PWs) bands (ev): -47.8982 -47.8982 -22.9524 -22.9523 -19.9468 -19.9443 -19.7772 -19.7759 -19.7564 -19.7527 -18.0793 -18.0793 -7.8367 -7.8366 -4.9278 -4.9190 -4.8618 -4.8616 -4.4207 -4.4108 -0.4502 -0.4493 0.7318 0.7331 1.5244 1.5255 4.6395 4.6415 8.4399 8.4420 12.4796 12.4813 13.7489 13.7517 k =-0.1338 0.1164 0.2600 ( 3481 PWs) bands (ev): -47.8982 -47.8982 -22.9508 -22.9508 -19.9469 -19.9442 -19.7771 -19.7759 -19.7566 -19.7529 -18.0808 -18.0807 -7.8373 -7.8373 -4.9468 -4.9383 -4.8571 -4.8570 -4.4180 -4.4082 -0.4602 -0.4592 0.7381 0.7393 1.5354 1.5365 4.6246 4.6266 8.5035 8.5057 12.4626 12.4644 13.6576 13.6607 k =-0.1396 0.1215 0.2713 ( 3481 PWs) bands (ev): -47.8982 -47.8982 -22.9493 -22.9492 -19.9469 -19.9442 -19.7770 -19.7758 -19.7568 -19.7530 -18.0822 -18.0822 -7.8382 -7.8381 -4.9655 -4.9572 -4.8524 -4.8522 -4.4154 -4.4058 -0.4698 -0.4688 0.7445 0.7459 1.5464 1.5475 4.6103 4.6123 8.5688 8.5709 12.4440 12.4460 13.5654 13.5686 k =-0.1455 0.1265 0.2826 ( 3481 PWs) bands (ev): -47.8981 -47.8981 -22.9477 -22.9476 -19.9470 -19.9441 -19.7769 -19.7758 -19.7570 -19.7532 -18.0837 -18.0837 -7.8392 -7.8391 -4.9839 -4.9758 -4.8476 -4.8474 -4.4130 -4.4036 -0.4792 -0.4781 0.7512 0.7526 1.5572 1.5583 4.5966 4.5986 8.6356 8.6377 12.4237 12.4258 13.4731 13.4765 k =-0.1513 0.1316 0.2939 ( 3473 PWs) bands (ev): -47.8981 -47.8981 -22.9462 -22.9461 -19.9470 -19.9441 -19.7768 -19.7757 -19.7572 -19.7533 -18.0851 -18.0851 -7.8404 -7.8403 -5.0017 -4.9939 -4.8427 -4.8425 -4.4108 -4.4016 -0.4881 -0.4870 0.7581 0.7595 1.5680 1.5691 4.5837 4.5856 8.7038 8.7059 12.4017 12.4039 13.3814 13.3850 k =-0.1571 0.1367 0.3052 ( 3477 PWs) bands (ev): -47.8980 -47.8980 -22.9446 -22.9445 -19.9471 -19.9441 -19.7768 -19.7758 -19.7574 -19.7535 -18.0866 -18.0866 -7.8418 -7.8418 -5.0191 -5.0114 -4.8377 -4.8376 -4.4087 -4.3998 -0.4967 -0.4955 0.7651 0.7666 1.5786 1.5796 4.5715 4.5735 8.7733 8.7753 12.3780 12.3803 13.2907 13.2945 k =-0.1629 0.1417 0.3165 ( 3481 PWs) bands (ev): -47.8980 -47.8980 -22.9430 -22.9429 -19.9472 -19.9441 -19.7768 -19.7759 -19.7576 -19.7536 -18.0881 -18.0881 -7.8434 -7.8434 -5.0358 -5.0284 -4.8327 -4.8326 -4.4069 -4.3981 -0.5048 -0.5035 0.7723 0.7738 1.5889 1.5899 4.5601 4.5621 8.8440 8.8459 12.3525 12.3550 13.2013 13.2052 k =-0.1687 0.1468 0.3278 ( 3473 PWs) bands (ev): -47.8980 -47.8980 -22.9414 -22.9413 -19.9473 -19.9441 -19.7768 -19.7759 -19.7577 -19.7537 -18.0896 -18.0896 -7.8453 -7.8453 -5.0519 -5.0446 -4.8277 -4.8275 -4.4052 -4.3966 -0.5123 -0.5110 0.7797 0.7812 1.5991 1.6000 4.5498 4.5518 8.9157 8.9176 12.3254 12.3280 13.1134 13.1175 k =-0.1745 0.1518 0.3391 ( 3461 PWs) bands (ev): -47.8979 -47.8979 -22.9399 -22.9397 -19.9473 -19.9441 -19.7768 -19.7760 -19.7577 -19.7538 -18.0912 -18.0911 -7.8474 -7.8473 -5.0672 -5.0601 -4.8226 -4.8224 -4.4038 -4.3953 -0.5192 -0.5179 0.7872 0.7888 1.6090 1.6098 4.5405 4.5425 8.9883 8.9901 12.2966 12.2994 13.0271 13.0314 k =-0.1804 0.1569 0.3504 ( 3465 PWs) bands (ev): -47.8979 -47.8979 -22.9383 -22.9382 -19.9475 -19.9442 -19.7769 -19.7761 -19.7579 -19.7540 -18.0927 -18.0927 -7.8498 -7.8497 -5.0817 -5.0748 -4.8176 -4.8174 -4.4025 -4.3943 -0.5255 -0.5241 0.7948 0.7965 1.6185 1.6194 4.5323 4.5343 9.0617 9.0634 12.2663 12.2692 12.9424 12.9468 k =-0.1862 0.1620 0.3617 ( 3469 PWs) bands (ev): -47.8979 -47.8979 -22.9368 -22.9367 -19.9476 -19.9443 -19.7770 -19.7763 -19.7580 -19.7541 -18.0942 -18.0942 -7.8524 -7.8523 -5.0954 -5.0887 -4.8125 -4.8123 -4.4015 -4.3934 -0.5311 -0.5297 0.8026 0.8042 1.6278 1.6286 4.5252 4.5272 9.1357 9.1373 12.2346 12.2376 12.8594 12.8640 k =-0.1920 0.1670 0.3730 ( 3465 PWs) bands (ev): -47.8978 -47.8978 -22.9353 -22.9351 -19.9478 -19.9444 -19.7771 -19.7764 -19.7581 -19.7542 -18.0956 -18.0956 -7.8553 -7.8552 -5.1081 -5.1016 -4.8074 -4.8072 -4.4007 -4.3928 -0.5360 -0.5346 0.8105 0.8122 1.6367 1.6375 4.5194 4.5214 9.2102 9.2117 12.2016 12.2047 12.7781 12.7827 k =-0.1978 0.1721 0.3843 ( 3469 PWs) bands (ev): -47.8978 -47.8978 -22.9338 -22.9337 -19.9480 -19.9445 -19.7772 -19.7767 -19.7583 -19.7544 -18.0971 -18.0971 -7.8584 -7.8583 -5.1199 -5.1135 -4.8024 -4.8022 -4.4001 -4.3924 -0.5401 -0.5387 0.8184 0.8202 1.6453 1.6460 4.5147 4.5167 9.2850 9.2865 12.1673 12.1706 12.6984 12.7031 k =-0.2036 0.1772 0.3956 ( 3479 PWs) bands (ev): -47.8978 -47.8978 -22.9323 -22.9322 -19.9482 -19.9447 -19.7775 -19.7769 -19.7584 -19.7546 -18.0986 -18.0986 -7.8619 -7.8617 -5.1307 -5.1245 -4.7975 -4.7972 -4.3998 -4.3922 -0.5435 -0.5420 0.8265 0.8283 1.6536 1.6542 4.5113 4.5133 9.3600 9.3614 12.1321 12.1354 12.6202 12.6250 k =-0.2095 0.1822 0.4070 ( 3479 PWs) bands (ev): -47.8978 -47.8978 -22.9309 -22.9308 -19.9484 -19.9448 -19.7777 -19.7772 -19.7586 -19.7547 -18.1000 -18.1000 -7.8656 -7.8654 -5.1404 -5.1344 -4.7925 -4.7923 -4.3996 -4.3923 -0.5460 -0.5444 0.8346 0.8364 1.6614 1.6619 4.5093 4.5113 9.4350 9.4362 12.0960 12.0994 12.5435 12.5484 k =-0.2153 0.1873 0.4183 ( 3479 PWs) bands (ev): -47.8977 -47.8977 -22.9295 -22.9294 -19.9486 -19.9450 -19.7779 -19.7774 -19.7587 -19.7548 -18.1014 -18.1014 -7.8696 -7.8694 -5.1490 -5.1432 -4.7876 -4.7873 -4.3997 -4.3925 -0.5476 -0.5460 0.8428 0.8447 1.6689 1.6693 4.5087 4.5106 9.5098 9.5110 12.0593 12.0627 12.4682 12.4732 k =-0.2211 0.1923 0.4296 ( 3483 PWs) bands (ev): -47.8977 -47.8977 -22.9282 -22.9280 -19.9488 -19.9452 -19.7782 -19.7777 -19.7589 -19.7550 -18.1027 -18.1027 -7.8739 -7.8737 -5.1566 -5.1509 -4.7828 -4.7825 -4.4001 -4.3930 -0.5484 -0.5467 0.8511 0.8529 1.6760 1.6764 4.5094 4.5113 9.5843 9.5853 12.0220 12.0255 12.3942 12.3992 k =-0.2269 0.1974 0.4409 ( 3483 PWs) bands (ev): -47.8977 -47.8977 -22.9269 -22.9267 -19.9490 -19.9454 -19.7784 -19.7780 -19.7591 -19.7552 -18.1041 -18.1041 -7.8784 -7.8782 -5.1630 -5.1574 -4.7780 -4.7777 -4.4007 -4.3938 -0.5482 -0.5465 0.8594 0.8613 1.6826 1.6830 4.5115 4.5135 9.6582 9.6591 11.9845 11.9880 12.3214 12.3265 k =-0.2327 0.2025 0.4522 ( 3483 PWs) bands (ev): -47.8977 -47.8977 -22.9256 -22.9255 -19.9493 -19.9457 -19.7788 -19.7783 -19.7592 -19.7553 -18.1054 -18.1054 -7.8833 -7.8830 -5.1682 -5.1628 -4.7733 -4.7731 -4.4015 -4.3947 -0.5471 -0.5454 0.8677 0.8696 1.6889 1.6892 4.5150 4.5170 9.7313 9.7321 11.9468 11.9504 12.2497 12.2548 k =-0.2385 0.2075 0.4635 ( 3487 PWs) bands (ev): -47.8977 -47.8977 -22.9244 -22.9243 -19.9496 -19.9459 -19.7791 -19.7787 -19.7594 -19.7555 -18.1066 -18.1066 -7.8884 -7.8881 -5.1722 -5.1669 -4.7688 -4.7685 -4.4025 -4.3960 -0.5451 -0.5433 0.8760 0.8779 1.6948 1.6949 4.5200 4.5219 9.8035 9.8041 11.9091 11.9127 12.1790 12.1842 k =-0.2444 0.2126 0.4748 ( 3491 PWs) bands (ev): -47.8977 -47.8977 -22.9233 -22.9231 -19.9499 -19.9462 -19.7795 -19.7790 -19.7596 -19.7557 -18.1078 -18.1078 -7.8938 -7.8935 -5.1750 -5.1699 -4.7643 -4.7639 -4.4038 -4.3974 -0.5421 -0.5403 0.8843 0.8863 1.7002 1.7003 4.5263 4.5282 9.8743 9.8748 11.8716 11.8752 12.1093 12.1145 k =-0.2502 0.2176 0.4861 ( 3491 PWs) bands (ev): -47.8977 -47.8977 -22.9222 -22.9220 -19.9501 -19.9465 -19.7799 -19.7793 -19.7598 -19.7558 -18.1090 -18.1090 -7.8995 -7.8992 -5.1767 -5.1717 -4.7599 -4.7596 -4.4054 -4.3991 -0.5381 -0.5363 0.8926 0.8946 1.7053 1.7053 4.5341 4.5360 9.9437 9.9440 11.8344 11.8380 12.0404 12.0456 k =-0.2560 0.2227 0.4974 ( 3491 PWs) bands (ev): -47.8977 -47.8977 -22.9211 -22.9210 -19.9504 -19.9468 -19.7803 -19.7797 -19.7600 -19.7560 -18.1101 -18.1101 -7.9054 -7.9051 -5.1771 -5.1722 -4.7556 -4.7552 -4.4071 -4.4010 -0.5333 -0.5314 0.9008 0.9029 1.7099 1.7099 4.5433 4.5452 10.0112 10.0113 11.7975 11.8012 11.9723 11.9776 k =-0.2618 0.2278 0.5087 ( 3481 PWs) bands (ev): -47.8976 -47.8976 -22.9201 -22.9200 -19.9507 -19.9471 -19.7807 -19.7800 -19.7602 -19.7561 -18.1112 -18.1112 -7.9116 -7.9112 -5.1762 -5.1715 -4.7514 -4.7510 -4.4091 -4.4031 -0.5274 -0.5255 0.9091 0.9111 1.7141 1.7142 4.5538 4.5557 10.0765 10.0766 11.7611 11.7648 11.9051 11.9105 k =-0.2676 0.2328 0.5200 ( 3485 PWs) bands (ev): -47.8977 -47.8977 -22.9192 -22.9190 -19.9510 -19.9474 -19.7812 -19.7804 -19.7604 -19.7563 -18.1122 -18.1122 -7.9180 -7.9176 -5.1742 -5.1696 -4.7473 -4.7470 -4.4113 -4.4055 -0.5207 -0.5187 0.9172 0.9193 1.7179 1.7180 4.5658 4.5676 10.1393 10.1395 11.7250 11.7288 11.8388 11.8443 k =-0.2735 0.2379 0.5313 ( 3489 PWs) bands (ev): -47.8977 -47.8977 -22.9183 -22.9181 -19.9514 -19.9478 -19.7817 -19.7809 -19.7607 -19.7565 -18.1132 -18.1132 -7.9246 -7.9242 -5.1710 -5.1665 -4.7434 -4.7430 -4.4138 -4.4081 -0.5131 -0.5110 0.9253 0.9274 1.7213 1.7215 4.5790 4.5809 10.1993 10.1996 11.6888 11.6927 11.7739 11.7795 k =-0.2793 0.2430 0.5426 ( 3471 PWs) bands (ev): -47.8976 -47.8976 -22.9175 -22.9173 -19.9516 -19.9481 -19.7821 -19.7812 -19.7608 -19.7566 -18.1142 -18.1142 -7.9315 -7.9311 -5.1667 -5.1623 -4.7396 -4.7392 -4.4164 -4.4108 -0.5045 -0.5024 0.9333 0.9355 1.7244 1.7247 4.5937 4.5955 10.2561 10.2567 11.6512 11.6550 11.7118 11.7174 k =-0.2851 0.2480 0.5539 ( 3467 PWs) bands (ev): -47.8976 -47.8976 -22.9167 -22.9166 -19.9519 -19.9485 -19.7827 -19.7817 -19.7610 -19.7567 -18.1150 -18.1150 -7.9385 -7.9381 -5.1612 -5.1569 -4.7358 -4.7355 -4.4193 -4.4138 -0.4950 -0.4930 0.9413 0.9434 1.7271 1.7275 4.6095 4.6113 10.3094 10.3101 11.6087 11.6113 11.6571 11.6615 k =-0.2909 0.2531 0.5652 ( 3467 PWs) bands (ev): -47.8977 -47.8977 -22.9160 -22.9159 -19.9523 -19.9489 -19.7832 -19.7822 -19.7611 -19.7569 -18.1159 -18.1159 -7.9458 -7.9453 -5.1546 -5.1504 -4.7323 -4.7319 -4.4223 -4.4170 -0.4848 -0.4827 0.9491 0.9513 1.7295 1.7298 4.6266 4.6284 10.3588 10.3597 11.5566 11.5566 11.6145 11.6164 k =-0.2967 0.2581 0.5765 ( 3461 PWs) bands (ev): -47.8977 -47.8977 -22.9154 -22.9152 -19.9527 -19.9493 -19.7838 -19.7826 -19.7613 -19.7570 -18.1167 -18.1166 -7.9532 -7.9527 -5.1469 -5.1428 -4.7288 -4.7284 -4.4255 -4.4203 -0.4737 -0.4715 0.9568 0.9590 1.7314 1.7319 4.6448 4.6466 10.4039 10.4051 11.4953 11.4969 11.5799 11.5802 k =-0.3025 0.2632 0.5878 ( 3465 PWs) bands (ev): -47.8977 -47.8977 -22.9148 -22.9146 -19.9531 -19.9498 -19.7844 -19.7832 -19.7615 -19.7571 -18.1174 -18.1174 -7.9607 -7.9602 -5.1382 -5.1342 -4.7255 -4.7250 -4.4290 -4.4239 -0.4618 -0.4597 0.9644 0.9666 1.7331 1.7336 4.6642 4.6659 10.4445 10.4458 11.4317 11.4340 11.5482 11.5486 k =-0.3084 0.2683 0.5991 ( 3469 PWs) bands (ev): -47.8977 -47.8977 -22.9143 -22.9141 -19.9535 -19.9503 -19.7851 -19.7838 -19.7616 -19.7573 -18.1181 -18.1181 -7.9684 -7.9679 -5.1285 -5.1247 -4.7223 -4.7218 -4.4325 -4.4276 -0.4493 -0.4471 0.9719 0.9741 1.7345 1.7350 4.6846 4.6863 10.4802 10.4818 11.3672 11.3699 11.5184 11.5192 k =-0.3142 0.2733 0.6104 ( 3469 PWs) bands (ev): -47.8977 -47.8977 -22.9138 -22.9136 -19.9539 -19.9508 -19.7858 -19.7844 -19.7617 -19.7574 -18.1187 -18.1187 -7.9762 -7.9756 -5.1179 -5.1141 -4.7192 -4.7188 -4.4363 -4.4314 -0.4360 -0.4338 0.9792 0.9814 1.7356 1.7362 4.7060 4.7077 10.5109 10.5126 11.3023 11.3052 11.4902 11.4912 k =-0.3200 0.2784 0.6217 ( 3473 PWs) bands (ev): -47.8977 -47.8977 -22.9134 -22.9132 -19.9544 -19.9513 -19.7865 -19.7850 -19.7618 -19.7575 -18.1193 -18.1193 -7.9840 -7.9835 -5.1063 -5.1027 -4.7162 -4.7158 -4.4401 -4.4354 -0.4221 -0.4199 0.9863 0.9886 1.7364 1.7370 4.7284 4.7300 10.5363 10.5381 11.2373 11.2402 11.4632 11.4642 k =-0.3258 0.2834 0.6330 ( 3471 PWs) bands (ev): -47.8978 -47.8978 -22.9130 -22.9129 -19.9548 -19.9518 -19.7871 -19.7856 -19.7618 -19.7575 -18.1198 -18.1198 -7.9920 -7.9914 -5.0940 -5.0904 -4.7134 -4.7130 -4.4441 -4.4395 -0.4076 -0.4054 0.9933 0.9956 1.7369 1.7375 4.7516 4.7532 10.5563 10.5582 11.1720 11.1750 11.4370 11.4381 k =-0.3316 0.2885 0.6443 ( 3473 PWs) bands (ev): -47.8978 -47.8978 -22.9127 -22.9125 -19.9553 -19.9524 -19.7878 -19.7863 -19.7618 -19.7576 -18.1203 -18.1203 -7.9999 -7.9994 -5.0808 -5.0773 -4.7107 -4.7103 -4.4482 -4.4437 -0.3926 -0.3903 1.0001 1.0024 1.7371 1.7378 4.7756 4.7771 10.5708 10.5729 11.1067 11.1096 11.4117 11.4128 k =-0.3375 0.2936 0.6556 ( 3469 PWs) bands (ev): -47.8978 -47.8978 -22.9124 -22.9123 -19.9558 -19.9529 -19.7885 -19.7869 -19.7618 -19.7576 -18.1208 -18.1208 -8.0079 -8.0074 -5.0669 -5.0635 -4.7082 -4.7077 -4.4524 -4.4480 -0.3770 -0.3748 1.0068 1.0090 1.7372 1.7379 4.8003 4.8018 10.5800 10.5821 11.0414 11.0442 11.3871 11.3882 k =-0.3433 0.2986 0.6669 ( 3461 PWs) bands (ev): -47.8978 -47.8978 -22.9122 -22.9120 -19.9562 -19.9535 -19.7892 -19.7876 -19.7617 -19.7576 -18.1212 -18.1211 -8.0159 -8.0153 -5.0524 -5.0491 -4.7057 -4.7053 -4.4566 -4.4524 -0.3610 -0.3588 1.0132 1.0155 1.7370 1.7377 4.8255 4.8270 10.5838 10.5860 10.9763 10.9789 11.3632 11.3642 k =-0.3491 0.3037 0.6783 ( 3461 PWs) bands (ev): -47.8978 -47.8978 -22.9120 -22.9119 -19.9567 -19.9541 -19.7899 -19.7883 -19.7617 -19.7576 -18.1215 -18.1215 -8.0238 -8.0233 -5.0373 -5.0341 -4.7034 -4.7029 -4.4609 -4.4568 -0.3448 -0.3425 1.0195 1.0217 1.7366 1.7374 4.8513 4.8527 10.5823 10.5844 10.9115 10.9140 11.3398 11.3408 k =-0.3549 0.3088 0.6896 ( 3461 PWs) bands (ev): -47.8979 -47.8979 -22.9119 -22.9117 -19.9572 -19.9547 -19.7906 -19.7889 -19.7616 -19.7576 -18.1218 -18.1218 -8.0317 -8.0312 -5.0218 -5.0186 -4.7012 -4.7007 -4.4653 -4.4613 -0.3282 -0.3260 1.0255 1.0277 1.7361 1.7368 4.8775 4.8789 10.5755 10.5775 10.8476 10.8498 11.3171 11.3181 k =-0.3549 0.3088 0.6896 ( 3461 PWs) bands (ev): -47.8979 -47.8979 -22.9119 -22.9117 -19.9572 -19.9547 -19.7906 -19.7889 -19.7616 -19.7576 -18.1218 -18.1218 -8.0317 -8.0312 -5.0218 -5.0186 -4.7012 -4.7007 -4.4653 -4.4613 -0.3282 -0.3260 1.0255 1.0277 1.7361 1.7368 4.8775 4.8789 10.5755 10.5775 10.8476 10.8498 11.3171 11.3181 k =-0.3467 0.3016 0.6970 ( 3463 PWs) bands (ev): -47.8979 -47.8979 -22.9119 -22.9117 -19.9572 -19.9547 -19.7907 -19.7890 -19.7616 -19.7576 -18.1218 -18.1218 -8.0312 -8.0307 -5.0217 -5.0186 -4.7017 -4.7013 -4.4649 -4.4609 -0.3287 -0.3265 1.0238 1.0261 1.7366 1.7377 4.8777 4.8790 10.5724 10.5744 10.8481 10.8504 11.3178 11.3188 k =-0.3385 0.2945 0.7044 ( 3470 PWs) bands (ev): -47.8979 -47.8979 -22.9119 -22.9118 -19.9573 -19.9547 -19.7907 -19.7890 -19.7616 -19.7576 -18.1219 -18.1218 -8.0297 -8.0292 -5.0215 -5.0183 -4.7035 -4.7029 -4.4639 -4.4599 -0.3303 -0.3280 1.0188 1.0215 1.7382 1.7401 4.8782 4.8796 10.5630 10.5651 10.8497 10.8522 11.3198 11.3208 k =-0.3303 0.2874 0.7118 ( 3462 PWs) bands (ev): -47.8979 -47.8979 -22.9120 -22.9118 -19.9573 -19.9547 -19.7907 -19.7890 -19.7616 -19.7576 -18.1218 -18.1218 -8.0272 -8.0267 -5.0211 -5.0180 -4.7063 -4.7055 -4.4622 -4.4582 -0.3329 -0.3306 1.0108 1.0139 1.7412 1.7438 4.8791 4.8804 10.5477 10.5498 10.8530 10.8558 11.3233 11.3243 k =-0.3303 0.2874 0.7118 ( 3462 PWs) bands (ev): -47.8979 -47.8979 -22.9120 -22.9118 -19.9573 -19.9547 -19.7907 -19.7890 -19.7616 -19.7576 -18.1218 -18.1218 -8.0272 -8.0267 -5.0211 -5.0180 -4.7063 -4.7055 -4.4622 -4.4582 -0.3329 -0.3306 1.0108 1.0139 1.7412 1.7438 4.8791 4.8804 10.5477 10.5498 10.8530 10.8558 11.3233 11.3243 k =-0.3200 0.2784 0.7118 ( 3454 PWs) bands (ev): -47.8978 -47.8978 -22.9121 -22.9119 -19.9570 -19.9543 -19.7904 -19.7886 -19.7616 -19.7576 -18.1216 -18.1215 -8.0200 -8.0194 -5.0295 -5.0264 -4.7106 -4.7097 -4.4579 -4.4538 -0.3454 -0.3431 0.9987 1.0021 1.7448 1.7479 4.8655 4.8668 10.5373 10.5394 10.8937 10.8968 11.3403 11.3414 k =-0.3097 0.2694 0.7118 ( 3450 PWs) bands (ev): -47.8978 -47.8978 -22.9122 -22.9120 -19.9568 -19.9540 -19.7901 -19.7883 -19.7616 -19.7576 -18.1213 -18.1212 -8.0120 -8.0115 -5.0377 -5.0346 -4.7155 -4.7145 -4.4532 -4.4491 -0.3586 -0.3562 0.9848 0.9886 1.7490 1.7526 4.8524 4.8537 10.5242 10.5263 10.9360 10.9394 11.3588 11.3599 k =-0.2994 0.2604 0.7118 ( 3450 PWs) bands (ev): -47.8978 -47.8978 -22.9123 -22.9121 -19.9566 -19.9538 -19.7898 -19.7880 -19.7617 -19.7577 -18.1209 -18.1208 -8.0034 -8.0029 -5.0458 -5.0427 -4.7210 -4.7199 -4.4483 -4.4441 -0.3724 -0.3700 0.9695 0.9736 1.7536 1.7576 4.8398 4.8411 10.5093 10.5114 10.9794 10.9832 11.3785 11.3798 k =-0.2890 0.2514 0.7118 ( 3450 PWs) bands (ev): -47.8978 -47.8978 -22.9124 -22.9123 -19.9565 -19.9536 -19.7896 -19.7879 -19.7617 -19.7577 -18.1205 -18.1203 -7.9943 -7.9938 -5.0536 -5.0506 -4.7269 -4.7257 -4.4431 -4.4388 -0.3870 -0.3845 0.9530 0.9574 1.7586 1.7629 4.8277 4.8291 10.4934 10.4955 11.0236 11.0276 11.3996 11.4010 k =-0.2787 0.2425 0.7118 ( 3454 PWs) bands (ev): -47.8978 -47.8978 -22.9125 -22.9124 -19.9564 -19.9535 -19.7895 -19.7878 -19.7617 -19.7578 -18.1199 -18.1197 -7.9846 -7.9841 -5.0614 -5.0584 -4.7332 -4.7319 -4.4377 -4.4334 -0.4020 -0.3995 0.9355 0.9401 1.7637 1.7683 4.8163 4.8177 10.4771 10.4791 11.0679 11.0723 11.4220 11.4235 k =-0.2684 0.2335 0.7118 ( 3450 PWs) bands (ev): -47.8978 -47.8978 -22.9126 -22.9125 -19.9563 -19.9535 -19.7894 -19.7877 -19.7617 -19.7578 -18.1192 -18.1191 -7.9745 -7.9740 -5.0690 -5.0661 -4.7397 -4.7383 -4.4322 -4.4279 -0.4176 -0.4151 0.9172 0.9219 1.7690 1.7738 4.8056 4.8069 10.4607 10.4626 11.1121 11.1167 11.4457 11.4474 k =-0.2581 0.2245 0.7118 ( 3448 PWs) bands (ev): -47.8978 -47.8978 -22.9127 -22.9126 -19.9563 -19.9535 -19.7894 -19.7878 -19.7617 -19.7579 -18.1184 -18.1183 -7.9639 -7.9634 -5.0766 -5.0737 -4.7464 -4.7450 -4.4265 -4.4222 -0.4336 -0.4310 0.8981 0.9030 1.7743 1.7793 4.7954 4.7968 10.4446 10.4464 11.1555 11.1604 11.4708 11.4726 k =-0.2477 0.2155 0.7118 ( 3456 PWs) bands (ev): -47.8978 -47.8978 -22.9128 -22.9126 -19.9563 -19.9536 -19.7895 -19.7880 -19.7618 -19.7580 -18.1175 -18.1174 -7.9530 -7.9525 -5.0842 -5.0813 -4.7532 -4.7517 -4.4208 -4.4165 -0.4500 -0.4474 0.8786 0.8836 1.7796 1.7846 4.7860 4.7873 10.4289 10.4306 11.1977 11.2029 11.4972 11.4992 k =-0.2374 0.2065 0.7118 ( 3456 PWs) bands (ev): -47.8977 -47.8977 -22.9129 -22.9127 -19.9564 -19.9537 -19.7897 -19.7882 -19.7617 -19.7581 -18.1165 -18.1163 -7.9417 -7.9412 -5.0917 -5.0889 -4.7600 -4.7584 -4.4151 -4.4108 -0.4666 -0.4640 0.8587 0.8638 1.7848 1.7899 4.7772 4.7785 10.4138 10.4155 11.2384 11.2439 11.5251 11.5272 k =-0.2271 0.1976 0.7118 ( 3452 PWs) bands (ev): -47.8977 -47.8977 -22.9129 -22.9127 -19.9565 -19.9539 -19.7899 -19.7885 -19.7617 -19.7582 -18.1154 -18.1152 -7.9302 -7.9297 -5.0993 -5.0965 -4.7666 -4.7650 -4.4095 -4.4052 -0.4834 -0.4807 0.8387 0.8437 1.7899 1.7950 4.7690 4.7704 10.3994 10.4010 11.2771 11.2828 11.5544 11.5566 k =-0.2168 0.1886 0.7118 ( 3453 PWs) bands (ev): -47.8977 -47.8977 -22.9129 -22.9128 -19.9567 -19.9542 -19.7902 -19.7889 -19.7617 -19.7583 -18.1142 -18.1140 -7.9185 -7.9180 -5.1069 -5.1043 -4.7730 -4.7713 -4.4039 -4.3996 -0.5003 -0.4976 0.8185 0.8235 1.7948 1.7999 4.7616 4.7629 10.3858 10.3873 11.3134 11.3194 11.5853 11.5876 k =-0.2065 0.1796 0.7118 ( 3458 PWs) bands (ev): -47.8977 -47.8977 -22.9129 -22.9128 -19.9570 -19.9546 -19.7906 -19.7893 -19.7617 -19.7584 -18.1129 -18.1127 -7.9066 -7.9062 -5.1146 -5.1121 -4.7791 -4.7774 -4.3984 -4.3942 -0.5171 -0.5144 0.7983 0.8033 1.7996 1.8046 4.7547 4.7560 10.3729 10.3743 11.3472 11.3533 11.6177 11.6200 k =-0.1961 0.1706 0.7118 ( 3464 PWs) bands (ev): -47.8977 -47.8977 -22.9129 -22.9128 -19.9573 -19.9550 -19.7911 -19.7899 -19.7617 -19.7586 -18.1115 -18.1112 -7.8947 -7.8944 -5.1224 -5.1200 -4.7848 -4.7830 -4.3931 -4.3890 -0.5338 -0.5311 0.7782 0.7832 1.8041 1.8090 4.7485 4.7497 10.3609 10.3622 11.3781 11.3843 11.6515 11.6539 k =-0.1858 0.1616 0.7118 ( 3465 PWs) bands (ev): -47.8977 -47.8977 -22.9129 -22.9128 -19.9576 -19.9554 -19.7916 -19.7904 -19.7617 -19.7587 -18.1100 -18.1098 -7.8828 -7.8825 -5.1303 -5.1280 -4.7901 -4.7883 -4.3880 -4.3840 -0.5502 -0.5476 0.7584 0.7633 1.8085 1.8132 4.7429 4.7441 10.3496 10.3509 11.4061 11.4123 11.6866 11.6891 k =-0.1755 0.1527 0.7118 ( 3469 PWs) bands (ev): -47.8977 -47.8977 -22.9129 -22.9127 -19.9579 -19.9559 -19.7922 -19.7911 -19.7616 -19.7588 -18.1084 -18.1082 -7.8710 -7.8707 -5.1383 -5.1362 -4.7948 -4.7930 -4.3831 -4.3792 -0.5663 -0.5637 0.7389 0.7436 1.8126 1.8172 4.7379 4.7391 10.3391 10.3403 11.4314 11.4375 11.7230 11.7254 k =-0.1652 0.1437 0.7118 ( 3478 PWs) bands (ev): -47.8977 -47.8977 -22.9128 -22.9127 -19.9584 -19.9565 -19.7928 -19.7918 -19.7617 -19.7590 -18.1068 -18.1066 -7.8594 -7.8591 -5.1464 -5.1444 -4.7991 -4.7972 -4.3785 -4.3747 -0.5820 -0.5794 0.7198 0.7244 1.8165 1.8209 4.7334 4.7346 10.3295 10.3306 11.4538 11.4598 11.7602 11.7626 k =-0.1548 0.1347 0.7118 ( 3478 PWs) bands (ev): -47.8977 -47.8977 -22.9127 -22.9126 -19.9588 -19.9570 -19.7934 -19.7925 -19.7616 -19.7591 -18.1052 -18.1050 -7.8480 -7.8477 -5.1546 -5.1527 -4.8027 -4.8009 -4.3741 -4.3704 -0.5971 -0.5946 0.7013 0.7057 1.8202 1.8244 4.7295 4.7306 10.3205 10.3216 11.4737 11.4795 11.7982 11.8005 k =-0.1445 0.1257 0.7118 ( 3477 PWs) bands (ev): -47.8977 -47.8977 -22.9126 -22.9125 -19.9592 -19.9576 -19.7941 -19.7932 -19.7616 -19.7593 -18.1035 -18.1033 -7.8368 -7.8366 -5.1627 -5.1609 -4.8058 -4.8040 -4.3700 -4.3665 -0.6116 -0.6091 0.6834 0.6876 1.8236 1.8276 4.7261 4.7271 10.3124 10.3134 11.4911 11.4968 11.8365 11.8387 k =-0.1342 0.1167 0.7118 ( 3477 PWs) bands (ev): -47.8977 -47.8977 -22.9125 -22.9124 -19.9597 -19.9582 -19.7948 -19.7939 -19.7615 -19.7594 -18.1019 -18.1017 -7.8261 -7.8258 -5.1708 -5.1692 -4.8084 -4.8066 -4.3663 -4.3629 -0.6254 -0.6230 0.6662 0.6702 1.8268 1.8306 4.7231 4.7241 10.3049 10.3058 11.5064 11.5117 11.8749 11.8770 k =-0.1239 0.1078 0.7118 ( 3471 PWs) bands (ev): -47.8977 -47.8977 -22.9124 -22.9123 -19.9601 -19.9587 -19.7954 -19.7946 -19.7614 -19.7595 -18.1003 -18.1001 -7.8158 -7.8155 -5.1787 -5.1772 -4.8104 -4.8086 -4.3628 -4.3596 -0.6384 -0.6361 0.6499 0.6537 1.8298 1.8334 4.7206 4.7215 10.2981 10.2990 11.5196 11.5246 11.9132 11.9151 k =-0.1135 0.0988 0.7118 ( 3465 PWs) bands (ev): -47.8977 -47.8977 -22.9123 -22.9122 -19.9605 -19.9593 -19.7960 -19.7953 -19.7614 -19.7596 -18.0987 -18.0985 -7.8060 -7.8058 -5.1865 -5.1851 -4.8119 -4.8102 -4.3596 -4.3566 -0.6505 -0.6484 0.6344 0.6380 1.8326 1.8359 4.7184 4.7193 10.2920 10.2928 11.5310 11.5357 11.9508 11.9527 k =-0.1032 0.0898 0.7118 ( 3467 PWs) bands (ev): -47.8977 -47.8977 -22.9122 -22.9121 -19.9610 -19.9599 -19.7967 -19.7960 -19.7613 -19.7597 -18.0972 -18.0970 -7.7967 -7.7966 -5.1939 -5.1927 -4.8130 -4.8114 -4.3568 -4.3540 -0.6618 -0.6598 0.6200 0.6232 1.8351 1.8381 4.7166 4.7174 10.2865 10.2872 11.5407 11.5450 11.9876 11.9893 k =-0.0929 0.0808 0.7118 ( 3464 PWs) bands (ev): -47.8977 -47.8977 -22.9121 -22.9120 -19.9614 -19.9604 -19.7973 -19.7967 -19.7612 -19.7598 -18.0957 -18.0956 -7.7882 -7.7880 -5.2010 -5.1998 -4.8138 -4.8122 -4.3543 -4.3517 -0.6721 -0.6702 0.6066 0.6096 1.8375 1.8402 4.7150 4.7158 10.2816 10.2822 11.5490 11.5529 12.0230 12.0247 k =-0.0826 0.0718 0.7118 ( 3458 PWs) bands (ev): -47.8976 -47.8976 -22.9120 -22.9119 -19.9618 -19.9609 -19.7978 -19.7973 -19.7611 -19.7598 -18.0944 -18.0942 -7.7803 -7.7802 -5.2075 -5.2066 -4.8142 -4.8128 -4.3521 -4.3497 -0.6814 -0.6797 0.5944 0.5971 1.8395 1.8420 4.7138 4.7145 10.2773 10.2779 11.5560 11.5595 12.0568 12.0583 k =-0.0723 0.0629 0.7118 ( 3454 PWs) bands (ev): -47.8976 -47.8976 -22.9119 -22.9119 -19.9622 -19.9614 -19.7983 -19.7978 -19.7611 -19.7599 -18.0931 -18.0930 -7.7732 -7.7731 -5.2136 -5.2127 -4.8143 -4.8131 -4.3501 -4.3480 -0.6896 -0.6881 0.5834 0.5858 1.8414 1.8435 4.7128 4.7134 10.2736 10.2741 11.5618 11.5649 12.0884 12.0897 k =-0.0619 0.0539 0.7118 ( 3456 PWs) bands (ev): -47.8976 -47.8976 -22.9118 -22.9118 -19.9625 -19.9619 -19.7988 -19.7984 -19.7610 -19.7600 -18.0920 -18.0919 -7.7670 -7.7669 -5.2190 -5.2183 -4.8143 -4.8132 -4.3485 -4.3466 -0.6968 -0.6955 0.5738 0.5759 1.8430 1.8449 4.7120 4.7125 10.2704 10.2708 11.5666 11.5693 12.1173 12.1185 k =-0.0516 0.0449 0.7118 ( 3454 PWs) bands (ev): -47.8976 -47.8976 -22.9117 -22.9117 -19.9628 -19.9623 -19.7992 -19.7988 -19.7609 -19.7601 -18.0911 -18.0910 -7.7616 -7.7615 -5.2237 -5.2231 -4.8142 -4.8132 -4.3471 -4.3455 -0.7029 -0.7018 0.5656 0.5673 1.8444 1.8460 4.7114 4.7118 10.2677 10.2681 11.5705 11.5727 12.1430 12.1440 k =-0.0413 0.0359 0.7118 ( 3458 PWs) bands (ev): -47.8976 -47.8976 -22.9117 -22.9116 -19.9631 -19.9627 -19.7995 -19.7992 -19.7609 -19.7602 -18.0903 -18.0902 -7.7571 -7.7570 -5.2276 -5.2272 -4.8140 -4.8132 -4.3459 -4.3447 -0.7079 -0.7070 0.5588 0.5602 1.8456 1.8468 4.7109 4.7112 10.2656 10.2658 11.5736 11.5754 12.1649 12.1658 k =-0.0310 0.0269 0.7118 ( 3456 PWs) bands (ev): -47.8976 -47.8976 -22.9116 -22.9116 -19.9633 -19.9629 -19.7998 -19.7996 -19.7608 -19.7603 -18.0896 -18.0896 -7.7536 -7.7535 -5.2308 -5.2304 -4.8137 -4.8131 -4.3450 -4.3441 -0.7118 -0.7111 0.5535 0.5545 1.8465 1.8475 4.7106 4.7108 10.2639 10.2641 11.5759 11.5773 12.1827 12.1833 k =-0.0206 0.0180 0.7118 ( 3457 PWs) bands (ev): -47.8976 -47.8976 -22.9116 -22.9116 -19.9634 -19.9632 -19.8000 -19.7998 -19.7607 -19.7604 -18.0892 -18.0891 -7.7510 -7.7510 -5.2330 -5.2328 -4.8135 -4.8131 -4.3443 -4.3437 -0.7145 -0.7141 0.5497 0.5504 1.8472 1.8479 4.7103 4.7105 10.2627 10.2629 11.5776 11.5786 12.1957 12.1962 k =-0.0103 0.0090 0.7118 ( 3456 PWs) bands (ev): -47.8976 -47.8976 -22.9115 -22.9115 -19.9634 -19.9633 -19.8000 -19.8000 -19.7606 -19.7605 -18.0889 -18.0889 -7.7495 -7.7495 -5.2343 -5.2342 -4.8133 -4.8131 -4.3439 -4.3435 -0.7161 -0.7159 0.5475 0.5479 1.8477 1.8480 4.7102 4.7103 10.2621 10.2621 11.5787 11.5792 12.2038 12.2040 k = 0.0000 0.0000 0.7118 ( 3460 PWs) bands (ev): -47.8976 -47.8976 -22.9115 -22.9115 -19.9634 -19.9634 -19.8001 -19.8001 -19.7606 -19.7606 -18.0888 -18.0888 -7.7490 -7.7490 -5.2347 -5.2347 -4.8131 -4.8131 -4.3436 -4.3436 -0.7166 -0.7166 0.5469 0.5469 1.8480 1.8480 4.7102 4.7102 10.2619 10.2619 11.5793 11.5793 12.2065 12.2065 k = 0.0000 0.0000 0.7118 ( 3460 PWs) bands (ev): -47.8976 -47.8976 -22.9115 -22.9115 -19.9634 -19.9634 -19.8001 -19.8001 -19.7606 -19.7606 -18.0888 -18.0888 -7.7490 -7.7490 -5.2347 -5.2347 -4.8131 -4.8131 -4.3436 -4.3436 -0.7166 -0.7166 0.5469 0.5469 1.8480 1.8480 4.7102 4.7102 10.2619 10.2619 11.5793 11.5793 12.2065 12.2065 k = 0.0089 0.0103 0.7118 ( 3456 PWs) bands (ev): -47.8976 -47.8976 -22.9115 -22.9115 -19.9636 -19.9632 -19.8003 -19.7998 -19.7606 -19.7605 -18.0888 -18.0888 -7.7491 -7.7491 -5.2350 -5.2348 -4.8131 -4.8128 -4.3438 -4.3437 -0.7164 -0.7162 0.5469 0.5470 1.8481 1.8481 4.7101 4.7103 10.2628 10.2630 11.5791 11.5792 12.2039 12.2044 k = 0.0179 0.0205 0.7118 ( 3456 PWs) bands (ev): -47.8976 -47.8976 -22.9116 -22.9116 -19.9638 -19.9630 -19.8005 -19.7995 -19.7606 -19.7604 -18.0888 -18.0888 -7.7493 -7.7492 -5.2355 -5.2351 -4.8128 -4.8123 -4.3442 -4.3440 -0.7156 -0.7153 0.5470 0.5471 1.8482 1.8482 4.7099 4.7104 10.2658 10.2662 11.5786 11.5790 12.1964 12.1975 k = 0.0268 0.0308 0.7118 ( 3452 PWs) bands (ev): -47.8976 -47.8976 -22.9117 -22.9117 -19.9639 -19.9628 -19.8008 -19.7992 -19.7605 -19.7602 -18.0889 -18.0887 -7.7496 -7.7496 -5.2364 -5.2358 -4.8121 -4.8114 -4.3448 -4.3446 -0.7143 -0.7139 0.5470 0.5472 1.8486 1.8486 4.7097 4.7104 10.2708 10.2714 11.5779 11.5785 12.1843 12.1859 k = 0.0357 0.0411 0.7118 ( 3452 PWs) bands (ev): -47.8976 -47.8976 -22.9118 -22.9118 -19.9640 -19.9625 -19.8010 -19.7990 -19.7604 -19.7600 -18.0889 -18.0888 -7.7501 -7.7500 -5.2375 -5.2367 -4.8112 -4.8102 -4.3457 -4.3454 -0.7125 -0.7120 0.5472 0.5473 1.8490 1.8490 4.7094 4.7104 10.2779 10.2787 11.5771 11.5778 12.1678 12.1699 k = 0.0446 0.0513 0.7118 ( 3448 PWs) bands (ev): -47.8976 -47.8976 -22.9119 -22.9119 -19.9641 -19.9622 -19.8012 -19.7986 -19.7602 -19.7598 -18.0890 -18.0888 -7.7507 -7.7506 -5.2388 -5.2379 -4.8100 -4.8088 -4.3468 -4.3464 -0.7102 -0.7095 0.5473 0.5475 1.8495 1.8495 4.7091 4.7104 10.2870 10.2881 11.5759 11.5768 12.1469 12.1495 k = 0.0536 0.0616 0.7118 ( 3448 PWs) bands (ev): -47.8976 -47.8976 -22.9120 -22.9120 -19.9642 -19.9620 -19.8014 -19.7984 -19.7601 -19.7595 -18.0890 -18.0888 -7.7514 -7.7513 -5.2405 -5.2394 -4.8086 -4.8071 -4.3481 -4.3476 -0.7074 -0.7067 0.5475 0.5478 1.8501 1.8501 4.7088 4.7103 10.2981 10.2994 11.5746 11.5757 12.1222 12.1252 k = 0.0625 0.0718 0.7118 ( 3450 PWs) bands (ev): -47.8976 -47.8976 -22.9122 -22.9122 -19.9642 -19.9617 -19.8016 -19.7981 -19.7599 -19.7592 -18.0891 -18.0888 -7.7522 -7.7520 -5.2423 -5.2410 -4.8069 -4.8052 -4.3497 -4.3490 -0.7042 -0.7033 0.5477 0.5480 1.8508 1.8508 4.7084 4.7102 10.3112 10.3127 11.5731 11.5743 12.0937 12.0972 k = 0.0714 0.0821 0.7118 ( 3454 PWs) bands (ev): -47.8976 -47.8976 -22.9124 -22.9124 -19.9643 -19.9614 -19.8018 -19.7978 -19.7597 -19.7589 -18.0892 -18.0888 -7.7531 -7.7529 -5.2443 -5.2429 -4.8051 -4.8031 -4.3513 -4.3506 -0.7006 -0.6996 0.5479 0.5483 1.8516 1.8516 4.7080 4.7100 10.3263 10.3279 11.5714 11.5728 12.0620 12.0658 k = 0.0804 0.0924 0.7118 ( 3458 PWs) bands (ev): -47.8976 -47.8976 -22.9126 -22.9126 -19.9643 -19.9611 -19.8020 -19.7975 -19.7594 -19.7586 -18.0893 -18.0889 -7.7540 -7.7539 -5.2465 -5.2449 -4.8030 -4.8009 -4.3532 -4.3524 -0.6967 -0.6956 0.5482 0.5486 1.8524 1.8525 4.7076 4.7098 10.3432 10.3450 11.5695 11.5711 12.0272 12.0314 k = 0.0893 0.1026 0.7118 ( 3458 PWs) bands (ev): -47.8976 -47.8976 -22.9129 -22.9129 -19.9644 -19.9608 -19.8022 -19.7972 -19.7591 -19.7582 -18.0894 -18.0889 -7.7551 -7.7549 -5.2488 -5.2471 -4.8009 -4.7985 -4.3551 -4.3543 -0.6925 -0.6913 0.5485 0.5489 1.8534 1.8534 4.7072 4.7096 10.3619 10.3639 11.5675 11.5692 11.9899 11.9944 k = 0.0982 0.1129 0.7118 ( 3458 PWs) bands (ev): -47.8976 -47.8976 -22.9131 -22.9131 -19.9644 -19.9605 -19.8023 -19.7969 -19.7588 -19.7578 -18.0894 -18.0890 -7.7562 -7.7560 -5.2512 -5.2494 -4.7986 -4.7961 -4.3572 -4.3562 -0.6881 -0.6867 0.5488 0.5493 1.8544 1.8544 4.7067 4.7094 10.3825 10.3847 11.5654 11.5672 11.9503 11.9551 k = 0.1071 0.1232 0.7118 ( 3462 PWs) bands (ev): -47.8976 -47.8976 -22.9134 -22.9134 -19.9644 -19.9602 -19.8025 -19.7967 -19.7585 -19.7574 -18.0895 -18.0890 -7.7574 -7.7572 -5.2537 -5.2517 -4.7963 -4.7936 -4.3593 -4.3583 -0.6834 -0.6820 0.5491 0.5496 1.8554 1.8554 4.7063 4.7091 10.4048 10.4071 11.5631 11.5651 11.9087 11.9138 k = 0.1161 0.1334 0.7118 ( 3470 PWs) bands (ev): -47.8976 -47.8976 -22.9136 -22.9136 -19.9644 -19.9599 -19.8027 -19.7965 -19.7582 -19.7570 -18.0896 -18.0891 -7.7585 -7.7583 -5.2562 -5.2541 -4.7939 -4.7910 -4.3615 -4.3604 -0.6788 -0.6772 0.5495 0.5500 1.8565 1.8565 4.7058 4.7089 10.4287 10.4312 11.5607 11.5629 11.8656 11.8708 k = 0.1250 0.1437 0.7118 ( 3470 PWs) bands (ev): -47.8976 -47.8976 -22.9139 -22.9139 -19.9644 -19.9596 -19.8028 -19.7962 -19.7579 -19.7566 -18.0897 -18.0892 -7.7597 -7.7595 -5.2587 -5.2565 -4.7915 -4.7884 -4.3637 -4.3625 -0.6740 -0.6724 0.5498 0.5504 1.8576 1.8576 4.7054 4.7086 10.4541 10.4568 11.5583 11.5606 11.8211 11.8266 k = 0.1339 0.1539 0.7118 ( 3468 PWs) bands (ev): -47.8976 -47.8976 -22.9142 -22.9142 -19.9643 -19.9593 -19.8029 -19.7960 -19.7575 -19.7561 -18.0898 -18.0892 -7.7609 -7.7607 -5.2611 -5.2589 -4.7891 -4.7859 -4.3658 -4.3646 -0.6692 -0.6675 0.5502 0.5508 1.8587 1.8587 4.7049 4.7084 10.4810 10.4838 11.5559 11.5583 11.7758 11.7815 k = 0.1429 0.1642 0.7118 ( 3468 PWs) bands (ev): -47.8976 -47.8976 -22.9144 -22.9144 -19.9643 -19.9590 -19.8030 -19.7957 -19.7571 -19.7557 -18.0899 -18.0893 -7.7621 -7.7619 -5.2635 -5.2612 -4.7867 -4.7835 -4.3680 -4.3667 -0.6645 -0.6627 0.5505 0.5511 1.8598 1.8598 4.7045 4.7081 10.5092 10.5121 11.5535 11.5560 11.7298 11.7356 k = 0.1518 0.1745 0.7118 ( 3470 PWs) bands (ev): -47.8976 -47.8976 -22.9147 -22.9147 -19.9643 -19.9588 -19.8031 -19.7955 -19.7568 -19.7553 -18.0900 -18.0893 -7.7633 -7.7630 -5.2658 -5.2634 -4.7845 -4.7811 -4.3701 -4.3688 -0.6599 -0.6581 0.5508 0.5515 1.8609 1.8609 4.7041 4.7078 10.5386 10.5416 11.5511 11.5537 11.6836 11.6895 k = 0.1607 0.1847 0.7118 ( 3476 PWs) bands (ev): -47.8976 -47.8976 -22.9149 -22.9149 -19.9643 -19.9585 -19.8033 -19.7953 -19.7565 -19.7549 -18.0901 -18.0894 -7.7644 -7.7641 -5.2680 -5.2656 -4.7823 -4.7788 -4.3721 -4.3707 -0.6556 -0.6536 0.5512 0.5519 1.8619 1.8619 4.7036 4.7075 10.5688 10.5720 11.5488 11.5514 11.6374 11.6435 k = 0.1696 0.1950 0.7118 ( 3474 PWs) bands (ev): -47.8976 -47.8976 -22.9152 -22.9152 -19.9642 -19.9583 -19.8033 -19.7951 -19.7562 -19.7546 -18.0901 -18.0894 -7.7654 -7.7652 -5.2701 -5.2676 -4.7803 -4.7767 -4.3739 -4.3725 -0.6514 -0.6494 0.5515 0.5522 1.8629 1.8629 4.7033 4.7073 10.5998 10.6030 11.5465 11.5493 11.5916 11.5978 k = 0.1786 0.2053 0.7118 ( 3474 PWs) bands (ev): -47.8976 -47.8976 -22.9154 -22.9154 -19.9642 -19.9581 -19.8034 -19.7950 -19.7559 -19.7542 -18.0902 -18.0895 -7.7664 -7.7661 -5.2720 -5.2694 -4.7784 -4.7748 -4.3757 -4.3742 -0.6475 -0.6455 0.5517 0.5525 1.8639 1.8639 4.7029 4.7070 10.6312 10.6345 11.5442 11.5470 11.5472 11.5532 k = 0.1875 0.2155 0.7118 ( 3478 PWs) bands (ev): -47.8976 -47.8976 -22.9156 -22.9156 -19.9641 -19.9579 -19.8035 -19.7948 -19.7556 -19.7539 -18.0903 -18.0895 -7.7673 -7.7670 -5.2737 -5.2711 -4.7767 -4.7730 -4.3773 -4.3758 -0.6440 -0.6419 0.5520 0.5528 1.8647 1.8648 4.7026 4.7068 10.6626 10.6659 11.5032 11.5097 11.5425 11.5454 k = 0.1964 0.2258 0.7118 ( 3478 PWs) bands (ev): -47.8976 -47.8976 -22.9158 -22.9158 -19.9641 -19.9577 -19.8036 -19.7947 -19.7554 -19.7536 -18.0903 -18.0896 -7.7681 -7.7678 -5.2753 -5.2726 -4.7752 -4.7714 -4.3787 -4.3772 -0.6408 -0.6387 0.5522 0.5530 1.8655 1.8655 4.7023 4.7066 10.6933 10.6967 11.4618 11.4684 11.5408 11.5437 k = 0.2054 0.2361 0.7118 ( 3476 PWs) bands (ev): -47.8976 -47.8976 -22.9159 -22.9159 -19.9641 -19.9575 -19.8036 -19.7946 -19.7552 -19.7534 -18.0904 -18.0896 -7.7688 -7.7685 -5.2766 -5.2739 -4.7739 -4.7700 -4.3799 -4.3784 -0.6381 -0.6359 0.5524 0.5532 1.8662 1.8662 4.7021 4.7065 10.7228 10.7261 11.4231 11.4299 11.5393 11.5422 k = 0.2143 0.2463 0.7118 ( 3472 PWs) bands (ev): -47.8976 -47.8976 -22.9161 -22.9160 -19.9640 -19.9574 -19.8036 -19.7944 -19.7549 -19.7531 -18.0904 -18.0896 -7.7694 -7.7691 -5.2777 -5.2750 -4.7728 -4.7689 -4.3809 -4.3794 -0.6358 -0.6336 0.5526 0.5534 1.8667 1.8668 4.7018 4.7063 10.7500 10.7533 11.3884 11.3952 11.5380 11.5410 k = 0.2232 0.2566 0.7118 ( 3470 PWs) bands (ev): -47.8976 -47.8976 -22.9162 -22.9161 -19.9640 -19.9573 -19.8037 -19.7944 -19.7548 -19.7529 -18.0904 -18.0897 -7.7698 -7.7695 -5.2786 -5.2758 -4.7719 -4.7680 -4.3817 -4.3802 -0.6340 -0.6318 0.5528 0.5536 1.8672 1.8672 4.7017 4.7062 10.7738 10.7770 11.3587 11.3657 11.5369 11.5400 k = 0.2321 0.2668 0.7118 ( 3474 PWs) bands (ev): -47.8976 -47.8976 -22.9162 -22.9162 -19.9640 -19.9572 -19.8037 -19.7943 -19.7547 -19.7528 -18.0905 -18.0897 -7.7702 -7.7699 -5.2792 -5.2765 -4.7713 -4.7674 -4.3823 -4.3807 -0.6328 -0.6305 0.5529 0.5537 1.8676 1.8676 4.7015 4.7061 10.7925 10.7956 11.3357 11.3428 11.5362 11.5392 k = 0.2411 0.2771 0.7118 ( 3468 PWs) bands (ev): -47.8976 -47.8976 -22.9163 -22.9163 -19.9640 -19.9572 -19.8037 -19.7943 -19.7546 -19.7527 -18.0905 -18.0897 -7.7704 -7.7701 -5.2796 -5.2768 -4.7709 -4.7670 -4.3826 -4.3811 -0.6320 -0.6297 0.5529 0.5538 1.8678 1.8678 4.7015 4.7060 10.8046 10.8077 11.3211 11.3282 11.5357 11.5388 k = 0.2500 0.2874 0.7118 ( 3472 PWs) bands (ev): -47.8976 -47.8976 -22.9163 -22.9163 -19.9640 -19.9572 -19.8038 -19.7943 -19.7546 -19.7527 -18.0905 -18.0897 -7.7704 -7.7701 -5.2797 -5.2770 -4.7708 -4.7669 -4.3828 -4.3812 -0.6317 -0.6295 0.5529 0.5538 1.8678 1.8679 4.7014 4.7060 10.8087 10.8119 11.3160 11.3232 11.5356 11.5387 k = 0.2500 0.2874 0.7118 ( 3472 PWs) bands (ev): -47.8976 -47.8976 -22.9163 -22.9163 -19.9640 -19.9572 -19.8038 -19.7943 -19.7546 -19.7527 -18.0905 -18.0897 -7.7704 -7.7701 -5.2797 -5.2770 -4.7708 -4.7669 -4.3828 -4.3812 -0.6317 -0.6295 0.5529 0.5538 1.8678 1.8679 4.7014 4.7060 10.8087 10.8119 11.3160 11.3232 11.5356 11.5387 k = 0.2417 0.2946 0.7043 ( 3470 PWs) bands (ev): -47.8976 -47.8976 -22.9163 -22.9163 -19.9639 -19.9571 -19.8037 -19.7942 -19.7546 -19.7527 -18.0905 -18.0897 -7.7709 -7.7706 -5.2791 -5.2764 -4.7712 -4.7673 -4.3827 -4.3811 -0.6316 -0.6293 0.5540 0.5548 1.8676 1.8677 4.7012 4.7058 10.8076 10.8107 11.2966 11.3030 11.5576 11.5599 k = 0.2333 0.3019 0.6967 ( 3470 PWs) bands (ev): -47.8976 -47.8976 -22.9164 -22.9164 -19.9638 -19.9570 -19.8035 -19.7941 -19.7546 -19.7527 -18.0907 -18.0899 -7.7722 -7.7719 -5.2775 -5.2748 -4.7725 -4.7685 -4.3824 -4.3807 -0.6311 -0.6289 0.5572 0.5580 1.8670 1.8671 4.7005 4.7051 10.8041 10.8071 11.2520 11.2573 11.6090 11.6100 k = 0.2250 0.3091 0.6892 ( 3474 PWs) bands (ev): -47.8976 -47.8976 -22.9165 -22.9165 -19.9635 -19.9568 -19.8032 -19.7939 -19.7545 -19.7527 -18.0910 -18.0902 -7.7744 -7.7741 -5.2749 -5.2722 -4.7745 -4.7705 -4.3821 -4.3802 -0.6303 -0.6281 0.5623 0.5632 1.8660 1.8662 4.6994 4.7039 10.7981 10.8010 11.1984 11.2030 11.6728 11.6729 k = 0.2167 0.3164 0.6816 ( 3474 PWs) bands (ev): -47.8976 -47.8976 -22.9167 -22.9167 -19.9632 -19.9565 -19.8028 -19.7936 -19.7545 -19.7526 -18.0913 -18.0906 -7.7775 -7.7772 -5.2713 -5.2685 -4.7773 -4.7731 -4.3816 -4.3796 -0.6293 -0.6271 0.5696 0.5704 1.8645 1.8648 4.6978 4.7023 10.7894 10.7922 11.1429 11.1471 11.7416 11.7421 k = 0.2083 0.3236 0.6741 ( 3480 PWs) bands (ev): -47.8977 -47.8977 -22.9170 -22.9170 -19.9628 -19.9562 -19.8023 -19.7932 -19.7545 -19.7526 -18.0918 -18.0910 -7.7813 -7.7810 -5.2667 -5.2640 -4.7806 -4.7764 -4.3811 -4.3789 -0.6279 -0.6258 0.5787 0.5796 1.8628 1.8631 4.6957 4.7002 10.7778 10.7802 11.0885 11.0925 11.8132 11.8143 k = 0.2000 0.3309 0.6666 ( 3478 PWs) bands (ev): -47.8976 -47.8976 -22.9173 -22.9173 -19.9622 -19.9558 -19.8017 -19.7927 -19.7544 -19.7526 -18.0924 -18.0916 -7.7859 -7.7856 -5.2613 -5.2586 -4.7844 -4.7801 -4.3806 -4.3782 -0.6263 -0.6242 0.5897 0.5906 1.8607 1.8611 4.6933 4.6977 10.7626 10.7648 11.0369 11.0408 11.8865 11.8880 k = 0.1917 0.3381 0.6590 ( 3478 PWs) bands (ev): -47.8976 -47.8976 -22.9177 -22.9176 -19.9616 -19.9553 -19.8010 -19.7921 -19.7543 -19.7525 -18.0930 -18.0923 -7.7912 -7.7909 -5.2552 -5.2524 -4.7885 -4.7841 -4.3802 -4.3776 -0.6243 -0.6223 0.6023 0.6033 1.8582 1.8587 4.6904 4.6948 10.7435 10.7453 10.9892 10.9932 11.9605 11.9623 k = 0.1833 0.3454 0.6515 ( 3478 PWs) bands (ev): -47.8976 -47.8976 -22.9180 -22.9180 -19.9609 -19.9547 -19.8002 -19.7915 -19.7542 -19.7524 -18.0937 -18.0930 -7.7971 -7.7968 -5.2484 -5.2457 -4.7928 -4.7883 -4.3800 -4.3772 -0.6220 -0.6202 0.6165 0.6175 1.8555 1.8560 4.6872 4.6915 10.7199 10.7214 10.9463 10.9505 12.0344 12.0367 k = 0.1750 0.3526 0.6440 ( 3484 PWs) bands (ev): -47.8977 -47.8977 -22.9185 -22.9185 -19.9602 -19.9542 -19.7993 -19.7908 -19.7541 -19.7523 -18.0945 -18.0938 -7.8035 -7.8033 -5.2412 -5.2384 -4.7971 -4.7925 -4.3800 -4.3770 -0.6195 -0.6177 0.6321 0.6332 1.8524 1.8530 4.6836 4.6878 10.6916 10.6929 10.9088 10.9131 12.1077 12.1104 k = 0.1667 0.3599 0.6364 ( 3478 PWs) bands (ev): -47.8976 -47.8976 -22.9189 -22.9189 -19.9594 -19.9535 -19.7983 -19.7900 -19.7540 -19.7522 -18.0954 -18.0947 -7.8105 -7.8102 -5.2336 -5.2308 -4.8012 -4.7966 -4.3803 -4.3772 -0.6166 -0.6149 0.6490 0.6501 1.8492 1.8498 4.6797 4.6838 10.6592 10.6603 10.8764 10.8808 12.1796 12.1827 k = 0.1583 0.3671 0.6289 ( 3474 PWs) bands (ev): -47.8976 -47.8976 -22.9194 -22.9194 -19.9585 -19.9528 -19.7972 -19.7892 -19.7538 -19.7521 -18.0963 -18.0956 -7.8178 -7.8175 -5.2258 -5.2230 -4.8050 -4.8003 -4.3809 -4.3777 -0.6135 -0.6119 0.6669 0.6680 1.8457 1.8464 4.6756 4.6795 10.6236 10.6246 10.8484 10.8528 12.2494 12.2529 k = 0.1500 0.3744 0.6214 ( 3476 PWs) bands (ev): -47.8976 -47.8976 -22.9199 -22.9199 -19.9577 -19.9522 -19.7962 -19.7883 -19.7537 -19.7519 -18.0973 -18.0966 -7.8254 -7.8251 -5.2179 -5.2152 -4.8083 -4.8036 -4.3820 -4.3787 -0.6102 -0.6086 0.6856 0.6867 1.8421 1.8428 4.6711 4.6750 10.5860 10.5869 10.8237 10.8280 12.3163 12.3202 k = 0.1417 0.3816 0.6138 ( 3478 PWs) bands (ev): -47.8976 -47.8976 -22.9205 -22.9205 -19.9568 -19.9515 -19.7950 -19.7875 -19.7535 -19.7518 -18.0983 -18.0977 -7.8332 -7.8330 -5.2101 -5.2074 -4.8110 -4.8062 -4.3835 -4.3801 -0.6066 -0.6052 0.7050 0.7061 1.8383 1.8391 4.6665 4.6703 10.5476 10.5485 10.8014 10.8056 12.3794 12.3838 k = 0.1333 0.3889 0.6063 ( 3478 PWs) bands (ev): -47.8976 -47.8976 -22.9210 -22.9210 -19.9558 -19.9508 -19.7938 -19.7866 -19.7533 -19.7517 -18.0993 -18.0987 -7.8412 -7.8409 -5.2026 -5.2000 -4.8129 -4.8080 -4.3855 -4.3820 -0.6028 -0.6015 0.7248 0.7260 1.8345 1.8353 4.6617 4.6653 10.5093 10.5102 10.7809 10.7849 12.4380 12.4427 k = 0.1250 0.3961 0.5988 ( 3474 PWs) bands (ev): -47.8976 -47.8976 -22.9216 -22.9216 -19.9549 -19.9501 -19.7926 -19.7857 -19.7531 -19.7515 -18.1004 -18.0998 -7.8492 -7.8489 -5.1956 -5.1930 -4.8138 -4.8090 -4.3880 -4.3845 -0.5989 -0.5977 0.7449 0.7461 1.8306 1.8314 4.6569 4.6603 10.4718 10.4727 10.7616 10.7654 12.4911 12.4961 k = 0.1167 0.4034 0.5912 ( 3472 PWs) bands (ev): -47.8976 -47.8976 -22.9221 -22.9221 -19.9540 -19.9495 -19.7913 -19.7848 -19.7529 -19.7513 -18.1014 -18.1009 -7.8571 -7.8569 -5.1890 -5.1865 -4.8138 -4.8090 -4.3909 -4.3874 -0.5949 -0.5938 0.7650 0.7662 1.8267 1.8275 4.6520 4.6553 10.4356 10.4365 10.7432 10.7469 12.5382 12.5434 k = 0.1083 0.4106 0.5837 ( 3474 PWs) bands (ev): -47.8976 -47.8976 -22.9227 -22.9227 -19.9531 -19.9489 -19.7901 -19.7840 -19.7526 -19.7512 -18.1024 -18.1019 -7.8649 -7.8647 -5.1831 -5.1807 -4.8128 -4.8081 -4.3944 -4.3908 -0.5909 -0.5898 0.7848 0.7860 1.8228 1.8236 4.6471 4.6502 10.4010 10.4018 10.7257 10.7291 12.5789 12.5841 k = 0.1000 0.4179 0.5762 ( 3472 PWs) bands (ev): -47.8976 -47.8976 -22.9232 -22.9232 -19.9522 -19.9482 -19.7889 -19.7832 -19.7524 -19.7510 -18.1034 -18.1030 -7.8725 -7.8723 -5.1778 -5.1755 -4.8108 -4.8061 -4.3982 -4.3947 -0.5868 -0.5859 0.8043 0.8055 1.8190 1.8198 4.6422 4.6451 10.3683 10.3691 10.7089 10.7121 12.6130 12.6182 k = 0.0917 0.4251 0.5686 ( 3474 PWs) bands (ev): -47.8976 -47.8976 -22.9237 -22.9237 -19.9513 -19.9477 -19.7877 -19.7824 -19.7521 -19.7508 -18.1044 -18.1040 -7.8797 -7.8796 -5.1733 -5.1712 -4.8078 -4.8033 -4.4023 -4.3989 -0.5828 -0.5820 0.8232 0.8243 1.8153 1.8161 4.6375 4.6402 10.3377 10.3385 10.6929 10.6959 12.6408 12.6459 k = 0.0833 0.4324 0.5611 ( 3482 PWs) bands (ev): -47.8977 -47.8977 -22.9242 -22.9242 -19.9506 -19.9472 -19.7866 -19.7817 -19.7519 -19.7507 -18.1054 -18.1050 -7.8867 -7.8865 -5.1695 -5.1675 -4.8040 -4.7996 -4.4068 -4.4035 -0.5790 -0.5782 0.8412 0.8423 1.8118 1.8125 4.6329 4.6354 10.3094 10.3101 10.6778 10.6805 12.6628 12.6676 k = 0.0750 0.4396 0.5535 ( 3482 PWs) bands (ev): -47.8977 -47.8977 -22.9247 -22.9247 -19.9498 -19.9468 -19.7856 -19.7811 -19.7516 -19.7505 -18.1063 -18.1059 -7.8931 -7.8930 -5.1664 -5.1646 -4.7994 -4.7953 -4.4115 -4.4083 -0.5752 -0.5745 0.8582 0.8592 1.8085 1.8092 4.6286 4.6309 10.2834 10.2840 10.6636 10.6661 12.6797 12.6841 k = 0.0667 0.4469 0.5460 ( 3484 PWs) bands (ev): -47.8977 -47.8977 -22.9251 -22.9251 -19.9491 -19.9464 -19.7845 -19.7806 -19.7513 -19.7503 -18.1071 -18.1067 -7.8991 -7.8990 -5.1639 -5.1623 -4.7943 -4.7905 -4.4162 -4.4132 -0.5718 -0.5711 0.8740 0.8750 1.8054 1.8061 4.6246 4.6267 10.2599 10.2605 10.6506 10.6528 12.6923 12.6962 k = 0.0583 0.4541 0.5385 ( 3484 PWs) bands (ev): -47.8977 -47.8977 -22.9255 -22.9255 -19.9484 -19.9460 -19.7836 -19.7801 -19.7511 -19.7501 -18.1078 -18.1075 -7.9045 -7.9044 -5.1620 -5.1605 -4.7889 -4.7854 -4.4209 -4.4181 -0.5685 -0.5680 0.8884 0.8893 1.8026 1.8032 4.6209 4.6227 10.2389 10.2395 10.6387 10.6407 12.7012 12.7047 k = 0.0500 0.4614 0.5309 ( 3492 PWs) bands (ev): -47.8977 -47.8977 -22.9258 -22.9258 -19.9478 -19.9458 -19.7827 -19.7797 -19.7508 -19.7500 -18.1085 -18.1082 -7.9093 -7.9092 -5.1605 -5.1593 -4.7835 -4.7803 -4.4254 -4.4228 -0.5656 -0.5652 0.9012 0.9020 1.8000 1.8006 4.6176 4.6192 10.2206 10.2211 10.6282 10.6299 12.7075 12.7105 k = 0.0417 0.4686 0.5234 ( 3502 PWs) bands (ev): -47.8977 -47.8977 -22.9261 -22.9261 -19.9473 -19.9456 -19.7820 -19.7795 -19.7506 -19.7500 -18.1091 -18.1089 -7.9134 -7.9133 -5.1595 -5.1584 -4.7783 -4.7755 -4.4295 -4.4273 -0.5631 -0.5627 0.9123 0.9130 1.7979 1.7983 4.6148 4.6161 10.2050 10.2054 10.6191 10.6205 12.7116 12.7141 k = 0.0333 0.4759 0.5159 ( 3494 PWs) bands (ev): -47.8977 -47.8977 -22.9264 -22.9264 -19.9468 -19.9454 -19.7812 -19.7792 -19.7504 -19.7499 -18.1095 -18.1094 -7.9168 -7.9168 -5.1587 -5.1579 -4.7734 -4.7712 -4.4332 -4.4313 -0.5609 -0.5606 0.9217 0.9222 1.7961 1.7965 4.6125 4.6135 10.1922 10.1925 10.6115 10.6126 12.7142 12.7162 k = 0.0250 0.4831 0.5083 ( 3484 PWs) bands (ev): -47.8977 -47.8977 -22.9266 -22.9266 -19.9463 -19.9453 -19.7806 -19.7790 -19.7502 -19.7498 -18.1099 -18.1098 -7.9195 -7.9195 -5.1581 -5.1575 -4.7693 -4.7676 -4.4361 -4.4347 -0.5591 -0.5589 0.9291 0.9295 1.7946 1.7950 4.6106 4.6115 10.1822 10.1824 10.6056 10.6064 12.7158 12.7173 k = 0.0167 0.4904 0.5008 ( 3486 PWs) bands (ev): -47.8977 -47.8977 -22.9267 -22.9267 -19.9460 -19.9453 -19.7801 -19.7790 -19.7500 -19.7498 -18.1101 -18.1101 -7.9215 -7.9214 -5.1578 -5.1573 -4.7661 -4.7649 -4.4383 -4.4373 -0.5579 -0.5577 0.9344 0.9347 1.7936 1.7938 4.6094 4.6099 10.1750 10.1752 10.6013 10.6019 12.7167 12.7177 k = 0.0083 0.4976 0.4933 ( 3480 PWs) bands (ev): -47.8976 -47.8976 -22.9268 -22.9268 -19.9456 -19.9453 -19.7796 -19.7791 -19.7499 -19.7497 -18.1103 -18.1102 -7.9226 -7.9226 -5.1575 -5.1573 -4.7640 -4.7634 -4.4395 -4.4390 -0.5571 -0.5570 0.9377 0.9379 1.7931 1.7932 4.6086 4.6089 10.1707 10.1708 10.5988 10.5991 12.7173 12.7178 k = 0.0000 0.5049 0.4857 ( 3480 PWs) bands (ev): -47.8976 -47.8976 -22.9268 -22.9268 -19.9454 -19.9454 -19.7793 -19.7793 -19.7498 -19.7498 -18.1103 -18.1103 -7.9230 -7.9230 -5.1574 -5.1574 -4.7631 -4.7631 -4.4397 -4.4397 -0.5568 -0.5568 0.9389 0.9389 1.7929 1.7929 4.6085 4.6085 10.1693 10.1693 10.5980 10.5980 12.7176 12.7176 k = 0.0000 0.5049 0.4857 ( 3480 PWs) bands (ev): -47.8976 -47.8976 -22.9268 -22.9268 -19.9454 -19.9454 -19.7793 -19.7793 -19.7498 -19.7498 -18.1103 -18.1103 -7.9230 -7.9230 -5.1574 -5.1574 -4.7631 -4.7631 -4.4397 -4.4397 -0.5568 -0.5568 0.9389 0.9389 1.7929 1.7929 4.6085 4.6085 10.1693 10.1693 10.5980 10.5980 12.7176 12.7176 k = 0.0104 0.5106 0.4797 ( 3484 PWs) bands (ev): -47.8977 -47.8977 -22.9268 -22.9268 -19.9456 -19.9454 -19.7794 -19.7793 -19.7499 -19.7497 -18.1103 -18.1103 -7.9232 -7.9231 -5.1574 -5.1572 -4.7630 -4.7630 -4.4398 -4.4396 -0.5566 -0.5565 0.9389 0.9390 1.7927 1.7928 4.6087 4.6087 10.1700 10.1700 10.5984 10.5985 12.7161 12.7162 k = 0.0209 0.5164 0.4737 ( 3486 PWs) bands (ev): -47.8977 -47.8977 -22.9267 -22.9267 -19.9457 -19.9454 -19.7794 -19.7794 -19.7501 -19.7497 -18.1104 -18.1104 -7.9236 -7.9235 -5.1572 -5.1568 -4.7627 -4.7627 -4.4399 -4.4394 -0.5558 -0.5556 0.9391 0.9393 1.7923 1.7924 4.6093 4.6094 10.1721 10.1722 10.5996 10.5999 12.7117 12.7118 k = 0.0313 0.5222 0.4677 ( 3488 PWs) bands (ev): -47.8977 -47.8977 -22.9266 -22.9266 -19.9459 -19.9454 -19.7795 -19.7795 -19.7503 -19.7498 -18.1105 -18.1105 -7.9242 -7.9241 -5.1568 -5.1562 -4.7622 -4.7622 -4.4398 -4.4391 -0.5545 -0.5542 0.9395 0.9398 1.7916 1.7917 4.6104 4.6106 10.1756 10.1757 10.6016 10.6021 12.7043 12.7045 k = 0.0418 0.5279 0.4617 ( 3482 PWs) bands (ev): -47.8977 -47.8977 -22.9264 -22.9264 -19.9460 -19.9454 -19.7796 -19.7795 -19.7505 -19.7498 -18.1106 -18.1106 -7.9251 -7.9250 -5.1562 -5.1555 -4.7615 -4.7615 -4.4397 -4.4388 -0.5525 -0.5521 0.9401 0.9405 1.7906 1.7908 4.6119 4.6122 10.1805 10.1807 10.6044 10.6051 12.6941 12.6944 k = 0.0522 0.5337 0.4558 ( 3474 PWs) bands (ev): -47.8976 -47.8976 -22.9261 -22.9261 -19.9462 -19.9454 -19.7797 -19.7796 -19.7507 -19.7499 -18.1108 -18.1108 -7.9263 -7.9262 -5.1554 -5.1545 -4.7607 -4.7605 -4.4396 -4.4384 -0.5500 -0.5495 0.9409 0.9414 1.7894 1.7896 4.6139 4.6143 10.1867 10.1870 10.6081 10.6089 12.6809 12.6813 k = 0.0626 0.5395 0.4498 ( 3473 PWs) bands (ev): -47.8976 -47.8976 -22.9258 -22.9258 -19.9464 -19.9455 -19.7798 -19.7797 -19.7510 -19.7500 -18.1110 -18.1110 -7.9277 -7.9276 -5.1545 -5.1534 -4.7596 -4.7595 -4.4394 -4.4380 -0.5470 -0.5464 0.9418 0.9424 1.7879 1.7881 4.6163 4.6168 10.1944 10.1946 10.6125 10.6134 12.6650 12.6655 k = 0.0731 0.5452 0.4438 ( 3475 PWs) bands (ev): -47.8977 -47.8977 -22.9255 -22.9254 -19.9467 -19.9456 -19.7800 -19.7798 -19.7514 -19.7502 -18.1112 -18.1112 -7.9294 -7.9292 -5.1533 -5.1520 -4.7584 -4.7582 -4.4392 -4.4376 -0.5435 -0.5428 0.9430 0.9437 1.7863 1.7865 4.6193 4.6198 10.2033 10.2036 10.6176 10.6187 12.6462 12.6468 k = 0.0835 0.5510 0.4378 ( 3472 PWs) bands (ev): -47.8977 -47.8977 -22.9251 -22.9250 -19.9470 -19.9457 -19.7802 -19.7800 -19.7518 -19.7505 -18.1115 -18.1115 -7.9313 -7.9311 -5.1519 -5.1504 -4.7569 -4.7568 -4.4390 -4.4371 -0.5394 -0.5386 0.9443 0.9451 1.7844 1.7846 4.6227 4.6233 10.2136 10.2139 10.6234 10.6247 12.6246 12.6253 k = 0.0939 0.5568 0.4318 ( 3477 PWs) bands (ev): -47.8977 -47.8977 -22.9247 -22.9246 -19.9473 -19.9459 -19.7804 -19.7802 -19.7522 -19.7507 -18.1118 -18.1118 -7.9334 -7.9332 -5.1503 -5.1487 -4.7554 -4.7552 -4.4388 -4.4367 -0.5349 -0.5340 0.9458 0.9467 1.7823 1.7826 4.6265 4.6272 10.2251 10.2255 10.6299 10.6313 12.6003 12.6011 k = 0.1044 0.5625 0.4258 ( 3483 PWs) bands (ev): -47.8977 -47.8977 -22.9242 -22.9241 -19.9477 -19.9461 -19.7807 -19.7804 -19.7527 -19.7511 -18.1122 -18.1121 -7.9357 -7.9355 -5.1484 -5.1466 -4.7537 -4.7534 -4.4386 -4.4364 -0.5299 -0.5289 0.9474 0.9484 1.7801 1.7804 4.6309 4.6317 10.2378 10.2383 10.6369 10.6385 12.5733 12.5742 k = 0.1148 0.5683 0.4198 ( 3485 PWs) bands (ev): -47.8977 -47.8977 -22.9237 -22.9236 -19.9480 -19.9463 -19.7810 -19.7807 -19.7532 -19.7514 -18.1125 -18.1125 -7.9383 -7.9381 -5.1463 -5.1444 -4.7518 -4.7516 -4.4385 -4.4361 -0.5244 -0.5233 0.9493 0.9504 1.7777 1.7781 4.6358 4.6366 10.2518 10.2523 10.6445 10.6462 12.5436 12.5446 k = 0.1253 0.5741 0.4138 ( 3485 PWs) bands (ev): -47.8977 -47.8977 -22.9231 -22.9230 -19.9484 -19.9466 -19.7812 -19.7809 -19.7537 -19.7517 -18.1129 -18.1129 -7.9411 -7.9408 -5.1439 -5.1419 -4.7498 -4.7495 -4.4384 -4.4358 -0.5184 -0.5173 0.9513 0.9525 1.7753 1.7756 4.6411 4.6420 10.2668 10.2674 10.6525 10.6543 12.5112 12.5123 k = 0.1357 0.5798 0.4078 ( 3481 PWs) bands (ev): -47.8977 -47.8977 -22.9225 -22.9224 -19.9488 -19.9468 -19.7815 -19.7811 -19.7543 -19.7521 -18.1133 -18.1133 -7.9441 -7.9438 -5.1413 -5.1391 -4.7476 -4.7474 -4.4384 -4.4356 -0.5121 -0.5108 0.9536 0.9548 1.7727 1.7731 4.6470 4.6480 10.2830 10.2836 10.6609 10.6629 12.4762 12.4774 k = 0.1461 0.5856 0.4018 ( 3477 PWs) bands (ev): -47.8977 -47.8977 -22.9219 -22.9218 -19.9491 -19.9471 -19.7818 -19.7814 -19.7548 -19.7524 -18.1137 -18.1137 -7.9473 -7.9470 -5.1384 -5.1361 -4.7454 -4.7451 -4.4384 -4.4355 -0.5053 -0.5039 0.9560 0.9573 1.7701 1.7705 4.6534 4.6544 10.3002 10.3008 10.6697 10.6718 12.4384 12.4397 k = 0.1566 0.5914 0.3958 ( 3471 PWs) bands (ev): -47.8977 -47.8977 -22.9213 -22.9212 -19.9495 -19.9474 -19.7822 -19.7817 -19.7553 -19.7528 -18.1142 -18.1142 -7.9506 -7.9503 -5.1352 -5.1328 -4.7430 -4.7428 -4.4385 -4.4354 -0.4981 -0.4967 0.9585 0.9600 1.7675 1.7680 4.6604 4.6614 10.3182 10.3189 10.6788 10.6810 12.3980 12.3994 k = 0.1670 0.5971 0.3898 ( 3469 PWs) bands (ev): -47.8977 -47.8977 -22.9206 -22.9205 -19.9499 -19.9477 -19.7826 -19.7820 -19.7558 -19.7532 -18.1146 -18.1146 -7.9542 -7.9538 -5.1317 -5.1292 -4.7406 -4.7403 -4.4388 -4.4355 -0.4906 -0.4891 0.9613 0.9628 1.7649 1.7654 4.6678 4.6689 10.3372 10.3379 10.6882 10.6904 12.3548 12.3563 k = 0.1775 0.6029 0.3838 ( 3461 PWs) bands (ev): -47.8977 -47.8977 -22.9200 -22.9198 -19.9504 -19.9480 -19.7829 -19.7823 -19.7563 -19.7535 -18.1151 -18.1151 -7.9579 -7.9575 -5.1280 -5.1254 -4.7381 -4.7378 -4.4391 -4.4358 -0.4828 -0.4812 0.9642 0.9658 1.7623 1.7628 4.6758 4.6769 10.3569 10.3575 10.6978 10.7001 12.3090 12.3105 k = 0.1879 0.6087 0.3778 ( 3461 PWs) bands (ev): -47.8977 -47.8977 -22.9193 -22.9192 -19.9508 -19.9484 -19.7833 -19.7826 -19.7569 -19.7539 -18.1156 -18.1156 -7.9617 -7.9613 -5.1240 -5.1212 -4.7356 -4.7353 -4.4396 -4.4361 -0.4747 -0.4730 0.9673 0.9689 1.7597 1.7603 4.6843 4.6855 10.3772 10.3778 10.7077 10.7100 12.2603 12.2619 k = 0.1983 0.6144 0.3718 ( 3461 PWs) bands (ev): -47.8977 -47.8977 -22.9186 -22.9185 -19.9512 -19.9488 -19.7838 -19.7829 -19.7574 -19.7543 -18.1161 -18.1161 -7.9657 -7.9653 -5.1197 -5.1168 -4.7331 -4.7327 -4.4403 -4.4367 -0.4663 -0.4645 0.9705 0.9722 1.7572 1.7578 4.6933 4.6945 10.3979 10.3985 10.7178 10.7201 12.2089 12.2106 k = 0.2088 0.6202 0.3658 ( 3461 PWs) bands (ev): -47.8977 -47.8977 -22.9180 -22.9178 -19.9517 -19.9492 -19.7842 -19.7833 -19.7579 -19.7547 -18.1166 -18.1165 -7.9698 -7.9694 -5.1150 -5.1121 -4.7305 -4.7301 -4.4410 -4.4373 -0.4576 -0.4558 0.9738 0.9756 1.7548 1.7554 4.7028 4.7041 10.4189 10.4195 10.7282 10.7305 12.1547 12.1564 k = 0.2192 0.6260 0.3598 ( 3463 PWs) bands (ev): -47.8977 -47.8977 -22.9173 -22.9172 -19.9522 -19.9496 -19.7847 -19.7837 -19.7585 -19.7551 -18.1170 -18.1170 -7.9740 -7.9735 -5.1101 -5.1072 -4.7279 -4.7276 -4.4420 -4.4381 -0.4488 -0.4469 0.9773 0.9792 1.7525 1.7531 4.7128 4.7142 10.4399 10.4404 10.7391 10.7413 12.0977 12.0994 k = 0.2296 0.6317 0.3538 ( 3461 PWs) bands (ev): -47.8977 -47.8977 -22.9167 -22.9165 -19.9526 -19.9500 -19.7851 -19.7841 -19.7589 -19.7554 -18.1175 -18.1175 -7.9783 -7.9778 -5.1050 -5.1019 -4.7254 -4.7250 -4.4430 -4.4391 -0.4398 -0.4378 0.9809 0.9828 1.7503 1.7510 4.7234 4.7247 10.4607 10.4611 10.7504 10.7526 12.0380 12.0396 k = 0.2401 0.6375 0.3478 ( 3458 PWs) bands (ev): -47.8977 -47.8977 -22.9161 -22.9159 -19.9530 -19.9504 -19.7856 -19.7844 -19.7594 -19.7557 -18.1180 -18.1180 -7.9827 -7.9822 -5.0995 -5.0964 -4.7228 -4.7224 -4.4442 -4.4403 -0.4306 -0.4286 0.9846 0.9866 1.7483 1.7489 4.7343 4.7357 10.4809 10.4812 10.7625 10.7645 11.9757 11.9773 k = 0.2505 0.6433 0.3419 ( 3455 PWs) bands (ev): -47.8977 -47.8977 -22.9155 -22.9153 -19.9535 -19.9508 -19.7861 -19.7848 -19.7598 -19.7560 -18.1185 -18.1185 -7.9871 -7.9866 -5.0937 -5.0906 -4.7203 -4.7199 -4.4456 -4.4416 -0.4213 -0.4193 0.9884 0.9904 1.7464 1.7471 4.7458 4.7472 10.5002 10.5002 10.7755 10.7772 11.9109 11.9124 k = 0.2610 0.6491 0.3359 ( 3457 PWs) bands (ev): -47.8977 -47.8977 -22.9149 -22.9147 -19.9539 -19.9512 -19.7866 -19.7853 -19.7602 -19.7563 -18.1189 -18.1189 -7.9916 -7.9911 -5.0877 -5.0845 -4.7179 -4.7175 -4.4471 -4.4430 -0.4119 -0.4099 0.9922 0.9943 1.7447 1.7453 4.7576 4.7590 10.5179 10.5181 10.7895 10.7909 11.8438 11.8452 k = 0.2714 0.6548 0.3299 ( 3455 PWs) bands (ev): -47.8978 -47.8978 -22.9144 -22.9142 -19.9543 -19.9516 -19.7871 -19.7857 -19.7605 -19.7566 -18.1194 -18.1194 -7.9962 -7.9956 -5.0814 -5.0782 -4.7155 -4.7151 -4.4487 -4.4446 -0.4025 -0.4004 0.9961 0.9982 1.7431 1.7438 4.7699 4.7713 10.5338 10.5342 10.8047 10.8057 11.7750 11.7762 k = 0.2818 0.6606 0.3239 ( 3459 PWs) bands (ev): -47.8978 -47.8978 -22.9139 -22.9137 -19.9548 -19.9520 -19.7876 -19.7861 -19.7608 -19.7568 -18.1198 -18.1198 -8.0007 -8.0002 -5.0748 -5.0716 -4.7133 -4.7129 -4.4505 -4.4463 -0.3931 -0.3909 1.0000 1.0021 1.7417 1.7424 4.7825 4.7839 10.5476 10.5483 10.8209 10.8215 11.7047 11.7058 k = 0.2923 0.6664 0.3179 ( 3459 PWs) bands (ev): -47.8978 -47.8978 -22.9134 -22.9132 -19.9552 -19.9525 -19.7880 -19.7865 -19.7610 -19.7570 -18.1202 -18.1202 -8.0053 -8.0047 -5.0680 -5.0647 -4.7111 -4.7107 -4.4523 -4.4482 -0.3836 -0.3814 1.0039 1.0060 1.7404 1.7412 4.7954 4.7969 10.5590 10.5601 10.8378 10.8379 11.6340 11.6347 k = 0.3027 0.6721 0.3119 ( 3459 PWs) bands (ev): -47.8978 -47.8978 -22.9130 -22.9129 -19.9556 -19.9529 -19.7885 -19.7870 -19.7612 -19.7572 -18.1205 -18.1205 -8.0098 -8.0093 -5.0608 -5.0576 -4.7091 -4.7086 -4.4543 -4.4501 -0.3741 -0.3719 1.0077 1.0099 1.7393 1.7401 4.8086 4.8101 10.5679 10.5693 10.8542 10.8546 11.5638 11.5643 k = 0.3132 0.6779 0.3059 ( 3463 PWs) bands (ev): -47.8978 -47.8978 -22.9127 -22.9125 -19.9560 -19.9533 -19.7890 -19.7874 -19.7614 -19.7573 -18.1209 -18.1209 -8.0143 -8.0138 -5.0535 -5.0502 -4.7072 -4.7067 -4.4564 -4.4522 -0.3647 -0.3625 1.0115 1.0137 1.7384 1.7391 4.8221 4.8235 10.5744 10.5760 10.8689 10.8698 11.4959 11.4961 k = 0.3236 0.6837 0.2999 ( 3463 PWs) bands (ev): -47.8978 -47.8978 -22.9124 -22.9122 -19.9563 -19.9536 -19.7894 -19.7878 -19.7615 -19.7574 -18.1212 -18.1212 -8.0188 -8.0182 -5.0459 -5.0427 -4.7054 -4.7050 -4.4585 -4.4544 -0.3554 -0.3532 1.0152 1.0174 1.7376 1.7384 4.8358 4.8372 10.5783 10.5802 10.8795 10.8810 11.4330 11.4332 k = 0.3340 0.6894 0.2939 ( 3465 PWs) bands (ev): -47.8978 -47.8978 -22.9122 -22.9120 -19.9566 -19.9540 -19.7899 -19.7882 -19.7616 -19.7575 -18.1214 -18.1214 -8.0232 -8.0226 -5.0381 -5.0349 -4.7038 -4.7034 -4.4607 -4.4566 -0.3462 -0.3440 1.0188 1.0210 1.7370 1.7377 4.8496 4.8510 10.5799 10.5819 10.8824 10.8843 11.3788 11.3794 k = 0.3445 0.6952 0.2879 ( 3465 PWs) bands (ev): -47.8979 -47.8979 -22.9120 -22.9118 -19.9570 -19.9544 -19.7903 -19.7886 -19.7616 -19.7576 -18.1217 -18.1217 -8.0275 -8.0270 -5.0300 -5.0268 -4.7024 -4.7020 -4.4630 -4.4589 -0.3371 -0.3349 1.0222 1.0244 1.7365 1.7372 4.8635 4.8649 10.5790 10.5811 10.8729 10.8751 11.3388 11.3397 k = 0.3549 0.7010 0.2819 ( 3461 PWs) bands (ev): -47.8979 -47.8979 -22.9119 -22.9117 -19.9572 -19.9547 -19.7906 -19.7889 -19.7616 -19.7576 -18.1218 -18.1218 -8.0317 -8.0312 -5.0218 -5.0186 -4.7012 -4.7007 -4.4653 -4.4613 -0.3282 -0.3260 1.0255 1.0277 1.7361 1.7368 4.8775 4.8789 10.5755 10.5775 10.8476 10.8498 11.3171 11.3181 k = 0.3549 0.7010 0.2819 ( 3461 PWs) bands (ev): -47.8979 -47.8979 -22.9119 -22.9117 -19.9572 -19.9547 -19.7906 -19.7889 -19.7616 -19.7576 -18.1218 -18.1218 -8.0317 -8.0312 -5.0218 -5.0186 -4.7012 -4.7007 -4.4653 -4.4613 -0.3282 -0.3260 1.0255 1.0277 1.7361 1.7368 4.8775 4.8789 10.5755 10.5775 10.8476 10.8498 11.3171 11.3181 k = 0.3607 0.6959 0.2706 ( 3465 PWs) bands (ev): -47.8979 -47.8979 -22.9118 -22.9116 -19.9578 -19.9553 -19.7914 -19.7897 -19.7615 -19.7576 -18.1221 -18.1221 -8.0395 -8.0390 -5.0058 -5.0028 -4.6991 -4.6987 -4.4696 -4.4657 -0.3114 -0.3092 1.0313 1.0335 1.7353 1.7361 4.9039 4.9053 10.5630 10.5648 10.7856 10.7874 11.2951 11.2960 k = 0.3665 0.6909 0.2594 ( 3461 PWs) bands (ev): -47.8979 -47.8979 -22.9117 -22.9116 -19.9583 -19.9559 -19.7920 -19.7903 -19.7613 -19.7575 -18.1224 -18.1224 -8.0472 -8.0467 -4.9896 -4.9866 -4.6971 -4.6967 -4.4740 -4.4702 -0.2945 -0.2923 1.0369 1.0390 1.7344 1.7352 4.9306 4.9319 10.5442 10.5456 10.7265 10.7278 11.2737 11.2747 k = 0.3723 0.6858 0.2481 ( 3461 PWs) bands (ev): -47.8979 -47.8979 -22.9117 -22.9115 -19.9588 -19.9566 -19.7927 -19.7910 -19.7611 -19.7574 -18.1226 -18.1226 -8.0548 -8.0542 -4.9731 -4.9702 -4.6953 -4.6949 -4.4783 -4.4746 -0.2775 -0.2754 1.0422 1.0444 1.7334 1.7342 4.9574 4.9586 10.5176 10.5183 10.6725 10.6732 11.2531 11.2540 k = 0.3781 0.6808 0.2368 ( 3453 PWs) bands (ev): -47.8980 -47.8980 -22.9117 -22.9115 -19.9593 -19.9572 -19.7934 -19.7917 -19.7609 -19.7573 -18.1228 -18.1228 -8.0622 -8.0616 -4.9564 -4.9536 -4.6935 -4.6931 -4.4826 -4.4791 -0.2605 -0.2584 1.0474 1.0495 1.7323 1.7331 4.9842 4.9853 10.4815 10.4815 10.6257 10.6258 11.2333 11.2342 k = 0.3839 0.6757 0.2255 ( 3457 PWs) bands (ev): -47.8980 -47.8980 -22.9117 -22.9116 -19.9598 -19.9578 -19.7940 -19.7924 -19.7607 -19.7573 -18.1229 -18.1229 -8.0694 -8.0689 -4.9398 -4.9370 -4.6918 -4.6915 -4.4869 -4.4834 -0.2436 -0.2416 1.0523 1.0543 1.7311 1.7318 5.0107 5.0118 10.4351 10.4357 10.5862 10.5871 11.2144 11.2153 k = 0.3897 0.6707 0.2142 ( 3457 PWs) bands (ev): -47.8980 -47.8980 -22.9118 -22.9116 -19.9604 -19.9585 -19.7947 -19.7931 -19.7605 -19.7572 -18.1231 -18.1231 -8.0765 -8.0760 -4.9231 -4.9205 -4.6903 -4.6899 -4.4911 -4.4877 -0.2269 -0.2248 1.0569 1.0589 1.7298 1.7305 5.0371 5.0382 10.3817 10.3828 10.5530 10.5543 11.1963 11.1972 k = 0.3955 0.6656 0.2030 ( 3443 PWs) bands (ev): -47.8980 -47.8980 -22.9118 -22.9117 -19.9608 -19.9590 -19.7952 -19.7936 -19.7602 -19.7570 -18.1232 -18.1232 -8.0833 -8.0828 -4.9066 -4.9040 -4.6888 -4.6885 -4.4951 -4.4919 -0.2103 -0.2084 1.0614 1.0634 1.7284 1.7291 5.0632 5.0642 10.3245 10.3257 10.5238 10.5253 11.1792 11.1800 k = 0.4013 0.6606 0.1917 ( 3443 PWs) bands (ev): -47.8981 -47.8981 -22.9119 -22.9118 -19.9614 -19.9597 -19.7958 -19.7943 -19.7600 -19.7569 -18.1233 -18.1233 -8.0899 -8.0894 -4.8903 -4.8878 -4.6875 -4.6871 -4.4992 -4.4961 -0.1942 -0.1922 1.0656 1.0675 1.7270 1.7277 5.0888 5.0897 10.2658 10.2670 10.4966 10.4982 11.1484 11.1505 k = 0.4071 0.6555 0.1804 ( 3439 PWs) bands (ev): -47.8981 -47.8981 -22.9120 -22.9119 -19.9619 -19.9603 -19.7963 -19.7949 -19.7597 -19.7568 -18.1233 -18.1233 -8.0962 -8.0958 -4.8743 -4.8718 -4.6862 -4.6859 -4.5030 -4.5001 -0.1784 -0.1765 1.0695 1.0714 1.7256 1.7262 5.1138 5.1147 10.2070 10.2082 10.4708 10.4723 11.0962 11.0983 k = 0.4129 0.6505 0.1691 ( 3439 PWs) bands (ev): -47.8981 -47.8981 -22.9121 -22.9120 -19.9624 -19.9609 -19.7969 -19.7955 -19.7594 -19.7567 -18.1234 -18.1234 -8.1023 -8.1018 -4.8587 -4.8563 -4.6850 -4.6847 -4.5068 -4.5039 -0.1630 -0.1613 1.0732 1.0750 1.7241 1.7248 5.1380 5.1388 10.1491 10.1502 10.4459 10.4474 11.0464 11.0483 k = 0.4187 0.6454 0.1579 ( 3441 PWs) bands (ev): -47.8981 -47.8981 -22.9123 -22.9121 -19.9629 -19.9615 -19.7974 -19.7961 -19.7592 -19.7566 -18.1234 -18.1234 -8.1080 -8.1076 -4.8436 -4.8413 -4.6840 -4.6837 -4.5104 -4.5076 -0.1483 -0.1466 1.0767 1.0784 1.7226 1.7233 5.1614 5.1622 10.0927 10.0938 10.4218 10.4232 10.9992 11.0010 k = 0.4246 0.6404 0.1466 ( 3437 PWs) bands (ev): -47.8982 -47.8982 -22.9124 -22.9123 -19.9633 -19.9620 -19.7978 -19.7966 -19.7589 -19.7565 -18.1235 -18.1235 -8.1135 -8.1131 -4.8290 -4.8269 -4.6830 -4.6827 -4.5138 -4.5112 -0.1341 -0.1325 1.0799 1.0815 1.7212 1.7218 5.1838 5.1845 10.0385 10.0394 10.3987 10.4000 10.9549 10.9565 k = 0.4304 0.6353 0.1353 ( 3433 PWs) bands (ev): -47.8982 -47.8982 -22.9125 -22.9124 -19.9637 -19.9626 -19.7982 -19.7971 -19.7586 -19.7564 -18.1235 -18.1235 -8.1186 -8.1182 -4.8151 -4.8131 -4.6821 -4.6818 -4.5170 -4.5146 -0.1207 -0.1191 1.0829 1.0844 1.7198 1.7204 5.2052 5.2058 9.9868 9.9877 10.3767 10.3778 10.9134 10.9149 k = 0.4362 0.6303 0.1240 ( 3433 PWs) bands (ev): -47.8982 -47.8982 -22.9126 -22.9125 -19.9641 -19.9631 -19.7986 -19.7976 -19.7584 -19.7563 -18.1235 -18.1235 -8.1233 -8.1230 -4.8020 -4.8001 -4.6812 -4.6810 -4.5201 -4.5177 -0.1080 -0.1066 1.0856 1.0871 1.7185 1.7190 5.2254 5.2260 9.9380 9.9388 10.3557 10.3568 10.8748 10.8763 k = 0.4420 0.6252 0.1128 ( 3437 PWs) bands (ev): -47.8982 -47.8982 -22.9128 -22.9127 -19.9645 -19.9636 -19.7990 -19.7980 -19.7581 -19.7563 -18.1235 -18.1235 -8.1277 -8.1274 -4.7898 -4.7879 -4.6805 -4.6802 -4.5229 -4.5207 -0.0962 -0.0949 1.0881 1.0895 1.7172 1.7177 5.2442 5.2447 9.8924 9.8931 10.3361 10.3371 10.8394 10.8406 k = 0.4478 0.6202 0.1015 ( 3437 PWs) bands (ev): -47.8982 -47.8982 -22.9129 -22.9128 -19.9649 -19.9640 -19.7993 -19.7984 -19.7579 -19.7562 -18.1235 -18.1235 -8.1318 -8.1315 -4.7784 -4.7767 -4.6798 -4.6796 -4.5255 -4.5235 -0.0853 -0.0841 1.0904 1.0916 1.7160 1.7164 5.2616 5.2621 9.8503 9.8509 10.3179 10.3188 10.8070 10.8082 k = 0.4536 0.6151 0.0902 ( 3439 PWs) bands (ev): -47.8983 -47.8983 -22.9130 -22.9129 -19.9652 -19.9645 -19.7996 -19.7988 -19.7577 -19.7562 -18.1235 -18.1235 -8.1354 -8.1351 -4.7680 -4.7664 -4.6792 -4.6790 -4.5278 -4.5260 -0.0754 -0.0743 1.0924 1.0935 1.7149 1.7153 5.2775 5.2780 9.8120 9.8126 10.3013 10.3021 10.7779 10.7789 k = 0.4594 0.6101 0.0789 ( 3437 PWs) bands (ev): -47.8983 -47.8983 -22.9131 -22.9130 -19.9655 -19.9648 -19.7999 -19.7992 -19.7574 -19.7561 -18.1235 -18.1235 -8.1386 -8.1384 -4.7586 -4.7572 -4.6787 -4.6785 -4.5299 -4.5282 -0.0665 -0.0655 1.0942 1.0952 1.7139 1.7142 5.2918 5.2922 9.7777 9.7782 10.2863 10.2870 10.7520 10.7529 k = 0.4652 0.6050 0.0677 ( 3437 PWs) bands (ev): -47.8983 -47.8983 -22.9132 -22.9131 -19.9658 -19.9652 -19.8001 -19.7995 -19.7572 -19.7561 -18.1234 -18.1234 -8.1414 -8.1412 -4.7504 -4.7491 -4.6782 -4.6781 -4.5317 -4.5303 -0.0586 -0.0578 1.0958 1.0966 1.7130 1.7133 5.3045 5.3048 9.7476 9.7480 10.2732 10.2737 10.7294 10.7302 k = 0.4710 0.6000 0.0564 ( 3437 PWs) bands (ev): -47.8983 -47.8983 -22.9133 -22.9132 -19.9660 -19.9655 -19.8003 -19.7997 -19.7570 -19.7561 -18.1234 -18.1234 -8.1438 -8.1437 -4.7433 -4.7422 -4.6778 -4.6777 -4.5333 -4.5320 -0.0519 -0.0512 1.0971 1.0978 1.7122 1.7125 5.3153 5.3155 9.7218 9.7221 10.2619 10.2624 10.7103 10.7109 k = 0.4768 0.5949 0.0451 ( 3437 PWs) bands (ev): -47.8983 -47.8983 -22.9133 -22.9133 -19.9661 -19.9657 -19.8004 -19.8000 -19.7568 -19.7561 -18.1234 -18.1234 -8.1458 -8.1457 -4.7374 -4.7365 -4.6775 -4.6774 -4.5345 -4.5335 -0.0463 -0.0457 1.0982 1.0988 1.7116 1.7118 5.3242 5.3244 9.7006 9.7008 10.2526 10.2529 10.6946 10.6951 k = 0.4826 0.5899 0.0338 ( 3429 PWs) bands (ev): -47.8983 -47.8983 -22.9134 -22.9133 -19.9662 -19.9659 -19.8004 -19.8001 -19.7566 -19.7561 -18.1234 -18.1234 -8.1473 -8.1472 -4.7327 -4.7320 -4.6772 -4.6772 -4.5355 -4.5347 -0.0418 -0.0414 1.0991 1.0995 1.7111 1.7113 5.3312 5.3314 9.6839 9.6841 10.2453 10.2455 10.6823 10.6827 k = 0.4884 0.5848 0.0226 ( 3429 PWs) bands (ev): -47.8983 -47.8983 -22.9134 -22.9134 -19.9663 -19.9661 -19.8005 -19.8003 -19.7565 -19.7561 -18.1234 -18.1234 -8.1484 -8.1483 -4.7293 -4.7288 -4.6771 -4.6770 -4.5361 -4.5356 -0.0387 -0.0384 1.0997 1.1000 1.7108 1.7109 5.3362 5.3364 9.6719 9.6721 10.2400 10.2402 10.6736 10.6738 k = 0.4942 0.5798 0.0113 ( 3433 PWs) bands (ev): -47.8983 -47.8983 -22.9134 -22.9134 -19.9663 -19.9662 -19.8005 -19.8004 -19.7564 -19.7562 -18.1234 -18.1234 -8.1491 -8.1490 -4.7272 -4.7270 -4.6769 -4.6769 -4.5364 -4.5362 -0.0367 -0.0366 1.1001 1.1003 1.7106 1.7106 5.3393 5.3393 9.6648 9.6648 10.2369 10.2370 10.6683 10.6685 k = 0.5000 0.5747-0.0000 ( 3434 PWs) bands (ev): -47.8983 -47.8983 -22.9134 -22.9134 -19.9663 -19.9663 -19.8005 -19.8005 -19.7563 -19.7563 -18.1234 -18.1234 -8.1493 -8.1493 -4.7264 -4.7264 -4.6769 -4.6769 -4.5364 -4.5364 -0.0361 -0.0361 1.1003 1.1003 1.7105 1.7105 5.3403 5.3403 9.6624 9.6624 10.2359 10.2359 10.6666 10.6666 k = 0.5000 0.5747-0.0000 ( 3434 PWs) bands (ev): -47.8983 -47.8983 -22.9134 -22.9134 -19.9663 -19.9663 -19.8005 -19.8005 -19.7563 -19.7563 -18.1234 -18.1234 -8.1493 -8.1493 -4.7264 -4.7264 -4.6769 -4.6769 -4.5364 -4.5364 -0.0361 -0.0361 1.1003 1.1003 1.7105 1.7105 5.3403 5.3403 9.6624 9.6624 10.2359 10.2359 10.6666 10.6666 k = 0.4911 0.5645-0.0000 ( 3434 PWs) bands (ev): -47.8983 -47.8983 -22.9135 -22.9135 -19.9663 -19.9663 -19.8005 -19.8005 -19.7563 -19.7563 -18.1234 -18.1234 -8.1491 -8.1491 -4.7263 -4.7263 -4.6771 -4.6771 -4.5365 -4.5365 -0.0363 -0.0363 1.0999 1.0999 1.7105 1.7105 5.3400 5.3400 9.6556 9.6556 10.2372 10.2372 10.6685 10.6685 k = 0.4821 0.5542-0.0000 ( 3434 PWs) bands (ev): -47.8983 -47.8983 -22.9137 -22.9137 -19.9662 -19.9662 -19.8004 -19.8004 -19.7562 -19.7562 -18.1232 -18.1232 -8.1487 -8.1487 -4.7258 -4.7258 -4.6776 -4.6776 -4.5366 -4.5366 -0.0369 -0.0369 1.0988 1.0988 1.7103 1.7103 5.3389 5.3389 9.6358 9.6358 10.2410 10.2410 10.6740 10.6740 k = 0.4732 0.5439-0.0000 ( 3426 PWs) bands (ev): -47.8983 -47.8983 -22.9140 -22.9140 -19.9660 -19.9660 -19.8002 -19.8002 -19.7560 -19.7560 -18.1230 -18.1230 -8.1480 -8.1480 -4.7249 -4.7249 -4.6785 -4.6785 -4.5367 -4.5367 -0.0379 -0.0379 1.0970 1.0970 1.7101 1.7101 5.3371 5.3371 9.6043 9.6043 10.2472 10.2472 10.6833 10.6833 k = 0.4643 0.5337-0.0000 ( 3416 PWs) bands (ev): -47.8983 -47.8983 -22.9144 -22.9144 -19.9658 -19.9658 -19.8000 -19.8000 -19.7558 -19.7558 -18.1227 -18.1227 -8.1469 -8.1469 -4.7237 -4.7237 -4.6798 -4.6798 -4.5368 -4.5368 -0.0394 -0.0394 1.0944 1.0944 1.7098 1.7098 5.3346 5.3346 9.5632 9.5632 10.2553 10.2553 10.6962 10.6962 k = 0.4554 0.5234-0.0000 ( 3418 PWs) bands (ev): -47.8983 -47.8983 -22.9150 -22.9150 -19.9656 -19.9656 -19.7998 -19.7998 -19.7557 -19.7557 -18.1223 -18.1223 -8.1456 -8.1456 -4.7223 -4.7223 -4.6815 -4.6815 -4.5371 -4.5371 -0.0413 -0.0413 1.0911 1.0911 1.7093 1.7093 5.3313 5.3313 9.5142 9.5142 10.2651 10.2651 10.7128 10.7128 k = 0.4464 0.5132-0.0000 ( 3414 PWs) bands (ev): -47.8983 -47.8983 -22.9156 -22.9156 -19.9653 -19.9653 -19.7995 -19.7995 -19.7554 -19.7554 -18.1219 -18.1219 -8.1440 -8.1440 -4.7204 -4.7204 -4.6835 -4.6835 -4.5373 -4.5373 -0.0435 -0.0435 1.0871 1.0871 1.7087 1.7087 5.3274 5.3274 9.4594 9.4594 10.2765 10.2765 10.7331 10.7331 k = 0.4375 0.5029-0.0000 ( 3422 PWs) bands (ev): -47.8983 -47.8983 -22.9164 -22.9164 -19.9650 -19.9650 -19.7992 -19.7992 -19.7552 -19.7552 -18.1213 -18.1213 -8.1421 -8.1421 -4.7183 -4.7183 -4.6859 -4.6859 -4.5377 -4.5377 -0.0462 -0.0462 1.0823 1.0823 1.7079 1.7079 5.3228 5.3228 9.4001 9.4001 10.2895 10.2895 10.7570 10.7570 k = 0.4286 0.4926-0.0000 ( 3420 PWs) bands (ev): -47.8983 -47.8983 -22.9173 -22.9173 -19.9647 -19.9647 -19.7988 -19.7988 -19.7549 -19.7549 -18.1207 -18.1207 -8.1399 -8.1399 -4.7159 -4.7159 -4.6886 -4.6886 -4.5381 -4.5381 -0.0493 -0.0493 1.0769 1.0769 1.7070 1.7070 5.3176 5.3176 9.3377 9.3377 10.3040 10.3040 10.7845 10.7845 k = 0.4196 0.4824-0.0000 ( 3424 PWs) bands (ev): -47.8983 -47.8983 -22.9183 -22.9183 -19.9643 -19.9643 -19.7984 -19.7984 -19.7546 -19.7546 -18.1200 -18.1200 -8.1374 -8.1374 -4.7131 -4.7131 -4.6916 -4.6916 -4.5386 -4.5386 -0.0528 -0.0528 1.0708 1.0708 1.7058 1.7058 5.3117 5.3117 9.2733 9.2733 10.3202 10.3202 10.8156 10.8156 k = 0.4107 0.4721-0.0000 ( 3426 PWs) bands (ev): -47.8983 -47.8983 -22.9193 -22.9193 -19.9638 -19.9638 -19.7980 -19.7980 -19.7543 -19.7543 -18.1192 -18.1192 -8.1346 -8.1346 -4.7102 -4.7102 -4.6949 -4.6949 -4.5391 -4.5391 -0.0566 -0.0566 1.0642 1.0642 1.7044 1.7044 5.3051 5.3051 9.2075 9.2075 10.3381 10.3381 10.8502 10.8502 k = 0.4018 0.4618-0.0000 ( 3428 PWs) bands (ev): -47.8983 -47.8983 -22.9205 -22.9205 -19.9634 -19.9634 -19.7976 -19.7976 -19.7539 -19.7539 -18.1183 -18.1183 -8.1314 -8.1314 -4.7071 -4.7071 -4.6984 -4.6984 -4.5397 -4.5397 -0.0608 -0.0608 1.0569 1.0569 1.7028 1.7028 5.2980 5.2980 9.1411 9.1411 10.3576 10.3576 10.8883 10.8883 k = 0.3929 0.4516-0.0000 ( 3430 PWs) bands (ev): -47.8984 -47.8984 -22.9218 -22.9218 -19.9629 -19.9629 -19.7971 -19.7971 -19.7535 -19.7535 -18.1174 -18.1174 -8.1279 -8.1279 -4.7052 -4.7052 -4.7007 -4.7007 -4.5404 -4.5404 -0.0653 -0.0653 1.0490 1.0490 1.7009 1.7009 5.2903 5.2903 9.0745 9.0745 10.3790 10.3790 10.9299 10.9299 k = 0.3839 0.4413-0.0000 ( 3430 PWs) bands (ev): -47.8984 -47.8984 -22.9231 -22.9231 -19.9623 -19.9623 -19.7965 -19.7965 -19.7531 -19.7531 -18.1164 -18.1164 -8.1241 -8.1241 -4.7079 -4.7079 -4.6983 -4.6983 -4.5411 -4.5411 -0.0701 -0.0701 1.0405 1.0405 1.6986 1.6986 5.2820 5.2820 9.0082 9.0082 10.4022 10.4022 10.9749 10.9749 k = 0.3750 0.4311-0.0000 ( 3430 PWs) bands (ev): -47.8984 -47.8984 -22.9245 -22.9245 -19.9618 -19.9618 -19.7960 -19.7960 -19.7527 -19.7527 -18.1153 -18.1153 -8.1200 -8.1200 -4.7122 -4.7122 -4.6944 -4.6944 -4.5419 -4.5419 -0.0752 -0.0752 1.0316 1.0316 1.6960 1.6960 5.2732 5.2732 8.9425 8.9425 10.4273 10.4273 11.0232 11.0232 k = 0.3661 0.4208-0.0000 ( 3432 PWs) bands (ev): -47.8984 -47.8984 -22.9260 -22.9260 -19.9612 -19.9612 -19.7954 -19.7954 -19.7522 -19.7522 -18.1141 -18.1141 -8.1154 -8.1154 -4.7170 -4.7170 -4.6901 -4.6901 -4.5428 -4.5428 -0.0807 -0.0807 1.0222 1.0222 1.6931 1.6931 5.2639 5.2639 8.8777 8.8777 10.4543 10.4543 11.0749 11.0749 k = 0.3571 0.4105-0.0000 ( 3440 PWs) bands (ev): -47.8984 -47.8984 -22.9275 -22.9275 -19.9606 -19.9606 -19.7949 -19.7949 -19.7518 -19.7518 -18.1129 -18.1129 -8.1106 -8.1106 -4.7221 -4.7221 -4.6855 -4.6855 -4.5437 -4.5437 -0.0864 -0.0864 1.0123 1.0123 1.6897 1.6897 5.2542 5.2542 8.8139 8.8139 10.4833 10.4833 11.1299 11.1299 k = 0.3482 0.4003-0.0000 ( 3442 PWs) bands (ev): -47.8984 -47.8984 -22.9291 -22.9291 -19.9600 -19.9600 -19.7943 -19.7943 -19.7514 -19.7514 -18.1116 -18.1116 -8.1054 -8.1054 -4.7275 -4.7275 -4.6807 -4.6807 -4.5447 -4.5447 -0.0923 -0.0923 1.0020 1.0020 1.6859 1.6859 5.2440 5.2440 8.7513 8.7513 10.5143 10.5143 11.1880 11.1880 k = 0.3393 0.3900-0.0000 ( 3446 PWs) bands (ev): -47.8984 -47.8984 -22.9307 -22.9307 -19.9594 -19.9594 -19.7937 -19.7937 -19.7509 -19.7509 -18.1103 -18.1103 -8.0999 -8.0999 -4.7330 -4.7330 -4.6756 -4.6756 -4.5458 -4.5458 -0.0985 -0.0985 0.9913 0.9913 1.6817 1.6817 5.2334 5.2334 8.6902 8.6902 10.5474 10.5474 11.2493 11.2493 k = 0.3304 0.3797-0.0000 ( 3454 PWs) bands (ev): -47.8984 -47.8984 -22.9323 -22.9323 -19.9588 -19.9588 -19.7931 -19.7931 -19.7506 -19.7506 -18.1089 -18.1089 -8.0940 -8.0940 -4.7388 -4.7388 -4.6703 -4.6703 -4.5470 -4.5470 -0.1049 -0.1049 0.9802 0.9802 1.6770 1.6770 5.2224 5.2224 8.6306 8.6306 10.5825 10.5825 11.3136 11.3136 k = 0.3214 0.3695-0.0000 ( 3454 PWs) bands (ev): -47.8985 -47.8985 -22.9340 -22.9340 -19.9582 -19.9582 -19.7925 -19.7925 -19.7501 -19.7501 -18.1074 -18.1074 -8.0878 -8.0878 -4.7448 -4.7448 -4.6648 -4.6648 -4.5483 -4.5483 -0.1115 -0.1115 0.9689 0.9689 1.6718 1.6718 5.2111 5.2111 8.5726 8.5726 10.6197 10.6197 11.3810 11.3810 k = 0.3125 0.3592-0.0000 ( 3466 PWs) bands (ev): -47.8985 -47.8985 -22.9357 -22.9357 -19.9576 -19.9576 -19.7919 -19.7919 -19.7498 -19.7498 -18.1059 -18.1059 -8.0813 -8.0813 -4.7510 -4.7510 -4.6592 -4.6592 -4.5496 -4.5496 -0.1183 -0.1183 0.9573 0.9573 1.6660 1.6660 5.1994 5.1994 8.5164 8.5164 10.6590 10.6590 11.4513 11.4513 k = 0.3036 0.3489-0.0000 ( 3462 PWs) bands (ev): -47.8985 -47.8985 -22.9374 -22.9374 -19.9570 -19.9570 -19.7913 -19.7913 -19.7494 -19.7494 -18.1044 -18.1044 -8.0744 -8.0744 -4.7573 -4.7573 -4.6534 -4.6534 -4.5509 -4.5509 -0.1252 -0.1252 0.9455 0.9455 1.6598 1.6598 5.1876 5.1876 8.4619 8.4619 10.7003 10.7003 11.5244 11.5244 k = 0.2946 0.3387-0.0000 ( 3462 PWs) bands (ev): -47.8985 -47.8985 -22.9391 -22.9391 -19.9563 -19.9563 -19.7907 -19.7907 -19.7490 -19.7490 -18.1028 -18.1028 -8.0672 -8.0672 -4.7637 -4.7637 -4.6475 -4.6475 -4.5524 -4.5524 -0.1322 -0.1322 0.9335 0.9335 1.6530 1.6530 5.1755 5.1755 8.4093 8.4093 10.7437 10.7437 11.6003 11.6003 k = 0.2857 0.3284-0.0000 ( 3454 PWs) bands (ev): -47.8985 -47.8985 -22.9408 -22.9408 -19.9557 -19.9557 -19.7900 -19.7900 -19.7486 -19.7486 -18.1012 -18.1012 -8.0597 -8.0597 -4.7702 -4.7702 -4.6415 -4.6415 -4.5538 -4.5538 -0.1393 -0.1393 0.9214 0.9214 1.6457 1.6457 5.1633 5.1633 8.3587 8.3587 10.7893 10.7893 11.6788 11.6788 k = 0.2768 0.3182-0.0000 ( 3460 PWs) bands (ev): -47.8985 -47.8985 -22.9425 -22.9425 -19.9551 -19.9551 -19.7894 -19.7894 -19.7484 -19.7484 -18.0995 -18.0995 -8.0519 -8.0519 -4.7768 -4.7768 -4.6354 -4.6354 -4.5554 -4.5554 -0.1465 -0.1465 0.9092 0.9092 1.6378 1.6378 5.1508 5.1508 8.3100 8.3100 10.8368 10.8368 11.7600 11.7600 k = 0.2679 0.3079-0.0000 ( 3460 PWs) bands (ev): -47.8985 -47.8985 -22.9442 -22.9442 -19.9545 -19.9545 -19.7888 -19.7888 -19.7481 -19.7481 -18.0978 -18.0978 -8.0439 -8.0439 -4.7835 -4.7835 -4.6293 -4.6293 -4.5570 -4.5570 -0.1538 -0.1538 0.8969 0.8969 1.6295 1.6295 5.1383 5.1383 8.2632 8.2632 10.8864 10.8864 11.8436 11.8436 k = 0.2589 0.2976-0.0000 ( 3464 PWs) bands (ev): -47.8985 -47.8985 -22.9459 -22.9459 -19.9539 -19.9539 -19.7883 -19.7883 -19.7479 -19.7479 -18.0961 -18.0961 -8.0355 -8.0355 -4.7903 -4.7903 -4.6230 -4.6230 -4.5586 -4.5586 -0.1611 -0.1611 0.8845 0.8845 1.6206 1.6206 5.1258 5.1258 8.2185 8.2185 10.9380 10.9380 11.9296 11.9296 k = 0.2500 0.2874-0.0000 ( 3460 PWs) bands (ev): -47.8985 -47.8985 -22.9475 -22.9475 -19.9534 -19.9534 -19.7877 -19.7877 -19.7477 -19.7477 -18.0944 -18.0944 -8.0270 -8.0270 -4.7970 -4.7970 -4.6168 -4.6168 -4.5603 -4.5603 -0.1683 -0.1683 0.8722 0.8722 1.6113 1.6113 5.1132 5.1132 8.1757 8.1757 10.9915 10.9915 12.0179 12.0179 k = 0.2411 0.2771-0.0000 ( 3460 PWs) bands (ev): -47.8986 -47.8986 -22.9492 -22.9492 -19.9528 -19.9528 -19.7871 -19.7871 -19.7475 -19.7475 -18.0926 -18.0926 -8.0182 -8.0182 -4.8038 -4.8038 -4.6105 -4.6105 -4.5620 -4.5620 -0.1756 -0.1756 0.8599 0.8599 1.6014 1.6014 5.1006 5.1006 8.1350 8.1350 11.0470 11.0470 12.1083 12.1083 k = 0.2321 0.2668-0.0000 ( 3456 PWs) bands (ev): -47.8986 -47.8986 -22.9507 -22.9507 -19.9523 -19.9523 -19.7865 -19.7865 -19.7474 -19.7474 -18.0909 -18.0909 -8.0093 -8.0093 -4.8106 -4.8106 -4.6043 -4.6043 -4.5637 -4.5637 -0.1829 -0.1829 0.8477 0.8477 1.5912 1.5912 5.0881 5.0881 8.0963 8.0963 11.1043 11.1043 12.2008 12.2008 k = 0.2232 0.2566-0.0000 ( 3454 PWs) bands (ev): -47.8986 -47.8986 -22.9523 -22.9523 -19.9518 -19.9518 -19.7860 -19.7860 -19.7473 -19.7473 -18.0892 -18.0892 -8.0002 -8.0002 -4.8173 -4.8173 -4.5982 -4.5982 -4.5654 -4.5654 -0.1901 -0.1901 0.8357 0.8357 1.5805 1.5805 5.0756 5.0756 8.0596 8.0596 11.1633 11.1633 12.2951 12.2951 k = 0.2143 0.2463-0.0000 ( 3452 PWs) bands (ev): -47.8986 -47.8986 -22.9538 -22.9538 -19.9513 -19.9513 -19.7855 -19.7855 -19.7473 -19.7473 -18.0874 -18.0874 -7.9910 -7.9910 -4.8240 -4.8240 -4.5923 -4.5923 -4.5669 -4.5669 -0.1972 -0.1972 0.8238 0.8238 1.5695 1.5695 5.0633 5.0633 8.0249 8.0249 11.2241 11.2241 12.3912 12.3912 k = 0.2054 0.2361-0.0000 ( 3452 PWs) bands (ev): -47.8986 -47.8986 -22.9552 -22.9552 -19.9508 -19.9508 -19.7850 -19.7850 -19.7473 -19.7473 -18.0857 -18.0857 -7.9818 -7.9818 -4.8306 -4.8306 -4.5866 -4.5866 -4.5683 -4.5683 -0.2042 -0.2042 0.8121 0.8121 1.5582 1.5582 5.0512 5.0512 7.9922 7.9922 11.2864 11.2864 12.4888 12.4888 k = 0.1964 0.2258-0.0000 ( 3450 PWs) bands (ev): -47.8986 -47.8986 -22.9566 -22.9566 -19.9504 -19.9504 -19.7845 -19.7845 -19.7473 -19.7473 -18.0840 -18.0840 -7.9724 -7.9724 -4.8371 -4.8371 -4.5818 -4.5818 -4.5689 -4.5689 -0.2111 -0.2111 0.8006 0.8006 1.5466 1.5466 5.0392 5.0392 7.9613 7.9613 11.3502 11.3502 12.5879 12.5879 k = 0.1875 0.2155-0.0000 ( 3462 PWs) bands (ev): -47.8986 -47.8986 -22.9579 -22.9579 -19.9500 -19.9500 -19.7840 -19.7840 -19.7475 -19.7475 -18.0823 -18.0823 -7.9631 -7.9631 -4.8435 -4.8435 -4.5789 -4.5789 -4.5678 -4.5678 -0.2178 -0.2178 0.7894 0.7894 1.5349 1.5349 5.0275 5.0275 7.9324 7.9324 11.4155 11.4155 12.6882 12.6882 k = 0.1786 0.2053-0.0000 ( 3462 PWs) bands (ev): -47.8986 -47.8986 -22.9592 -22.9592 -19.9497 -19.9497 -19.7836 -19.7836 -19.7476 -19.7476 -18.0806 -18.0806 -7.9538 -7.9538 -4.8497 -4.8497 -4.5784 -4.5784 -4.5642 -4.5642 -0.2244 -0.2244 0.7785 0.7785 1.5230 1.5230 5.0161 5.0161 7.9053 7.9053 11.4819 11.4819 12.7895 12.7895 k = 0.1696 0.1950-0.0000 ( 3462 PWs) bands (ev): -47.8986 -47.8986 -22.9605 -22.9605 -19.9493 -19.9493 -19.7832 -19.7832 -19.7477 -19.7477 -18.0790 -18.0790 -7.9446 -7.9446 -4.8558 -4.8558 -4.5793 -4.5793 -4.5594 -4.5594 -0.2308 -0.2308 0.7679 0.7679 1.5110 1.5110 5.0050 5.0050 7.8800 7.8800 11.5495 11.5495 12.8915 12.8915 k = 0.1607 0.1847-0.0000 ( 3460 PWs) bands (ev): -47.8986 -47.8986 -22.9616 -22.9616 -19.9490 -19.9490 -19.7827 -19.7827 -19.7478 -19.7478 -18.0774 -18.0774 -7.9355 -7.9355 -4.8616 -4.8616 -4.5807 -4.5807 -4.5543 -4.5543 -0.2370 -0.2370 0.7577 0.7577 1.4991 1.4991 4.9942 4.9942 7.8565 7.8565 11.6181 11.6181 12.9940 12.9940 k = 0.1518 0.1745-0.0000 ( 3460 PWs) bands (ev): -47.8987 -47.8987 -22.9627 -22.9627 -19.9487 -19.9487 -19.7824 -19.7824 -19.7480 -19.7480 -18.0759 -18.0759 -7.9266 -7.9266 -4.8673 -4.8673 -4.5822 -4.5822 -4.5491 -4.5491 -0.2429 -0.2429 0.7479 0.7479 1.4872 1.4872 4.9838 4.9838 7.8348 7.8348 11.6874 11.6874 13.0968 13.0968 k = 0.1429 0.1642-0.0000 ( 3468 PWs) bands (ev): -47.8987 -47.8987 -22.9638 -22.9638 -19.9485 -19.9485 -19.7820 -19.7820 -19.7483 -19.7483 -18.0744 -18.0744 -7.9178 -7.9178 -4.8728 -4.8728 -4.5838 -4.5838 -4.5441 -4.5441 -0.2487 -0.2487 0.7384 0.7384 1.4754 1.4754 4.9738 4.9738 7.8146 7.8146 11.7572 11.7572 13.1993 13.1993 k = 0.1339 0.1539-0.0000 ( 3468 PWs) bands (ev): -47.8987 -47.8987 -22.9647 -22.9647 -19.9483 -19.9483 -19.7817 -19.7817 -19.7485 -19.7485 -18.0730 -18.0730 -7.9094 -7.9094 -4.8780 -4.8780 -4.5854 -4.5854 -4.5392 -4.5392 -0.2541 -0.2541 0.7295 0.7295 1.4640 1.4640 4.9643 4.9643 7.7961 7.7961 11.8275 11.8275 13.3013 13.3013 k = 0.1250 0.1437-0.0000 ( 3466 PWs) bands (ev): -47.8987 -47.8987 -22.9657 -22.9657 -19.9480 -19.9480 -19.7814 -19.7814 -19.7487 -19.7487 -18.0716 -18.0716 -7.9012 -7.9012 -4.8830 -4.8830 -4.5870 -4.5870 -4.5345 -4.5345 -0.2593 -0.2593 0.7210 0.7210 1.4528 1.4528 4.9552 4.9552 7.7791 7.7791 11.8978 11.8978 13.4022 13.4022 k = 0.1161 0.1334-0.0000 ( 3464 PWs) bands (ev): -47.8987 -47.8987 -22.9665 -22.9665 -19.9478 -19.9478 -19.7811 -19.7811 -19.7489 -19.7489 -18.0703 -18.0703 -7.8933 -7.8933 -4.8877 -4.8877 -4.5885 -4.5885 -4.5300 -4.5300 -0.2642 -0.2642 0.7129 0.7129 1.4420 1.4420 4.9466 4.9466 7.7636 7.7636 11.9679 11.9679 13.5015 13.5015 k = 0.1071 0.1232-0.0000 ( 3460 PWs) bands (ev): -47.8987 -47.8987 -22.9673 -22.9673 -19.9477 -19.9477 -19.7808 -19.7808 -19.7491 -19.7491 -18.0691 -18.0691 -7.8859 -7.8859 -4.8922 -4.8922 -4.5899 -4.5899 -4.5259 -4.5259 -0.2688 -0.2688 0.7054 0.7054 1.4317 1.4317 4.9386 4.9386 7.7495 7.7495 12.0374 12.0374 13.5985 13.5985 k = 0.0982 0.1129-0.0000 ( 3456 PWs) bands (ev): -47.8987 -47.8987 -22.9680 -22.9680 -19.9475 -19.9475 -19.7805 -19.7805 -19.7493 -19.7493 -18.0679 -18.0679 -7.8788 -7.8788 -4.8963 -4.8963 -4.5913 -4.5913 -4.5219 -4.5219 -0.2731 -0.2731 0.6985 0.6985 1.4218 1.4218 4.9311 4.9311 7.7369 7.7369 12.1060 12.1060 13.6923 13.6923 k = 0.0893 0.1026-0.0000 ( 3458 PWs) bands (ev): -47.8987 -47.8987 -22.9687 -22.9687 -19.9474 -19.9474 -19.7803 -19.7803 -19.7495 -19.7495 -18.0669 -18.0669 -7.8722 -7.8722 -4.9001 -4.9001 -4.5926 -4.5926 -4.5183 -4.5183 -0.2770 -0.2770 0.6920 0.6920 1.4126 1.4126 4.9242 4.9242 7.7255 7.7255 12.1731 12.1731 13.7820 13.7820 k = 0.0804 0.0924-0.0000 ( 3470 PWs) bands (ev): -47.8987 -47.8987 -22.9693 -22.9693 -19.9473 -19.9473 -19.7801 -19.7801 -19.7498 -19.7498 -18.0659 -18.0659 -7.8661 -7.8661 -4.9036 -4.9036 -4.5938 -4.5938 -4.5150 -4.5150 -0.2806 -0.2806 0.6861 0.6861 1.4040 1.4040 4.9178 4.9178 7.7153 7.7153 12.2383 12.2383 13.8663 13.8663 k = 0.0714 0.0821-0.0000 ( 3474 PWs) bands (ev): -47.8987 -47.8987 -22.9698 -22.9698 -19.9472 -19.9472 -19.7800 -19.7800 -19.7500 -19.7500 -18.0650 -18.0650 -7.8606 -7.8606 -4.9068 -4.9068 -4.5949 -4.5949 -4.5119 -4.5119 -0.2839 -0.2839 0.6808 0.6808 1.3961 1.3961 4.9121 4.9121 7.7064 7.7064 12.3008 12.3008 13.8854 13.8854 k = 0.0625 0.0718-0.0000 ( 3472 PWs) bands (ev): -47.8987 -47.8987 -22.9703 -22.9703 -19.9471 -19.9471 -19.7798 -19.7798 -19.7502 -19.7502 -18.0642 -18.0642 -7.8556 -7.8556 -4.9096 -4.9096 -4.5959 -4.5959 -4.5093 -4.5093 -0.2868 -0.2868 0.6761 0.6761 1.3891 1.3891 4.9070 4.9070 7.6987 7.6987 12.3599 12.3599 13.8627 13.8627 k = 0.0536 0.0616-0.0000 ( 3474 PWs) bands (ev): -47.8987 -47.8987 -22.9707 -22.9707 -19.9471 -19.9471 -19.7797 -19.7797 -19.7503 -19.7503 -18.0635 -18.0635 -7.8513 -7.8513 -4.9121 -4.9121 -4.5967 -4.5967 -4.5069 -4.5069 -0.2893 -0.2893 0.6720 0.6720 1.3828 1.3828 4.9025 4.9025 7.6921 7.6921 12.4147 12.4147 13.8392 13.8392 k = 0.0446 0.0513-0.0000 ( 3473 PWs) bands (ev): -47.8987 -47.8987 -22.9710 -22.9710 -19.9470 -19.9470 -19.7796 -19.7796 -19.7505 -19.7505 -18.0629 -18.0629 -7.8475 -7.8475 -4.9142 -4.9142 -4.5974 -4.5974 -4.5049 -4.5049 -0.2915 -0.2915 0.6685 0.6685 1.3775 1.3775 4.8988 4.8988 7.6866 7.6866 12.4642 12.4642 13.8162 13.8162 k = 0.0357 0.0411-0.0000 ( 3469 PWs) bands (ev): -47.8987 -47.8987 -22.9713 -22.9713 -19.9470 -19.9470 -19.7794 -19.7794 -19.7506 -19.7506 -18.0624 -18.0624 -7.8444 -7.8444 -4.9159 -4.9159 -4.5981 -4.5981 -4.5032 -4.5032 -0.2932 -0.2932 0.6657 0.6657 1.3730 1.3730 4.8957 4.8957 7.6821 7.6821 12.5072 12.5072 13.7947 13.7947 k = 0.0268 0.0308-0.0000 ( 3469 PWs) bands (ev): -47.8987 -47.8987 -22.9715 -22.9715 -19.9469 -19.9469 -19.7794 -19.7794 -19.7506 -19.7506 -18.0621 -18.0621 -7.8420 -7.8420 -4.9172 -4.9172 -4.5985 -4.5985 -4.5019 -4.5019 -0.2946 -0.2946 0.6634 0.6634 1.3695 1.3695 4.8932 4.8932 7.6787 7.6787 12.5424 12.5424 13.7761 13.7761 k = 0.0179 0.0205-0.0000 ( 3469 PWs) bands (ev): -47.8987 -47.8987 -22.9717 -22.9717 -19.9469 -19.9469 -19.7793 -19.7793 -19.7507 -19.7507 -18.0618 -18.0618 -7.8402 -7.8402 -4.9182 -4.9182 -4.5988 -4.5988 -4.5010 -4.5010 -0.2956 -0.2956 0.6618 0.6618 1.3670 1.3670 4.8915 4.8915 7.6762 7.6762 12.5687 12.5687 13.7616 13.7616 k = 0.0089 0.0103-0.0000 ( 3469 PWs) bands (ev): -47.8987 -47.8987 -22.9717 -22.9717 -19.9469 -19.9469 -19.7793 -19.7793 -19.7508 -19.7508 -18.0616 -18.0616 -7.8392 -7.8392 -4.9188 -4.9188 -4.5990 -4.5990 -4.5005 -4.5005 -0.2962 -0.2962 0.6608 0.6608 1.3655 1.3655 4.8904 4.8904 7.6748 7.6748 12.5850 12.5850 13.7525 13.7525 k = 0.0000 0.0000 0.0000 ( 3477 PWs) bands (ev): -47.8988 -47.8988 -22.9718 -22.9718 -19.9469 -19.9469 -19.7793 -19.7793 -19.7508 -19.7508 -18.0616 -18.0616 -7.8388 -7.8388 -4.9190 -4.9190 -4.5991 -4.5991 -4.5003 -4.5003 -0.2964 -0.2964 0.6605 0.6605 1.3650 1.3650 4.8901 4.8901 7.6743 7.6743 12.5905 12.5905 13.7493 13.7493 k = 0.0000 0.0000 0.0000 ( 3477 PWs) bands (ev): -47.8988 -47.8988 -22.9718 -22.9718 -19.9469 -19.9469 -19.7793 -19.7793 -19.7508 -19.7508 -18.0616 -18.0616 -7.8388 -7.8388 -4.9190 -4.9190 -4.5991 -4.5991 -4.5003 -4.5003 -0.2964 -0.2964 0.6605 0.6605 1.3650 1.3650 4.8901 4.8901 7.6743 7.6743 12.5905 12.5905 13.7493 13.7493 k = 0.0085-0.0074 0.0077 ( 3479 PWs) bands (ev): -47.8988 -47.8988 -22.9718 -22.9718 -19.9470 -19.9469 -19.7794 -19.7792 -19.7508 -19.7508 -18.0618 -18.0618 -7.8384 -7.8384 -4.9222 -4.9212 -4.5969 -4.5957 -4.5005 -4.5004 -0.2963 -0.2963 0.6587 0.6592 1.3654 1.3662 4.8905 4.8905 7.6757 7.6760 12.5906 12.5913 13.7339 13.7341 k = 0.0170-0.0148 0.0154 ( 3471 PWs) bands (ev): -47.8988 -47.8988 -22.9716 -22.9716 -19.9469 -19.9467 -19.7793 -19.7790 -19.7508 -19.7508 -18.0625 -18.0624 -7.8372 -7.8372 -4.9306 -4.9286 -4.5895 -4.5872 -4.5010 -4.5009 -0.2959 -0.2959 0.6539 0.6550 1.3675 1.3692 4.8919 4.8919 7.6805 7.6809 12.5915 12.5929 13.6927 13.6933 k = 0.0255-0.0222 0.0230 ( 3475 PWs) bands (ev): -47.8988 -47.8988 -22.9715 -22.9715 -19.9468 -19.9465 -19.7791 -19.7788 -19.7509 -19.7508 -18.0635 -18.0634 -7.8352 -7.8352 -4.9433 -4.9405 -4.5777 -4.5744 -4.5018 -4.5017 -0.2952 -0.2952 0.6461 0.6477 1.3711 1.3736 4.8941 4.8941 7.6883 7.6890 12.5929 12.5950 13.6352 13.6360 k = 0.0340-0.0295 0.0307 ( 3471 PWs) bands (ev): -47.8987 -47.8987 -22.9712 -22.9712 -19.9466 -19.9462 -19.7789 -19.7784 -19.7509 -19.7508 -18.0649 -18.0648 -7.8324 -7.8324 -4.9593 -4.9559 -4.5623 -4.5583 -4.5029 -4.5027 -0.2942 -0.2942 0.6357 0.6377 1.3763 1.3796 4.8972 4.8972 7.6993 7.7002 12.5943 12.5972 13.5685 13.5697 k = 0.0424-0.0369 0.0384 ( 3467 PWs) bands (ev): -47.8987 -47.8987 -22.9709 -22.9709 -19.9463 -19.9459 -19.7785 -19.7780 -19.7509 -19.7509 -18.0668 -18.0666 -7.8290 -7.8289 -4.9776 -4.9737 -4.5445 -4.5399 -4.5042 -4.5040 -0.2930 -0.2930 0.6226 0.6251 1.3830 1.3870 4.9012 4.9012 7.7133 7.7144 12.5951 12.5988 13.4973 13.4990 k = 0.0509-0.0443 0.0461 ( 3475 PWs) bands (ev): -47.8987 -47.8987 -22.9705 -22.9705 -19.9461 -19.9456 -19.7782 -19.7776 -19.7510 -19.7509 -18.0690 -18.0687 -7.8249 -7.8248 -4.9975 -4.9933 -4.5256 -4.5206 -4.5051 -4.5049 -0.2915 -0.2915 0.6073 0.6101 1.3909 1.3956 4.9060 4.9060 7.7303 7.7316 12.5943 12.5988 13.4244 13.4265 k = 0.0594-0.0517 0.0537 ( 3473 PWs) bands (ev): -47.8987 -47.8987 -22.9701 -22.9701 -19.9457 -19.9452 -19.7777 -19.7770 -19.7511 -19.7510 -18.0715 -18.0712 -7.8202 -7.8201 -5.0183 -5.0139 -4.5125 -4.5105 -4.4993 -4.4961 -0.2897 -0.2897 0.5899 0.5931 1.4001 1.4053 4.9116 4.9116 7.7501 7.7516 12.5908 12.5961 13.3514 13.3540 k = 0.0679-0.0591 0.0614 ( 3467 PWs) bands (ev): -47.8987 -47.8987 -22.9696 -22.9695 -19.9452 -19.9448 -19.7771 -19.7764 -19.7512 -19.7511 -18.0743 -18.0740 -7.8150 -7.8149 -5.0394 -5.0348 -4.5125 -4.5119 -4.4803 -4.4754 -0.2876 -0.2876 0.5709 0.5743 1.4103 1.4161 4.9180 4.9180 7.7726 7.7743 12.5832 12.5894 13.2797 13.2827 k = 0.0764-0.0665 0.0691 ( 3469 PWs) bands (ev): -47.8987 -47.8987 -22.9690 -22.9689 -19.9448 -19.9444 -19.7765 -19.7758 -19.7512 -19.7512 -18.0775 -18.0772 -7.8094 -7.8093 -5.0606 -5.0558 -4.5148 -4.5145 -4.4591 -4.4538 -0.2853 -0.2853 0.5503 0.5540 1.4214 1.4278 4.9252 4.9252 7.7976 7.7996 12.5700 12.5770 13.2101 13.2136 k = 0.0849-0.0739 0.0768 ( 3479 PWs) bands (ev): -47.8987 -47.8987 -22.9683 -22.9683 -19.9444 -19.9440 -19.7758 -19.7752 -19.7514 -19.7513 -18.0809 -18.0806 -7.8036 -7.8035 -5.0813 -5.0765 -4.5177 -4.5175 -4.4378 -4.4322 -0.2827 -0.2827 0.5287 0.5326 1.4335 1.4402 4.9331 4.9331 7.8251 7.8272 12.5498 12.5575 13.1432 13.1469 k = 0.0934-0.0812 0.0844 ( 3481 PWs) bands (ev): -47.8987 -47.8987 -22.9676 -22.9676 -19.9438 -19.9436 -19.7751 -19.7745 -19.7515 -19.7514 -18.0846 -18.0842 -7.7976 -7.7975 -5.1014 -5.0966 -4.5210 -4.5208 -4.4167 -4.4110 -0.2799 -0.2798 0.5063 0.5103 1.4462 1.4534 4.9416 4.9417 7.8549 7.8571 12.5215 12.5298 13.0790 13.0828 k = 0.1019-0.0886 0.0921 ( 3485 PWs) bands (ev): -47.8987 -47.8987 -22.9669 -22.9668 -19.9433 -19.9432 -19.7743 -19.7739 -19.7516 -19.7515 -18.0884 -18.0881 -7.7915 -7.7914 -5.1206 -5.1157 -4.5246 -4.5245 -4.3963 -4.3904 -0.2767 -0.2767 0.4833 0.4876 1.4596 1.4672 4.9509 4.9509 7.8867 7.8892 12.4846 12.4931 13.0170 13.0207 k = 0.1104-0.0960 0.0998 ( 3485 PWs) bands (ev): -47.8987 -47.8987 -22.9660 -22.9660 -19.9428 -19.9427 -19.7735 -19.7732 -19.7517 -19.7517 -18.0925 -18.0921 -7.7855 -7.7854 -5.1386 -5.1338 -4.5285 -4.5283 -4.3767 -4.3707 -0.2733 -0.2733 0.4603 0.4646 1.4736 1.4815 4.9607 4.9607 7.9205 7.9231 12.4391 12.4477 12.9562 12.9597 k = 0.1189-0.1034 0.1075 ( 3485 PWs) bands (ev): -47.8987 -47.8987 -22.9651 -22.9651 -19.9424 -19.9421 -19.7726 -19.7725 -19.7518 -19.7518 -18.0966 -18.0962 -7.7797 -7.7796 -5.1554 -5.1505 -4.5326 -4.5325 -4.3580 -4.3519 -0.2696 -0.2696 0.4373 0.4417 1.4880 1.4962 4.9710 4.9710 7.9561 7.9588 12.3859 12.3943 12.8953 12.8983 k = 0.1273-0.1108 0.1151 ( 3485 PWs) bands (ev): -47.8987 -47.8987 -22.9642 -22.9641 -19.9420 -19.9416 -19.7718 -19.7718 -19.7520 -19.7520 -18.1009 -18.1005 -7.7743 -7.7742 -5.1706 -5.1658 -4.5370 -4.5369 -4.3404 -4.3342 -0.2657 -0.2656 0.4148 0.4193 1.5029 1.5113 4.9819 4.9819 7.9932 7.9961 12.3260 12.3340 12.8331 12.8356 k = 0.1358-0.1182 0.1228 ( 3481 PWs) bands (ev): -47.8987 -47.8987 -22.9632 -22.9631 -19.9417 -19.9410 -19.7712 -19.7709 -19.7521 -19.7521 -18.1052 -18.1048 -7.7694 -7.7693 -5.1842 -5.1794 -4.5416 -4.5415 -4.3240 -4.3178 -0.2615 -0.2614 0.3930 0.3976 1.5181 1.5268 4.9933 4.9933 8.0319 8.0348 12.2606 12.2682 12.7688 12.7708 k = 0.1443-0.1256 0.1305 ( 3473 PWs) bands (ev): -47.8987 -47.8987 -22.9621 -22.9620 -19.9414 -19.9404 -19.7706 -19.7700 -19.7522 -19.7522 -18.1095 -18.1091 -7.7650 -7.7650 -5.1961 -5.1913 -4.5464 -4.5463 -4.3089 -4.3027 -0.2570 -0.2569 0.3722 0.3769 1.5335 1.5425 5.0050 5.0050 8.0718 8.0748 12.1911 12.1981 12.7022 12.7036 k = 0.1528-0.1329 0.1382 ( 3475 PWs) bands (ev): -47.8987 -47.8987 -22.9610 -22.9609 -19.9412 -19.9398 -19.7701 -19.7692 -19.7524 -19.7523 -18.1138 -18.1134 -7.7615 -7.7614 -5.2061 -5.2013 -4.5515 -4.5514 -4.2953 -4.2890 -0.2523 -0.2522 0.3527 0.3574 1.5491 1.5583 5.0171 5.0171 8.1129 8.1160 12.1182 12.1248 12.6332 12.6342 k = 0.1613-0.1403 0.1459 ( 3479 PWs) bands (ev): -47.8987 -47.8987 -22.9598 -22.9597 -19.9411 -19.9393 -19.7697 -19.7684 -19.7526 -19.7524 -18.1180 -18.1177 -7.7588 -7.7587 -5.2141 -5.2094 -4.5567 -4.5566 -4.2832 -4.2769 -0.2473 -0.2473 0.3347 0.3394 1.5649 1.5743 5.0294 5.0295 8.1550 8.1581 12.0429 12.0489 12.5623 12.5629 k = 0.1698-0.1477 0.1535 ( 3483 PWs) bands (ev): -47.8987 -47.8987 -22.9586 -22.9584 -19.9410 -19.9388 -19.7693 -19.7677 -19.7528 -19.7525 -18.1221 -18.1219 -7.7570 -7.7570 -5.2200 -5.2154 -4.5620 -4.5619 -4.2726 -4.2663 -0.2422 -0.2421 0.3184 0.3232 1.5808 1.5904 5.0420 5.0421 8.1979 8.2012 11.9657 11.9712 12.4901 12.4903 k = 0.1783-0.1551 0.1612 ( 3487 PWs) bands (ev): -47.8987 -47.8987 -22.9573 -22.9572 -19.9410 -19.9384 -19.7691 -19.7671 -19.7530 -19.7527 -18.1261 -18.1259 -7.7564 -7.7564 -5.2238 -5.2192 -4.5675 -4.5675 -4.2636 -4.2574 -0.2367 -0.2367 0.3041 0.3090 1.5967 1.6064 5.0548 5.0548 8.2417 8.2449 11.8870 11.8922 12.4170 12.4172 k = 0.1868-0.1625 0.1689 ( 3485 PWs) bands (ev): -47.8987 -47.8987 -22.9560 -22.9559 -19.9410 -19.9380 -19.7689 -19.7665 -19.7532 -19.7528 -18.1300 -18.1298 -7.7569 -7.7569 -5.2254 -5.2209 -4.5732 -4.5731 -4.2563 -4.2501 -0.2311 -0.2311 0.2920 0.2970 1.6126 1.6224 5.0678 5.0678 8.2860 8.2893 11.8074 11.8122 12.3435 12.3440 k = 0.1953-0.1699 0.1766 ( 3481 PWs) bands (ev): -47.8986 -47.8986 -22.9546 -22.9545 -19.9412 -19.9376 -19.7689 -19.7661 -19.7533 -19.7528 -18.1336 -18.1335 -7.7586 -7.7586 -5.2248 -5.2203 -4.5789 -4.5788 -4.2506 -4.2444 -0.2252 -0.2252 0.2822 0.2873 1.6283 1.6383 5.0808 5.0808 8.3309 8.3343 11.7271 11.7314 12.2704 12.2713 k = 0.2037-0.1773 0.1842 ( 3469 PWs) bands (ev): -47.8986 -47.8986 -22.9532 -22.9531 -19.9413 -19.9373 -19.7690 -19.7657 -19.7534 -19.7529 -18.1370 -18.1369 -7.7616 -7.7615 -5.2220 -5.2176 -4.5847 -4.5846 -4.2466 -4.2404 -0.2192 -0.2191 0.2749 0.2801 1.6438 1.6540 5.0938 5.0938 8.3763 8.3796 11.6463 11.6503 12.1981 12.1992 k = 0.2122-0.1846 0.1919 ( 3463 PWs) bands (ev): -47.8986 -47.8986 -22.9518 -22.9516 -19.9416 -19.9371 -19.7692 -19.7654 -19.7535 -19.7529 -18.1401 -18.1401 -7.7659 -7.7658 -5.2170 -5.2127 -4.5906 -4.5905 -4.2443 -4.2381 -0.2129 -0.2129 0.2703 0.2755 1.6591 1.6694 5.1068 5.1068 8.4221 8.4254 11.5652 11.5689 12.1271 12.1284 k = 0.2207-0.1920 0.1996 ( 3467 PWs) bands (ev): -47.8986 -47.8986 -22.9503 -22.9502 -19.9420 -19.9369 -19.7697 -19.7654 -19.7536 -19.7530 -18.1430 -18.1430 -7.7715 -7.7714 -5.2100 -5.2057 -4.5966 -4.5965 -4.2436 -4.2375 -0.2065 -0.2065 0.2683 0.2737 1.6741 1.6845 5.1197 5.1198 8.4681 8.4714 11.4841 11.4875 12.0575 12.0590 k = 0.2292-0.1994 0.2073 ( 3471 PWs) bands (ev): -47.8986 -47.8986 -22.9488 -22.9487 -19.9424 -19.9369 -19.7703 -19.7655 -19.7537 -19.7530 -18.1456 -18.1456 -7.7784 -7.7783 -5.2009 -5.1967 -4.6026 -4.6025 -4.2445 -4.2385 -0.2000 -0.1999 0.2692 0.2747 1.6886 1.6992 5.1325 5.1325 8.5144 8.5177 11.4031 11.4062 11.9896 11.9913 k = 0.2377-0.2068 0.2149 ( 3467 PWs) bands (ev): -47.8986 -47.8986 -22.9473 -22.9472 -19.9429 -19.9369 -19.7710 -19.7657 -19.7538 -19.7531 -18.1480 -18.1478 -7.7866 -7.7864 -5.1898 -5.1857 -4.6086 -4.6085 -4.2469 -4.2410 -0.1932 -0.1932 0.2730 0.2786 1.7028 1.7135 5.1451 5.1452 8.5609 8.5641 11.3225 11.3253 11.9237 11.9256 k = 0.2462-0.2142 0.2226 ( 3471 PWs) bands (ev): -47.8986 -47.8986 -22.9458 -22.9456 -19.9435 -19.9370 -19.7718 -19.7660 -19.7539 -19.7531 -18.1499 -18.1498 -7.7960 -7.7958 -5.1769 -5.1729 -4.6146 -4.6146 -4.2509 -4.2450 -0.1864 -0.1864 0.2796 0.2853 1.7164 1.7271 5.1575 5.1576 8.6076 8.6107 11.2423 11.2449 11.8599 11.8618 k = 0.2547-0.2216 0.2303 ( 3471 PWs) bands (ev): -47.8986 -47.8986 -22.9442 -22.9441 -19.9442 -19.9372 -19.7728 -19.7665 -19.7540 -19.7532 -18.1516 -18.1514 -7.8066 -7.8064 -5.1623 -5.1583 -4.6206 -4.6206 -4.2562 -4.2505 -0.1795 -0.1794 0.2891 0.2950 1.7293 1.7402 5.1697 5.1697 8.6543 8.6574 11.1627 11.1652 11.7983 11.8003 k = 0.2632-0.2290 0.2380 ( 3471 PWs) bands (ev): -47.8985 -47.8985 -22.9427 -22.9425 -19.9450 -19.9375 -19.7739 -19.7670 -19.7541 -19.7533 -18.1529 -18.1526 -7.8183 -7.8180 -5.1460 -5.1421 -4.6266 -4.6266 -4.2629 -4.2572 -0.1725 -0.1724 0.3016 0.3075 1.7416 1.7526 5.1815 5.1816 8.7013 8.7042 11.0840 11.0863 11.7389 11.7410 k = 0.2717-0.2363 0.2456 ( 3459 PWs) bands (ev): -47.8985 -47.8985 -22.9411 -22.9409 -19.9457 -19.9378 -19.7750 -19.7677 -19.7542 -19.7533 -18.1539 -18.1535 -7.8309 -7.8306 -5.1283 -5.1244 -4.6325 -4.6325 -4.2708 -4.2652 -0.1654 -0.1653 0.3169 0.3230 1.7532 1.7643 5.1931 5.1931 8.7483 8.7512 11.0062 11.0085 11.6818 11.6839 k = 0.2802-0.2437 0.2533 ( 3461 PWs) bands (ev): -47.8985 -47.8985 -22.9395 -22.9393 -19.9466 -19.9383 -19.7764 -19.7686 -19.7543 -19.7535 -18.1546 -18.1542 -7.8445 -7.8442 -5.1093 -5.1055 -4.6384 -4.6383 -4.2799 -4.2744 -0.1582 -0.1582 0.3349 0.3411 1.7639 1.7751 5.2042 5.2043 8.7954 8.7982 10.9296 10.9317 11.6271 11.6292 k = 0.2886-0.2511 0.2610 ( 3457 PWs) bands (ev): -47.8985 -47.8985 -22.9379 -22.9378 -19.9476 -19.9388 -19.7777 -19.7695 -19.7544 -19.7536 -18.1549 -18.1544 -7.8588 -7.8585 -5.0892 -5.0855 -4.6442 -4.6441 -4.2899 -4.2845 -0.1511 -0.1511 0.3556 0.3620 1.7738 1.7850 5.2150 5.2151 8.8427 8.8454 10.8543 10.8564 11.5747 11.5767 k = 0.2971-0.2585 0.2687 ( 3461 PWs) bands (ev): -47.8985 -47.8985 -22.9364 -22.9362 -19.9486 -19.9395 -19.7792 -19.7706 -19.7545 -19.7537 -18.1549 -18.1544 -7.8738 -7.8735 -5.0682 -5.0645 -4.6499 -4.6498 -4.3009 -4.2955 -0.1439 -0.1439 0.3788 0.3854 1.7826 1.7939 5.2254 5.2254 8.8901 8.8927 10.7804 10.7825 11.5246 11.5266 k = 0.3056-0.2659 0.2764 ( 3461 PWs) bands (ev): -47.8985 -47.8985 -22.9348 -22.9347 -19.9496 -19.9403 -19.7808 -19.7717 -19.7546 -19.7539 -18.1546 -18.1540 -7.8894 -7.8891 -5.0464 -5.0427 -4.6555 -4.6554 -4.3126 -4.3073 -0.1368 -0.1368 0.4045 0.4112 1.7905 1.8018 5.2354 5.2354 8.9377 8.9401 10.7082 10.7102 11.4768 11.4788 k = 0.3141-0.2733 0.2840 ( 3457 PWs) bands (ev): -47.8985 -47.8985 -22.9333 -22.9331 -19.9507 -19.9411 -19.7823 -19.7730 -19.7547 -19.7540 -18.1540 -18.1534 -7.9054 -7.9051 -5.0240 -5.0204 -4.6609 -4.6609 -4.3249 -4.3198 -0.1298 -0.1298 0.4325 0.4393 1.7972 1.8086 5.2449 5.2449 8.9855 8.9878 10.6378 10.6398 11.4314 11.4332 k = 0.3226-0.2807 0.2917 ( 3449 PWs) bands (ev): -47.8984 -47.8984 -22.9318 -22.9316 -19.9518 -19.9420 -19.7839 -19.7743 -19.7548 -19.7541 -18.1531 -18.1525 -7.9218 -7.9214 -5.0012 -4.9976 -4.6662 -4.6662 -4.3377 -4.3327 -0.1228 -0.1228 0.4625 0.4696 1.8029 1.8143 5.2540 5.2540 9.0335 9.0356 10.5694 10.5714 11.3881 11.3899 k = 0.3311-0.2880 0.2994 ( 3447 PWs) bands (ev): -47.8984 -47.8984 -22.9303 -22.9301 -19.9530 -19.9430 -19.7855 -19.7756 -19.7549 -19.7543 -18.1520 -18.1514 -7.9383 -7.9379 -4.9781 -4.9746 -4.6714 -4.6713 -4.3510 -4.3460 -0.1159 -0.1159 0.4946 0.5017 1.8073 1.8187 5.2626 5.2626 9.0818 9.0838 10.5031 10.5051 11.3471 11.3487 k = 0.3396-0.2954 0.3071 ( 3443 PWs) bands (ev): -47.8984 -47.8984 -22.9289 -22.9287 -19.9541 -19.9441 -19.7870 -19.7771 -19.7550 -19.7544 -18.1507 -18.1500 -7.9549 -7.9545 -4.9550 -4.9514 -4.6764 -4.6763 -4.3644 -4.3596 -0.1091 -0.1091 0.5283 0.5356 1.8104 1.8219 5.2707 5.2707 9.1304 9.1321 10.4391 10.4411 11.3083 11.3097 k = 0.3481-0.3028 0.3147 ( 3457 PWs) bands (ev): -47.8984 -47.8984 -22.9275 -22.9273 -19.9554 -19.9454 -19.7887 -19.7787 -19.7551 -19.7546 -18.1492 -18.1485 -7.9714 -7.9710 -4.9320 -4.9285 -4.6812 -4.6811 -4.3781 -4.3734 -0.1025 -0.1025 0.5636 0.5710 1.8123 1.8237 5.2783 5.2783 9.1792 9.1808 10.3777 10.3797 11.2716 11.2728 k = 0.3566-0.3102 0.3224 ( 3453 PWs) bands (ev): -47.8984 -47.8984 -22.9261 -22.9259 -19.9566 -19.9467 -19.7902 -19.7802 -19.7552 -19.7548 -18.1476 -18.1469 -7.9878 -7.9874 -4.9092 -4.9057 -4.6859 -4.6858 -4.3918 -4.3872 -0.0961 -0.0961 0.6001 0.6077 1.8129 1.8243 5.2854 5.2855 9.2284 9.2297 10.3190 10.3211 11.2370 11.2380 k = 0.3651-0.3176 0.3301 ( 3453 PWs) bands (ev): -47.8984 -47.8984 -22.9248 -22.9246 -19.9578 -19.9480 -19.7917 -19.7818 -19.7553 -19.7549 -18.1458 -18.1451 -8.0038 -8.0035 -4.8868 -4.8833 -4.6903 -4.6902 -4.4054 -4.4008 -0.0899 -0.0898 0.6377 0.6454 1.8121 1.8234 5.2921 5.2921 9.2777 9.2789 10.2634 10.2656 11.2043 11.2051 k = 0.3735-0.3250 0.3378 ( 3445 PWs) bands (ev): -47.8984 -47.8984 -22.9235 -22.9233 -19.9589 -19.9493 -19.7931 -19.7833 -19.7554 -19.7551 -18.1439 -18.1432 -8.0195 -8.0191 -4.8649 -4.8615 -4.6945 -4.6944 -4.4187 -4.4143 -0.0839 -0.0838 0.6762 0.6839 1.8100 1.8213 5.2984 5.2984 9.3272 9.3281 10.2111 10.2134 11.1736 11.1741 k = 0.3820-0.3324 0.3454 ( 3441 PWs) bands (ev): -47.8984 -47.8984 -22.9223 -22.9221 -19.9600 -19.9507 -19.7944 -19.7849 -19.7555 -19.7552 -18.1419 -18.1412 -8.0346 -8.0343 -4.8438 -4.8403 -4.6985 -4.6984 -4.4318 -4.4275 -0.0781 -0.0781 0.7151 0.7228 1.8066 1.8177 5.3041 5.3041 9.3767 9.3773 10.1626 10.1650 11.1447 11.1449 k = 0.3905-0.3397 0.3531 ( 3441 PWs) bands (ev): -47.8984 -47.8984 -22.9211 -22.9210 -19.9611 -19.9521 -19.7956 -19.7864 -19.7556 -19.7553 -18.1399 -18.1393 -8.0492 -8.0489 -4.8234 -4.8200 -4.7022 -4.7021 -4.4445 -4.4402 -0.0727 -0.0726 0.7542 0.7620 1.8019 1.8129 5.3094 5.3094 9.4258 9.4262 10.1183 10.1208 11.1173 11.1174 k = 0.3990-0.3471 0.3608 ( 3430 PWs) bands (ev): -47.8984 -47.8984 -22.9200 -22.9199 -19.9621 -19.9535 -19.7967 -19.7879 -19.7556 -19.7554 -18.1379 -18.1373 -8.0630 -8.0627 -4.8040 -4.8006 -4.7057 -4.7056 -4.4566 -4.4525 -0.0675 -0.0674 0.7932 0.8010 1.7960 1.8067 5.3142 5.3142 9.4741 9.4741 10.0791 10.0817 11.0912 11.0917 k = 0.4075-0.3545 0.3685 ( 3428 PWs) bands (ev): -47.8983 -47.8983 -22.9190 -22.9189 -19.9630 -19.9550 -19.7977 -19.7894 -19.7557 -19.7556 -18.1359 -18.1353 -8.0761 -8.0758 -4.7856 -4.7823 -4.7089 -4.7088 -4.4682 -4.4643 -0.0626 -0.0626 0.8319 0.8396 1.7890 1.7994 5.3186 5.3186 9.5203 9.5206 10.0458 10.0486 11.0663 11.0671 k = 0.4160-0.3619 0.3761 ( 3422 PWs) bands (ev): -47.8983 -47.8983 -22.9181 -22.9180 -19.9638 -19.9563 -19.7985 -19.7908 -19.7558 -19.7556 -18.1340 -18.1335 -8.0883 -8.0880 -4.7684 -4.7651 -4.7119 -4.7117 -4.4792 -4.4754 -0.0581 -0.0581 0.8697 0.8772 1.7810 1.7910 5.3225 5.3225 9.5634 9.5640 10.0200 10.0231 11.0420 11.0434 k = 0.4245-0.3693 0.3838 ( 3422 PWs) bands (ev): -47.8983 -47.8983 -22.9172 -22.9171 -19.9646 -19.9577 -19.7993 -19.7921 -19.7559 -19.7557 -18.1322 -18.1317 -8.0995 -8.0993 -4.7524 -4.7491 -4.7146 -4.7143 -4.4894 -4.4858 -0.0540 -0.0540 0.9063 0.9137 1.7721 1.7817 5.3260 5.3260 9.6014 9.6024 10.0038 10.0071 11.0177 11.0197 k = 0.4330-0.3767 0.3915 ( 3418 PWs) bands (ev): -47.8983 -47.8983 -22.9164 -22.9163 -19.9653 -19.9590 -19.7999 -19.7934 -19.7560 -19.7558 -18.1305 -18.1300 -8.1098 -8.1095 -4.7379 -4.7345 -4.7170 -4.7166 -4.4988 -4.4954 -0.0503 -0.0503 0.9413 0.9484 1.7627 1.7717 5.3291 5.3291 9.6321 9.6334 9.9997 10.0030 10.9921 10.9948 k = 0.4415-0.3841 0.3992 ( 3412 PWs) bands (ev): -47.8983 -47.8983 -22.9157 -22.9157 -19.9658 -19.9602 -19.8004 -19.7946 -19.7560 -19.7559 -18.1289 -18.1285 -8.1189 -8.1187 -4.7256 -4.7218 -4.7186 -4.7177 -4.5074 -4.5042 -0.0469 -0.0469 0.9743 0.9810 1.7529 1.7613 5.3318 5.3318 9.6536 9.6549 10.0094 10.0128 10.9629 10.9663 k = 0.4499-0.3914 0.4069 ( 3412 PWs) bands (ev): -47.8983 -47.8983 -22.9151 -22.9151 -19.9663 -19.9614 -19.8008 -19.7958 -19.7561 -19.7560 -18.1275 -18.1272 -8.1270 -8.1268 -4.7221 -4.7213 -4.7112 -4.7094 -4.5150 -4.5121 -0.0440 -0.0440 1.0047 1.0108 1.7432 1.7508 5.3342 5.3342 9.6656 9.6668 10.0330 10.0361 10.9268 10.9308 k = 0.4584-0.3988 0.4145 ( 3422 PWs) bands (ev): -47.8983 -47.8983 -22.9146 -22.9146 -19.9666 -19.9626 -19.8011 -19.7969 -19.7561 -19.7561 -18.1263 -18.1260 -8.1338 -8.1337 -4.7232 -4.7229 -4.7014 -4.6994 -4.5217 -4.5190 -0.0416 -0.0416 1.0319 1.0373 1.7339 1.7406 5.3361 5.3361 9.6700 9.6711 10.0679 10.0707 10.8807 10.8848 k = 0.4669-0.4062 0.4222 ( 3430 PWs) bands (ev): -47.8983 -47.8983 -22.9142 -22.9142 -19.9669 -19.9636 -19.8013 -19.7978 -19.7562 -19.7561 -18.1253 -18.1250 -8.1395 -8.1393 -4.7243 -4.7242 -4.6929 -4.6911 -4.5272 -4.5250 -0.0396 -0.0396 1.0553 1.0599 1.7256 1.7312 5.3376 5.3376 9.6698 9.6706 10.1100 10.1123 10.8255 10.8290 k = 0.4754-0.4136 0.4299 ( 3438 PWs) bands (ev): -47.8983 -47.8983 -22.9139 -22.9138 -19.9670 -19.9645 -19.8013 -19.7987 -19.7563 -19.7562 -18.1245 -18.1243 -8.1438 -8.1438 -4.7253 -4.7252 -4.6861 -4.6846 -4.5315 -4.5298 -0.0380 -0.0380 1.0744 1.0780 1.7186 1.7230 5.3388 5.3388 9.6674 9.6680 10.1546 10.1565 10.7673 10.7700 k = 0.4754-0.4136 0.4299 ( 3438 PWs) bands (ev): -47.8983 -47.8983 -22.9139 -22.9138 -19.9670 -19.9645 -19.8013 -19.7987 -19.7563 -19.7562 -18.1245 -18.1243 -8.1438 -8.1438 -4.7253 -4.7252 -4.6861 -4.6846 -4.5315 -4.5298 -0.0380 -0.0380 1.0744 1.0780 1.7186 1.7230 5.3388 5.3388 9.6674 9.6680 10.1546 10.1565 10.7673 10.7700 k = 0.4760-0.4012 0.4247 ( 3435 PWs) bands (ev): -47.8983 -47.8983 -22.9141 -22.9141 -19.9669 -19.9639 -19.8013 -19.7981 -19.7562 -19.7562 -18.1250 -18.1248 -8.1409 -8.1408 -4.7246 -4.7244 -4.6907 -4.6890 -4.5287 -4.5266 -0.0391 -0.0391 1.0617 1.0660 1.7231 1.7284 5.3379 5.3379 9.6660 9.6668 10.1243 10.1265 10.8089 10.8121 k = 0.4767-0.3888 0.4194 ( 3433 PWs) bands (ev): -47.8983 -47.8983 -22.9145 -22.9144 -19.9668 -19.9632 -19.8012 -19.7975 -19.7562 -19.7561 -18.1256 -18.1253 -8.1373 -8.1371 -4.7236 -4.7234 -4.6963 -4.6945 -4.5253 -4.5229 -0.0407 -0.0407 1.0466 1.0515 1.7283 1.7343 5.3364 5.3364 9.6584 9.6592 10.0936 10.0961 10.8558 10.8594 k = 0.4773-0.3764 0.4142 ( 3428 PWs) bands (ev): -47.8983 -47.8983 -22.9149 -22.9149 -19.9665 -19.9625 -19.8010 -19.7967 -19.7561 -19.7560 -18.1262 -18.1259 -8.1329 -8.1328 -4.7224 -4.7221 -4.7030 -4.7011 -4.5212 -4.5186 -0.0427 -0.0426 1.0294 1.0348 1.7339 1.7406 5.3344 5.3344 9.6454 9.6464 10.0629 10.0655 10.9082 10.9120 k = 0.4779-0.3640 0.4090 ( 3424 PWs) bands (ev): -47.8983 -47.8983 -22.9155 -22.9154 -19.9662 -19.9616 -19.8007 -19.7959 -19.7559 -19.7559 -18.1268 -18.1265 -8.1278 -8.1277 -4.7212 -4.7205 -4.7104 -4.7087 -4.5164 -4.5136 -0.0450 -0.0450 1.0102 1.0161 1.7397 1.7470 5.3319 5.3319 9.6282 9.6293 10.0320 10.0347 10.9661 10.9700 k = 0.4786-0.3516 0.4038 ( 3422 PWs) bands (ev): -47.8983 -47.8983 -22.9161 -22.9161 -19.9658 -19.9607 -19.8003 -19.7951 -19.7558 -19.7557 -18.1276 -18.1272 -8.1221 -8.1219 -4.7226 -4.7196 -4.7167 -4.7161 -4.5110 -4.5081 -0.0478 -0.0478 0.9894 0.9957 1.7456 1.7534 5.3289 5.3289 9.6078 9.6090 10.0009 10.0038 11.0295 11.0334 k = 0.4792-0.3392 0.3985 ( 3427 PWs) bands (ev): -47.8983 -47.8983 -22.9169 -22.9168 -19.9654 -19.9598 -19.7999 -19.7942 -19.7557 -19.7556 -18.1283 -18.1279 -8.1156 -8.1154 -4.7312 -4.7282 -4.7160 -4.7155 -4.5050 -4.5020 -0.0510 -0.0510 0.9672 0.9737 1.7514 1.7597 5.3255 5.3255 9.5852 9.5865 9.9699 9.9729 11.0983 11.1021 k = 0.4798-0.3268 0.3933 ( 3427 PWs) bands (ev): -47.8983 -47.8983 -22.9177 -22.9176 -19.9648 -19.9588 -19.7994 -19.7932 -19.7555 -19.7553 -18.1291 -18.1287 -8.1086 -8.1083 -4.7421 -4.7393 -4.7136 -4.7133 -4.4982 -4.4952 -0.0545 -0.0545 0.9437 0.9505 1.7570 1.7656 5.3216 5.3216 9.5613 9.5626 9.9391 9.9421 11.1718 11.1754 k = 0.4805-0.3144 0.3881 ( 3426 PWs) bands (ev): -47.8983 -47.8983 -22.9186 -22.9185 -19.9642 -19.9578 -19.7988 -19.7922 -19.7553 -19.7551 -18.1300 -18.1295 -8.1008 -8.1006 -4.7543 -4.7516 -4.7109 -4.7107 -4.4908 -4.4878 -0.0583 -0.0583 0.9193 0.9263 1.7622 1.7711 5.3173 5.3173 9.5367 9.5380 9.9088 9.9119 11.2494 11.2527 k = 0.4811-0.3020 0.3828 ( 3429 PWs) bands (ev): -47.8983 -47.8983 -22.9196 -22.9195 -19.9635 -19.9568 -19.7981 -19.7912 -19.7551 -19.7549 -18.1309 -18.1304 -8.0925 -8.0923 -4.7676 -4.7650 -4.7080 -4.7079 -4.4828 -4.4798 -0.0625 -0.0625 0.8942 0.9012 1.7670 1.7761 5.3127 5.3127 9.5116 9.5130 9.8794 9.8825 11.3301 11.3329 k = 0.4817-0.2896 0.3776 ( 3434 PWs) bands (ev): -47.8984 -47.8984 -22.9207 -22.9206 -19.9627 -19.9557 -19.7973 -19.7901 -19.7549 -19.7546 -18.1318 -18.1313 -8.0836 -8.0834 -4.7820 -4.7794 -4.7049 -4.7047 -4.4743 -4.4713 -0.0670 -0.0670 0.8684 0.8755 1.7712 1.7805 5.3077 5.3077 9.4866 9.4879 9.8511 9.8543 11.4128 11.4151 k = 0.4823-0.2772 0.3724 ( 3434 PWs) bands (ev): -47.8984 -47.8984 -22.9218 -22.9217 -19.9619 -19.9546 -19.7964 -19.7890 -19.7547 -19.7543 -18.1328 -18.1322 -8.0742 -8.0739 -4.7972 -4.7948 -4.7015 -4.7014 -4.4652 -4.4622 -0.0717 -0.0717 0.8423 0.8494 1.7748 1.7842 5.3023 5.3024 9.4616 9.4629 9.8242 9.8275 11.4967 11.4982 k = 0.4830-0.2648 0.3672 ( 3443 PWs) bands (ev): -47.8984 -47.8984 -22.9230 -22.9229 -19.9611 -19.9535 -19.7955 -19.7879 -19.7545 -19.7540 -18.1338 -18.1332 -8.0643 -8.0640 -4.8133 -4.8110 -4.6980 -4.6979 -4.4556 -4.4527 -0.0768 -0.0768 0.8159 0.8230 1.7777 1.7872 5.2968 5.2968 9.4369 9.4382 9.7991 9.8024 11.5808 11.5815 k = 0.4836-0.2524 0.3619 ( 3447 PWs) bands (ev): -47.8984 -47.8984 -22.9243 -22.9242 -19.9601 -19.9523 -19.7945 -19.7868 -19.7542 -19.7537 -18.1348 -18.1342 -8.0539 -8.0536 -4.8303 -4.8281 -4.6943 -4.6942 -4.4456 -4.4428 -0.0820 -0.0820 0.7894 0.7965 1.7800 1.7895 5.2909 5.2910 9.4124 9.4137 9.7760 9.7793 11.6644 11.6645 k = 0.4842-0.2400 0.3567 ( 3450 PWs) bands (ev): -47.8984 -47.8984 -22.9256 -22.9254 -19.9592 -19.9512 -19.7934 -19.7856 -19.7539 -19.7534 -18.1358 -18.1352 -8.0430 -8.0427 -4.8479 -4.8458 -4.6904 -4.6904 -4.4352 -4.4325 -0.0874 -0.0874 0.7630 0.7700 1.7817 1.7911 5.2849 5.2849 9.3882 9.3894 9.7550 9.7583 11.7465 11.7474 k = 0.4849-0.2276 0.3515 ( 3454 PWs) bands (ev): -47.8984 -47.8984 -22.9269 -22.9268 -19.9582 -19.9501 -19.7923 -19.7844 -19.7537 -19.7530 -18.1368 -18.1362 -8.0318 -8.0315 -4.8662 -4.8642 -4.6865 -4.6864 -4.4245 -4.4219 -0.0930 -0.0930 0.7368 0.7437 1.7826 1.7920 5.2787 5.2788 9.3643 9.3655 9.7364 9.7395 11.8279 11.8295 k = 0.4855-0.2152 0.3463 ( 3458 PWs) bands (ev): -47.8984 -47.8984 -22.9282 -22.9281 -19.9571 -19.9490 -19.7911 -19.7832 -19.7534 -19.7527 -18.1378 -18.1372 -8.0202 -8.0199 -4.8850 -4.8832 -4.6824 -4.6824 -4.4136 -4.4110 -0.0988 -0.0988 0.7109 0.7176 1.7830 1.7922 5.2724 5.2725 9.3407 9.3418 9.7200 9.7232 11.9084 11.9106 k = 0.4861-0.2028 0.3410 ( 3457 PWs) bands (ev): -47.8984 -47.8984 -22.9296 -22.9295 -19.9560 -19.9479 -19.7899 -19.7820 -19.7531 -19.7523 -18.1389 -18.1382 -8.0084 -8.0081 -4.9043 -4.9025 -4.6783 -4.6782 -4.4024 -4.3999 -0.1046 -0.1046 0.6854 0.6919 1.7827 1.7918 5.2661 5.2661 9.3174 9.3184 9.7061 9.7091 11.9881 11.9909 k = 0.4868-0.1905 0.3358 ( 3455 PWs) bands (ev): -47.8984 -47.8984 -22.9310 -22.9309 -19.9549 -19.9468 -19.7886 -19.7808 -19.7528 -19.7519 -18.1399 -18.1392 -7.9963 -7.9960 -4.9239 -4.9223 -4.6741 -4.6741 -4.3911 -4.3887 -0.1105 -0.1105 0.6604 0.6668 1.7818 1.7908 5.2597 5.2597 9.2945 9.2954 9.6945 9.6974 12.0672 12.0704 k = 0.4874-0.1781 0.3306 ( 3455 PWs) bands (ev): -47.8984 -47.8984 -22.9324 -22.9323 -19.9538 -19.9457 -19.7872 -19.7797 -19.7525 -19.7515 -18.1409 -18.1403 -7.9841 -7.9837 -4.9438 -4.9423 -4.6699 -4.6698 -4.3797 -4.3774 -0.1164 -0.1164 0.6361 0.6423 1.7804 1.7892 5.2533 5.2533 9.2720 9.2727 9.6851 9.6879 12.1455 12.1490 k = 0.4880-0.1657 0.3254 ( 3452 PWs) bands (ev): -47.8984 -47.8984 -22.9338 -22.9336 -19.9527 -19.9447 -19.7859 -19.7785 -19.7522 -19.7511 -18.1419 -18.1413 -7.9717 -7.9714 -4.9638 -4.9623 -4.6657 -4.6656 -4.3683 -4.3661 -0.1224 -0.1223 0.6124 0.6184 1.7785 1.7871 5.2469 5.2469 9.2500 9.2506 9.6779 9.6806 12.2230 12.2268 k = 0.4887-0.1533 0.3201 ( 3450 PWs) bands (ev): -47.8985 -47.8985 -22.9351 -22.9350 -19.9516 -19.9437 -19.7845 -19.7774 -19.7518 -19.7506 -18.1429 -18.1423 -7.9593 -7.9590 -4.9838 -4.9825 -4.6615 -4.6614 -4.3570 -4.3549 -0.1282 -0.1282 0.5896 0.5953 1.7762 1.7845 5.2406 5.2407 9.2286 9.2291 9.6726 9.6751 12.2997 12.3037 k = 0.4893-0.1409 0.3149 ( 3452 PWs) bands (ev): -47.8985 -47.8985 -22.9365 -22.9363 -19.9504 -19.9428 -19.7831 -19.7763 -19.7516 -19.7503 -18.1439 -18.1432 -7.9469 -7.9466 -5.0037 -5.0024 -4.6574 -4.6573 -4.3458 -4.3438 -0.1341 -0.1341 0.5676 0.5731 1.7736 1.7815 5.2345 5.2345 9.2078 9.2082 9.6692 9.6715 12.3754 12.3796 k = 0.4899-0.1285 0.3097 ( 3456 PWs) bands (ev): -47.8985 -47.8985 -22.9378 -22.9377 -19.9494 -19.9419 -19.7818 -19.7752 -19.7513 -19.7499 -18.1448 -18.1442 -7.9347 -7.9344 -5.0234 -5.0222 -4.6533 -4.6533 -4.3348 -4.3329 -0.1398 -0.1398 0.5465 0.5517 1.7706 1.7782 5.2285 5.2285 9.1877 9.1880 9.6673 9.6695 12.4501 12.4544 k = 0.4905-0.1161 0.3045 ( 3454 PWs) bands (ev): -47.8985 -47.8985 -22.9391 -22.9389 -19.9483 -19.9411 -19.7804 -19.7742 -19.7509 -19.7495 -18.1457 -18.1451 -7.9226 -7.9223 -5.0427 -5.0416 -4.6493 -4.6493 -4.3241 -4.3223 -0.1454 -0.1454 0.5264 0.5314 1.7674 1.7747 5.2226 5.2226 9.1685 9.1687 9.6668 9.6689 12.5236 12.5279 k = 0.4912-0.1037 0.2992 ( 3454 PWs) bands (ev): -47.8985 -47.8985 -22.9403 -22.9402 -19.9472 -19.9404 -19.7791 -19.7733 -19.7506 -19.7492 -18.1466 -18.1460 -7.9107 -7.9104 -5.0616 -5.0606 -4.6455 -4.6455 -4.3137 -4.3120 -0.1508 -0.1508 0.5074 0.5121 1.7641 1.7710 5.2170 5.2170 9.1502 9.1503 9.6676 9.6695 12.5956 12.6000 k = 0.4918-0.0913 0.2940 ( 3454 PWs) bands (ev): -47.8985 -47.8985 -22.9415 -22.9414 -19.9462 -19.9397 -19.7778 -19.7723 -19.7504 -19.7488 -18.1474 -18.1469 -7.8992 -7.8989 -5.0798 -5.0789 -4.6418 -4.6418 -4.3037 -4.3021 -0.1560 -0.1560 0.4895 0.4939 1.7606 1.7671 5.2116 5.2116 9.1328 9.1329 9.6693 9.6711 12.6661 12.6704 k = 0.4924-0.0789 0.2888 ( 3450 PWs) bands (ev): -47.8985 -47.8985 -22.9426 -22.9425 -19.9451 -19.9390 -19.7765 -19.7715 -19.7501 -19.7485 -18.1482 -18.1477 -7.8881 -7.8879 -5.0973 -5.0965 -4.6383 -4.6382 -4.2941 -4.2927 -0.1610 -0.1610 0.4727 0.4768 1.7572 1.7632 5.2065 5.2065 9.1165 9.1166 9.6719 9.6735 12.7346 12.7389 k = 0.4931-0.0665 0.2835 ( 3447 PWs) bands (ev): -47.8985 -47.8985 -22.9437 -22.9436 -19.9442 -19.9384 -19.7752 -19.7707 -19.7498 -19.7482 -18.1489 -18.1484 -7.8775 -7.8773 -5.1140 -5.1133 -4.6349 -4.6349 -4.2851 -4.2838 -0.1657 -0.1657 0.4571 0.4609 1.7537 1.7594 5.2017 5.2018 9.1013 9.1014 9.6750 9.6765 12.8010 12.8051 k = 0.4937-0.0541 0.2783 ( 3446 PWs) bands (ev): -47.8985 -47.8985 -22.9446 -22.9446 -19.9432 -19.9379 -19.7740 -19.7699 -19.7495 -19.7479 -18.1496 -18.1492 -7.8675 -7.8673 -5.1297 -5.1291 -4.6318 -4.6318 -4.2766 -4.2754 -0.1701 -0.1701 0.4428 0.4463 1.7504 1.7556 5.1973 5.1973 9.0873 9.0873 9.6786 9.6799 12.8648 12.8688 k = 0.4943-0.0417 0.2731 ( 3448 PWs) bands (ev): -47.8985 -47.8985 -22.9456 -22.9455 -19.9424 -19.9375 -19.7730 -19.7693 -19.7492 -19.7477 -18.1502 -18.1498 -7.8582 -7.8580 -5.1444 -5.1438 -4.6289 -4.6289 -4.2688 -4.2677 -0.1741 -0.1741 0.4298 0.4329 1.7471 1.7519 5.1932 5.1932 9.0744 9.0745 9.6824 9.6836 12.9257 12.9294 k = 0.4950-0.0293 0.2679 ( 3446 PWs) bands (ev): -47.8985 -47.8985 -22.9464 -22.9463 -19.9415 -19.9372 -19.7719 -19.7687 -19.7490 -19.7475 -18.1508 -18.1504 -7.8496 -7.8494 -5.1578 -5.1573 -4.6263 -4.6263 -4.2616 -4.2606 -0.1779 -0.1778 0.4180 0.4209 1.7442 1.7484 5.1895 5.1895 9.0629 9.0629 9.6863 9.6873 12.9831 12.9866 k = 0.4956-0.0169 0.2626 ( 3445 PWs) bands (ev): -47.8985 -47.8985 -22.9471 -22.9471 -19.9408 -19.9369 -19.7710 -19.7682 -19.7487 -19.7474 -18.1513 -18.1510 -7.8418 -7.8416 -5.1699 -5.1694 -4.6239 -4.6239 -4.2552 -4.2543 -0.1812 -0.1812 0.4076 0.4101 1.7414 1.7452 5.1861 5.1861 9.0526 9.0526 9.6901 9.6910 13.0365 13.0397 k = 0.4962-0.0045 0.2574 ( 3451 PWs) bands (ev): -47.8985 -47.8985 -22.9478 -22.9477 -19.9401 -19.9367 -19.7701 -19.7678 -19.7485 -19.7473 -18.1518 -18.1515 -7.8349 -7.8347 -5.1806 -5.1802 -4.6218 -4.6218 -4.2495 -4.2488 -0.1841 -0.1841 0.3986 0.4007 1.7390 1.7422 5.1832 5.1832 9.0436 9.0437 9.6938 9.6945 13.0851 13.0880 k = 0.4968 0.0079 0.2522 ( 3453 PWs) bands (ev): -47.8985 -47.8985 -22.9483 -22.9483 -19.9394 -19.9366 -19.7694 -19.7674 -19.7483 -19.7473 -18.1521 -18.1519 -7.8289 -7.8288 -5.1898 -5.1895 -4.6201 -4.6200 -4.2446 -4.2440 -0.1867 -0.1867 0.3909 0.3927 1.7369 1.7396 5.1807 5.1807 9.0359 9.0360 9.6971 9.6977 13.1284 13.1309 k = 0.4975 0.0203 0.2470 ( 3455 PWs) bands (ev): -47.8985 -47.8985 -22.9488 -22.9488 -19.9388 -19.9366 -19.7687 -19.7672 -19.7481 -19.7472 -18.1524 -18.1522 -7.8240 -7.8239 -5.1975 -5.1972 -4.6186 -4.6186 -4.2406 -4.2401 -0.1888 -0.1888 0.3847 0.3861 1.7352 1.7374 5.1786 5.1786 9.0297 9.0297 9.6999 9.7004 13.1655 13.1675 k = 0.4981 0.0327 0.2417 ( 3451 PWs) bands (ev): -47.8985 -47.8985 -22.9492 -22.9491 -19.9383 -19.9366 -19.7681 -19.7670 -19.7479 -19.7472 -18.1527 -18.1525 -7.8201 -7.8200 -5.2035 -5.2033 -4.6174 -4.6174 -4.2374 -4.2370 -0.1904 -0.1904 0.3798 0.3809 1.7339 1.7355 5.1770 5.1770 9.0248 9.0248 9.7023 9.7026 13.1955 13.1971 k = 0.4987 0.0451 0.2365 ( 3447 PWs) bands (ev): -47.8985 -47.8985 -22.9494 -22.9494 -19.9378 -19.9366 -19.7677 -19.7669 -19.7477 -19.7473 -18.1528 -18.1527 -7.8172 -7.8172 -5.2078 -5.2076 -4.6166 -4.6166 -4.2351 -4.2348 -0.1916 -0.1916 0.3764 0.3772 1.7330 1.7341 5.1758 5.1758 9.0213 9.0213 9.7040 9.7042 13.2177 13.2188 k = 0.4994 0.0575 0.2313 ( 3453 PWs) bands (ev): -47.8985 -47.8985 -22.9496 -22.9496 -19.9374 -19.9369 -19.7674 -19.7670 -19.7476 -19.7474 -18.1529 -18.1529 -7.8155 -7.8155 -5.2104 -5.2103 -4.6161 -4.6161 -4.2337 -4.2335 -0.1923 -0.1923 0.3745 0.3748 1.7326 1.7331 5.1751 5.1751 9.0192 9.0192 9.7051 9.7052 13.2314 13.2319 k = 0.5000 0.0699 0.2261 ( 3452 PWs) bands (ev): -47.8985 -47.8985 -22.9496 -22.9496 -19.9371 -19.9371 -19.7671 -19.7671 -19.7475 -19.7475 -18.1529 -18.1529 -7.8149 -7.8149 -5.2112 -5.2112 -4.6159 -4.6159 -4.2331 -4.2331 -0.1925 -0.1925 0.3739 0.3739 1.7326 1.7326 5.1749 5.1749 9.0185 9.0185 9.7055 9.7055 13.2362 13.2362 k = 0.5000 0.0699 0.2261 ( 3452 PWs) bands (ev): -47.8985 -47.8985 -22.9496 -22.9496 -19.9371 -19.9371 -19.7671 -19.7671 -19.7475 -19.7475 -18.1529 -18.1529 -7.8149 -7.8149 -5.2112 -5.2112 -4.6159 -4.6159 -4.2331 -4.2331 -0.1925 -0.1925 0.3739 0.3739 1.7326 1.7326 5.1749 5.1749 9.0185 9.0185 9.7055 9.7055 13.2362 13.2362 k = 0.4942 0.0749 0.2374 ( 3454 PWs) bands (ev): -47.8985 -47.8985 -22.9496 -22.9496 -19.9373 -19.9370 -19.7673 -19.7670 -19.7478 -19.7472 -18.1529 -18.1528 -7.8149 -7.8149 -5.2112 -5.2110 -4.6165 -4.6163 -4.2333 -4.2332 -0.1933 -0.1930 0.3741 0.3743 1.7328 1.7328 5.1741 5.1743 9.0201 9.0202 9.7070 9.7071 13.2368 13.2371 k = 0.4884 0.0800 0.2486 ( 3458 PWs) bands (ev): -47.8985 -47.8985 -22.9494 -22.9494 -19.9376 -19.9369 -19.7676 -19.7670 -19.7481 -19.7471 -18.1526 -18.1525 -7.8147 -7.8147 -5.2109 -5.2106 -4.6182 -4.6177 -4.2338 -4.2336 -0.1954 -0.1949 0.3748 0.3753 1.7334 1.7335 5.1720 5.1724 9.0249 9.0251 9.7118 9.7120 13.2390 13.2395 k = 0.4826 0.0851 0.2599 ( 3456 PWs) bands (ev): -47.8985 -47.8985 -22.9492 -22.9492 -19.9379 -19.9368 -19.7679 -19.7670 -19.7485 -19.7469 -18.1522 -18.1521 -7.8144 -7.8144 -5.2104 -5.2101 -4.6209 -4.6201 -4.2344 -4.2342 -0.1988 -0.1980 0.3762 0.3769 1.7343 1.7345 5.1686 5.1691 9.0329 9.0333 9.7198 9.7201 13.2426 13.2433 k = 0.4767 0.0901 0.2712 ( 3462 PWs) bands (ev): -47.8985 -47.8985 -22.9489 -22.9489 -19.9383 -19.9369 -19.7683 -19.7670 -19.7489 -19.7469 -18.1517 -18.1515 -7.8140 -7.8140 -5.2098 -5.2093 -4.6245 -4.6236 -4.2354 -4.2351 -0.2035 -0.2024 0.3780 0.3790 1.7357 1.7359 5.1638 5.1645 9.0441 9.0447 9.7309 9.7313 13.2477 13.2486 k = 0.4709 0.0952 0.2825 ( 3464 PWs) bands (ev): -47.8985 -47.8985 -22.9485 -22.9485 -19.9387 -19.9369 -19.7688 -19.7672 -19.7494 -19.7468 -18.1509 -18.1507 -7.8135 -7.8134 -5.2090 -5.2083 -4.6292 -4.6279 -4.2366 -4.2362 -0.2094 -0.2080 0.3805 0.3817 1.7374 1.7376 5.1577 5.1586 9.0585 9.0592 9.7452 9.7457 13.2541 13.2553 k = 0.4651 0.1002 0.2938 ( 3462 PWs) bands (ev): -47.8985 -47.8985 -22.9481 -22.9481 -19.9391 -19.9370 -19.7694 -19.7674 -19.7498 -19.7468 -18.1500 -18.1497 -7.8129 -7.8128 -5.2079 -5.2071 -4.6346 -4.6332 -4.2381 -4.2376 -0.2164 -0.2149 0.3834 0.3849 1.7395 1.7398 5.1504 5.1515 9.0760 9.0768 9.7626 9.7632 13.2617 13.2632 k = 0.4593 0.1053 0.3051 ( 3466 PWs) bands (ev): -47.8985 -47.8985 -22.9475 -22.9475 -19.9396 -19.9372 -19.7700 -19.7677 -19.7503 -19.7469 -18.1490 -18.1486 -7.8121 -7.8121 -5.2068 -5.2059 -4.6410 -4.6392 -4.2398 -4.2392 -0.2246 -0.2228 0.3869 0.3885 1.7419 1.7422 5.1419 5.1432 9.0965 9.0974 9.7831 9.7837 13.2705 13.2723 k = 0.4535 0.1103 0.3164 ( 3468 PWs) bands (ev): -47.8985 -47.8985 -22.9469 -22.9469 -19.9402 -19.9375 -19.7707 -19.7681 -19.7507 -19.7470 -18.1478 -18.1474 -7.8113 -7.8112 -5.2055 -5.2044 -4.6480 -4.6461 -4.2417 -4.2411 -0.2338 -0.2319 0.3908 0.3925 1.7447 1.7450 5.1322 5.1337 9.1200 9.1211 9.8065 9.8073 13.2803 13.2823 k = 0.4477 0.1154 0.3277 ( 3476 PWs) bands (ev): -47.8985 -47.8985 -22.9462 -22.9462 -19.9408 -19.9378 -19.7715 -19.7686 -19.7512 -19.7472 -18.1464 -18.1460 -7.8104 -7.8103 -5.2042 -5.2030 -4.6558 -4.6536 -4.2440 -4.2433 -0.2441 -0.2420 0.3951 0.3970 1.7477 1.7481 5.1215 5.1232 9.1464 9.1475 9.8329 9.8337 13.2908 13.2930 k = 0.4419 0.1205 0.3390 ( 3478 PWs) bands (ev): -47.8984 -47.8984 -22.9454 -22.9454 -19.9415 -19.9381 -19.7723 -19.7692 -19.7516 -19.7473 -18.1450 -18.1445 -7.8093 -7.8092 -5.2028 -5.2014 -4.6642 -4.6617 -4.2465 -4.2457 -0.2552 -0.2530 0.3998 0.4018 1.7511 1.7516 5.1098 5.1116 9.1756 9.1768 9.8621 9.8630 13.3016 13.3042 k = 0.4360 0.1255 0.3503 ( 3474 PWs) bands (ev): -47.8984 -47.8984 -22.9446 -22.9446 -19.9421 -19.9385 -19.7732 -19.7698 -19.7520 -19.7475 -18.1434 -18.1428 -7.8082 -7.8081 -5.2014 -5.1999 -4.6730 -4.6703 -4.2492 -4.2483 -0.2672 -0.2648 0.4049 0.4070 1.7548 1.7552 5.0971 5.0991 9.2074 9.2088 9.8940 9.8950 13.3125 13.3153 k = 0.4302 0.1306 0.3616 ( 3470 PWs) bands (ev): -47.8984 -47.8984 -22.9437 -22.9437 -19.9428 -19.9389 -19.7742 -19.7705 -19.7524 -19.7477 -18.1416 -18.1411 -7.8070 -7.8069 -5.2000 -5.1983 -4.6822 -4.6793 -4.2522 -4.2512 -0.2799 -0.2774 0.4103 0.4125 1.7587 1.7592 5.0836 5.0858 9.2419 9.2433 9.9286 9.9297 13.3228 13.3259 k = 0.4244 0.1356 0.3729 ( 3462 PWs) bands (ev): -47.8983 -47.8983 -22.9427 -22.9427 -19.9435 -19.9393 -19.7752 -19.7712 -19.7527 -19.7479 -18.1398 -18.1392 -7.8057 -7.8056 -5.1987 -5.1969 -4.6917 -4.6885 -4.2554 -4.2544 -0.2934 -0.2908 0.4159 0.4182 1.7628 1.7634 5.0693 5.0716 9.2788 9.2804 9.9658 9.9670 13.3317 13.3351 k = 0.4186 0.1407 0.3842 ( 3458 PWs) bands (ev): -47.8983 -47.8983 -22.9417 -22.9417 -19.9443 -19.9398 -19.7763 -19.7720 -19.7530 -19.7481 -18.1379 -18.1372 -7.8043 -7.8042 -5.1976 -5.1955 -4.7014 -4.6980 -4.2588 -4.2578 -0.3074 -0.3047 0.4218 0.4242 1.7671 1.7677 5.0543 5.0568 9.3182 9.3198 10.0054 10.0066 13.3381 13.3416 k = 0.4128 0.1457 0.3955 ( 3464 PWs) bands (ev): -47.8983 -47.8983 -22.9406 -22.9406 -19.9451 -19.9404 -19.7775 -19.7729 -19.7532 -19.7484 -18.1359 -18.1352 -7.8029 -7.8028 -5.1967 -5.1944 -4.7111 -4.7074 -4.2625 -4.2614 -0.3220 -0.3193 0.4279 0.4303 1.7716 1.7722 5.0387 5.0413 9.3597 9.3614 10.0472 10.0485 13.3401 13.3438 k = 0.4070 0.1508 0.4068 ( 3468 PWs) bands (ev): -47.8983 -47.8983 -22.9395 -22.9395 -19.9460 -19.9410 -19.7787 -19.7739 -19.7535 -19.7486 -18.1338 -18.1331 -7.8015 -7.8013 -5.1960 -5.1936 -4.7207 -4.7168 -4.2665 -4.2653 -0.3370 -0.3342 0.4341 0.4365 1.7763 1.7769 5.0226 5.0254 9.4035 9.4052 10.0912 10.0926 13.3354 13.3391 k = 0.4012 0.1559 0.4181 ( 3472 PWs) bands (ev): -47.8982 -47.8982 -22.9384 -22.9384 -19.9469 -19.9417 -19.7800 -19.7749 -19.7537 -19.7489 -18.1316 -18.1309 -7.7999 -7.7998 -5.1956 -5.1931 -4.7301 -4.7260 -4.2706 -4.2694 -0.3523 -0.3496 0.4404 0.4428 1.7810 1.7816 5.0061 5.0090 9.4492 9.4510 10.1372 10.1386 13.3211 13.3247 k = 0.3953 0.1609 0.4294 ( 3472 PWs) bands (ev): -47.8982 -47.8982 -22.9372 -22.9372 -19.9478 -19.9424 -19.7814 -19.7759 -19.7539 -19.7491 -18.1294 -18.1287 -7.7984 -7.7982 -5.1956 -5.1929 -4.7391 -4.7348 -4.2750 -4.2737 -0.3679 -0.3651 0.4469 0.4493 1.7858 1.7865 4.9892 4.9923 9.4969 9.4988 10.1850 10.1865 13.2945 13.2976 k = 0.3895 0.1660 0.4407 ( 3472 PWs) bands (ev): -47.8982 -47.8982 -22.9361 -22.9361 -19.9487 -19.9431 -19.7827 -19.7769 -19.7541 -19.7494 -18.1272 -18.1264 -7.7968 -7.7966 -5.1961 -5.1932 -4.7477 -4.7431 -4.2796 -4.2782 -0.3837 -0.3809 0.4534 0.4557 1.7907 1.7914 4.9722 4.9753 9.5464 9.5484 10.2344 10.2360 13.2542 13.2567 k = 0.3837 0.1710 0.4520 ( 3474 PWs) bands (ev): -47.8982 -47.8982 -22.9349 -22.9349 -19.9496 -19.9438 -19.7841 -19.7780 -19.7542 -19.7496 -18.1249 -18.1242 -7.7952 -7.7950 -5.1970 -5.1940 -4.7557 -4.7509 -4.2843 -4.2829 -0.3996 -0.3968 0.4599 0.4622 1.7957 1.7963 4.9550 4.9582 9.5976 9.5996 10.2853 10.2869 13.2014 13.2031 k = 0.3779 0.1761 0.4633 ( 3470 PWs) bands (ev): -47.8981 -47.8981 -22.9336 -22.9336 -19.9505 -19.9445 -19.7854 -19.7791 -19.7543 -19.7499 -18.1226 -18.1219 -7.7936 -7.7934 -5.1984 -5.1953 -4.7629 -4.7580 -4.2893 -4.2878 -0.4155 -0.4127 0.4663 0.4687 1.8006 1.8013 4.9377 4.9411 9.6505 9.6525 10.3374 10.3392 13.1384 13.1395 k = 0.3721 0.1812 0.4746 ( 3466 PWs) bands (ev): -47.8981 -47.8981 -22.9324 -22.9324 -19.9514 -19.9453 -19.7867 -19.7801 -19.7544 -19.7501 -18.1203 -18.1195 -7.7919 -7.7917 -5.2004 -5.1972 -4.7694 -4.7643 -4.2944 -4.2929 -0.4314 -0.4286 0.4728 0.4750 1.8055 1.8062 4.9205 4.9240 9.7048 9.7068 10.3906 10.3924 13.0680 13.0686 k = 0.3663 0.1862 0.4859 ( 3468 PWs) bands (ev): -47.8980 -47.8980 -22.9312 -22.9312 -19.9523 -19.9461 -19.7881 -19.7812 -19.7545 -19.7503 -18.1181 -18.1173 -7.7903 -7.7901 -5.2030 -5.1996 -4.7750 -4.7698 -4.2997 -4.2981 -0.4470 -0.4443 0.4791 0.4813 1.8104 1.8111 4.9035 4.9071 9.7605 9.7626 10.4446 10.4465 12.9924 12.9926 k = 0.3605 0.1913 0.4972 ( 3466 PWs) bands (ev): -47.8980 -47.8980 -22.9300 -22.9300 -19.9532 -19.9469 -19.7894 -19.7823 -19.7546 -19.7505 -18.1158 -18.1150 -7.7887 -7.7885 -5.2061 -5.2027 -4.7798 -4.7745 -4.3051 -4.3034 -0.4625 -0.4598 0.4854 0.4875 1.8152 1.8159 4.8867 4.8903 9.8175 9.8196 10.4992 10.5011 12.9131 12.9133 k = 0.3547 0.1963 0.5085 ( 3468 PWs) bands (ev): -47.8980 -47.8980 -22.9288 -22.9288 -19.9542 -19.9477 -19.7907 -19.7834 -19.7546 -19.7507 -18.1136 -18.1128 -7.7871 -7.7869 -5.2097 -5.2062 -4.7836 -4.7783 -4.3105 -4.3089 -0.4777 -0.4750 0.4915 0.4935 1.8199 1.8206 4.8701 4.8739 9.8757 9.8779 10.5541 10.5562 12.8313 12.8317 k = 0.3488 0.2014 0.5198 ( 3472 PWs) bands (ev): -47.8980 -47.8980 -22.9276 -22.9276 -19.9551 -19.9486 -19.7920 -19.7844 -19.7547 -19.7509 -18.1114 -18.1106 -7.7856 -7.7853 -5.2138 -5.2103 -4.7866 -4.7812 -4.3161 -4.3144 -0.4925 -0.4898 0.4974 0.4994 1.8245 1.8251 4.8539 4.8578 9.9350 9.9372 10.6091 10.6113 12.7479 12.7486 k = 0.3430 0.2064 0.5310 ( 3472 PWs) bands (ev): -47.8979 -47.8979 -22.9265 -22.9265 -19.9560 -19.9494 -19.7933 -19.7854 -19.7547 -19.7511 -18.1093 -18.1085 -7.7840 -7.7838 -5.2183 -5.2148 -4.7886 -4.7832 -4.3217 -4.3200 -0.5068 -0.5042 0.5032 0.5051 1.8290 1.8296 4.8383 4.8422 9.9952 9.9975 10.6639 10.6662 12.6636 12.6644 k = 0.3372 0.2115 0.5423 ( 3474 PWs) bands (ev): -47.8979 -47.8979 -22.9254 -22.9254 -19.9568 -19.9502 -19.7945 -19.7864 -19.7547 -19.7513 -18.1072 -18.1064 -7.7826 -7.7823 -5.2232 -5.2197 -4.7898 -4.7845 -4.3274 -4.3256 -0.5207 -0.5181 0.5087 0.5105 1.8333 1.8339 4.8231 4.8272 10.0563 10.0586 10.7183 10.7207 12.5787 12.5797 k = 0.3314 0.2166 0.5536 ( 3474 PWs) bands (ev): -47.8979 -47.8979 -22.9243 -22.9243 -19.9577 -19.9509 -19.7956 -19.7874 -19.7547 -19.7515 -18.1053 -18.1044 -7.7811 -7.7809 -5.2284 -5.2249 -4.7903 -4.7850 -4.3330 -4.3312 -0.5339 -0.5314 0.5140 0.5158 1.8374 1.8379 4.8086 4.8127 10.1181 10.1204 10.7720 10.7745 12.4938 12.4948 k = 0.3256 0.2216 0.5649 ( 3476 PWs) bands (ev): -47.8978 -47.8978 -22.9233 -22.9233 -19.9585 -19.9517 -19.7967 -19.7883 -19.7547 -19.7516 -18.1034 -18.1025 -7.7798 -7.7795 -5.2337 -5.2303 -4.7901 -4.7848 -4.3385 -4.3367 -0.5466 -0.5440 0.5190 0.5207 1.8413 1.8418 4.7948 4.7990 10.1804 10.1828 10.8247 10.8274 12.4090 12.4100 k = 0.3198 0.2267 0.5762 ( 3468 PWs) bands (ev): -47.8978 -47.8978 -22.9223 -22.9223 -19.9592 -19.9524 -19.7976 -19.7891 -19.7547 -19.7517 -18.1016 -18.1008 -7.7785 -7.7782 -5.2391 -5.2357 -4.7892 -4.7841 -4.3439 -4.3422 -0.5585 -0.5560 0.5238 0.5254 1.8450 1.8455 4.7818 4.7860 10.2432 10.2456 10.8762 10.8790 12.3246 12.3257 k = 0.3140 0.2317 0.5875 ( 3474 PWs) bands (ev): -47.8978 -47.8978 -22.9214 -22.9214 -19.9599 -19.9531 -19.7986 -19.7899 -19.7547 -19.7519 -18.0999 -18.0991 -7.7773 -7.7770 -5.2445 -5.2412 -4.7879 -4.7829 -4.3493 -4.3475 -0.5697 -0.5672 0.5282 0.5297 1.8485 1.8489 4.7695 4.7738 10.3060 10.3085 10.9262 10.9290 12.2410 12.2421 k = 0.3081 0.2368 0.5988 ( 3472 PWs) bands (ev): -47.8978 -47.8978 -22.9206 -22.9206 -19.9606 -19.9538 -19.7995 -19.7906 -19.7547 -19.7520 -18.0983 -18.0975 -7.7761 -7.7759 -5.2497 -5.2465 -4.7863 -4.7813 -4.3543 -4.3526 -0.5801 -0.5776 0.5324 0.5338 1.8517 1.8521 4.7582 4.7625 10.3687 10.3713 10.9744 10.9774 12.1583 12.1595 k = 0.3023 0.2418 0.6101 ( 3468 PWs) bands (ev): -47.8977 -47.8977 -22.9198 -22.9198 -19.9612 -19.9544 -19.8002 -19.7913 -19.7547 -19.7521 -18.0969 -18.0961 -7.7751 -7.7748 -5.2548 -5.2517 -4.7843 -4.7795 -4.3592 -4.3574 -0.5896 -0.5872 0.5362 0.5375 1.8547 1.8551 4.7477 4.7521 10.4309 10.4335 11.0206 11.0237 12.0770 12.0781 k = 0.2965 0.2469 0.6214 ( 3470 PWs) bands (ev): -47.8977 -47.8977 -22.9191 -22.9191 -19.9618 -19.9549 -19.8010 -19.7919 -19.7547 -19.7522 -18.0956 -18.0948 -7.7741 -7.7739 -5.2596 -5.2565 -4.7822 -4.7775 -4.3637 -4.3620 -0.5982 -0.5958 0.5396 0.5408 1.8573 1.8577 4.7382 4.7427 10.4921 10.4947 11.0646 11.0680 11.9972 11.9983 k = 0.2907 0.2520 0.6327 ( 3464 PWs) bands (ev): -47.8977 -47.8977 -22.9184 -22.9184 -19.9622 -19.9554 -19.8016 -19.7924 -19.7546 -19.7523 -18.0944 -18.0936 -7.7733 -7.7730 -5.2640 -5.2610 -4.7800 -4.7755 -4.3679 -4.3662 -0.6059 -0.6036 0.5427 0.5438 1.8598 1.8601 4.7298 4.7343 10.5516 10.5543 11.1065 11.1100 11.9195 11.9204 k = 0.2849 0.2570 0.6440 ( 3466 PWs) bands (ev): -47.8977 -47.8977 -22.9179 -22.9179 -19.9627 -19.9559 -19.8021 -19.7929 -19.7546 -19.7524 -18.0934 -18.0926 -7.7725 -7.7722 -5.2680 -5.2651 -4.7779 -4.7735 -4.3716 -4.3699 -0.6127 -0.6104 0.5454 0.5464 1.8618 1.8621 4.7224 4.7269 10.6086 10.6114 11.1460 11.1498 11.8443 11.8452 k = 0.2791 0.2621 0.6553 ( 3468 PWs) bands (ev): -47.8977 -47.8977 -22.9174 -22.9174 -19.9631 -19.9562 -19.8026 -19.7933 -19.7546 -19.7525 -18.0925 -18.0917 -7.7719 -7.7716 -5.2715 -5.2686 -4.7760 -4.7717 -4.3749 -4.3733 -0.6184 -0.6161 0.5476 0.5487 1.8636 1.8639 4.7161 4.7206 10.6618 10.6647 11.1835 11.1876 11.7723 11.7731 k = 0.2733 0.2671 0.6666 ( 3470 PWs) bands (ev): -47.8977 -47.8977 -22.9170 -22.9170 -19.9634 -19.9566 -19.8030 -19.7937 -19.7546 -19.7526 -18.0918 -18.0910 -7.7714 -7.7711 -5.2744 -5.2715 -4.7742 -4.7700 -4.3777 -4.3761 -0.6232 -0.6209 0.5495 0.5505 1.8651 1.8653 4.7108 4.7154 10.7097 10.7127 11.2190 11.2234 11.7046 11.7054 k = 0.2674 0.2722 0.6779 ( 3464 PWs) bands (ev): -47.8976 -47.8976 -22.9167 -22.9167 -19.9636 -19.9568 -19.8033 -19.7939 -19.7546 -19.7526 -18.0912 -18.0904 -7.7710 -7.7707 -5.2767 -5.2739 -4.7728 -4.7687 -4.3799 -4.3783 -0.6269 -0.6246 0.5510 0.5519 1.8663 1.8664 4.7068 4.7113 10.7505 10.7536 11.2524 11.2574 11.6427 11.6438 k = 0.2616 0.2773 0.6892 ( 3462 PWs) bands (ev): -47.8976 -47.8976 -22.9165 -22.9165 -19.9638 -19.9570 -19.8035 -19.7941 -19.7546 -19.7527 -18.0908 -18.0900 -7.7707 -7.7704 -5.2783 -5.2756 -4.7717 -4.7677 -4.3815 -4.3799 -0.6295 -0.6273 0.5521 0.5530 1.8671 1.8672 4.7038 4.7084 10.7820 10.7850 11.2828 11.2885 11.5895 11.5912 k = 0.2558 0.2823 0.7005 ( 3466 PWs) bands (ev): -47.8976 -47.8976 -22.9163 -22.9163 -19.9639 -19.9571 -19.8037 -19.7942 -19.7546 -19.7527 -18.0906 -18.0898 -7.7705 -7.7702 -5.2793 -5.2766 -4.7710 -4.7671 -4.3824 -4.3809 -0.6312 -0.6289 0.5527 0.5536 1.8676 1.8677 4.7020 4.7066 10.8019 10.8050 11.3064 11.3131 11.5506 11.5532 k = 0.2500 0.2874 0.7118 ( 3472 PWs) bands (ev): -47.8976 -47.8976 -22.9163 -22.9163 -19.9640 -19.9572 -19.8038 -19.7943 -19.7546 -19.7527 -18.0905 -18.0897 -7.7704 -7.7701 -5.2797 -5.2770 -4.7708 -4.7669 -4.3828 -4.3812 -0.6317 -0.6295 0.5529 0.5538 1.8678 1.8679 4.7014 4.7060 10.8087 10.8119 11.3160 11.3232 11.5356 11.5387 k = 0.3303-0.2874 0.7118 ( 3462 PWs) bands (ev): -47.8979 -47.8979 -22.9120 -22.9118 -19.9573 -19.9547 -19.7907 -19.7890 -19.7616 -19.7576 -18.1218 -18.1218 -8.0272 -8.0267 -5.0211 -5.0180 -4.7063 -4.7055 -4.4622 -4.4582 -0.3329 -0.3306 1.0108 1.0139 1.7412 1.7438 4.8791 4.8804 10.5477 10.5498 10.8530 10.8558 11.3233 11.3243 k = 0.3361-0.2924 0.7005 ( 3460 PWs) bands (ev): -47.8979 -47.8979 -22.9119 -22.9117 -19.9578 -19.9552 -19.7914 -19.7896 -19.7615 -19.7576 -18.1222 -18.1221 -8.0350 -8.0344 -5.0051 -5.0021 -4.7044 -4.7036 -4.4664 -4.4625 -0.3160 -0.3138 1.0161 1.0192 1.7406 1.7433 4.9054 4.9067 10.5329 10.5349 10.7898 10.7924 11.3010 11.3020 k = 0.3419-0.2975 0.6892 ( 3456 PWs) bands (ev): -47.8979 -47.8979 -22.9119 -22.9117 -19.9583 -19.9558 -19.7921 -19.7902 -19.7613 -19.7575 -18.1225 -18.1224 -8.0426 -8.0421 -4.9889 -4.9859 -4.7026 -4.7018 -4.4706 -4.4668 -0.2990 -0.2968 1.0211 1.0243 1.7399 1.7427 4.9319 4.9331 10.5130 10.5148 10.7281 10.7305 11.2793 11.2803 k = 0.3477-0.3025 0.6780 ( 3454 PWs) bands (ev): -47.8979 -47.8979 -22.9118 -22.9117 -19.9588 -19.9563 -19.7927 -19.7908 -19.7611 -19.7574 -18.1228 -18.1227 -8.0501 -8.0496 -4.9724 -4.9695 -4.7010 -4.7001 -4.4748 -4.4711 -0.2819 -0.2797 1.0259 1.0292 1.7390 1.7420 4.9585 4.9597 10.4875 10.4890 10.6690 10.6711 11.2580 11.2590 k = 0.3535-0.3076 0.6667 ( 3456 PWs) bands (ev): -47.8980 -47.8980 -22.9119 -22.9117 -19.9594 -19.9569 -19.7934 -19.7915 -19.7609 -19.7574 -18.1230 -18.1229 -8.0575 -8.0569 -4.9557 -4.9530 -4.6994 -4.6985 -4.4790 -4.4753 -0.2648 -0.2626 1.0305 1.0338 1.7381 1.7411 4.9850 4.9862 10.4557 10.4569 10.6140 10.6157 11.2372 11.2383 k = 0.3593-0.3126 0.6554 ( 3458 PWs) bands (ev): -47.8980 -47.8980 -22.9119 -22.9118 -19.9599 -19.9575 -19.7941 -19.7921 -19.7607 -19.7573 -18.1233 -18.1231 -8.0646 -8.0641 -4.9390 -4.9363 -4.6980 -4.6970 -4.4831 -4.4796 -0.2478 -0.2456 1.0348 1.0381 1.7370 1.7402 5.0115 5.0126 10.4168 10.4177 10.5646 10.5660 11.2167 11.2179 k = 0.3651-0.3177 0.6441 ( 3455 PWs) bands (ev): -47.8980 -47.8980 -22.9120 -22.9118 -19.9604 -19.9581 -19.7947 -19.7927 -19.7605 -19.7572 -18.1235 -18.1233 -8.0716 -8.0711 -4.9224 -4.9198 -4.6966 -4.6956 -4.4872 -4.4837 -0.2309 -0.2288 1.0389 1.0423 1.7359 1.7391 5.0377 5.0388 10.3706 10.3714 10.5213 10.5226 11.1961 11.1976 k = 0.3709-0.3227 0.6329 ( 3453 PWs) bands (ev): -47.8980 -47.8980 -22.9121 -22.9119 -19.9610 -19.9586 -19.7953 -19.7932 -19.7603 -19.7571 -18.1236 -18.1235 -8.0784 -8.0779 -4.9058 -4.9033 -4.6954 -4.6943 -4.4911 -4.4877 -0.2142 -0.2122 1.0427 1.0461 1.7347 1.7380 5.0636 5.0646 10.3187 10.3197 10.4834 10.4848 11.1748 11.1768 k = 0.3768-0.3278 0.6216 ( 3455 PWs) bands (ev): -47.8981 -47.8981 -22.9122 -22.9120 -19.9615 -19.9592 -19.7959 -19.7938 -19.7600 -19.7570 -18.1238 -18.1236 -8.0849 -8.0845 -4.8895 -4.8871 -4.6943 -4.6931 -4.4950 -4.4917 -0.1979 -0.1959 1.0463 1.0498 1.7334 1.7369 5.0890 5.0899 10.2636 10.2647 10.4494 10.4509 11.1518 11.1546 k = 0.3826-0.3328 0.6103 ( 3448 PWs) bands (ev): -47.8981 -47.8981 -22.9123 -22.9122 -19.9620 -19.9597 -19.7965 -19.7943 -19.7597 -19.7569 -18.1239 -18.1238 -8.0912 -8.0908 -4.8734 -4.8711 -4.6932 -4.6920 -4.4988 -4.4955 -0.1820 -0.1800 1.0497 1.0532 1.7322 1.7357 5.1138 5.1147 10.2072 10.2082 10.4181 10.4197 11.1257 11.1293 k = 0.3884-0.3379 0.5990 ( 3444 PWs) bands (ev): -47.8981 -47.8981 -22.9124 -22.9123 -19.9625 -19.9602 -19.7970 -19.7948 -19.7594 -19.7567 -18.1240 -18.1239 -8.0972 -8.0968 -4.8578 -4.8556 -4.6922 -4.6910 -4.5024 -4.4992 -0.1665 -0.1646 1.0529 1.0564 1.7309 1.7345 5.1379 5.1387 10.1508 10.1519 10.3888 10.3904 11.0955 11.0995 k = 0.3942-0.3429 0.5877 ( 3436 PWs) bands (ev): -47.8981 -47.8981 -22.9125 -22.9124 -19.9630 -19.9606 -19.7975 -19.7953 -19.7591 -19.7566 -18.1241 -18.1239 -8.1029 -8.1025 -4.8427 -4.8405 -4.6913 -4.6900 -4.5058 -4.5028 -0.1516 -0.1498 1.0558 1.0593 1.7296 1.7333 5.1612 5.1619 10.0955 10.0965 10.3611 10.3627 11.0618 11.0658 k = 0.4000-0.3480 0.5765 ( 3434 PWs) bands (ev): -47.8982 -47.8982 -22.9127 -22.9126 -19.9634 -19.9611 -19.7980 -19.7957 -19.7589 -19.7565 -18.1242 -18.1240 -8.1083 -8.1079 -4.8281 -4.8261 -4.6905 -4.6892 -4.5091 -4.5062 -0.1373 -0.1356 1.0585 1.0620 1.7283 1.7322 5.1834 5.1842 10.0420 10.0429 10.3347 10.3364 11.0266 11.0304 k = 0.4058-0.3530 0.5652 ( 3433 PWs) bands (ev): -47.8982 -47.8982 -22.9128 -22.9127 -19.9639 -19.9616 -19.7984 -19.7961 -19.7586 -19.7564 -18.1242 -18.1241 -8.1134 -8.1130 -4.8143 -4.8123 -4.6898 -4.6884 -4.5122 -4.5094 -0.1237 -0.1221 1.0609 1.0645 1.7271 1.7310 5.2047 5.2053 9.9907 9.9917 10.3099 10.3115 10.9916 10.9952 k = 0.4116-0.3581 0.5539 ( 3441 PWs) bands (ev): -47.8982 -47.8982 -22.9130 -22.9129 -19.9644 -19.9621 -19.7989 -19.7966 -19.7584 -19.7563 -18.1243 -18.1241 -8.1181 -8.1178 -4.8011 -4.7993 -4.6892 -4.6878 -4.5152 -4.5124 -0.1109 -0.1094 1.0631 1.0667 1.7259 1.7298 5.2247 5.2253 9.9423 9.9432 10.2865 10.2882 10.9580 10.9613 k = 0.4174-0.3631 0.5426 ( 3441 PWs) bands (ev): -47.8982 -47.8982 -22.9131 -22.9130 -19.9648 -19.9625 -19.7993 -19.7969 -19.7581 -19.7562 -18.1243 -18.1242 -8.1225 -8.1221 -4.7888 -4.7871 -4.6886 -4.6872 -4.5179 -4.5153 -0.0989 -0.0976 1.0651 1.0687 1.7247 1.7287 5.2434 5.2439 9.8970 9.8978 10.2647 10.2664 10.9264 10.9295 k = 0.4232-0.3682 0.5314 ( 3439 PWs) bands (ev): -47.8982 -47.8982 -22.9132 -22.9131 -19.9652 -19.9628 -19.7997 -19.7973 -19.7579 -19.7562 -18.1244 -18.1242 -8.1264 -8.1261 -4.7774 -4.7758 -4.6881 -4.6866 -4.5204 -4.5179 -0.0879 -0.0866 1.0670 1.0705 1.7236 1.7277 5.2607 5.2612 9.8551 9.8558 10.2446 10.2463 10.8971 10.9001 k = 0.4290-0.3732 0.5201 ( 3440 PWs) bands (ev): -47.8983 -47.8983 -22.9134 -22.9133 -19.9655 -19.9632 -19.8000 -19.7976 -19.7576 -19.7561 -18.1244 -18.1242 -8.1300 -8.1298 -4.7670 -4.7655 -4.6876 -4.6862 -4.5227 -4.5202 -0.0779 -0.0767 1.0686 1.0721 1.7226 1.7268 5.2765 5.2769 9.8169 9.8176 10.2263 10.2280 10.8705 10.8734 k = 0.4348-0.3783 0.5088 ( 3435 PWs) bands (ev): -47.8983 -47.8983 -22.9135 -22.9134 -19.9658 -19.9635 -19.8003 -19.7978 -19.7574 -19.7561 -18.1244 -18.1242 -8.1332 -8.1330 -4.7576 -4.7563 -4.6872 -4.6858 -4.5247 -4.5224 -0.0688 -0.0678 1.0700 1.0736 1.7218 1.7260 5.2907 5.2911 9.7827 9.7834 10.2099 10.2117 10.8467 10.8496 k = 0.4406-0.3833 0.4975 ( 3437 PWs) bands (ev): -47.8983 -47.8983 -22.9136 -22.9135 -19.9661 -19.9637 -19.8005 -19.7981 -19.7572 -19.7560 -18.1244 -18.1243 -8.1360 -8.1358 -4.7493 -4.7481 -4.6869 -4.6854 -4.5265 -4.5243 -0.0609 -0.0600 1.0711 1.0747 1.7209 1.7252 5.3032 5.3035 9.7526 9.7533 10.1955 10.1973 10.8259 10.8287 k = 0.4464-0.3883 0.4863 ( 3431 PWs) bands (ev): -47.8983 -47.8983 -22.9137 -22.9136 -19.9664 -19.9639 -19.8007 -19.7982 -19.7569 -19.7560 -18.1245 -18.1243 -8.1384 -8.1382 -4.7421 -4.7412 -4.6866 -4.6852 -4.5280 -4.5259 -0.0540 -0.0533 1.0722 1.0758 1.7203 1.7245 5.3140 5.3142 9.7269 9.7275 10.1831 10.1850 10.8082 10.8109 k = 0.4522-0.3934 0.4750 ( 3433 PWs) bands (ev): -47.8983 -47.8983 -22.9137 -22.9137 -19.9666 -19.9641 -19.8009 -19.7984 -19.7568 -19.7560 -18.1245 -18.1243 -8.1404 -8.1402 -4.7362 -4.7354 -4.6864 -4.6850 -4.5293 -4.5273 -0.0484 -0.0478 1.0730 1.0766 1.7197 1.7240 5.3228 5.3230 9.7057 9.7063 10.1729 10.1748 10.7935 10.7963 k = 0.4580-0.3984 0.4637 ( 3429 PWs) bands (ev): -47.8983 -47.8983 -22.9138 -22.9137 -19.9667 -19.9643 -19.8011 -19.7985 -19.7566 -19.7560 -18.1245 -18.1243 -8.1419 -8.1417 -4.7315 -4.7309 -4.6863 -4.6848 -4.5303 -4.5284 -0.0439 -0.0434 1.0736 1.0772 1.7192 1.7236 5.3298 5.3299 9.6890 9.6896 10.1649 10.1668 10.7821 10.7848 k = 0.4638-0.4035 0.4524 ( 3433 PWs) bands (ev): -47.8983 -47.8983 -22.9138 -22.9138 -19.9669 -19.9644 -19.8012 -19.7986 -19.7564 -19.7561 -18.1245 -18.1243 -8.1430 -8.1429 -4.7281 -4.7277 -4.6862 -4.6847 -4.5310 -4.5291 -0.0407 -0.0404 1.0740 1.0776 1.7189 1.7233 5.3348 5.3349 9.6771 9.6777 10.1592 10.1611 10.7739 10.7766 k = 0.4696-0.4085 0.4412 ( 3437 PWs) bands (ev): -47.8983 -47.8983 -22.9139 -22.9138 -19.9669 -19.9645 -19.8013 -19.7987 -19.7563 -19.7561 -18.1245 -18.1243 -8.1436 -8.1435 -4.7260 -4.7258 -4.6861 -4.6847 -4.5314 -4.5296 -0.0387 -0.0386 1.0743 1.0779 1.7187 1.7231 5.3378 5.3379 9.6699 9.6704 10.1557 10.1576 10.7690 10.7717 k = 0.4754-0.4136 0.4299 ( 3438 PWs) bands (ev): -47.8983 -47.8983 -22.9139 -22.9138 -19.9670 -19.9645 -19.8013 -19.7987 -19.7563 -19.7562 -18.1245 -18.1243 -8.1438 -8.1438 -4.7253 -4.7252 -4.6861 -4.6846 -4.5315 -4.5298 -0.0380 -0.0380 1.0744 1.0780 1.7186 1.7230 5.3388 5.3388 9.6674 9.6680 10.1546 10.1565 10.7673 10.7700 k = 0.5246 0.5533 0.0222 ( 3438 PWs) bands (ev): -47.8983 -47.8983 -22.9139 -22.9138 -19.9670 -19.9645 -19.8013 -19.7987 -19.7563 -19.7562 -18.1245 -18.1243 -8.1438 -8.1438 -4.7253 -4.7252 -4.6861 -4.6846 -4.5315 -4.5298 -0.0380 -0.0380 1.0744 1.0780 1.7186 1.7230 5.3388 5.3388 9.6674 9.6680 10.1546 10.1565 10.7673 10.7700 k = 0.5164 0.5605 0.0148 ( 3438 PWs) bands (ev): -47.8983 -47.8983 -22.9136 -22.9136 -19.9669 -19.9652 -19.8011 -19.7994 -19.7563 -19.7563 -18.1239 -18.1238 -8.1469 -8.1468 -4.7259 -4.7259 -4.6812 -4.6802 -4.5345 -4.5332 -0.0369 -0.0369 1.0882 1.0907 1.7137 1.7167 5.3397 5.3397 9.6649 9.6652 10.1945 10.1959 10.7165 10.7183 k = 0.5082 0.5676 0.0074 ( 3434 PWs) bands (ev): -47.8983 -47.8983 -22.9135 -22.9135 -19.9666 -19.9658 -19.8009 -19.8000 -19.7563 -19.7563 -18.1235 -18.1235 -8.1487 -8.1486 -4.7263 -4.7263 -4.6781 -4.6776 -4.5361 -4.5355 -0.0363 -0.0363 1.0969 1.0982 1.7110 1.7125 5.3402 5.3402 9.6630 9.6632 10.2243 10.2251 10.6799 10.6809 k = 0.5000 0.5747-0.0000 ( 3434 PWs) bands (ev): -47.8983 -47.8983 -22.9134 -22.9134 -19.9663 -19.9663 -19.8005 -19.8005 -19.7563 -19.7563 -18.1234 -18.1234 -8.1493 -8.1493 -4.7264 -4.7264 -4.6769 -4.6769 -4.5364 -4.5364 -0.0361 -0.0361 1.1003 1.1003 1.7105 1.7105 5.3403 5.3403 9.6624 9.6624 10.2359 10.2359 10.6666 10.6666 Writing output data file NaNO2.save init_run : 1.00s CPU 11.05s WALL ( 1 calls) electrons : 379.09s CPU 391.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.29s CPU 2.02s WALL ( 1 calls) Called by electrons: c_bands : 379.06s CPU 390.78s WALL ( 1 calls) v_of_rho : 0.12s CPU 1.02s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.11s CPU 0.62s WALL ( 1 calls) newd : 0.19s CPU 0.53s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 448 calls) cegterg : 333.45s CPU 340.62s WALL ( 828 calls) Called by sum_band: Called by *egterg: h_psi : 177.81s CPU 186.25s WALL ( 13720 calls) s_psi : 5.08s CPU 5.70s WALL ( 13720 calls) g_psi : 0.39s CPU 0.46s WALL ( 12444 calls) cdiaghg : 104.25s CPU 104.16s WALL ( 12892 calls) cegterg:over : 27.77s CPU 25.42s WALL ( 12444 calls) cegterg:upda : 3.76s CPU 6.77s WALL ( 12444 calls) cegterg:last : 4.09s CPU 5.09s WALL ( 2443 calls) Called by h_psi: h_psi:vloc : 160.93s CPU 168.70s WALL ( 13720 calls) h_psi:vnl : 16.76s CPU 17.12s WALL ( 13720 calls) add_vuspsi : 2.42s CPU 4.79s WALL ( 13720 calls) General routines calbec : 14.31s CPU 12.24s WALL ( 13720 calls) fft : 0.09s CPU 1.31s WALL ( 19 calls) ffts : 0.01s CPU 0.55s WALL ( 4 calls) fftw : 154.78s CPU 161.55s WALL ( 982032 calls) interpolate : 0.03s CPU 0.58s WALL ( 4 calls) davcio : 0.08s CPU 2.41s WALL ( 896 calls) Parallel routines fft_scatter : 100.17s CPU 105.38s WALL ( 982055 calls) PWSCF : 7m11.46s CPU 9m10.57s WALL This run was terminated on: 23:32:24 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=