Program PWSCF v.5.1.1 starts on 9Oct2015 at 15:58:23 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 33 28 8 721 539 85 Max 34 29 9 726 553 88 Sum 1627 1345 399 34751 26165 4149 bravais-lattice index = 14 lattice parameter (alat) = 8.0162 a.u. unit-cell volume = 353.6093 (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)= 8.016230 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.656110 celldm(5)= -0.195150 celldm(6)= -0.148739 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.148739 0.988876 0.000000 ) a(3) = ( -0.195150 -0.692844 0.694179 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.150412 0.431247 ) b(2) = ( 0.000000 1.011249 1.009304 ) b(3) = ( 0.000000 0.000000 1.440552 ) 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= 459 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 2) = ( -0.0055713 0.0047960 0.0112464), wk = 0.0021786 k( 3) = ( -0.0111427 0.0095920 0.0224927), wk = 0.0021786 k( 4) = ( -0.0167140 0.0143880 0.0337390), wk = 0.0021786 k( 5) = ( -0.0222853 0.0191840 0.0449854), wk = 0.0021786 k( 6) = ( -0.0278567 0.0239800 0.0562317), wk = 0.0021786 k( 7) = ( -0.0334280 0.0287761 0.0674781), wk = 0.0021786 k( 8) = ( -0.0389994 0.0335721 0.0787244), wk = 0.0021786 k( 9) = ( -0.0445707 0.0383681 0.0899708), wk = 0.0021786 k( 10) = ( -0.0501420 0.0431641 0.1012171), wk = 0.0021786 k( 11) = ( -0.0557134 0.0479601 0.1124635), wk = 0.0021786 k( 12) = ( -0.0612847 0.0527561 0.1237098), wk = 0.0021786 k( 13) = ( -0.0668560 0.0575521 0.1349562), wk = 0.0021786 k( 14) = ( -0.0724274 0.0623481 0.1462025), wk = 0.0021786 k( 15) = ( -0.0779987 0.0671441 0.1574489), wk = 0.0021786 k( 16) = ( -0.0835701 0.0719401 0.1686952), wk = 0.0021786 k( 17) = ( -0.0891414 0.0767361 0.1799416), wk = 0.0021786 k( 18) = ( -0.0947127 0.0815321 0.1911879), wk = 0.0021786 k( 19) = ( -0.1002841 0.0863282 0.2024343), wk = 0.0021786 k( 20) = ( -0.1058554 0.0911242 0.2136806), wk = 0.0021786 k( 21) = ( -0.1114267 0.0959202 0.2249270), wk = 0.0021786 k( 22) = ( -0.1169981 0.1007162 0.2361733), wk = 0.0021786 k( 23) = ( -0.1225694 0.1055122 0.2474197), wk = 0.0021786 k( 24) = ( -0.1281407 0.1103082 0.2586660), wk = 0.0021786 k( 25) = ( -0.1337121 0.1151042 0.2699124), wk = 0.0021786 k( 26) = ( -0.1392834 0.1199002 0.2811587), wk = 0.0021786 k( 27) = ( -0.1448548 0.1246962 0.2924051), wk = 0.0021786 k( 28) = ( -0.1504261 0.1294922 0.3036514), wk = 0.0021786 k( 29) = ( -0.1559974 0.1342882 0.3148977), wk = 0.0021786 k( 30) = ( -0.1615688 0.1390843 0.3261441), wk = 0.0021786 k( 31) = ( -0.1671401 0.1438803 0.3373904), wk = 0.0021786 k( 32) = ( -0.1727114 0.1486763 0.3486368), wk = 0.0021786 k( 33) = ( -0.1782828 0.1534723 0.3598831), wk = 0.0021786 k( 34) = ( -0.1838541 0.1582683 0.3711295), wk = 0.0021786 k( 35) = ( -0.1894254 0.1630643 0.3823758), wk = 0.0021786 k( 36) = ( -0.1949968 0.1678603 0.3936222), wk = 0.0021786 k( 37) = ( -0.2005681 0.1726563 0.4048685), wk = 0.0021786 k( 38) = ( -0.2061395 0.1774523 0.4161149), wk = 0.0021786 k( 39) = ( -0.2117108 0.1822483 0.4273612), wk = 0.0021786 k( 40) = ( -0.2172821 0.1870443 0.4386076), wk = 0.0021786 k( 41) = ( -0.2228535 0.1918404 0.4498539), wk = 0.0021786 k( 42) = ( -0.2284248 0.1966364 0.4611003), wk = 0.0021786 k( 43) = ( -0.2339961 0.2014324 0.4723466), wk = 0.0021786 k( 44) = ( -0.2395675 0.2062284 0.4835930), wk = 0.0021786 k( 45) = ( -0.2451388 0.2110244 0.4948393), wk = 0.0021786 k( 46) = ( -0.2507101 0.2158204 0.5060857), wk = 0.0021786 k( 47) = ( -0.2562815 0.2206164 0.5173320), wk = 0.0021786 k( 48) = ( -0.2618528 0.2254124 0.5285784), wk = 0.0021786 k( 49) = ( -0.2674242 0.2302084 0.5398247), wk = 0.0021786 k( 50) = ( -0.2729955 0.2350044 0.5510711), wk = 0.0021786 k( 51) = ( -0.2785668 0.2398004 0.5623174), wk = 0.0021786 k( 52) = ( -0.2841382 0.2445964 0.5735637), wk = 0.0021786 k( 53) = ( -0.2897095 0.2493925 0.5848101), wk = 0.0021786 k( 54) = ( -0.2952808 0.2541885 0.5960564), wk = 0.0021786 k( 55) = ( -0.3008522 0.2589845 0.6073028), wk = 0.0021786 k( 56) = ( -0.3064235 0.2637805 0.6185491), wk = 0.0021786 k( 57) = ( -0.3119948 0.2685765 0.6297955), wk = 0.0021786 k( 58) = ( -0.3175662 0.2733725 0.6410418), wk = 0.0021786 k( 59) = ( -0.3231375 0.2781685 0.6522882), wk = 0.0021786 k( 60) = ( -0.3287088 0.2829645 0.6635345), wk = 0.0021786 k( 61) = ( -0.3342802 0.2877605 0.6747809), wk = 0.0021786 k( 62) = ( -0.3398515 0.2925565 0.6860272), wk = 0.0021786 k( 63) = ( -0.3454229 0.2973525 0.6972736), wk = 0.0021786 k( 64) = ( -0.3509942 0.3021486 0.7085199), wk = 0.0021786 k( 65) = ( -0.3509942 0.3021486 0.7085199), wk = 0.0021786 k( 66) = ( -0.3441791 0.2962819 0.7143979), wk = 0.0021786 k( 67) = ( -0.3373641 0.2904153 0.7202758), wk = 0.0021786 k( 68) = ( -0.3373641 0.2904153 0.7202758), wk = 0.0021786 k( 69) = ( -0.3271409 0.2816148 0.7202758), wk = 0.0021786 k( 70) = ( -0.3169178 0.2728143 0.7202758), wk = 0.0021786 k( 71) = ( -0.3066946 0.2640139 0.7202758), wk = 0.0021786 k( 72) = ( -0.2964715 0.2552134 0.7202758), wk = 0.0021786 k( 73) = ( -0.2862483 0.2464129 0.7202758), wk = 0.0021786 k( 74) = ( -0.2760252 0.2376125 0.7202758), wk = 0.0021786 k( 75) = ( -0.2658020 0.2288120 0.7202758), wk = 0.0021786 k( 76) = ( -0.2555789 0.2200116 0.7202758), wk = 0.0021786 k( 77) = ( -0.2453557 0.2112111 0.7202758), wk = 0.0021786 k( 78) = ( -0.2351325 0.2024106 0.7202758), wk = 0.0021786 k( 79) = ( -0.2249094 0.1936102 0.7202758), wk = 0.0021786 k( 80) = ( -0.2146862 0.1848097 0.7202758), wk = 0.0021786 k( 81) = ( -0.2044631 0.1760092 0.7202758), wk = 0.0021786 k( 82) = ( -0.1942399 0.1672088 0.7202758), wk = 0.0021786 k( 83) = ( -0.1840168 0.1584083 0.7202758), wk = 0.0021786 k( 84) = ( -0.1737936 0.1496079 0.7202758), wk = 0.0021786 k( 85) = ( -0.1635705 0.1408074 0.7202758), wk = 0.0021786 k( 86) = ( -0.1533473 0.1320069 0.7202758), wk = 0.0021786 k( 87) = ( -0.1431242 0.1232065 0.7202758), wk = 0.0021786 k( 88) = ( -0.1329010 0.1144060 0.7202758), wk = 0.0021786 k( 89) = ( -0.1226779 0.1056055 0.7202758), wk = 0.0021786 k( 90) = ( -0.1124547 0.0968051 0.7202758), wk = 0.0021786 k( 91) = ( -0.1022315 0.0880046 0.7202758), wk = 0.0021786 k( 92) = ( -0.0920084 0.0792042 0.7202758), wk = 0.0021786 k( 93) = ( -0.0817852 0.0704037 0.7202758), wk = 0.0021786 k( 94) = ( -0.0715621 0.0616032 0.7202758), wk = 0.0021786 k( 95) = ( -0.0613389 0.0528028 0.7202758), wk = 0.0021786 k( 96) = ( -0.0511158 0.0440023 0.7202758), wk = 0.0021786 k( 97) = ( -0.0408926 0.0352019 0.7202758), wk = 0.0021786 k( 98) = ( -0.0306695 0.0264014 0.7202758), wk = 0.0021786 k( 99) = ( -0.0204463 0.0176009 0.7202758), wk = 0.0021786 k( 100) = ( -0.0102232 0.0088005 0.7202758), wk = 0.0021786 k( 101) = ( 0.0000000 0.0000000 0.7202758), wk = 0.0021786 k( 102) = ( 0.0000000 0.0000000 0.7202758), wk = 0.0021786 k( 103) = ( 0.0086207 0.0100143 0.7202758), wk = 0.0021786 k( 104) = ( 0.0172414 0.0200286 0.7202758), wk = 0.0021786 k( 105) = ( 0.0258621 0.0300430 0.7202758), wk = 0.0021786 k( 106) = ( 0.0344828 0.0400573 0.7202758), wk = 0.0021786 k( 107) = ( 0.0431035 0.0500716 0.7202758), wk = 0.0021786 k( 108) = ( 0.0517241 0.0600859 0.7202758), wk = 0.0021786 k( 109) = ( 0.0603448 0.0701002 0.7202758), wk = 0.0021786 k( 110) = ( 0.0689655 0.0801146 0.7202758), wk = 0.0021786 k( 111) = ( 0.0775862 0.0901289 0.7202758), wk = 0.0021786 k( 112) = ( 0.0862069 0.1001432 0.7202758), wk = 0.0021786 k( 113) = ( 0.0948276 0.1101575 0.7202758), wk = 0.0021786 k( 114) = ( 0.1034483 0.1201718 0.7202758), wk = 0.0021786 k( 115) = ( 0.1120690 0.1301862 0.7202758), wk = 0.0021786 k( 116) = ( 0.1206897 0.1402005 0.7202758), wk = 0.0021786 k( 117) = ( 0.1293103 0.1502148 0.7202758), wk = 0.0021786 k( 118) = ( 0.1379310 0.1602291 0.7202758), wk = 0.0021786 k( 119) = ( 0.1465517 0.1702434 0.7202758), wk = 0.0021786 k( 120) = ( 0.1551724 0.1802577 0.7202758), wk = 0.0021786 k( 121) = ( 0.1637931 0.1902721 0.7202758), wk = 0.0021786 k( 122) = ( 0.1724138 0.2002864 0.7202758), wk = 0.0021786 k( 123) = ( 0.1810345 0.2103007 0.7202758), wk = 0.0021786 k( 124) = ( 0.1896552 0.2203150 0.7202758), wk = 0.0021786 k( 125) = ( 0.1982759 0.2303293 0.7202758), wk = 0.0021786 k( 126) = ( 0.2068966 0.2403437 0.7202758), wk = 0.0021786 k( 127) = ( 0.2155172 0.2503580 0.7202758), wk = 0.0021786 k( 128) = ( 0.2241379 0.2603723 0.7202758), wk = 0.0021786 k( 129) = ( 0.2327586 0.2703866 0.7202758), wk = 0.0021786 k( 130) = ( 0.2413793 0.2804009 0.7202758), wk = 0.0021786 k( 131) = ( 0.2500000 0.2904153 0.7202758), wk = 0.0021786 k( 132) = ( 0.2500000 0.2904153 0.7202758), wk = 0.0021786 k( 133) = ( 0.2416667 0.2975889 0.7130884), wk = 0.0021786 k( 134) = ( 0.2333333 0.3047625 0.7059009), wk = 0.0021786 k( 135) = ( 0.2250000 0.3119362 0.6987135), wk = 0.0021786 k( 136) = ( 0.2166667 0.3191098 0.6915260), wk = 0.0021786 k( 137) = ( 0.2083333 0.3262834 0.6843385), wk = 0.0021786 k( 138) = ( 0.2000000 0.3334571 0.6771511), wk = 0.0021786 k( 139) = ( 0.1916667 0.3406307 0.6699636), wk = 0.0021786 k( 140) = ( 0.1833333 0.3478043 0.6627762), wk = 0.0021786 k( 141) = ( 0.1750000 0.3549780 0.6555887), wk = 0.0021786 k( 142) = ( 0.1666667 0.3621516 0.6484013), wk = 0.0021786 k( 143) = ( 0.1583333 0.3693253 0.6412138), wk = 0.0021786 k( 144) = ( 0.1500000 0.3764989 0.6340264), wk = 0.0021786 k( 145) = ( 0.1416667 0.3836725 0.6268389), wk = 0.0021786 k( 146) = ( 0.1333333 0.3908462 0.6196514), wk = 0.0021786 k( 147) = ( 0.1250000 0.3980198 0.6124640), wk = 0.0021786 k( 148) = ( 0.1166667 0.4051934 0.6052765), wk = 0.0021786 k( 149) = ( 0.1083333 0.4123671 0.5980891), wk = 0.0021786 k( 150) = ( 0.1000000 0.4195407 0.5909016), wk = 0.0021786 k( 151) = ( 0.0916667 0.4267143 0.5837142), wk = 0.0021786 k( 152) = ( 0.0833333 0.4338880 0.5765267), wk = 0.0021786 k( 153) = ( 0.0750000 0.4410616 0.5693393), wk = 0.0021786 k( 154) = ( 0.0666667 0.4482352 0.5621518), wk = 0.0021786 k( 155) = ( 0.0583333 0.4554089 0.5549643), wk = 0.0021786 k( 156) = ( 0.0500000 0.4625825 0.5477769), wk = 0.0021786 k( 157) = ( 0.0416667 0.4697562 0.5405894), wk = 0.0021786 k( 158) = ( 0.0333333 0.4769298 0.5334020), wk = 0.0021786 k( 159) = ( 0.0250000 0.4841034 0.5262145), wk = 0.0021786 k( 160) = ( 0.0166667 0.4912771 0.5190271), wk = 0.0021786 k( 161) = ( 0.0083333 0.4984507 0.5118396), wk = 0.0021786 k( 162) = ( 0.0000000 0.5056243 0.5046522), wk = 0.0021786 k( 163) = ( 0.0000000 0.5056243 0.5046522), wk = 0.0021786 k( 164) = ( 0.0103234 0.5116089 0.4986560), wk = 0.0021786 k( 165) = ( 0.0206467 0.5175935 0.4926599), wk = 0.0021786 k( 166) = ( 0.0309701 0.5235781 0.4866638), wk = 0.0021786 k( 167) = ( 0.0412934 0.5295627 0.4806677), wk = 0.0021786 k( 168) = ( 0.0516168 0.5355472 0.4746716), wk = 0.0021786 k( 169) = ( 0.0619401 0.5415318 0.4686755), wk = 0.0021786 k( 170) = ( 0.0722635 0.5475164 0.4626794), wk = 0.0021786 k( 171) = ( 0.0825869 0.5535010 0.4566833), wk = 0.0021786 k( 172) = ( 0.0929102 0.5594856 0.4506872), wk = 0.0021786 k( 173) = ( 0.1032336 0.5654702 0.4446911), wk = 0.0021786 k( 174) = ( 0.1135570 0.5714547 0.4386949), wk = 0.0021786 k( 175) = ( 0.1238803 0.5774393 0.4326988), wk = 0.0021786 k( 176) = ( 0.1342037 0.5834239 0.4267027), wk = 0.0021786 k( 177) = ( 0.1445270 0.5894085 0.4207066), wk = 0.0021786 k( 178) = ( 0.1548504 0.5953931 0.4147105), wk = 0.0021786 k( 179) = ( 0.1651737 0.6013776 0.4087144), wk = 0.0021786 k( 180) = ( 0.1754971 0.6073622 0.4027183), wk = 0.0021786 k( 181) = ( 0.1858205 0.6133468 0.3967222), wk = 0.0021786 k( 182) = ( 0.1961438 0.6193314 0.3907261), wk = 0.0021786 k( 183) = ( 0.2064672 0.6253160 0.3847299), wk = 0.0021786 k( 184) = ( 0.2167905 0.6313005 0.3787338), wk = 0.0021786 k( 185) = ( 0.2271139 0.6372851 0.3727377), wk = 0.0021786 k( 186) = ( 0.2374372 0.6432697 0.3667416), wk = 0.0021786 k( 187) = ( 0.2477606 0.6492543 0.3607455), wk = 0.0021786 k( 188) = ( 0.2580840 0.6552389 0.3547494), wk = 0.0021786 k( 189) = ( 0.2684073 0.6612235 0.3487533), wk = 0.0021786 k( 190) = ( 0.2787307 0.6672080 0.3427572), wk = 0.0021786 k( 191) = ( 0.2890541 0.6731926 0.3367611), wk = 0.0021786 k( 192) = ( 0.2993774 0.6791772 0.3307650), wk = 0.0021786 k( 193) = ( 0.3097008 0.6851618 0.3247688), wk = 0.0021786 k( 194) = ( 0.3200241 0.6911464 0.3187727), wk = 0.0021786 k( 195) = ( 0.3303475 0.6971310 0.3127766), wk = 0.0021786 k( 196) = ( 0.3406708 0.7031155 0.3067805), wk = 0.0021786 k( 197) = ( 0.3509942 0.7091001 0.3007844), wk = 0.0021786 k( 198) = ( 0.3509942 0.7091001 0.3007844), wk = 0.0021786 k( 199) = ( 0.3565129 0.7043494 0.2896442), wk = 0.0021786 k( 200) = ( 0.3620317 0.6995987 0.2785041), wk = 0.0021786 k( 201) = ( 0.3675504 0.6948479 0.2673639), wk = 0.0021786 k( 202) = ( 0.3730691 0.6900972 0.2562238), wk = 0.0021786 k( 203) = ( 0.3785879 0.6853465 0.2450836), wk = 0.0021786 k( 204) = ( 0.3841066 0.6805958 0.2339434), wk = 0.0021786 k( 205) = ( 0.3896253 0.6758450 0.2228033), wk = 0.0021786 k( 206) = ( 0.3951441 0.6710943 0.2116631), wk = 0.0021786 k( 207) = ( 0.4006628 0.6663436 0.2005229), wk = 0.0021786 k( 208) = ( 0.4061815 0.6615929 0.1893828), wk = 0.0021786 k( 209) = ( 0.4117003 0.6568421 0.1782426), wk = 0.0021786 k( 210) = ( 0.4172190 0.6520914 0.1671024), wk = 0.0021786 k( 211) = ( 0.4227377 0.6473407 0.1559623), wk = 0.0021786 k( 212) = ( 0.4282565 0.6425899 0.1448221), wk = 0.0021786 k( 213) = ( 0.4337752 0.6378392 0.1336820), wk = 0.0021786 k( 214) = ( 0.4392939 0.6330885 0.1225418), wk = 0.0021786 k( 215) = ( 0.4448127 0.6283378 0.1114016), wk = 0.0021786 k( 216) = ( 0.4503314 0.6235870 0.1002615), wk = 0.0021786 k( 217) = ( 0.4558501 0.6188363 0.0891213), wk = 0.0021786 k( 218) = ( 0.4613689 0.6140856 0.0779811), wk = 0.0021786 k( 219) = ( 0.4668876 0.6093349 0.0668410), wk = 0.0021786 k( 220) = ( 0.4724063 0.6045841 0.0557008), wk = 0.0021786 k( 221) = ( 0.4779251 0.5998334 0.0445606), wk = 0.0021786 k( 222) = ( 0.4834438 0.5950827 0.0334205), wk = 0.0021786 k( 223) = ( 0.4889625 0.5903320 0.0222803), wk = 0.0021786 k( 224) = ( 0.4944813 0.5855812 0.0111402), wk = 0.0021786 k( 225) = ( 0.5000000 0.5808305 0.0000000), wk = 0.0021786 k( 226) = ( 0.5000000 0.5808305 0.0000000), wk = 0.0021786 k( 227) = ( 0.4912281 0.5706405 0.0000000), wk = 0.0021786 k( 228) = ( 0.4824561 0.5604505 0.0000000), wk = 0.0021786 k( 229) = ( 0.4736842 0.5502605 0.0000000), wk = 0.0021786 k( 230) = ( 0.4649123 0.5400705 0.0000000), wk = 0.0021786 k( 231) = ( 0.4561404 0.5298805 0.0000000), wk = 0.0021786 k( 232) = ( 0.4473684 0.5196905 0.0000000), wk = 0.0021786 k( 233) = ( 0.4385965 0.5095004 0.0000000), wk = 0.0021786 k( 234) = ( 0.4298246 0.4993104 0.0000000), wk = 0.0021786 k( 235) = ( 0.4210526 0.4891204 0.0000000), wk = 0.0021786 k( 236) = ( 0.4122807 0.4789304 0.0000000), wk = 0.0021786 k( 237) = ( 0.4035088 0.4687404 0.0000000), wk = 0.0021786 k( 238) = ( 0.3947368 0.4585504 0.0000000), wk = 0.0021786 k( 239) = ( 0.3859649 0.4483604 0.0000000), wk = 0.0021786 k( 240) = ( 0.3771930 0.4381704 0.0000000), wk = 0.0021786 k( 241) = ( 0.3684211 0.4279804 0.0000000), wk = 0.0021786 k( 242) = ( 0.3596491 0.4177904 0.0000000), wk = 0.0021786 k( 243) = ( 0.3508772 0.4076004 0.0000000), wk = 0.0021786 k( 244) = ( 0.3421053 0.3974103 0.0000000), wk = 0.0021786 k( 245) = ( 0.3333333 0.3872203 0.0000000), wk = 0.0021786 k( 246) = ( 0.3245614 0.3770303 0.0000000), wk = 0.0021786 k( 247) = ( 0.3157895 0.3668403 0.0000000), wk = 0.0021786 k( 248) = ( 0.3070175 0.3566503 0.0000000), wk = 0.0021786 k( 249) = ( 0.2982456 0.3464603 0.0000000), wk = 0.0021786 k( 250) = ( 0.2894737 0.3362703 0.0000000), wk = 0.0021786 k( 251) = ( 0.2807018 0.3260803 0.0000000), wk = 0.0021786 k( 252) = ( 0.2719298 0.3158903 0.0000000), wk = 0.0021786 k( 253) = ( 0.2631579 0.3057003 0.0000000), wk = 0.0021786 k( 254) = ( 0.2543860 0.2955103 0.0000000), wk = 0.0021786 k( 255) = ( 0.2456140 0.2853203 0.0000000), wk = 0.0021786 k( 256) = ( 0.2368421 0.2751302 0.0000000), wk = 0.0021786 k( 257) = ( 0.2280702 0.2649402 0.0000000), wk = 0.0021786 k( 258) = ( 0.2192983 0.2547502 0.0000000), wk = 0.0021786 k( 259) = ( 0.2105263 0.2445602 0.0000000), wk = 0.0021786 k( 260) = ( 0.2017544 0.2343702 0.0000000), wk = 0.0021786 k( 261) = ( 0.1929825 0.2241802 0.0000000), wk = 0.0021786 k( 262) = ( 0.1842105 0.2139902 0.0000000), wk = 0.0021786 k( 263) = ( 0.1754386 0.2038002 0.0000000), wk = 0.0021786 k( 264) = ( 0.1666667 0.1936102 0.0000000), wk = 0.0021786 k( 265) = ( 0.1578947 0.1834202 0.0000000), wk = 0.0021786 k( 266) = ( 0.1491228 0.1732302 0.0000000), wk = 0.0021786 k( 267) = ( 0.1403509 0.1630401 0.0000000), wk = 0.0021786 k( 268) = ( 0.1315790 0.1528501 0.0000000), wk = 0.0021786 k( 269) = ( 0.1228070 0.1426601 0.0000000), wk = 0.0021786 k( 270) = ( 0.1140351 0.1324701 0.0000000), wk = 0.0021786 k( 271) = ( 0.1052632 0.1222801 0.0000000), wk = 0.0021786 k( 272) = ( 0.0964912 0.1120901 0.0000000), wk = 0.0021786 k( 273) = ( 0.0877193 0.1019001 0.0000000), wk = 0.0021786 k( 274) = ( 0.0789474 0.0917101 0.0000000), wk = 0.0021786 k( 275) = ( 0.0701754 0.0815201 0.0000000), wk = 0.0021786 k( 276) = ( 0.0614035 0.0713301 0.0000000), wk = 0.0021786 k( 277) = ( 0.0526316 0.0611401 0.0000000), wk = 0.0021786 k( 278) = ( 0.0438597 0.0509500 0.0000000), wk = 0.0021786 k( 279) = ( 0.0350877 0.0407600 0.0000000), wk = 0.0021786 k( 280) = ( 0.0263158 0.0305700 0.0000000), wk = 0.0021786 k( 281) = ( 0.0175439 0.0203800 0.0000000), wk = 0.0021786 k( 282) = ( 0.0087719 0.0101900 0.0000000), wk = 0.0021786 k( 283) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 284) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 285) = ( 0.0085328 -0.0073454 0.0073595), wk = 0.0021786 k( 286) = ( 0.0170656 -0.0146907 0.0147190), wk = 0.0021786 k( 287) = ( 0.0255984 -0.0220360 0.0220785), wk = 0.0021786 k( 288) = ( 0.0341312 -0.0293814 0.0294380), wk = 0.0021786 k( 289) = ( 0.0426640 -0.0367267 0.0367975), wk = 0.0021786 k( 290) = ( 0.0511968 -0.0440721 0.0441570), wk = 0.0021786 k( 291) = ( 0.0597296 -0.0514174 0.0515165), wk = 0.0021786 k( 292) = ( 0.0682624 -0.0587628 0.0588760), wk = 0.0021786 k( 293) = ( 0.0767952 -0.0661081 0.0662355), wk = 0.0021786 k( 294) = ( 0.0853281 -0.0734535 0.0735950), wk = 0.0021786 k( 295) = ( 0.0938609 -0.0807988 0.0809545), wk = 0.0021786 k( 296) = ( 0.1023937 -0.0881442 0.0883140), wk = 0.0021786 k( 297) = ( 0.1109265 -0.0954895 0.0956735), wk = 0.0021786 k( 298) = ( 0.1194593 -0.1028349 0.1030330), wk = 0.0021786 k( 299) = ( 0.1279921 -0.1101802 0.1103925), wk = 0.0021786 k( 300) = ( 0.1365249 -0.1175256 0.1177520), wk = 0.0021786 k( 301) = ( 0.1450577 -0.1248709 0.1251115), wk = 0.0021786 k( 302) = ( 0.1535905 -0.1322163 0.1324710), wk = 0.0021786 k( 303) = ( 0.1621233 -0.1395616 0.1398305), wk = 0.0021786 k( 304) = ( 0.1706561 -0.1469070 0.1471900), wk = 0.0021786 k( 305) = ( 0.1791889 -0.1542523 0.1545495), wk = 0.0021786 k( 306) = ( 0.1877217 -0.1615977 0.1619090), wk = 0.0021786 k( 307) = ( 0.1962545 -0.1689430 0.1692685), wk = 0.0021786 k( 308) = ( 0.2047873 -0.1762884 0.1766280), wk = 0.0021786 k( 309) = ( 0.2133201 -0.1836337 0.1839875), wk = 0.0021786 k( 310) = ( 0.2218529 -0.1909791 0.1913470), wk = 0.0021786 k( 311) = ( 0.2303857 -0.1983244 0.1987065), wk = 0.0021786 k( 312) = ( 0.2389185 -0.2056698 0.2060660), wk = 0.0021786 k( 313) = ( 0.2474513 -0.2130151 0.2134255), wk = 0.0021786 k( 314) = ( 0.2559842 -0.2203605 0.2207850), wk = 0.0021786 k( 315) = ( 0.2645170 -0.2277058 0.2281445), wk = 0.0021786 k( 316) = ( 0.2730498 -0.2350512 0.2355040), wk = 0.0021786 k( 317) = ( 0.2815826 -0.2423965 0.2428635), wk = 0.0021786 k( 318) = ( 0.2901154 -0.2497418 0.2502230), wk = 0.0021786 k( 319) = ( 0.2986482 -0.2570872 0.2575825), wk = 0.0021786 k( 320) = ( 0.3071810 -0.2644325 0.2649420), wk = 0.0021786 k( 321) = ( 0.3157138 -0.2717779 0.2723015), wk = 0.0021786 k( 322) = ( 0.3242466 -0.2791232 0.2796610), wk = 0.0021786 k( 323) = ( 0.3327794 -0.2864686 0.2870205), wk = 0.0021786 k( 324) = ( 0.3413122 -0.2938139 0.2943799), wk = 0.0021786 k( 325) = ( 0.3498450 -0.3011593 0.3017395), wk = 0.0021786 k( 326) = ( 0.3583778 -0.3085046 0.3090989), wk = 0.0021786 k( 327) = ( 0.3669106 -0.3158500 0.3164584), wk = 0.0021786 k( 328) = ( 0.3754434 -0.3231953 0.3238179), wk = 0.0021786 k( 329) = ( 0.3839762 -0.3305407 0.3311774), wk = 0.0021786 k( 330) = ( 0.3925090 -0.3378860 0.3385369), wk = 0.0021786 k( 331) = ( 0.4010418 -0.3452314 0.3458964), wk = 0.0021786 k( 332) = ( 0.4095746 -0.3525767 0.3532559), wk = 0.0021786 k( 333) = ( 0.4181074 -0.3599221 0.3606154), wk = 0.0021786 k( 334) = ( 0.4266402 -0.3672674 0.3679749), wk = 0.0021786 k( 335) = ( 0.4351731 -0.3746128 0.3753344), wk = 0.0021786 k( 336) = ( 0.4437059 -0.3819581 0.3826939), wk = 0.0021786 k( 337) = ( 0.4522387 -0.3893035 0.3900534), wk = 0.0021786 k( 338) = ( 0.4607715 -0.3966488 0.3974129), wk = 0.0021786 k( 339) = ( 0.4693043 -0.4039942 0.4047724), wk = 0.0021786 k( 340) = ( 0.4778371 -0.4113395 0.4121319), wk = 0.0021786 k( 341) = ( 0.4863699 -0.4186849 0.4194914), wk = 0.0021786 k( 342) = ( 0.4863699 -0.4186849 0.4194914), wk = 0.0021786 k( 343) = ( 0.4867106 -0.4063376 0.4143947), wk = 0.0021786 k( 344) = ( 0.4870514 -0.3939903 0.4092980), wk = 0.0021786 k( 345) = ( 0.4873921 -0.3816430 0.4042013), wk = 0.0021786 k( 346) = ( 0.4877329 -0.3692958 0.3991047), wk = 0.0021786 k( 347) = ( 0.4880737 -0.3569485 0.3940080), wk = 0.0021786 k( 348) = ( 0.4884144 -0.3446012 0.3889113), wk = 0.0021786 k( 349) = ( 0.4887552 -0.3322539 0.3838146), wk = 0.0021786 k( 350) = ( 0.4890959 -0.3199067 0.3787179), wk = 0.0021786 k( 351) = ( 0.4894367 -0.3075594 0.3736212), wk = 0.0021786 k( 352) = ( 0.4897774 -0.2952121 0.3685245), wk = 0.0021786 k( 353) = ( 0.4901182 -0.2828648 0.3634278), wk = 0.0021786 k( 354) = ( 0.4904589 -0.2705176 0.3583311), wk = 0.0021786 k( 355) = ( 0.4907997 -0.2581703 0.3532344), wk = 0.0021786 k( 356) = ( 0.4911404 -0.2458230 0.3481377), wk = 0.0021786 k( 357) = ( 0.4914812 -0.2334757 0.3430410), wk = 0.0021786 k( 358) = ( 0.4918219 -0.2211284 0.3379443), wk = 0.0021786 k( 359) = ( 0.4921627 -0.2087812 0.3328476), wk = 0.0021786 k( 360) = ( 0.4925034 -0.1964339 0.3277509), wk = 0.0021786 k( 361) = ( 0.4928442 -0.1840866 0.3226542), wk = 0.0021786 k( 362) = ( 0.4931849 -0.1717393 0.3175575), wk = 0.0021786 k( 363) = ( 0.4935257 -0.1593921 0.3124609), wk = 0.0021786 k( 364) = ( 0.4938665 -0.1470448 0.3073642), wk = 0.0021786 k( 365) = ( 0.4942072 -0.1346975 0.3022675), wk = 0.0021786 k( 366) = ( 0.4945480 -0.1223502 0.2971708), wk = 0.0021786 k( 367) = ( 0.4948887 -0.1100030 0.2920741), wk = 0.0021786 k( 368) = ( 0.4952295 -0.0976557 0.2869774), wk = 0.0021786 k( 369) = ( 0.4955702 -0.0853084 0.2818807), wk = 0.0021786 k( 370) = ( 0.4959110 -0.0729611 0.2767840), wk = 0.0021786 k( 371) = ( 0.4962517 -0.0606139 0.2716873), wk = 0.0021786 k( 372) = ( 0.4965925 -0.0482666 0.2665906), wk = 0.0021786 k( 373) = ( 0.4969332 -0.0359193 0.2614939), wk = 0.0021786 k( 374) = ( 0.4972740 -0.0235720 0.2563972), wk = 0.0021786 k( 375) = ( 0.4976147 -0.0112248 0.2513005), wk = 0.0021786 k( 376) = ( 0.4979555 0.0011225 0.2462038), wk = 0.0021786 k( 377) = ( 0.4982962 0.0134698 0.2411071), wk = 0.0021786 k( 378) = ( 0.4986370 0.0258171 0.2360104), wk = 0.0021786 k( 379) = ( 0.4989777 0.0381644 0.2309137), wk = 0.0021786 k( 380) = ( 0.4993185 0.0505116 0.2258170), wk = 0.0021786 k( 381) = ( 0.4996592 0.0628589 0.2207204), wk = 0.0021786 k( 382) = ( 0.5000000 0.0752062 0.2156237), wk = 0.0021786 k( 383) = ( 0.5000000 0.0752062 0.2156237), wk = 0.0021786 k( 384) = ( 0.4944444 0.0799886 0.2268382), wk = 0.0021786 k( 385) = ( 0.4888889 0.0847710 0.2380526), wk = 0.0021786 k( 386) = ( 0.4833333 0.0895535 0.2492671), wk = 0.0021786 k( 387) = ( 0.4777778 0.0943359 0.2604816), wk = 0.0021786 k( 388) = ( 0.4722222 0.0991183 0.2716961), wk = 0.0021786 k( 389) = ( 0.4666667 0.1039007 0.2829106), wk = 0.0021786 k( 390) = ( 0.4611111 0.1086831 0.2941251), wk = 0.0021786 k( 391) = ( 0.4555556 0.1134656 0.3053396), wk = 0.0021786 k( 392) = ( 0.4500000 0.1182480 0.3165541), wk = 0.0021786 k( 393) = ( 0.4444444 0.1230304 0.3277686), wk = 0.0021786 k( 394) = ( 0.4388889 0.1278128 0.3389831), wk = 0.0021786 k( 395) = ( 0.4333333 0.1325953 0.3501976), wk = 0.0021786 k( 396) = ( 0.4277778 0.1373777 0.3614121), wk = 0.0021786 k( 397) = ( 0.4222222 0.1421601 0.3726266), wk = 0.0021786 k( 398) = ( 0.4166667 0.1469425 0.3838410), wk = 0.0021786 k( 399) = ( 0.4111111 0.1517250 0.3950555), wk = 0.0021786 k( 400) = ( 0.4055556 0.1565074 0.4062700), wk = 0.0021786 k( 401) = ( 0.4000000 0.1612898 0.4174845), wk = 0.0021786 k( 402) = ( 0.3944444 0.1660722 0.4286990), wk = 0.0021786 k( 403) = ( 0.3888889 0.1708547 0.4399135), wk = 0.0021786 k( 404) = ( 0.3833333 0.1756371 0.4511280), wk = 0.0021786 k( 405) = ( 0.3777778 0.1804195 0.4623425), wk = 0.0021786 k( 406) = ( 0.3722222 0.1852019 0.4735570), wk = 0.0021786 k( 407) = ( 0.3666667 0.1899843 0.4847715), wk = 0.0021786 k( 408) = ( 0.3611111 0.1947668 0.4959860), wk = 0.0021786 k( 409) = ( 0.3555556 0.1995492 0.5072005), wk = 0.0021786 k( 410) = ( 0.3500000 0.2043316 0.5184150), wk = 0.0021786 k( 411) = ( 0.3444444 0.2091141 0.5296295), wk = 0.0021786 k( 412) = ( 0.3388889 0.2138965 0.5408439), wk = 0.0021786 k( 413) = ( 0.3333333 0.2186789 0.5520584), wk = 0.0021786 k( 414) = ( 0.3277778 0.2234613 0.5632729), wk = 0.0021786 k( 415) = ( 0.3222222 0.2282437 0.5744874), wk = 0.0021786 k( 416) = ( 0.3166667 0.2330262 0.5857019), wk = 0.0021786 k( 417) = ( 0.3111111 0.2378086 0.5969164), wk = 0.0021786 k( 418) = ( 0.3055556 0.2425910 0.6081309), wk = 0.0021786 k( 419) = ( 0.3000000 0.2473734 0.6193454), wk = 0.0021786 k( 420) = ( 0.2944444 0.2521559 0.6305599), wk = 0.0021786 k( 421) = ( 0.2888889 0.2569383 0.6417744), wk = 0.0021786 k( 422) = ( 0.2833333 0.2617207 0.6529889), wk = 0.0021786 k( 423) = ( 0.2777778 0.2665031 0.6642034), wk = 0.0021786 k( 424) = ( 0.2722222 0.2712856 0.6754179), wk = 0.0021786 k( 425) = ( 0.2666667 0.2760680 0.6866323), wk = 0.0021786 k( 426) = ( 0.2611111 0.2808504 0.6978468), wk = 0.0021786 k( 427) = ( 0.2555556 0.2856328 0.7090613), wk = 0.0021786 k( 428) = ( 0.2500000 0.2904153 0.7202758), wk = 0.0021786 k( 429) = ( 0.3373641 -0.2904153 0.7202758), wk = 0.0021786 k( 430) = ( 0.3428828 -0.2951660 0.7091357), wk = 0.0021786 k( 431) = ( 0.3484016 -0.2999167 0.6979955), wk = 0.0021786 k( 432) = ( 0.3539203 -0.3046674 0.6868553), wk = 0.0021786 k( 433) = ( 0.3594390 -0.3094182 0.6757152), wk = 0.0021786 k( 434) = ( 0.3649578 -0.3141689 0.6645750), wk = 0.0021786 k( 435) = ( 0.3704765 -0.3189196 0.6534349), wk = 0.0021786 k( 436) = ( 0.3759952 -0.3236703 0.6422947), wk = 0.0021786 k( 437) = ( 0.3815139 -0.3284211 0.6311545), wk = 0.0021786 k( 438) = ( 0.3870327 -0.3331718 0.6200144), wk = 0.0021786 k( 439) = ( 0.3925514 -0.3379225 0.6088742), wk = 0.0021786 k( 440) = ( 0.3980702 -0.3426732 0.5977340), wk = 0.0021786 k( 441) = ( 0.4035889 -0.3474240 0.5865939), wk = 0.0021786 k( 442) = ( 0.4091076 -0.3521747 0.5754537), wk = 0.0021786 k( 443) = ( 0.4146263 -0.3569254 0.5643135), wk = 0.0021786 k( 444) = ( 0.4201451 -0.3616762 0.5531734), wk = 0.0021786 k( 445) = ( 0.4256638 -0.3664269 0.5420332), wk = 0.0021786 k( 446) = ( 0.4311825 -0.3711776 0.5308931), wk = 0.0021786 k( 447) = ( 0.4367013 -0.3759283 0.5197529), wk = 0.0021786 k( 448) = ( 0.4422200 -0.3806791 0.5086127), wk = 0.0021786 k( 449) = ( 0.4477388 -0.3854298 0.4974726), wk = 0.0021786 k( 450) = ( 0.4532575 -0.3901805 0.4863324), wk = 0.0021786 k( 451) = ( 0.4587762 -0.3949312 0.4751922), wk = 0.0021786 k( 452) = ( 0.4642949 -0.3996820 0.4640521), wk = 0.0021786 k( 453) = ( 0.4698137 -0.4044327 0.4529119), wk = 0.0021786 k( 454) = ( 0.4753324 -0.4091834 0.4417717), wk = 0.0021786 k( 455) = ( 0.4808512 -0.4139341 0.4306316), wk = 0.0021786 k( 456) = ( 0.4863699 -0.4186849 0.4194914), wk = 0.0021786 k( 457) = ( 0.5136301 0.5690972 0.0117559), wk = 0.0021786 k( 458) = ( 0.5068151 0.5749639 0.0058780), wk = 0.0021786 k( 459) = ( 0.5000000 0.5808305 0.0000000), wk = 0.0021786 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 2) = ( -0.0055713 0.0055713 0.0055713), wk = 0.0021786 k( 3) = ( -0.0111427 0.0111427 0.0111427), wk = 0.0021786 k( 4) = ( -0.0167140 0.0167140 0.0167140), wk = 0.0021786 k( 5) = ( -0.0222853 0.0222854 0.0222853), wk = 0.0021786 k( 6) = ( -0.0278567 0.0278567 0.0278567), wk = 0.0021786 k( 7) = ( -0.0334280 0.0334280 0.0334280), wk = 0.0021786 k( 8) = ( -0.0389994 0.0389994 0.0389994), wk = 0.0021786 k( 9) = ( -0.0445707 0.0445707 0.0445707), wk = 0.0021786 k( 10) = ( -0.0501420 0.0501420 0.0501420), wk = 0.0021786 k( 11) = ( -0.0557134 0.0557134 0.0557134), wk = 0.0021786 k( 12) = ( -0.0612847 0.0612847 0.0612847), wk = 0.0021786 k( 13) = ( -0.0668560 0.0668560 0.0668560), wk = 0.0021786 k( 14) = ( -0.0724274 0.0724274 0.0724274), wk = 0.0021786 k( 15) = ( -0.0779987 0.0779987 0.0779987), wk = 0.0021786 k( 16) = ( -0.0835701 0.0835701 0.0835700), wk = 0.0021786 k( 17) = ( -0.0891414 0.0891414 0.0891414), wk = 0.0021786 k( 18) = ( -0.0947127 0.0947127 0.0947127), wk = 0.0021786 k( 19) = ( -0.1002841 0.1002841 0.1002841), wk = 0.0021786 k( 20) = ( -0.1058554 0.1058554 0.1058554), wk = 0.0021786 k( 21) = ( -0.1114267 0.1114267 0.1114267), wk = 0.0021786 k( 22) = ( -0.1169981 0.1169981 0.1169981), wk = 0.0021786 k( 23) = ( -0.1225694 0.1225694 0.1225694), wk = 0.0021786 k( 24) = ( -0.1281407 0.1281407 0.1281407), wk = 0.0021786 k( 25) = ( -0.1337121 0.1337121 0.1337121), wk = 0.0021786 k( 26) = ( -0.1392834 0.1392834 0.1392834), wk = 0.0021786 k( 27) = ( -0.1448548 0.1448548 0.1448548), wk = 0.0021786 k( 28) = ( -0.1504261 0.1504261 0.1504261), wk = 0.0021786 k( 29) = ( -0.1559974 0.1559974 0.1559974), wk = 0.0021786 k( 30) = ( -0.1615688 0.1615688 0.1615688), wk = 0.0021786 k( 31) = ( -0.1671401 0.1671401 0.1671401), wk = 0.0021786 k( 32) = ( -0.1727114 0.1727114 0.1727114), wk = 0.0021786 k( 33) = ( -0.1782828 0.1782828 0.1782828), wk = 0.0021786 k( 34) = ( -0.1838541 0.1838541 0.1838541), wk = 0.0021786 k( 35) = ( -0.1894254 0.1894254 0.1894254), wk = 0.0021786 k( 36) = ( -0.1949968 0.1949968 0.1949968), wk = 0.0021786 k( 37) = ( -0.2005681 0.2005681 0.2005681), wk = 0.0021786 k( 38) = ( -0.2061395 0.2061395 0.2061395), wk = 0.0021786 k( 39) = ( -0.2117108 0.2117108 0.2117108), wk = 0.0021786 k( 40) = ( -0.2172821 0.2172821 0.2172821), wk = 0.0021786 k( 41) = ( -0.2228535 0.2228535 0.2228535), wk = 0.0021786 k( 42) = ( -0.2284248 0.2284248 0.2284248), wk = 0.0021786 k( 43) = ( -0.2339961 0.2339961 0.2339961), wk = 0.0021786 k( 44) = ( -0.2395675 0.2395675 0.2395675), wk = 0.0021786 k( 45) = ( -0.2451388 0.2451388 0.2451388), wk = 0.0021786 k( 46) = ( -0.2507101 0.2507101 0.2507101), wk = 0.0021786 k( 47) = ( -0.2562815 0.2562815 0.2562815), wk = 0.0021786 k( 48) = ( -0.2618528 0.2618528 0.2618528), wk = 0.0021786 k( 49) = ( -0.2674242 0.2674242 0.2674242), wk = 0.0021786 k( 50) = ( -0.2729955 0.2729955 0.2729955), wk = 0.0021786 k( 51) = ( -0.2785668 0.2785668 0.2785668), wk = 0.0021786 k( 52) = ( -0.2841382 0.2841382 0.2841382), wk = 0.0021786 k( 53) = ( -0.2897095 0.2897095 0.2897095), wk = 0.0021786 k( 54) = ( -0.2952808 0.2952808 0.2952808), wk = 0.0021786 k( 55) = ( -0.3008522 0.3008522 0.3008522), wk = 0.0021786 k( 56) = ( -0.3064235 0.3064235 0.3064235), wk = 0.0021786 k( 57) = ( -0.3119948 0.3119948 0.3119948), wk = 0.0021786 k( 58) = ( -0.3175662 0.3175662 0.3175662), wk = 0.0021786 k( 59) = ( -0.3231375 0.3231375 0.3231375), wk = 0.0021786 k( 60) = ( -0.3287088 0.3287088 0.3287089), wk = 0.0021786 k( 61) = ( -0.3342802 0.3342802 0.3342802), wk = 0.0021786 k( 62) = ( -0.3398515 0.3398515 0.3398515), wk = 0.0021786 k( 63) = ( -0.3454229 0.3454229 0.3454229), wk = 0.0021786 k( 64) = ( -0.3509942 0.3509942 0.3509942), wk = 0.0021786 k( 65) = ( -0.3509942 0.3509942 0.3509942), wk = 0.0021786 k( 66) = ( -0.3441791 0.3441791 0.3578093), wk = 0.0021786 k( 67) = ( -0.3373641 0.3373641 0.3646243), wk = 0.0021786 k( 68) = ( -0.3373641 0.3373641 0.3646243), wk = 0.0021786 k( 69) = ( -0.3271409 0.3271409 0.3687266), wk = 0.0021786 k( 70) = ( -0.3169178 0.3169178 0.3728289), wk = 0.0021786 k( 71) = ( -0.3066946 0.3066946 0.3769312), wk = 0.0021786 k( 72) = ( -0.2964715 0.2964715 0.3810335), wk = 0.0021786 k( 73) = ( -0.2862483 0.2862483 0.3851358), wk = 0.0021786 k( 74) = ( -0.2760252 0.2760252 0.3892381), wk = 0.0021786 k( 75) = ( -0.2658020 0.2658020 0.3933404), wk = 0.0021786 k( 76) = ( -0.2555789 0.2555789 0.3974427), wk = 0.0021786 k( 77) = ( -0.2453557 0.2453557 0.4015450), wk = 0.0021786 k( 78) = ( -0.2351325 0.2351325 0.4056473), wk = 0.0021786 k( 79) = ( -0.2249094 0.2249094 0.4097495), wk = 0.0021786 k( 80) = ( -0.2146862 0.2146862 0.4138518), wk = 0.0021786 k( 81) = ( -0.2044631 0.2044631 0.4179541), wk = 0.0021786 k( 82) = ( -0.1942399 0.1942399 0.4220564), wk = 0.0021786 k( 83) = ( -0.1840168 0.1840168 0.4261587), wk = 0.0021786 k( 84) = ( -0.1737936 0.1737936 0.4302610), wk = 0.0021786 k( 85) = ( -0.1635705 0.1635705 0.4343633), wk = 0.0021786 k( 86) = ( -0.1533473 0.1533473 0.4384656), wk = 0.0021786 k( 87) = ( -0.1431242 0.1431242 0.4425679), wk = 0.0021786 k( 88) = ( -0.1329010 0.1329010 0.4466702), wk = 0.0021786 k( 89) = ( -0.1226779 0.1226779 0.4507725), wk = 0.0021786 k( 90) = ( -0.1124547 0.1124547 0.4548748), wk = 0.0021786 k( 91) = ( -0.1022315 0.1022315 0.4589771), wk = 0.0021786 k( 92) = ( -0.0920084 0.0920084 0.4630794), wk = 0.0021786 k( 93) = ( -0.0817852 0.0817852 0.4671817), wk = 0.0021786 k( 94) = ( -0.0715621 0.0715621 0.4712840), wk = 0.0021786 k( 95) = ( -0.0613389 0.0613389 0.4753862), wk = 0.0021786 k( 96) = ( -0.0511158 0.0511158 0.4794885), wk = 0.0021786 k( 97) = ( -0.0408926 0.0408926 0.4835908), wk = 0.0021786 k( 98) = ( -0.0306695 0.0306695 0.4876931), wk = 0.0021786 k( 99) = ( -0.0204463 0.0204463 0.4917954), wk = 0.0021786 k( 100) = ( -0.0102232 0.0102232 0.4958977), wk = 0.0021786 k( 101) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021786 k( 102) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021786 k( 103) = ( 0.0086207 0.0086207 0.4913793), wk = 0.0021786 k( 104) = ( 0.0172414 0.0172414 0.4827586), wk = 0.0021786 k( 105) = ( 0.0258621 0.0258621 0.4741379), wk = 0.0021786 k( 106) = ( 0.0344828 0.0344828 0.4655172), wk = 0.0021786 k( 107) = ( 0.0431035 0.0431035 0.4568965), wk = 0.0021786 k( 108) = ( 0.0517241 0.0517241 0.4482759), wk = 0.0021786 k( 109) = ( 0.0603448 0.0603448 0.4396552), wk = 0.0021786 k( 110) = ( 0.0689655 0.0689655 0.4310345), wk = 0.0021786 k( 111) = ( 0.0775862 0.0775862 0.4224138), wk = 0.0021786 k( 112) = ( 0.0862069 0.0862069 0.4137931), wk = 0.0021786 k( 113) = ( 0.0948276 0.0948276 0.4051724), wk = 0.0021786 k( 114) = ( 0.1034483 0.1034483 0.3965517), wk = 0.0021786 k( 115) = ( 0.1120690 0.1120690 0.3879310), wk = 0.0021786 k( 116) = ( 0.1206897 0.1206897 0.3793103), wk = 0.0021786 k( 117) = ( 0.1293103 0.1293103 0.3706897), wk = 0.0021786 k( 118) = ( 0.1379310 0.1379310 0.3620690), wk = 0.0021786 k( 119) = ( 0.1465517 0.1465517 0.3534483), wk = 0.0021786 k( 120) = ( 0.1551724 0.1551724 0.3448276), wk = 0.0021786 k( 121) = ( 0.1637931 0.1637931 0.3362069), wk = 0.0021786 k( 122) = ( 0.1724138 0.1724138 0.3275862), wk = 0.0021786 k( 123) = ( 0.1810345 0.1810345 0.3189655), wk = 0.0021786 k( 124) = ( 0.1896552 0.1896552 0.3103448), wk = 0.0021786 k( 125) = ( 0.1982759 0.1982759 0.3017241), wk = 0.0021786 k( 126) = ( 0.2068966 0.2068966 0.2931035), wk = 0.0021786 k( 127) = ( 0.2155172 0.2155172 0.2844828), wk = 0.0021786 k( 128) = ( 0.2241379 0.2241379 0.2758621), wk = 0.0021786 k( 129) = ( 0.2327586 0.2327586 0.2672414), wk = 0.0021786 k( 130) = ( 0.2413793 0.2413793 0.2586207), wk = 0.0021786 k( 131) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 k( 132) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 k( 133) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0021786 k( 134) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0021786 k( 135) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0021786 k( 136) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0021786 k( 137) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0021786 k( 138) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0021786 k( 139) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0021786 k( 140) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0021786 k( 141) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0021786 k( 142) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0021786 k( 143) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0021786 k( 144) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0021786 k( 145) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0021786 k( 146) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0021786 k( 147) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0021786 k( 148) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0021786 k( 149) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0021786 k( 150) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0021786 k( 151) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0021786 k( 152) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0021786 k( 153) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0021786 k( 154) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0021786 k( 155) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0021786 k( 156) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0021786 k( 157) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0021786 k( 158) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0021786 k( 159) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0021786 k( 160) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0021786 k( 161) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0021786 k( 162) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021786 k( 163) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021786 k( 164) = ( 0.0103234 0.5043825 -0.0103234), wk = 0.0021786 k( 165) = ( 0.0206467 0.5087651 -0.0206467), wk = 0.0021786 k( 166) = ( 0.0309701 0.5131476 -0.0309701), wk = 0.0021786 k( 167) = ( 0.0412934 0.5175301 -0.0412934), wk = 0.0021786 k( 168) = ( 0.0516168 0.5219126 -0.0516168), wk = 0.0021786 k( 169) = ( 0.0619401 0.5262951 -0.0619402), wk = 0.0021786 k( 170) = ( 0.0722635 0.5306777 -0.0722635), wk = 0.0021786 k( 171) = ( 0.0825869 0.5350602 -0.0825869), wk = 0.0021786 k( 172) = ( 0.0929102 0.5394427 -0.0929102), wk = 0.0021786 k( 173) = ( 0.1032336 0.5438252 -0.1032336), wk = 0.0021786 k( 174) = ( 0.1135570 0.5482078 -0.1135569), wk = 0.0021786 k( 175) = ( 0.1238803 0.5525903 -0.1238803), wk = 0.0021786 k( 176) = ( 0.1342037 0.5569728 -0.1342037), wk = 0.0021786 k( 177) = ( 0.1445270 0.5613553 -0.1445270), wk = 0.0021786 k( 178) = ( 0.1548504 0.5657379 -0.1548504), wk = 0.0021786 k( 179) = ( 0.1651737 0.5701204 -0.1651737), wk = 0.0021786 k( 180) = ( 0.1754971 0.5745029 -0.1754971), wk = 0.0021786 k( 181) = ( 0.1858205 0.5788854 -0.1858205), wk = 0.0021786 k( 182) = ( 0.1961438 0.5832679 -0.1961438), wk = 0.0021786 k( 183) = ( 0.2064672 0.5876505 -0.2064672), wk = 0.0021786 k( 184) = ( 0.2167905 0.5920330 -0.2167905), wk = 0.0021786 k( 185) = ( 0.2271139 0.5964155 -0.2271139), wk = 0.0021786 k( 186) = ( 0.2374372 0.6007980 -0.2374372), wk = 0.0021786 k( 187) = ( 0.2477606 0.6051806 -0.2477606), wk = 0.0021786 k( 188) = ( 0.2580840 0.6095631 -0.2580840), wk = 0.0021786 k( 189) = ( 0.2684073 0.6139456 -0.2684073), wk = 0.0021786 k( 190) = ( 0.2787307 0.6183281 -0.2787307), wk = 0.0021786 k( 191) = ( 0.2890541 0.6227107 -0.2890541), wk = 0.0021786 k( 192) = ( 0.2993774 0.6270932 -0.2993774), wk = 0.0021786 k( 193) = ( 0.3097008 0.6314757 -0.3097008), wk = 0.0021786 k( 194) = ( 0.3200241 0.6358582 -0.3200241), wk = 0.0021786 k( 195) = ( 0.3303475 0.6402408 -0.3303475), wk = 0.0021786 k( 196) = ( 0.3406708 0.6446233 -0.3406708), wk = 0.0021786 k( 197) = ( 0.3509942 0.6490058 -0.3509942), wk = 0.0021786 k( 198) = ( 0.3509942 0.6490058 -0.3509942), wk = 0.0021786 k( 199) = ( 0.3565129 0.6434871 -0.3565129), wk = 0.0021786 k( 200) = ( 0.3620317 0.6379683 -0.3620317), wk = 0.0021786 k( 201) = ( 0.3675504 0.6324496 -0.3675504), wk = 0.0021786 k( 202) = ( 0.3730691 0.6269309 -0.3730691), wk = 0.0021786 k( 203) = ( 0.3785879 0.6214121 -0.3785879), wk = 0.0021786 k( 204) = ( 0.3841066 0.6158934 -0.3841066), wk = 0.0021786 k( 205) = ( 0.3896253 0.6103747 -0.3896253), wk = 0.0021786 k( 206) = ( 0.3951441 0.6048559 -0.3951441), wk = 0.0021786 k( 207) = ( 0.4006628 0.5993372 -0.4006628), wk = 0.0021786 k( 208) = ( 0.4061815 0.5938185 -0.4061815), wk = 0.0021786 k( 209) = ( 0.4117003 0.5882997 -0.4117003), wk = 0.0021786 k( 210) = ( 0.4172190 0.5827810 -0.4172190), wk = 0.0021786 k( 211) = ( 0.4227377 0.5772623 -0.4227377), wk = 0.0021786 k( 212) = ( 0.4282565 0.5717435 -0.4282565), wk = 0.0021786 k( 213) = ( 0.4337752 0.5662248 -0.4337752), wk = 0.0021786 k( 214) = ( 0.4392939 0.5607061 -0.4392939), wk = 0.0021786 k( 215) = ( 0.4448127 0.5551873 -0.4448127), wk = 0.0021786 k( 216) = ( 0.4503314 0.5496686 -0.4503314), wk = 0.0021786 k( 217) = ( 0.4558501 0.5441499 -0.4558501), wk = 0.0021786 k( 218) = ( 0.4613689 0.5386311 -0.4613689), wk = 0.0021786 k( 219) = ( 0.4668876 0.5331124 -0.4668876), wk = 0.0021786 k( 220) = ( 0.4724063 0.5275937 -0.4724063), wk = 0.0021786 k( 221) = ( 0.4779251 0.5220749 -0.4779251), wk = 0.0021786 k( 222) = ( 0.4834438 0.5165562 -0.4834438), wk = 0.0021786 k( 223) = ( 0.4889625 0.5110375 -0.4889625), wk = 0.0021786 k( 224) = ( 0.4944813 0.5055187 -0.4944813), wk = 0.0021786 k( 225) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 k( 226) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 k( 227) = ( 0.4912281 0.4912281 -0.4912281), wk = 0.0021786 k( 228) = ( 0.4824561 0.4824561 -0.4824561), wk = 0.0021786 k( 229) = ( 0.4736842 0.4736842 -0.4736842), wk = 0.0021786 k( 230) = ( 0.4649123 0.4649123 -0.4649123), wk = 0.0021786 k( 231) = ( 0.4561404 0.4561404 -0.4561404), wk = 0.0021786 k( 232) = ( 0.4473684 0.4473684 -0.4473684), wk = 0.0021786 k( 233) = ( 0.4385965 0.4385965 -0.4385965), wk = 0.0021786 k( 234) = ( 0.4298246 0.4298246 -0.4298246), wk = 0.0021786 k( 235) = ( 0.4210526 0.4210526 -0.4210526), wk = 0.0021786 k( 236) = ( 0.4122807 0.4122807 -0.4122807), wk = 0.0021786 k( 237) = ( 0.4035088 0.4035088 -0.4035088), wk = 0.0021786 k( 238) = ( 0.3947368 0.3947368 -0.3947368), wk = 0.0021786 k( 239) = ( 0.3859649 0.3859649 -0.3859649), wk = 0.0021786 k( 240) = ( 0.3771930 0.3771930 -0.3771930), wk = 0.0021786 k( 241) = ( 0.3684211 0.3684211 -0.3684211), wk = 0.0021786 k( 242) = ( 0.3596491 0.3596491 -0.3596491), wk = 0.0021786 k( 243) = ( 0.3508772 0.3508772 -0.3508772), wk = 0.0021786 k( 244) = ( 0.3421053 0.3421053 -0.3421053), wk = 0.0021786 k( 245) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0021786 k( 246) = ( 0.3245614 0.3245614 -0.3245614), wk = 0.0021786 k( 247) = ( 0.3157895 0.3157895 -0.3157895), wk = 0.0021786 k( 248) = ( 0.3070175 0.3070175 -0.3070175), wk = 0.0021786 k( 249) = ( 0.2982456 0.2982456 -0.2982456), wk = 0.0021786 k( 250) = ( 0.2894737 0.2894737 -0.2894737), wk = 0.0021786 k( 251) = ( 0.2807018 0.2807018 -0.2807018), wk = 0.0021786 k( 252) = ( 0.2719298 0.2719298 -0.2719298), wk = 0.0021786 k( 253) = ( 0.2631579 0.2631579 -0.2631579), wk = 0.0021786 k( 254) = ( 0.2543860 0.2543860 -0.2543860), wk = 0.0021786 k( 255) = ( 0.2456140 0.2456140 -0.2456140), wk = 0.0021786 k( 256) = ( 0.2368421 0.2368421 -0.2368421), wk = 0.0021786 k( 257) = ( 0.2280702 0.2280702 -0.2280702), wk = 0.0021786 k( 258) = ( 0.2192983 0.2192983 -0.2192983), wk = 0.0021786 k( 259) = ( 0.2105263 0.2105263 -0.2105263), wk = 0.0021786 k( 260) = ( 0.2017544 0.2017544 -0.2017544), wk = 0.0021786 k( 261) = ( 0.1929825 0.1929825 -0.1929825), wk = 0.0021786 k( 262) = ( 0.1842105 0.1842105 -0.1842105), wk = 0.0021786 k( 263) = ( 0.1754386 0.1754386 -0.1754386), wk = 0.0021786 k( 264) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0021786 k( 265) = ( 0.1578947 0.1578947 -0.1578947), wk = 0.0021786 k( 266) = ( 0.1491228 0.1491228 -0.1491228), wk = 0.0021786 k( 267) = ( 0.1403509 0.1403509 -0.1403509), wk = 0.0021786 k( 268) = ( 0.1315790 0.1315790 -0.1315790), wk = 0.0021786 k( 269) = ( 0.1228070 0.1228070 -0.1228070), wk = 0.0021786 k( 270) = ( 0.1140351 0.1140351 -0.1140351), wk = 0.0021786 k( 271) = ( 0.1052632 0.1052632 -0.1052632), wk = 0.0021786 k( 272) = ( 0.0964912 0.0964912 -0.0964912), wk = 0.0021786 k( 273) = ( 0.0877193 0.0877193 -0.0877193), wk = 0.0021786 k( 274) = ( 0.0789474 0.0789474 -0.0789474), wk = 0.0021786 k( 275) = ( 0.0701754 0.0701754 -0.0701754), wk = 0.0021786 k( 276) = ( 0.0614035 0.0614035 -0.0614035), wk = 0.0021786 k( 277) = ( 0.0526316 0.0526316 -0.0526316), wk = 0.0021786 k( 278) = ( 0.0438597 0.0438597 -0.0438597), wk = 0.0021786 k( 279) = ( 0.0350877 0.0350877 -0.0350877), wk = 0.0021786 k( 280) = ( 0.0263158 0.0263158 -0.0263158), wk = 0.0021786 k( 281) = ( 0.0175439 0.0175439 -0.0175439), wk = 0.0021786 k( 282) = ( 0.0087719 0.0087719 -0.0087719), wk = 0.0021786 k( 283) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 284) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 285) = ( 0.0085328 -0.0085328 0.0085328), wk = 0.0021786 k( 286) = ( 0.0170656 -0.0170656 0.0170656), wk = 0.0021786 k( 287) = ( 0.0255984 -0.0255984 0.0255984), wk = 0.0021786 k( 288) = ( 0.0341312 -0.0341312 0.0341312), wk = 0.0021786 k( 289) = ( 0.0426640 -0.0426640 0.0426640), wk = 0.0021786 k( 290) = ( 0.0511968 -0.0511968 0.0511968), wk = 0.0021786 k( 291) = ( 0.0597296 -0.0597296 0.0597296), wk = 0.0021786 k( 292) = ( 0.0682624 -0.0682624 0.0682624), wk = 0.0021786 k( 293) = ( 0.0767952 -0.0767952 0.0767952), wk = 0.0021786 k( 294) = ( 0.0853281 -0.0853281 0.0853281), wk = 0.0021786 k( 295) = ( 0.0938609 -0.0938609 0.0938609), wk = 0.0021786 k( 296) = ( 0.1023937 -0.1023937 0.1023937), wk = 0.0021786 k( 297) = ( 0.1109265 -0.1109265 0.1109265), wk = 0.0021786 k( 298) = ( 0.1194593 -0.1194593 0.1194593), wk = 0.0021786 k( 299) = ( 0.1279921 -0.1279921 0.1279921), wk = 0.0021786 k( 300) = ( 0.1365249 -0.1365249 0.1365249), wk = 0.0021786 k( 301) = ( 0.1450577 -0.1450577 0.1450577), wk = 0.0021786 k( 302) = ( 0.1535905 -0.1535905 0.1535905), wk = 0.0021786 k( 303) = ( 0.1621233 -0.1621233 0.1621233), wk = 0.0021786 k( 304) = ( 0.1706561 -0.1706561 0.1706561), wk = 0.0021786 k( 305) = ( 0.1791889 -0.1791889 0.1791889), wk = 0.0021786 k( 306) = ( 0.1877217 -0.1877217 0.1877217), wk = 0.0021786 k( 307) = ( 0.1962545 -0.1962545 0.1962545), wk = 0.0021786 k( 308) = ( 0.2047873 -0.2047873 0.2047873), wk = 0.0021786 k( 309) = ( 0.2133201 -0.2133201 0.2133201), wk = 0.0021786 k( 310) = ( 0.2218529 -0.2218529 0.2218529), wk = 0.0021786 k( 311) = ( 0.2303857 -0.2303857 0.2303857), wk = 0.0021786 k( 312) = ( 0.2389185 -0.2389185 0.2389185), wk = 0.0021786 k( 313) = ( 0.2474513 -0.2474514 0.2474514), wk = 0.0021786 k( 314) = ( 0.2559842 -0.2559842 0.2559842), wk = 0.0021786 k( 315) = ( 0.2645170 -0.2645170 0.2645170), wk = 0.0021786 k( 316) = ( 0.2730498 -0.2730498 0.2730498), wk = 0.0021786 k( 317) = ( 0.2815826 -0.2815826 0.2815826), wk = 0.0021786 k( 318) = ( 0.2901154 -0.2901154 0.2901154), wk = 0.0021786 k( 319) = ( 0.2986482 -0.2986482 0.2986482), wk = 0.0021786 k( 320) = ( 0.3071810 -0.3071810 0.3071810), wk = 0.0021786 k( 321) = ( 0.3157138 -0.3157138 0.3157138), wk = 0.0021786 k( 322) = ( 0.3242466 -0.3242466 0.3242466), wk = 0.0021786 k( 323) = ( 0.3327794 -0.3327794 0.3327794), wk = 0.0021786 k( 324) = ( 0.3413122 -0.3413122 0.3413122), wk = 0.0021786 k( 325) = ( 0.3498450 -0.3498450 0.3498450), wk = 0.0021786 k( 326) = ( 0.3583778 -0.3583778 0.3583778), wk = 0.0021786 k( 327) = ( 0.3669106 -0.3669106 0.3669106), wk = 0.0021786 k( 328) = ( 0.3754434 -0.3754434 0.3754434), wk = 0.0021786 k( 329) = ( 0.3839762 -0.3839762 0.3839762), wk = 0.0021786 k( 330) = ( 0.3925090 -0.3925090 0.3925090), wk = 0.0021786 k( 331) = ( 0.4010418 -0.4010418 0.4010418), wk = 0.0021786 k( 332) = ( 0.4095746 -0.4095746 0.4095746), wk = 0.0021786 k( 333) = ( 0.4181074 -0.4181074 0.4181075), wk = 0.0021786 k( 334) = ( 0.4266402 -0.4266403 0.4266402), wk = 0.0021786 k( 335) = ( 0.4351731 -0.4351731 0.4351731), wk = 0.0021786 k( 336) = ( 0.4437059 -0.4437059 0.4437059), wk = 0.0021786 k( 337) = ( 0.4522387 -0.4522387 0.4522387), wk = 0.0021786 k( 338) = ( 0.4607715 -0.4607715 0.4607715), wk = 0.0021786 k( 339) = ( 0.4693043 -0.4693043 0.4693043), wk = 0.0021786 k( 340) = ( 0.4778371 -0.4778371 0.4778371), wk = 0.0021786 k( 341) = ( 0.4863699 -0.4863699 0.4863699), wk = 0.0021786 k( 342) = ( 0.4863699 -0.4863699 0.4863699), wk = 0.0021786 k( 343) = ( 0.4867106 -0.4742106 0.4742106), wk = 0.0021786 k( 344) = ( 0.4870514 -0.4620514 0.4620514), wk = 0.0021786 k( 345) = ( 0.4873921 -0.4498921 0.4498921), wk = 0.0021786 k( 346) = ( 0.4877329 -0.4377329 0.4377329), wk = 0.0021786 k( 347) = ( 0.4880737 -0.4255737 0.4255737), wk = 0.0021786 k( 348) = ( 0.4884144 -0.4134144 0.4134144), wk = 0.0021786 k( 349) = ( 0.4887552 -0.4012552 0.4012552), wk = 0.0021786 k( 350) = ( 0.4890959 -0.3890959 0.3890959), wk = 0.0021786 k( 351) = ( 0.4894367 -0.3769367 0.3769367), wk = 0.0021786 k( 352) = ( 0.4897774 -0.3647774 0.3647774), wk = 0.0021786 k( 353) = ( 0.4901182 -0.3526182 0.3526182), wk = 0.0021786 k( 354) = ( 0.4904589 -0.3404589 0.3404589), wk = 0.0021786 k( 355) = ( 0.4907997 -0.3282997 0.3282997), wk = 0.0021786 k( 356) = ( 0.4911404 -0.3161404 0.3161404), wk = 0.0021786 k( 357) = ( 0.4914812 -0.3039812 0.3039812), wk = 0.0021786 k( 358) = ( 0.4918219 -0.2918219 0.2918219), wk = 0.0021786 k( 359) = ( 0.4921627 -0.2796627 0.2796627), wk = 0.0021786 k( 360) = ( 0.4925034 -0.2675034 0.2675034), wk = 0.0021786 k( 361) = ( 0.4928442 -0.2553442 0.2553442), wk = 0.0021786 k( 362) = ( 0.4931849 -0.2431849 0.2431849), wk = 0.0021786 k( 363) = ( 0.4935257 -0.2310257 0.2310257), wk = 0.0021786 k( 364) = ( 0.4938665 -0.2188665 0.2188665), wk = 0.0021786 k( 365) = ( 0.4942072 -0.2067072 0.2067072), wk = 0.0021786 k( 366) = ( 0.4945480 -0.1945480 0.1945480), wk = 0.0021786 k( 367) = ( 0.4948887 -0.1823887 0.1823887), wk = 0.0021786 k( 368) = ( 0.4952295 -0.1702295 0.1702295), wk = 0.0021786 k( 369) = ( 0.4955702 -0.1580702 0.1580702), wk = 0.0021786 k( 370) = ( 0.4959110 -0.1459110 0.1459110), wk = 0.0021786 k( 371) = ( 0.4962517 -0.1337517 0.1337517), wk = 0.0021786 k( 372) = ( 0.4965925 -0.1215925 0.1215925), wk = 0.0021786 k( 373) = ( 0.4969332 -0.1094332 0.1094332), wk = 0.0021786 k( 374) = ( 0.4972740 -0.0972740 0.0972740), wk = 0.0021786 k( 375) = ( 0.4976147 -0.0851147 0.0851147), wk = 0.0021786 k( 376) = ( 0.4979555 -0.0729555 0.0729555), wk = 0.0021786 k( 377) = ( 0.4982962 -0.0607962 0.0607962), wk = 0.0021786 k( 378) = ( 0.4986370 -0.0486370 0.0486370), wk = 0.0021786 k( 379) = ( 0.4989777 -0.0364777 0.0364777), wk = 0.0021786 k( 380) = ( 0.4993185 -0.0243185 0.0243185), wk = 0.0021786 k( 381) = ( 0.4996592 -0.0121593 0.0121592), wk = 0.0021786 k( 382) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021786 k( 383) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021786 k( 384) = ( 0.4944444 0.0055556 0.0055556), wk = 0.0021786 k( 385) = ( 0.4888889 0.0111111 0.0111111), wk = 0.0021786 k( 386) = ( 0.4833333 0.0166667 0.0166667), wk = 0.0021786 k( 387) = ( 0.4777778 0.0222222 0.0222222), wk = 0.0021786 k( 388) = ( 0.4722222 0.0277778 0.0277778), wk = 0.0021786 k( 389) = ( 0.4666667 0.0333333 0.0333333), wk = 0.0021786 k( 390) = ( 0.4611111 0.0388889 0.0388889), wk = 0.0021786 k( 391) = ( 0.4555556 0.0444444 0.0444444), wk = 0.0021786 k( 392) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0021786 k( 393) = ( 0.4444444 0.0555556 0.0555556), wk = 0.0021786 k( 394) = ( 0.4388889 0.0611111 0.0611111), wk = 0.0021786 k( 395) = ( 0.4333333 0.0666667 0.0666667), wk = 0.0021786 k( 396) = ( 0.4277778 0.0722222 0.0722222), wk = 0.0021786 k( 397) = ( 0.4222222 0.0777778 0.0777778), wk = 0.0021786 k( 398) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0021786 k( 399) = ( 0.4111111 0.0888889 0.0888889), wk = 0.0021786 k( 400) = ( 0.4055556 0.0944444 0.0944444), wk = 0.0021786 k( 401) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0021786 k( 402) = ( 0.3944444 0.1055556 0.1055556), wk = 0.0021786 k( 403) = ( 0.3888889 0.1111111 0.1111111), wk = 0.0021786 k( 404) = ( 0.3833333 0.1166667 0.1166667), wk = 0.0021786 k( 405) = ( 0.3777778 0.1222222 0.1222222), wk = 0.0021786 k( 406) = ( 0.3722222 0.1277778 0.1277778), wk = 0.0021786 k( 407) = ( 0.3666667 0.1333333 0.1333333), wk = 0.0021786 k( 408) = ( 0.3611111 0.1388889 0.1388889), wk = 0.0021786 k( 409) = ( 0.3555556 0.1444444 0.1444444), wk = 0.0021786 k( 410) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0021786 k( 411) = ( 0.3444444 0.1555556 0.1555556), wk = 0.0021786 k( 412) = ( 0.3388889 0.1611111 0.1611111), wk = 0.0021786 k( 413) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0021786 k( 414) = ( 0.3277778 0.1722222 0.1722222), wk = 0.0021786 k( 415) = ( 0.3222222 0.1777778 0.1777778), wk = 0.0021786 k( 416) = ( 0.3166667 0.1833333 0.1833333), wk = 0.0021786 k( 417) = ( 0.3111111 0.1888889 0.1888889), wk = 0.0021786 k( 418) = ( 0.3055556 0.1944444 0.1944444), wk = 0.0021786 k( 419) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0021786 k( 420) = ( 0.2944444 0.2055556 0.2055556), wk = 0.0021786 k( 421) = ( 0.2888889 0.2111111 0.2111111), wk = 0.0021786 k( 422) = ( 0.2833333 0.2166667 0.2166667), wk = 0.0021786 k( 423) = ( 0.2777778 0.2222222 0.2222222), wk = 0.0021786 k( 424) = ( 0.2722222 0.2277778 0.2277778), wk = 0.0021786 k( 425) = ( 0.2666667 0.2333333 0.2333333), wk = 0.0021786 k( 426) = ( 0.2611111 0.2388889 0.2388889), wk = 0.0021786 k( 427) = ( 0.2555556 0.2444444 0.2444444), wk = 0.0021786 k( 428) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 k( 429) = ( 0.3373641 -0.3373641 0.6353757), wk = 0.0021786 k( 430) = ( 0.3428828 -0.3428828 0.6298569), wk = 0.0021786 k( 431) = ( 0.3484016 -0.3484016 0.6243382), wk = 0.0021786 k( 432) = ( 0.3539203 -0.3539203 0.6188195), wk = 0.0021786 k( 433) = ( 0.3594390 -0.3594390 0.6133007), wk = 0.0021786 k( 434) = ( 0.3649578 -0.3649578 0.6077820), wk = 0.0021786 k( 435) = ( 0.3704765 -0.3704765 0.6022633), wk = 0.0021786 k( 436) = ( 0.3759952 -0.3759952 0.5967446), wk = 0.0021786 k( 437) = ( 0.3815139 -0.3815139 0.5912258), wk = 0.0021786 k( 438) = ( 0.3870327 -0.3870327 0.5857071), wk = 0.0021786 k( 439) = ( 0.3925514 -0.3925514 0.5801884), wk = 0.0021786 k( 440) = ( 0.3980702 -0.3980702 0.5746696), wk = 0.0021786 k( 441) = ( 0.4035889 -0.4035889 0.5691509), wk = 0.0021786 k( 442) = ( 0.4091076 -0.4091076 0.5636321), wk = 0.0021786 k( 443) = ( 0.4146263 -0.4146264 0.5581134), wk = 0.0021786 k( 444) = ( 0.4201451 -0.4201451 0.5525947), wk = 0.0021786 k( 445) = ( 0.4256638 -0.4256638 0.5470759), wk = 0.0021786 k( 446) = ( 0.4311825 -0.4311826 0.5415572), wk = 0.0021786 k( 447) = ( 0.4367013 -0.4367013 0.5360385), wk = 0.0021786 k( 448) = ( 0.4422200 -0.4422200 0.5305197), wk = 0.0021786 k( 449) = ( 0.4477388 -0.4477388 0.5250010), wk = 0.0021786 k( 450) = ( 0.4532575 -0.4532575 0.5194823), wk = 0.0021786 k( 451) = ( 0.4587762 -0.4587762 0.5139636), wk = 0.0021786 k( 452) = ( 0.4642949 -0.4642950 0.5084448), wk = 0.0021786 k( 453) = ( 0.4698137 -0.4698137 0.5029261), wk = 0.0021786 k( 454) = ( 0.4753324 -0.4753324 0.4974074), wk = 0.0021786 k( 455) = ( 0.4808512 -0.4808512 0.4918886), wk = 0.0021786 k( 456) = ( 0.4863699 -0.4863699 0.4863699), wk = 0.0021786 k( 457) = ( 0.5136301 0.4863699 -0.4863699), wk = 0.0021786 k( 458) = ( 0.5068151 0.4931849 -0.4931849), wk = 0.0021786 k( 459) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 Dense grid: 34751 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 26165 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 138, 34) NL pseudopotentials 0.06 Mb ( 69, 56) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 724) G-vector shells 0.01 Mb ( 699) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 138, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.06 Mb ( 56, 2, 34) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./NaNO2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.3 secs Computing kpt #: 2 total cpu time spent up to now is 42.6 secs Computing kpt #: 3 total cpu time spent up to now is 43.7 secs Computing kpt #: 4 total cpu time spent up to now is 44.7 secs Computing kpt #: 5 total cpu time spent up to now is 45.7 secs Computing kpt #: 6 total cpu time spent up to now is 46.7 secs Computing kpt #: 7 total cpu time spent up to now is 47.6 secs Computing kpt #: 8 total cpu time spent up to now is 48.6 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 50.8 secs Computing kpt #: 11 total cpu time spent up to now is 51.8 secs Computing kpt #: 12 total cpu time spent up to now is 52.8 secs Computing kpt #: 13 total cpu time spent up to now is 54.0 secs Computing kpt #: 14 total cpu time spent up to now is 55.1 secs Computing kpt #: 15 total cpu time spent up to now is 56.1 secs Computing kpt #: 16 total cpu time spent up to now is 57.4 secs Computing kpt #: 17 total cpu time spent up to now is 58.7 secs Computing kpt #: 18 total cpu time spent up to now is 60.7 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 63.2 secs Computing kpt #: 21 total cpu time spent up to now is 64.4 secs Computing kpt #: 22 total cpu time spent up to now is 65.5 secs Computing kpt #: 23 total cpu time spent up to now is 66.8 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 69.8 secs Computing kpt #: 27 total cpu time spent up to now is 70.7 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 72.7 secs Computing kpt #: 30 total cpu time spent up to now is 73.6 secs Computing kpt #: 31 total cpu time spent up to now is 74.3 secs Computing kpt #: 32 total cpu time spent up to now is 75.2 secs Computing kpt #: 33 total cpu time spent up to now is 76.0 secs Computing kpt #: 34 total cpu time spent up to now is 76.7 secs Computing kpt #: 35 total cpu time spent up to now is 77.4 secs Computing kpt #: 36 total cpu time spent up to now is 78.2 secs Computing kpt #: 37 total cpu time spent up to now is 78.9 secs Computing kpt #: 38 total cpu time spent up to now is 79.6 secs Computing kpt #: 39 total cpu time spent up to now is 80.5 secs Computing kpt #: 40 total cpu time spent up to now is 81.2 secs Computing kpt #: 41 total cpu time spent up to now is 81.9 secs Computing kpt #: 42 total cpu time spent up to now is 82.6 secs Computing kpt #: 43 total cpu time spent up to now is 83.3 secs Computing kpt #: 44 total cpu time spent up to now is 84.0 secs Computing kpt #: 45 total cpu time spent up to now is 84.8 secs Computing kpt #: 46 total cpu time spent up to now is 85.5 secs Computing kpt #: 47 total cpu time spent up to now is 86.2 secs Computing kpt #: 48 total cpu time spent up to now is 86.9 secs Computing kpt #: 49 total cpu time spent up to now is 87.7 secs Computing kpt #: 50 total cpu time spent up to now is 88.5 secs Computing kpt #: 51 total cpu time spent up to now is 89.5 secs Computing kpt #: 52 total cpu time spent up to now is 90.3 secs Computing kpt #: 53 total cpu time spent up to now is 91.3 secs Computing kpt #: 54 total cpu time spent up to now is 92.2 secs Computing kpt #: 55 total cpu time spent up to now is 93.1 secs Computing kpt #: 56 total cpu time spent up to now is 94.1 secs Computing kpt #: 57 total cpu time spent up to now is 94.9 secs Computing kpt #: 58 total cpu time spent up to now is 95.8 secs Computing kpt #: 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to now is 112.8 secs Computing kpt #: 75 total cpu time spent up to now is 113.7 secs Computing kpt #: 76 total cpu time spent up to now is 114.6 secs Computing kpt #: 77 total cpu time spent up to now is 115.6 secs Computing kpt #: 78 total cpu time spent up to now is 116.4 secs Computing kpt #: 79 total cpu time spent up to now is 117.3 secs Computing kpt #: 80 total cpu time spent up to now is 118.2 secs Computing kpt #: 81 total cpu time spent up to now is 119.0 secs Computing kpt #: 82 total cpu time spent up to now is 119.9 secs Computing kpt #: 83 total cpu time spent up to now is 120.8 secs Computing kpt #: 84 total cpu time spent up to now is 121.7 secs Computing kpt #: 85 total cpu time spent up to now is 122.6 secs Computing kpt #: 86 total cpu time spent up to now is 123.4 secs Computing kpt #: 87 total cpu time spent up to now is 124.3 secs Computing kpt #: 88 total cpu time spent up to now is 125.1 secs Computing kpt #: 89 total cpu time spent up to now is 126.0 secs Computing kpt #: 90 total cpu time spent up to now is 126.8 secs Computing kpt #: 91 total cpu time spent up to now is 127.7 secs Computing kpt #: 92 total cpu time spent up to now is 128.5 secs Computing kpt #: 93 total cpu time spent up to now is 129.3 secs Computing kpt #: 94 total cpu time spent up to now is 130.1 secs Computing kpt #: 95 total cpu time spent up to now is 131.3 secs Computing kpt #: 96 total cpu time spent up to now is 132.7 secs Computing kpt #: 97 total cpu time spent up to now is 134.1 secs Computing kpt #: 98 total cpu time spent up to now is 135.3 secs Computing kpt #: 99 total cpu time spent up to now is 136.6 secs Computing kpt #: 100 total cpu time spent up to now is 137.5 secs Computing kpt #: 101 total cpu time spent up to now is 138.4 secs Computing kpt #: 102 total cpu time spent up to now is 139.1 secs Computing kpt #: 103 total cpu time spent up to now is 140.0 secs Computing kpt #: 104 total cpu time spent up to now is 140.8 secs Computing kpt #: 105 total cpu time spent up to now is 141.6 secs Computing kpt #: 106 total cpu time spent up to now is 142.3 secs Computing kpt #: 107 total cpu time spent up to now is 143.0 secs Computing kpt #: 108 total cpu time spent up to now is 143.8 secs Computing kpt #: 109 total cpu time spent up to now is 144.6 secs Computing kpt #: 110 total cpu time spent up to now is 145.4 secs Computing kpt #: 111 total cpu time spent up to now is 146.1 secs Computing kpt #: 112 total cpu time spent up to now is 147.0 secs Computing kpt #: 113 total cpu time spent up to now is 147.8 secs Computing kpt #: 114 total cpu time spent up to now is 148.6 secs Computing kpt #: 115 total cpu time spent up to now is 149.3 secs Computing kpt #: 116 total cpu time spent up to now is 150.0 secs Computing kpt #: 117 total cpu time spent up to now is 150.8 secs Computing kpt #: 118 total cpu time spent up to now is 151.5 secs Computing kpt #: 119 total cpu time spent up to now is 152.2 secs Computing kpt #: 120 total cpu 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up to now is 163.9 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 165.2 secs Computing kpt #: 138 total cpu time spent up to now is 165.8 secs Computing kpt #: 139 total cpu time spent up to now is 166.7 secs Computing kpt #: 140 total cpu time spent up to now is 167.5 secs Computing kpt #: 141 total cpu time spent up to now is 168.3 secs Computing kpt #: 142 total cpu time spent up to now is 169.0 secs Computing kpt #: 143 total cpu time spent up to now is 169.9 secs Computing kpt #: 144 total cpu time spent up to now is 170.8 secs Computing kpt #: 145 total cpu time spent up to now is 171.6 secs Computing kpt #: 146 total cpu time spent up to now is 172.4 secs Computing kpt #: 147 total cpu time spent up to now is 173.2 secs Computing kpt #: 148 total cpu time spent up to now is 174.0 secs Computing kpt #: 149 total cpu time spent up to now is 174.8 secs Computing kpt #: 150 total cpu time spent up to now is 175.5 secs Computing kpt #: 151 total cpu time spent up to now is 176.2 secs Computing kpt #: 152 total cpu time spent up to now is 177.0 secs Computing kpt #: 153 total cpu time spent up to now is 177.7 secs Computing kpt #: 154 total cpu time spent up to now is 178.4 secs Computing kpt #: 155 total cpu time spent up to now is 179.2 secs Computing kpt #: 156 total cpu time spent up to now is 179.9 secs Computing kpt #: 157 total cpu time spent up to now is 180.8 secs Computing kpt #: 158 total cpu time spent up to now is 181.5 secs Computing kpt #: 159 total cpu time spent up to now is 182.3 secs Computing kpt #: 160 total cpu time spent up to now is 183.0 secs Computing kpt #: 161 total cpu time spent up to now is 183.7 secs Computing kpt #: 162 total cpu time spent up to now is 184.4 secs Computing kpt #: 163 total cpu time spent up to now is 185.2 secs Computing kpt #: 164 total cpu time spent up to now is 185.9 secs Computing kpt #: 165 total cpu time spent up to now is 186.6 secs Computing kpt #: 166 total cpu time spent up to now is 187.4 secs Computing kpt #: 167 total cpu time spent up to now is 188.1 secs Computing kpt #: 168 total cpu time spent up to now is 188.8 secs Computing kpt #: 169 total cpu time spent up to now is 189.5 secs Computing kpt #: 170 total cpu time spent up to now is 190.2 secs Computing kpt #: 171 total cpu time spent up to now is 190.9 secs Computing kpt #: 172 total cpu time spent up to now is 191.6 secs Computing kpt #: 173 total cpu time spent up to now is 192.3 secs Computing kpt #: 174 total cpu time spent up to now is 193.0 secs Computing kpt #: 175 total cpu time spent up to now is 193.7 secs Computing kpt #: 176 total cpu time spent up to now is 194.5 secs Computing kpt #: 177 total cpu time spent up to now is 195.2 secs Computing kpt #: 178 total cpu time spent up to now is 195.9 secs Computing kpt #: 179 total cpu time spent up to now is 196.6 secs Computing kpt #: 180 total cpu time spent up to now is 197.3 secs 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kpt #: 196 total cpu time spent up to now is 211.3 secs Computing kpt #: 197 total cpu time spent up to now is 212.2 secs Computing kpt #: 198 total cpu time spent up to now is 213.1 secs Computing kpt #: 199 total cpu time spent up to now is 214.0 secs Computing kpt #: 200 total cpu time spent up to now is 214.9 secs Computing kpt #: 201 total cpu time spent up to now is 215.7 secs Computing kpt #: 202 total cpu time spent up to now is 216.5 secs Computing kpt #: 203 total cpu time spent up to now is 217.3 secs Computing kpt #: 204 total cpu time spent up to now is 218.1 secs Computing kpt #: 205 total cpu time spent up to now is 218.9 secs Computing kpt #: 206 total cpu time spent up to now is 219.5 secs Computing kpt #: 207 total cpu time spent up to now is 220.2 secs Computing kpt #: 208 total cpu time spent up to now is 220.8 secs Computing kpt #: 209 total cpu time spent up to now is 221.5 secs Computing kpt #: 210 total cpu time spent up to now is 222.2 secs Computing kpt #: 211 total cpu time spent up to now is 222.9 secs Computing kpt #: 212 total cpu time spent up to now is 223.7 secs Computing kpt #: 213 total cpu time spent up to now is 224.4 secs Computing kpt #: 214 total cpu time spent up to now is 225.0 secs Computing kpt #: 215 total cpu time spent up to now is 225.7 secs Computing kpt #: 216 total cpu time spent up to now is 226.3 secs Computing kpt #: 217 total cpu time spent up to now is 226.9 secs Computing kpt #: 218 total cpu time spent up to now is 227.6 secs Computing kpt #: 219 total cpu time spent up to now is 228.3 secs Computing kpt #: 220 total cpu time spent up to now is 228.9 secs Computing kpt #: 221 total cpu time spent up to now is 230.0 secs Computing kpt #: 222 total cpu time spent up to now is 230.6 secs Computing kpt #: 223 total cpu time spent up to now is 231.2 secs Computing kpt #: 224 total cpu time spent up to now is 231.9 secs Computing kpt #: 225 total cpu time spent up to now is 232.5 secs Computing kpt #: 226 total cpu 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up to now is 242.4 secs Computing kpt #: 242 total cpu time spent up to now is 243.0 secs Computing kpt #: 243 total cpu time spent up to now is 243.6 secs Computing kpt #: 244 total cpu time spent up to now is 244.2 secs Computing kpt #: 245 total cpu time spent up to now is 244.8 secs Computing kpt #: 246 total cpu time spent up to now is 245.4 secs Computing kpt #: 247 total cpu time spent up to now is 246.0 secs Computing kpt #: 248 total cpu time spent up to now is 246.7 secs Computing kpt #: 249 total cpu time spent up to now is 247.5 secs Computing kpt #: 250 total cpu time spent up to now is 248.1 secs Computing kpt #: 251 total cpu time spent up to now is 248.7 secs Computing kpt #: 252 total cpu time spent up to now is 249.4 secs Computing kpt #: 253 total cpu time spent up to now is 250.0 secs Computing kpt #: 254 total cpu time spent up to now is 250.6 secs Computing kpt #: 255 total cpu time spent up to now is 251.2 secs Computing kpt #: 256 total cpu time spent up to now is 251.8 secs Computing kpt #: 257 total cpu time spent up to now is 252.5 secs Computing kpt #: 258 total cpu time spent up to now is 253.2 secs Computing kpt #: 259 total cpu time spent up to now is 253.9 secs Computing kpt #: 260 total cpu time spent up to now is 254.5 secs Computing kpt #: 261 total cpu time spent up to now is 255.3 secs Computing kpt #: 262 total cpu time spent up to now is 255.9 secs Computing kpt #: 263 total cpu time spent up to now is 256.6 secs Computing kpt #: 264 total cpu time spent up to now is 257.3 secs Computing kpt #: 265 total cpu time spent up to now is 258.0 secs Computing kpt #: 266 total cpu time spent up to now is 258.7 secs Computing kpt #: 267 total cpu time spent up to now is 259.4 secs Computing kpt #: 268 total cpu time spent up to now is 260.2 secs Computing kpt #: 269 total cpu time spent up to now is 261.0 secs Computing kpt #: 270 total cpu time spent up to now is 261.7 secs Computing kpt #: 271 total cpu time spent up to now is 262.6 secs Computing kpt #: 272 total cpu time spent up to now is 263.5 secs Computing kpt #: 273 total cpu time spent up to now is 264.5 secs Computing kpt #: 274 total cpu time spent up to now is 265.5 secs Computing kpt #: 275 total cpu time spent up to now is 266.4 secs Computing kpt #: 276 total cpu time spent up to now is 267.4 secs Computing kpt #: 277 total cpu time spent up to now is 268.4 secs Computing kpt #: 278 total cpu time spent up to now is 269.2 secs Computing kpt #: 279 total cpu time spent up to now is 270.1 secs Computing kpt #: 280 total cpu time spent up to now is 271.1 secs Computing kpt #: 281 total cpu time spent up to now is 272.1 secs Computing kpt #: 282 total cpu time spent up to now is 272.9 secs Computing kpt #: 283 total cpu time spent up to now is 273.9 secs Computing kpt #: 284 total cpu time spent up to now is 274.8 secs Computing kpt #: 285 total cpu time spent up to now is 275.6 secs Computing kpt #: 286 total cpu time spent up to now is 276.6 secs 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kpt #: 302 total cpu time spent up to now is 289.5 secs Computing kpt #: 303 total cpu time spent up to now is 290.4 secs Computing kpt #: 304 total cpu time spent up to now is 291.3 secs Computing kpt #: 305 total cpu time spent up to now is 292.2 secs Computing kpt #: 306 total cpu time spent up to now is 293.1 secs Computing kpt #: 307 total cpu time spent up to now is 293.9 secs Computing kpt #: 308 total cpu time spent up to now is 294.8 secs Computing kpt #: 309 total cpu time spent up to now is 295.8 secs Computing kpt #: 310 total cpu time spent up to now is 296.8 secs Computing kpt #: 311 total cpu time spent up to now is 297.6 secs Computing kpt #: 312 total cpu time spent up to now is 298.4 secs Computing kpt #: 313 total cpu time spent up to now is 299.4 secs Computing kpt #: 314 total cpu time spent up to now is 300.3 secs Computing kpt #: 315 total cpu time spent up to now is 301.2 secs Computing kpt #: 316 total cpu time spent up to now is 302.1 secs Computing kpt #: 317 total cpu time spent up to now is 303.1 secs Computing kpt #: 318 total cpu time spent up to now is 303.9 secs Computing kpt #: 319 total cpu time spent up to now is 304.9 secs Computing kpt #: 320 total cpu time spent up to now is 305.8 secs Computing kpt #: 321 total cpu time spent up to now is 306.7 secs Computing kpt #: 322 total cpu time spent up to now is 307.7 secs Computing kpt #: 323 total cpu time spent up to now is 308.5 secs Computing kpt #: 324 total cpu time spent up to now is 309.3 secs Computing kpt #: 325 total cpu time spent up to now is 310.1 secs Computing kpt #: 326 total cpu time spent up to now is 310.9 secs Computing kpt #: 327 total cpu time spent up to now is 311.8 secs Computing kpt #: 328 total cpu time spent up to now is 312.6 secs Computing kpt #: 329 total cpu time spent up to now is 313.5 secs Computing kpt #: 330 total cpu time spent up to now is 314.3 secs Computing kpt #: 331 total cpu time spent up to now is 315.2 secs Computing kpt #: 332 total cpu 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up to now is 327.0 secs Computing kpt #: 348 total cpu time spent up to now is 327.8 secs Computing kpt #: 349 total cpu time spent up to now is 328.4 secs Computing kpt #: 350 total cpu time spent up to now is 329.2 secs Computing kpt #: 351 total cpu time spent up to now is 330.0 secs Computing kpt #: 352 total cpu time spent up to now is 330.8 secs Computing kpt #: 353 total cpu time spent up to now is 331.6 secs Computing kpt #: 354 total cpu time spent up to now is 332.3 secs Computing kpt #: 355 total cpu time spent up to now is 333.1 secs Computing kpt #: 356 total cpu time spent up to now is 335.2 secs Computing kpt #: 357 total cpu time spent up to now is 335.8 secs Computing kpt #: 358 total cpu time spent up to now is 337.2 secs Computing kpt #: 359 total cpu time spent up to now is 338.1 secs Computing kpt #: 360 total cpu time spent up to now is 338.8 secs Computing kpt #: 361 total cpu time spent up to now is 339.5 secs Computing kpt #: 362 total cpu time spent up to now is 340.2 secs Computing kpt #: 363 total cpu time spent up to now is 340.9 secs Computing kpt #: 364 total cpu time spent up to now is 341.6 secs Computing kpt #: 365 total cpu time spent up to now is 342.5 secs Computing kpt #: 366 total cpu time spent up to now is 343.4 secs Computing kpt #: 367 total cpu time spent up to now is 344.0 secs Computing kpt #: 368 total cpu time spent up to now is 344.7 secs Computing kpt #: 369 total cpu time spent up to now is 345.3 secs Computing kpt #: 370 total cpu time spent up to now is 346.0 secs Computing kpt #: 371 total cpu time spent up to now is 346.7 secs Computing kpt #: 372 total cpu time spent up to now is 347.3 secs Computing kpt #: 373 total cpu time spent up to now is 348.0 secs Computing kpt #: 374 total cpu time spent up to now is 348.6 secs Computing kpt #: 375 total cpu time spent up to now is 349.4 secs Computing kpt #: 376 total cpu time spent up to now is 350.1 secs Computing kpt #: 377 total cpu time spent up to now is 350.8 secs Computing kpt #: 378 total cpu time spent up to now is 351.4 secs Computing kpt #: 379 total cpu time spent up to now is 352.1 secs Computing kpt #: 380 total cpu time spent up to now is 352.7 secs Computing kpt #: 381 total cpu time spent up to now is 353.5 secs Computing kpt #: 382 total cpu time spent up to now is 354.2 secs Computing kpt #: 383 total cpu time spent up to now is 356.2 secs Computing kpt #: 384 total cpu time spent up to now is 357.0 secs Computing kpt #: 385 total cpu time spent up to now is 357.6 secs Computing kpt #: 386 total cpu time spent up to now is 358.5 secs Computing kpt #: 387 total cpu time spent up to now is 359.2 secs Computing kpt #: 388 total cpu time spent up to now is 359.9 secs Computing kpt #: 389 total cpu time spent up to now is 361.3 secs Computing kpt #: 390 total cpu time spent up to now is 362.1 secs Computing kpt #: 391 total cpu time spent up to now is 363.0 secs Computing kpt #: 392 total cpu time spent up to now is 363.9 secs Computing kpt #: 393 total cpu time spent up to now is 364.6 secs Computing kpt #: 394 total cpu time spent up to now is 365.4 secs Computing kpt #: 395 total cpu time spent up to now is 366.2 secs Computing kpt #: 396 total cpu time spent up to now is 367.0 secs Computing kpt #: 397 total cpu time spent up to now is 367.8 secs Computing kpt #: 398 total cpu time spent up to now is 368.7 secs Computing kpt #: 399 total cpu time spent up to now is 369.5 secs Computing kpt #: 400 total cpu time spent up to now is 370.2 secs Computing kpt #: 401 total cpu time spent up to now is 371.0 secs Computing kpt #: 402 total cpu time spent up to now is 371.7 secs Computing kpt #: 403 total cpu time spent up to now is 372.5 secs Computing kpt #: 404 total cpu time spent up to now is 373.4 secs Computing kpt #: 405 total cpu time spent up to now is 374.3 secs Computing kpt #: 406 total cpu time spent up to now is 375.2 secs Computing kpt #: 407 total cpu time spent up to now is 376.2 secs Computing kpt #: 408 total cpu time spent up to now is 377.1 secs Computing kpt #: 409 total cpu time spent up to now is 377.9 secs Computing kpt #: 410 total cpu time spent up to now is 378.9 secs Computing kpt #: 411 total cpu time spent up to now is 379.8 secs Computing kpt #: 412 total cpu time spent up to now is 380.9 secs Computing kpt #: 413 total cpu time spent up to now is 381.7 secs Computing kpt #: 414 total cpu time spent up to now is 382.6 secs Computing kpt #: 415 total cpu time spent up to now is 383.5 secs Computing kpt #: 416 total cpu time spent up to now is 384.3 secs Computing kpt #: 417 total cpu time spent up to now is 385.4 secs Computing kpt #: 418 total cpu time spent up to now is 386.2 secs Computing kpt #: 419 total cpu time spent up to now is 386.9 secs Computing kpt #: 420 total cpu time spent up to now is 387.7 secs Computing kpt #: 421 total cpu time spent up to now is 388.5 secs Computing kpt #: 422 total cpu time spent up to now is 389.2 secs Computing kpt #: 423 total cpu time spent up to now is 389.9 secs Computing kpt #: 424 total cpu time spent up to now is 390.6 secs Computing kpt #: 425 total cpu time spent up to now is 391.3 secs Computing kpt #: 426 total cpu time spent up to now is 392.1 secs Computing kpt #: 427 total cpu time spent up to now is 392.8 secs Computing kpt #: 428 total cpu time spent up to now is 393.4 secs Computing kpt #: 429 total cpu time spent up to now is 394.4 secs Computing kpt #: 430 total cpu time spent up to now is 395.3 secs Computing kpt #: 431 total cpu time spent up to now is 396.2 secs Computing kpt #: 432 total cpu time spent up to now is 397.2 secs Computing kpt #: 433 total cpu time spent up to now is 398.1 secs Computing kpt #: 434 total cpu time spent up to now is 399.0 secs Computing kpt #: 435 total cpu time spent up to now is 400.0 secs Computing kpt #: 436 total cpu time spent up to now is 400.9 secs Computing kpt #: 437 total cpu time spent up to now is 401.7 secs Computing kpt #: 438 total cpu time spent up to now is 402.5 secs Computing kpt #: 439 total cpu time spent up to now is 403.4 secs Computing kpt #: 440 total cpu time spent up to now is 404.2 secs Computing kpt #: 441 total cpu time spent up to now is 404.9 secs Computing kpt #: 442 total cpu time spent up to now is 405.6 secs Computing kpt #: 443 total cpu time spent up to now is 406.4 secs Computing kpt #: 444 total cpu time spent up to now is 407.1 secs Computing kpt #: 445 total cpu time spent up to now is 407.7 secs Computing kpt #: 446 total cpu time spent up to now is 408.4 secs Computing kpt #: 447 total cpu time spent up to now is 409.2 secs Computing kpt #: 448 total cpu time spent up to now is 410.0 secs Computing kpt #: 449 total cpu time spent up to now is 410.6 secs Computing kpt #: 450 total cpu time spent up to now is 411.2 secs Computing kpt #: 451 total cpu time spent up to now is 411.9 secs Computing kpt #: 452 total cpu time spent up to now is 412.5 secs Computing kpt #: 453 total cpu time spent up to now is 413.1 secs Computing kpt #: 454 total cpu time spent up to now is 413.8 secs Computing kpt #: 455 total cpu time spent up to now is 414.4 secs Computing kpt #: 456 total cpu time spent up to now is 415.1 secs Computing kpt #: 457 total cpu time spent up to now is 416.0 secs Computing kpt #: 458 total cpu time spent up to now is 416.6 secs Computing kpt #: 459 total cpu time spent up to now is 417.2 secs ethr = 3.85E-11, avg # of iterations = 28.7 total cpu time spent up to now is 417.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3269 PWs) bands (ev): -47.3222 -47.3222 -22.1522 -22.1522 -19.3760 -19.3760 -19.2087 -19.2087 -19.1807 -19.1807 -17.4443 -17.4443 -7.5806 -7.5806 -4.5446 -4.5446 -4.0550 -4.0550 -3.7796 -3.7796 0.1268 0.1268 0.9049 0.9049 1.6746 1.6746 5.1000 5.1000 8.3460 8.3460 12.7668 12.7668 14.4003 14.4003 k =-0.0056 0.0048 0.0112 ( 3273 PWs) bands (ev): -47.3222 -47.3222 -22.1521 -22.1521 -19.3761 -19.3759 -19.2088 -19.2086 -19.1810 -19.1806 -17.4444 -17.4444 -7.5805 -7.5805 -4.5445 -4.5445 -4.0561 -4.0550 -3.7805 -3.7793 0.1262 0.1263 0.9050 0.9051 1.6749 1.6751 5.0992 5.0993 8.3478 8.3479 12.7667 12.7667 14.4024 14.4024 k =-0.0111 0.0096 0.0225 ( 3277 PWs) bands (ev): -47.3222 -47.3222 -22.1520 -22.1519 -19.3762 -19.3758 -19.2089 -19.2085 -19.1813 -19.1805 -17.4445 -17.4445 -7.5804 -7.5804 -4.5440 -4.5440 -4.0584 -4.0561 -3.7818 -3.7793 0.1246 0.1247 0.9054 0.9056 1.6762 1.6764 5.0968 5.0970 8.3532 8.3535 12.7664 12.7665 14.4086 14.4087 k =-0.0167 0.0144 0.0337 ( 3273 PWs) bands (ev): -47.3222 -47.3222 -22.1516 -22.1516 -19.3763 -19.3756 -19.2089 -19.2083 -19.1815 -19.1803 -17.4448 -17.4448 -7.5802 -7.5802 -4.5432 -4.5431 -4.0618 -4.0585 -3.7834 -3.7798 0.1220 0.1222 0.9062 0.9065 1.6783 1.6787 5.0928 5.0931 8.3623 8.3627 12.7660 12.7661 14.4190 14.4190 k =-0.0223 0.0192 0.0450 ( 3273 PWs) bands (ev): -47.3222 -47.3222 -22.1512 -22.1512 -19.3764 -19.3755 -19.2089 -19.2082 -19.1818 -19.1802 -17.4451 -17.4451 -7.5800 -7.5800 -4.5420 -4.5420 -4.0664 -4.0620 -3.7854 -3.7806 0.1184 0.1186 0.9074 0.9077 1.6813 1.6817 5.0873 5.0878 8.3750 8.3755 12.7654 12.7656 14.4334 14.4334 k =-0.0279 0.0240 0.0562 ( 3273 PWs) bands (ev): -47.3221 -47.3221 -22.1507 -22.1506 -19.3764 -19.3753 -19.2089 -19.2080 -19.1822 -19.1801 -17.4455 -17.4455 -7.5797 -7.5796 -4.5406 -4.5405 -4.0721 -4.0667 -3.7876 -3.7817 0.1137 0.1140 0.9088 0.9093 1.6851 1.6856 5.0804 5.0809 8.3912 8.3919 12.7646 12.7648 14.4517 14.4517 k =-0.0334 0.0288 0.0675 ( 3273 PWs) bands (ev): -47.3221 -47.3221 -22.1500 -22.1499 -19.3765 -19.3751 -19.2088 -19.2077 -19.1826 -19.1801 -17.4459 -17.4459 -7.5793 -7.5792 -4.5388 -4.5388 -4.0791 -4.0727 -3.7900 -3.7831 0.1081 0.1085 0.9106 0.9111 1.6896 1.6903 5.0720 5.0726 8.4110 8.4119 12.7636 12.7638 14.4739 14.4739 k =-0.0390 0.0336 0.0787 ( 3277 PWs) bands (ev): -47.3221 -47.3221 -22.1492 -22.1491 -19.3765 -19.3749 -19.2088 -19.2075 -19.1830 -19.1802 -17.4465 -17.4465 -7.5788 -7.5788 -4.5367 -4.5367 -4.0873 -4.0801 -3.7925 -3.7846 0.1016 0.1020 0.9127 0.9133 1.6950 1.6957 5.0623 5.0630 8.4343 8.4352 12.7623 12.7626 14.4997 14.4997 k =-0.0446 0.0384 0.0900 ( 3269 PWs) bands (ev): -47.3220 -47.3220 -22.1482 -22.1482 -19.3765 -19.3747 -19.2086 -19.2072 -19.1834 -19.1802 -17.4472 -17.4472 -7.5783 -7.5783 -4.5343 -4.5343 -4.0966 -4.0887 -3.7950 -3.7863 0.0942 0.0947 0.9152 0.9159 1.7010 1.7019 5.0513 5.0521 8.4610 8.4620 12.7607 12.7611 14.5289 14.5290 k =-0.0501 0.0432 0.1012 ( 3273 PWs) bands (ev): -47.3220 -47.3220 -22.1472 -22.1471 -19.3766 -19.3745 -19.2085 -19.2070 -19.1838 -19.1802 -17.4479 -17.4479 -7.5778 -7.5777 -4.5316 -4.5316 -4.1072 -4.0986 -3.7975 -3.7880 0.0859 0.0864 0.9180 0.9188 1.7078 1.7088 5.0391 5.0399 8.4910 8.4921 12.7588 12.7592 14.5613 14.5613 k =-0.0557 0.0480 0.1125 ( 3277 PWs) bands (ev): -47.3220 -47.3220 -22.1461 -22.1460 -19.3766 -19.3743 -19.2084 -19.2067 -19.1843 -19.1803 -17.4487 -17.4487 -7.5772 -7.5772 -4.5286 -4.5286 -4.1191 -4.1100 -3.7998 -3.7897 0.0768 0.0774 0.9211 0.9219 1.7152 1.7163 5.0258 5.0267 8.5242 8.5255 12.7565 12.7569 14.5963 14.5963 k =-0.0613 0.0528 0.1237 ( 3279 PWs) bands (ev): -47.3219 -47.3219 -22.1448 -22.1447 -19.3766 -19.3741 -19.2083 -19.2064 -19.1847 -19.1804 -17.4496 -17.4496 -7.5767 -7.5766 -4.5254 -4.5253 -4.1322 -4.1226 -3.8019 -3.7913 0.0670 0.0677 0.9245 0.9254 1.7232 1.7244 5.0115 5.0125 8.5606 8.5620 12.7538 12.7542 14.6332 14.6332 k =-0.0669 0.0576 0.1350 ( 3287 PWs) bands (ev): -47.3219 -47.3219 -22.1435 -22.1434 -19.3767 -19.3739 -19.2082 -19.2062 -19.1852 -19.1806 -17.4506 -17.4506 -7.5761 -7.5760 -4.5218 -4.5218 -4.1464 -4.1365 -3.8038 -3.7927 0.0566 0.0573 0.9282 0.9292 1.7318 1.7330 4.9962 4.9973 8.6001 8.6015 12.7506 12.7510 14.6712 14.6712 k =-0.0724 0.0623 0.1462 ( 3287 PWs) bands (ev): -47.3219 -47.3219 -22.1420 -22.1419 -19.3767 -19.3737 -19.2080 -19.2059 -19.1857 -19.1807 -17.4517 -17.4516 -7.5755 -7.5754 -4.5180 -4.5179 -4.1617 -4.1515 -3.8054 -3.7940 0.0454 0.0462 0.9323 0.9333 1.7408 1.7421 4.9802 4.9813 8.6425 8.6440 12.7469 12.7474 14.7089 14.7089 k =-0.0780 0.0671 0.1574 ( 3291 PWs) bands (ev): -47.3218 -47.3218 -22.1405 -22.1404 -19.3767 -19.3735 -19.2078 -19.2057 -19.1862 -19.1809 -17.4528 -17.4528 -7.5749 -7.5749 -4.5139 -4.5139 -4.1780 -4.1677 -3.8067 -3.7951 0.0338 0.0346 0.9366 0.9377 1.7503 1.7516 4.9635 4.9647 8.6878 8.6893 12.7426 12.7431 14.7439 14.7439 k =-0.0836 0.0719 0.1687 ( 3287 PWs) bands (ev): -47.3218 -47.3218 -22.1388 -22.1387 -19.3767 -19.3733 -19.2076 -19.2054 -19.1866 -19.1810 -17.4540 -17.4540 -7.5744 -7.5743 -4.5096 -4.5095 -4.1953 -4.1850 -3.8077 -3.7960 0.0218 0.0226 0.9412 0.9424 1.7601 1.7615 4.9463 4.9475 8.7358 8.7374 12.7376 12.7382 14.7728 14.7729 k =-0.0891 0.0767 0.1799 ( 3285 PWs) bands (ev): -47.3217 -47.3217 -22.1371 -22.1370 -19.3768 -19.3731 -19.2074 -19.2052 -19.1870 -19.1811 -17.4552 -17.4552 -7.5739 -7.5738 -4.5050 -4.5050 -4.2135 -4.2031 -3.8085 -3.7967 0.0093 0.0102 0.9462 0.9474 1.7703 1.7718 4.9286 4.9298 8.7865 8.7881 12.7320 12.7326 14.7905 14.7906 k =-0.0947 0.0815 0.1912 ( 3289 PWs) bands (ev): -47.3217 -47.3217 -22.1353 -22.1352 -19.3768 -19.3729 -19.2073 -19.2050 -19.1874 -19.1813 -17.4565 -17.4565 -7.5734 -7.5734 -4.5002 -4.5002 -4.2324 -4.2221 -3.8090 -3.7972 -0.0036 -0.0026 0.9514 0.9527 1.7808 1.7823 4.9105 4.9118 8.8397 8.8413 12.7256 12.7263 14.7905 14.7910 k =-0.1003 0.0863 0.2024 ( 3285 PWs) bands (ev): -47.3216 -47.3216 -22.1335 -22.1333 -19.3768 -19.3727 -19.2071 -19.2048 -19.1877 -19.1814 -17.4579 -17.4579 -7.5731 -7.5730 -4.4952 -4.4952 -4.2520 -4.2418 -3.8092 -3.7975 -0.0166 -0.0156 0.9569 0.9582 1.7915 1.7930 4.8923 4.8936 8.8952 8.8969 12.7185 12.7192 14.7712 14.7715 k =-0.1059 0.0911 0.2137 ( 3285 PWs) bands (ev): -47.3215 -47.3215 -22.1316 -22.1314 -19.3769 -19.3725 -19.2069 -19.2047 -19.1881 -19.1816 -17.4593 -17.4593 -7.5728 -7.5728 -4.4900 -4.4900 -4.2721 -4.2621 -3.8092 -3.7976 -0.0299 -0.0289 0.9627 0.9641 1.8023 1.8039 4.8739 4.8753 8.9531 8.9547 12.7105 12.7112 14.7296 14.7299 k =-0.1114 0.0959 0.2249 ( 3281 PWs) bands (ev): -47.3215 -47.3215 -22.1296 -22.1294 -19.3770 -19.3723 -19.2067 -19.2046 -19.1883 -19.1817 -17.4608 -17.4608 -7.5727 -7.5726 -4.4846 -4.4846 -4.2927 -4.2828 -3.8091 -3.7976 -0.0432 -0.0422 0.9687 0.9702 1.8133 1.8149 4.8556 4.8570 9.0131 9.0147 12.7017 12.7024 14.6701 14.6704 k =-0.1170 0.1007 0.2362 ( 3283 PWs) bands (ev): -47.3214 -47.3214 -22.1275 -22.1274 -19.3771 -19.3722 -19.2065 -19.2046 -19.1886 -19.1819 -17.4623 -17.4623 -7.5726 -7.5726 -4.4791 -4.4790 -4.3135 -4.3039 -3.8088 -3.7974 -0.0566 -0.0555 0.9750 0.9765 1.8244 1.8259 4.8374 4.8388 9.0751 9.0767 12.6919 12.6927 14.5983 14.5985 k =-0.1226 0.1055 0.2474 ( 3283 PWs) bands (ev): -47.3213 -47.3213 -22.1255 -22.1253 -19.3772 -19.3721 -19.2064 -19.2046 -19.1888 -19.1820 -17.4639 -17.4639 -7.5727 -7.5727 -4.4734 -4.4733 -4.3345 -4.3251 -3.8083 -3.7971 -0.0699 -0.0687 0.9816 0.9831 1.8354 1.8369 4.8194 4.8208 9.1391 9.1407 12.6811 12.6820 14.5187 14.5187 k =-0.1281 0.1103 0.2587 ( 3283 PWs) bands (ev): -47.3213 -47.3213 -22.1233 -22.1231 -19.3773 -19.3720 -19.2063 -19.2046 -19.1889 -19.1822 -17.4655 -17.4655 -7.5730 -7.5730 -4.4675 -4.4675 -4.3556 -4.3464 -3.8078 -3.7968 -0.0831 -0.0819 0.9884 0.9900 1.8464 1.8480 4.8018 4.8032 9.2048 9.2063 12.6694 12.6703 14.4341 14.4344 k =-0.1337 0.1151 0.2699 ( 3285 PWs) bands (ev): -47.3212 -47.3212 -22.1212 -22.1210 -19.3774 -19.3719 -19.2061 -19.2048 -19.1890 -19.1823 -17.4671 -17.4671 -7.5734 -7.5734 -4.4615 -4.4615 -4.3766 -4.3677 -3.8072 -3.7964 -0.0961 -0.0948 0.9954 0.9971 1.8574 1.8589 4.7846 4.7860 9.2721 9.2737 12.6567 12.6576 14.3469 14.3473 k =-0.1393 0.1199 0.2812 ( 3283 PWs) bands (ev): -47.3212 -47.3212 -22.1190 -22.1188 -19.3775 -19.3718 -19.2061 -19.2050 -19.1891 -19.1824 -17.4688 -17.4688 -7.5740 -7.5740 -4.4554 -4.4553 -4.3975 -4.3888 -3.8065 -3.7959 -0.1088 -0.1075 1.0027 1.0044 1.8683 1.8698 4.7679 4.7694 9.3410 9.3425 12.6429 12.6439 14.2583 14.2590 k =-0.1449 0.1247 0.2924 ( 3277 PWs) bands (ev): -47.3211 -47.3211 -22.1168 -22.1166 -19.3777 -19.3717 -19.2060 -19.2052 -19.1890 -19.1825 -17.4705 -17.4705 -7.5749 -7.5748 -4.4493 -4.4491 -4.4180 -4.4097 -3.8058 -3.7955 -0.1211 -0.1198 1.0102 1.0119 1.8790 1.8805 4.7520 4.7535 9.4113 9.4127 12.6280 12.6291 14.1693 14.1702 k =-0.1504 0.1295 0.3037 ( 3285 PWs) bands (ev): -47.3210 -47.3210 -22.1146 -22.1144 -19.3779 -19.3718 -19.2060 -19.2054 -19.1891 -19.1826 -17.4722 -17.4722 -7.5759 -7.5759 -4.4441 -4.4428 -4.4371 -4.4301 -3.8052 -3.7951 -0.1330 -0.1316 1.0178 1.0196 1.8895 1.8910 4.7368 4.7383 9.4828 9.4842 12.6121 12.6132 14.0805 14.0817 k =-0.1560 0.1343 0.3149 ( 3281 PWs) bands (ev): -47.3210 -47.3210 -22.1124 -22.1122 -19.3781 -19.3717 -19.2060 -19.2057 -19.1890 -19.1827 -17.4739 -17.4739 -7.5772 -7.5771 -4.4586 -4.4502 -4.4364 -4.4360 -3.8046 -3.7947 -0.1444 -0.1430 1.0257 1.0275 1.8999 1.9013 4.7224 4.7239 9.5555 9.5567 12.5951 12.5962 13.9925 13.9939 k =-0.1616 0.1391 0.3261 ( 3279 PWs) bands (ev): -47.3209 -47.3209 -22.1102 -22.1099 -19.3783 -19.3717 -19.2061 -19.2060 -19.1890 -19.1827 -17.4757 -17.4757 -7.5787 -7.5787 -4.4776 -4.4696 -4.4300 -4.4297 -3.8040 -3.7943 -0.1553 -0.1538 1.0338 1.0356 1.9100 1.9113 4.7089 4.7104 9.6291 9.6303 12.5770 12.5782 13.9055 13.9071 k =-0.1671 0.1439 0.3374 ( 3277 PWs) bands (ev): -47.3208 -47.3208 -22.1080 -22.1077 -19.3785 -19.3718 -19.2064 -19.2060 -19.1889 -19.1828 -17.4774 -17.4774 -7.5805 -7.5804 -4.4961 -4.4883 -4.4235 -4.4233 -3.8036 -3.7940 -0.1655 -0.1640 1.0420 1.0439 1.9198 1.9211 4.6964 4.6980 9.7036 9.7047 12.5579 12.5591 13.8198 13.8216 k =-0.1727 0.1487 0.3486 ( 3285 PWs) bands (ev): -47.3208 -47.3208 -22.1058 -22.1055 -19.3788 -19.3719 -19.2068 -19.2062 -19.1888 -19.1829 -17.4792 -17.4792 -7.5826 -7.5825 -4.5139 -4.5064 -4.4170 -4.4168 -3.8032 -3.7939 -0.1750 -0.1735 1.0504 1.0524 1.9293 1.9306 4.6850 4.6865 9.7788 9.7798 12.5377 12.5390 13.7356 13.7376 k =-0.1783 0.1535 0.3599 ( 3279 PWs) bands (ev): -47.3207 -47.3207 -22.1036 -22.1034 -19.3790 -19.3720 -19.2072 -19.2063 -19.1888 -19.1829 -17.4810 -17.4809 -7.5850 -7.5848 -4.5308 -4.5235 -4.4105 -4.4103 -3.8030 -3.7939 -0.1838 -0.1822 1.0590 1.0610 1.9386 1.9397 4.6747 4.6763 9.8545 9.8554 12.5165 12.5178 13.6532 13.6553 k =-0.1839 0.1583 0.3711 ( 3291 PWs) bands (ev): -47.3207 -47.3207 -22.1015 -22.1012 -19.3793 -19.3721 -19.2077 -19.2065 -19.1888 -19.1830 -17.4827 -17.4827 -7.5876 -7.5874 -4.5469 -4.5398 -4.4040 -4.4038 -3.8029 -3.7940 -0.1919 -0.1902 1.0677 1.0697 1.9474 1.9485 4.6656 4.6672 9.9306 9.9314 12.4942 12.4956 13.5725 13.5748 k =-0.1894 0.1631 0.3824 ( 3295 PWs) bands (ev): -47.3207 -47.3207 -22.0994 -22.0991 -19.3796 -19.3723 -19.2081 -19.2067 -19.1888 -19.1831 -17.4844 -17.4844 -7.5906 -7.5904 -4.5620 -4.5551 -4.3975 -4.3973 -3.8029 -3.7942 -0.1990 -0.1973 1.0765 1.0786 1.9560 1.9570 4.6578 4.6593 10.0070 10.0076 12.4710 12.4724 13.4937 13.4962 k =-0.1950 0.1679 0.3936 ( 3295 PWs) bands (ev): -47.3206 -47.3206 -22.0973 -22.0970 -19.3799 -19.3725 -19.2086 -19.2070 -19.1887 -19.1832 -17.4862 -17.4861 -7.5938 -7.5936 -4.5760 -4.5693 -4.3910 -4.3907 -3.8032 -3.7946 -0.2053 -0.2036 1.0855 1.0876 1.9641 1.9651 4.6512 4.6528 10.0834 10.0839 12.4468 12.4482 13.4170 13.4197 k =-0.2006 0.1727 0.4049 ( 3295 PWs) bands (ev): -47.3206 -47.3206 -22.0953 -22.0950 -19.3802 -19.3726 -19.2090 -19.2072 -19.1888 -19.1833 -17.4879 -17.4879 -7.5974 -7.5972 -4.5889 -4.5824 -4.3845 -4.3843 -3.8036 -3.7952 -0.2106 -0.2089 1.0946 1.0967 1.9719 1.9728 4.6461 4.6477 10.1597 10.1600 12.4216 12.4231 13.3424 13.3452 k =-0.2061 0.1775 0.4161 ( 3293 PWs) bands (ev): -47.3205 -47.3205 -22.0933 -22.0930 -19.3805 -19.3728 -19.2094 -19.2075 -19.1888 -19.1834 -17.4895 -17.4895 -7.6013 -7.6011 -4.6007 -4.5944 -4.3781 -4.3779 -3.8042 -3.7960 -0.2150 -0.2132 1.1037 1.1059 1.9793 1.9801 4.6423 4.6439 10.2356 10.2358 12.3955 12.3970 13.2701 13.2730 k =-0.2117 0.1822 0.4274 ( 3285 PWs) bands (ev): -47.3205 -47.3205 -22.0914 -22.0911 -19.3807 -19.3730 -19.2098 -19.2078 -19.1889 -19.1835 -17.4912 -17.4912 -7.6056 -7.6053 -4.6112 -4.6050 -4.3718 -4.3715 -3.8050 -3.7970 -0.2183 -0.2164 1.1130 1.1151 1.9863 1.9871 4.6400 4.6416 10.3111 10.3111 12.3685 12.3700 13.2000 13.2031 k =-0.2173 0.1870 0.4386 ( 3283 PWs) bands (ev): -47.3204 -47.3204 -22.0895 -22.0892 -19.3810 -19.3732 -19.2102 -19.2081 -19.1891 -19.1836 -17.4928 -17.4928 -7.6101 -7.6098 -4.6205 -4.6145 -4.3655 -4.3653 -3.8061 -3.7983 -0.2206 -0.2187 1.1223 1.1245 1.9930 1.9936 4.6391 4.6407 10.3856 10.3858 12.3406 12.3420 13.1324 13.1355 k =-0.2229 0.1918 0.4499 ( 3279 PWs) bands (ev): -47.3204 -47.3204 -22.0877 -22.0874 -19.3813 -19.3735 -19.2106 -19.2085 -19.1892 -19.1838 -17.4944 -17.4944 -7.6150 -7.6147 -4.6285 -4.6226 -4.3593 -4.3591 -3.8073 -3.7997 -0.2219 -0.2199 1.1316 1.1339 1.9992 1.9997 4.6397 4.6413 10.4591 10.4595 12.3118 12.3132 13.0672 13.0705 k =-0.2284 0.1966 0.4611 ( 3283 PWs) bands (ev): -47.3204 -47.3204 -22.0860 -22.0856 -19.3817 -19.3738 -19.2110 -19.2090 -19.1895 -19.1839 -17.4960 -17.4960 -7.6203 -7.6199 -4.6352 -4.6295 -4.3533 -4.3530 -3.8089 -3.8014 -0.2220 -0.2200 1.1410 1.1433 2.0050 2.0055 4.6417 4.6434 10.5313 10.5319 12.2821 12.2834 13.0047 13.0081 k =-0.2340 0.2014 0.4723 ( 3291 PWs) bands (ev): -47.3204 -47.3204 -22.0843 -22.0840 -19.3821 -19.3741 -19.2115 -19.2095 -19.1897 -19.1841 -17.4975 -17.4975 -7.6258 -7.6254 -4.6405 -4.6350 -4.3473 -4.3470 -3.8106 -3.8033 -0.2211 -0.2191 1.1504 1.1527 2.0104 2.0108 4.6453 4.6469 10.6020 10.6028 12.2515 12.2528 12.9448 12.9483 k =-0.2396 0.2062 0.4836 ( 3287 PWs) bands (ev): -47.3204 -47.3204 -22.0827 -22.0824 -19.3824 -19.3744 -19.2118 -19.2100 -19.1900 -19.1843 -17.4990 -17.4990 -7.6317 -7.6313 -4.6444 -4.6390 -4.3414 -4.3411 -3.8126 -3.8055 -0.2191 -0.2170 1.1598 1.1622 2.0154 2.0157 4.6504 4.6520 10.6708 10.6718 12.2201 12.2212 12.8878 12.8914 k =-0.2451 0.2110 0.4948 ( 3283 PWs) bands (ev): -47.3203 -47.3203 -22.0812 -22.0808 -19.3827 -19.3748 -19.2122 -19.2105 -19.1903 -19.1845 -17.5004 -17.5004 -7.6379 -7.6375 -4.6470 -4.6417 -4.3357 -4.3354 -3.8149 -3.8079 -0.2159 -0.2138 1.1693 1.1716 2.0200 2.0202 4.6570 4.6586 10.7374 10.7386 12.1878 12.1888 12.8337 12.8373 k =-0.2507 0.2158 0.5061 ( 3289 PWs) bands (ev): -47.3203 -47.3203 -22.0798 -22.0794 -19.3831 -19.3752 -19.2126 -19.2111 -19.1907 -19.1847 -17.5018 -17.5018 -7.6445 -7.6440 -4.6482 -4.6430 -4.3301 -4.3297 -3.8174 -3.8106 -0.2116 -0.2095 1.1787 1.1811 2.0243 2.0244 4.6650 4.6667 10.8014 10.8029 12.1547 12.1556 12.7826 12.7862 k =-0.2563 0.2206 0.5173 ( 3281 PWs) bands (ev): -47.3203 -47.3203 -22.0784 -22.0780 -19.3835 -19.3755 -19.2130 -19.2116 -19.1911 -19.1849 -17.5031 -17.5031 -7.6513 -7.6508 -4.6479 -4.6429 -4.3246 -4.3242 -3.8202 -3.8135 -0.2062 -0.2040 1.1881 1.1905 2.0281 2.0281 4.6746 4.6763 10.8623 10.8641 12.1209 12.1215 12.7346 12.7382 k =-0.2619 0.2254 0.5286 ( 3285 PWs) bands (ev): -47.3203 -47.3203 -22.0771 -22.0768 -19.3839 -19.3760 -19.2134 -19.2123 -19.1915 -19.1851 -17.5044 -17.5044 -7.6584 -7.6579 -4.6463 -4.6414 -4.3192 -4.3189 -3.8232 -3.8167 -0.1997 -0.1975 1.1974 1.1999 2.0314 2.0315 4.6857 4.6873 10.9198 10.9219 12.0864 12.0868 12.6896 12.6932 k =-0.2674 0.2302 0.5398 ( 3277 PWs) bands (ev): -47.3203 -47.3203 -22.0759 -22.0756 -19.3842 -19.3764 -19.2138 -19.2129 -19.1919 -19.1853 -17.5056 -17.5056 -7.6658 -7.6652 -4.6432 -4.6384 -4.3140 -4.3136 -3.8265 -3.8200 -0.1921 -0.1898 1.2068 1.2092 2.0345 2.0346 4.6982 4.6998 10.9734 10.9758 12.0513 12.0515 12.6477 12.6513 k =-0.2730 0.2350 0.5511 ( 3269 PWs) bands (ev): -47.3203 -47.3203 -22.0748 -22.0744 -19.3846 -19.3768 -19.2142 -19.2136 -19.1923 -19.1855 -17.5068 -17.5068 -7.6735 -7.6729 -4.6388 -4.6341 -4.3090 -4.3085 -3.8299 -3.8237 -0.1834 -0.1811 1.2160 1.2185 2.0371 2.0373 4.7121 4.7137 11.0226 11.0253 12.0159 12.0159 12.6087 12.6123 k =-0.2786 0.2398 0.5623 ( 3271 PWs) bands (ev): -47.3203 -47.3203 -22.0738 -22.0734 -19.3850 -19.3773 -19.2146 -19.2144 -19.1928 -19.1857 -17.5079 -17.5079 -7.6814 -7.6808 -4.6330 -4.6284 -4.3041 -4.3036 -3.8337 -3.8276 -0.1736 -0.1713 1.2251 1.2277 2.0394 2.0397 4.7273 4.7290 11.0668 11.0698 11.9801 11.9804 12.5727 12.5762 k =-0.2841 0.2446 0.5736 ( 3269 PWs) bands (ev): -47.3203 -47.3203 -22.0729 -22.0725 -19.3854 -19.3778 -19.2151 -19.2151 -19.1932 -19.1859 -17.5090 -17.5090 -7.6896 -7.6889 -4.6258 -4.6213 -4.2993 -4.2989 -3.8377 -3.8317 -0.1628 -0.1604 1.2342 1.2367 2.0414 2.0417 4.7440 4.7456 11.1056 11.1089 11.9444 11.9450 12.5393 12.5428 k =-0.2897 0.2494 0.5848 ( 3269 PWs) bands (ev): -47.3203 -47.3203 -22.0720 -22.0716 -19.3858 -19.3783 -19.2159 -19.2155 -19.1936 -19.1862 -17.5100 -17.5100 -7.6979 -7.6973 -4.6173 -4.6130 -4.2947 -4.2943 -3.8419 -3.8360 -0.1510 -0.1486 1.2431 1.2457 2.0430 2.0434 4.7619 4.7635 11.1383 11.1419 11.9091 11.9099 12.5083 12.5117 k =-0.2953 0.2542 0.5961 ( 3269 PWs) bands (ev): -47.3204 -47.3204 -22.0713 -22.0709 -19.3863 -19.3789 -19.2168 -19.2160 -19.1941 -19.1864 -17.5109 -17.5109 -7.7065 -7.7059 -4.6076 -4.6033 -4.2903 -4.2898 -3.8463 -3.8405 -0.1383 -0.1358 1.2519 1.2545 2.0443 2.0448 4.7810 4.7826 11.1647 11.1685 11.8745 11.8755 12.4794 12.4828 k =-0.3009 0.2590 0.6073 ( 3273 PWs) bands (ev): -47.3204 -47.3204 -22.0706 -22.0702 -19.3868 -19.3795 -19.2177 -19.2166 -19.1945 -19.1866 -17.5118 -17.5118 -7.7153 -7.7146 -4.5966 -4.5925 -4.2860 -4.2856 -3.8509 -3.8453 -0.1246 -0.1221 1.2606 1.2632 2.0453 2.0459 4.8013 4.8030 11.1842 11.1882 11.8407 11.8420 12.4523 12.4556 k =-0.3064 0.2638 0.6185 ( 3265 PWs) bands (ev): -47.3204 -47.3204 -22.0700 -22.0696 -19.3872 -19.3801 -19.2185 -19.2171 -19.1948 -19.1867 -17.5127 -17.5127 -7.7242 -7.7235 -4.5844 -4.5803 -4.2819 -4.2814 -3.8557 -3.8502 -0.1099 -0.1074 1.2692 1.2718 2.0461 2.0467 4.8228 4.8245 11.1967 11.2008 11.8080 11.8094 12.4267 12.4298 k =-0.3120 0.2686 0.6298 ( 3253 PWs) bands (ev): -47.3204 -47.3204 -22.0694 -22.0690 -19.3876 -19.3807 -19.2194 -19.2176 -19.1951 -19.1868 -17.5134 -17.5134 -7.7332 -7.7325 -4.5711 -4.5671 -4.2779 -4.2774 -3.8607 -3.8552 -0.0944 -0.0919 1.2776 1.2802 2.0466 2.0473 4.8454 4.8470 11.2021 11.2063 11.7763 11.7778 12.4020 12.4050 k =-0.3176 0.2734 0.6410 ( 3253 PWs) bands (ev): -47.3204 -47.3204 -22.0690 -22.0686 -19.3882 -19.3814 -19.2203 -19.2182 -19.1954 -19.1870 -17.5142 -17.5142 -7.7424 -7.7417 -4.5567 -4.5527 -4.2741 -4.2736 -3.8658 -3.8605 -0.0781 -0.0756 1.2858 1.2884 2.0468 2.0475 4.8689 4.8705 11.2006 11.2048 11.7455 11.7469 12.3780 12.3809 k =-0.3231 0.2782 0.6523 ( 3255 PWs) bands (ev): -47.3205 -47.3205 -22.0686 -22.0682 -19.3887 -19.3821 -19.2213 -19.2189 -19.1956 -19.1871 -17.5148 -17.5148 -7.7517 -7.7509 -4.5412 -4.5374 -4.2705 -4.2700 -3.8711 -3.8659 -0.0611 -0.0586 1.2939 1.2965 2.0468 2.0475 4.8933 4.8948 11.1926 11.1968 11.7151 11.7164 12.3543 12.3570 k =-0.3287 0.2830 0.6635 ( 3255 PWs) bands (ev): -47.3205 -47.3205 -22.0683 -22.0679 -19.3893 -19.3828 -19.2222 -19.2196 -19.1958 -19.1872 -17.5155 -17.5155 -7.7610 -7.7602 -4.5249 -4.5211 -4.2670 -4.2665 -3.8765 -3.8714 -0.0435 -0.0409 1.3018 1.3044 2.0465 2.0473 4.9185 4.9201 11.1788 11.1827 11.6846 11.6858 12.3307 12.3333 k =-0.3343 0.2878 0.6748 ( 3258 PWs) bands (ev): -47.3206 -47.3206 -22.0681 -22.0677 -19.3899 -19.3836 -19.2232 -19.2203 -19.1959 -19.1873 -17.5161 -17.5160 -7.7703 -7.7696 -4.5076 -4.5039 -4.2636 -4.2631 -3.8820 -3.8770 -0.0252 -0.0226 1.3094 1.3121 2.0461 2.0469 4.9445 4.9460 11.1598 11.1635 11.6534 11.6544 12.3071 12.3095 k =-0.3399 0.2926 0.6860 ( 3256 PWs) bands (ev): -47.3206 -47.3206 -22.0679 -22.0675 -19.3904 -19.3844 -19.2242 -19.2211 -19.1960 -19.1873 -17.5166 -17.5166 -7.7797 -7.7789 -4.4895 -4.4858 -4.2604 -4.2599 -3.8876 -3.8827 -0.0064 -0.0037 1.3169 1.3196 2.0455 2.0463 4.9712 4.9727 11.1365 11.1399 11.6207 11.6215 12.2834 12.2856 k =-0.3454 0.2974 0.6973 ( 3260 PWs) bands (ev): -47.3207 -47.3207 -22.0678 -22.0674 -19.3911 -19.3853 -19.2251 -19.2219 -19.1960 -19.1874 -17.5171 -17.5171 -7.7891 -7.7883 -4.4707 -4.4670 -4.2574 -4.2569 -3.8933 -3.8885 0.0130 0.0156 1.3242 1.3268 2.0446 2.0455 4.9984 4.9999 11.1096 11.1127 11.5860 11.5866 12.2598 12.2618 k =-0.3510 0.3021 0.7085 ( 3248 PWs) bands (ev): -47.3207 -47.3207 -22.0677 -22.0674 -19.3917 -19.3861 -19.2260 -19.2226 -19.1959 -19.1873 -17.5175 -17.5175 -7.7984 -7.7976 -4.4512 -4.4476 -4.2545 -4.2540 -3.8991 -3.8943 0.0328 0.0354 1.3312 1.3338 2.0437 2.0446 5.0262 5.0276 11.0798 11.0827 11.5488 11.5492 12.2364 12.2382 k =-0.3510 0.3021 0.7085 ( 3248 PWs) bands (ev): -47.3207 -47.3207 -22.0677 -22.0674 -19.3917 -19.3861 -19.2260 -19.2226 -19.1959 -19.1873 -17.5175 -17.5175 -7.7984 -7.7976 -4.4512 -4.4476 -4.2545 -4.2540 -3.8991 -3.8943 0.0328 0.0354 1.3312 1.3338 2.0437 2.0446 5.0262 5.0276 11.0798 11.0827 11.5488 11.5492 12.2364 12.2382 k =-0.3442 0.2963 0.7144 ( 3255 PWs) bands (ev): -47.3207 -47.3207 -22.0677 -22.0674 -19.3917 -19.3861 -19.2261 -19.2227 -19.1959 -19.1874 -17.5175 -17.5175 -7.7980 -7.7973 -4.4512 -4.4476 -4.2549 -4.2543 -3.8988 -3.8941 0.0324 0.0350 1.3300 1.3327 2.0441 2.0452 5.0263 5.0277 11.0793 11.0821 11.5482 11.5488 12.2366 12.2386 k =-0.3374 0.2904 0.7203 ( 3261 PWs) bands (ev): -47.3207 -47.3207 -22.0678 -22.0674 -19.3918 -19.3862 -19.2262 -19.2227 -19.1960 -19.1874 -17.5175 -17.5174 -7.7969 -7.7962 -4.4513 -4.4477 -4.2559 -4.2553 -3.8981 -3.8933 0.0311 0.0338 1.3266 1.3295 2.0454 2.0471 5.0266 5.0280 11.0774 11.0802 11.5466 11.5475 12.2377 12.2398 k =-0.3374 0.2904 0.7203 ( 3261 PWs) bands (ev): -47.3207 -47.3207 -22.0678 -22.0674 -19.3918 -19.3862 -19.2262 -19.2227 -19.1960 -19.1874 -17.5175 -17.5174 -7.7969 -7.7962 -4.4513 -4.4477 -4.2559 -4.2553 -3.8981 -3.8933 0.0311 0.0338 1.3266 1.3295 2.0454 2.0471 5.0266 5.0280 11.0774 11.0802 11.5466 11.5475 12.2377 12.2398 k =-0.3271 0.2816 0.7203 ( 3263 PWs) bands (ev): -47.3207 -47.3207 -22.0678 -22.0674 -19.3915 -19.3858 -19.2257 -19.2223 -19.1960 -19.1873 -17.5172 -17.5171 -7.7900 -7.7892 -4.4621 -4.4586 -4.2593 -4.2585 -3.8937 -3.8889 0.0180 0.0207 1.3170 1.3202 2.0482 2.0505 5.0119 5.0133 11.0906 11.0936 11.5668 11.5681 12.2528 12.2550 k =-0.3169 0.2728 0.7203 ( 3263 PWs) bands (ev): -47.3207 -47.3207 -22.0679 -22.0675 -19.3912 -19.3854 -19.2253 -19.2220 -19.1960 -19.1873 -17.5168 -17.5167 -7.7822 -7.7815 -4.4729 -4.4693 -4.2632 -4.2623 -3.8889 -3.8841 0.0042 0.0069 1.3054 1.3089 2.0518 2.0547 4.9977 4.9992 11.1013 11.1044 11.5884 11.5898 12.2688 12.2712 k =-0.3067 0.2640 0.7203 ( 3262 PWs) bands (ev): -47.3206 -47.3206 -22.0680 -22.0676 -19.3910 -19.3851 -19.2250 -19.2217 -19.1959 -19.1872 -17.5163 -17.5162 -7.7738 -7.7731 -4.4835 -4.4800 -4.2677 -4.2666 -3.8838 -3.8789 -0.0104 -0.0076 1.2919 1.2958 2.0562 2.0595 4.9841 4.9855 11.1095 11.1126 11.6121 11.6137 12.2858 12.2884 k =-0.2965 0.2552 0.7203 ( 3260 PWs) bands (ev): -47.3206 -47.3206 -22.0680 -22.0677 -19.3908 -19.3849 -19.2247 -19.2215 -19.1959 -19.1871 -17.5158 -17.5156 -7.7647 -7.7640 -4.4941 -4.4907 -4.2726 -4.2713 -3.8783 -3.8734 -0.0257 -0.0229 1.2769 1.2811 2.0611 2.0649 4.9709 4.9724 11.1153 11.1184 11.6387 11.6404 12.3036 12.3064 k =-0.2862 0.2464 0.7203 ( 3262 PWs) bands (ev): -47.3206 -47.3206 -22.0681 -22.0677 -19.3907 -19.3848 -19.2246 -19.2213 -19.1958 -19.1871 -17.5150 -17.5148 -7.7550 -7.7542 -4.5046 -4.5013 -4.2778 -4.2764 -3.8727 -3.8677 -0.0417 -0.0389 1.2606 1.2651 2.0665 2.0706 4.9584 4.9598 11.1187 11.1218 11.6683 11.6700 12.3222 12.3251 k =-0.2760 0.2376 0.7203 ( 3260 PWs) bands (ev): -47.3206 -47.3206 -22.0682 -22.0678 -19.3906 -19.3848 -19.2245 -19.2213 -19.1957 -19.1870 -17.5142 -17.5140 -7.7447 -7.7440 -4.5151 -4.5119 -4.2832 -4.2816 -3.8668 -3.8618 -0.0583 -0.0554 1.2431 1.2479 2.0722 2.0766 4.9465 4.9479 11.1201 11.1232 11.7008 11.7026 12.3415 12.3445 k =-0.2658 0.2288 0.7203 ( 3261 PWs) bands (ev): -47.3205 -47.3205 -22.0682 -22.0679 -19.3906 -19.3848 -19.2246 -19.2214 -19.1955 -19.1869 -17.5132 -17.5130 -7.7338 -7.7332 -4.5258 -4.5226 -4.2887 -4.2869 -3.8609 -3.8558 -0.0754 -0.0725 1.2248 1.2297 2.0781 2.0827 4.9352 4.9366 11.1200 11.1229 11.7360 11.7377 12.3612 12.3644 k =-0.2556 0.2200 0.7203 ( 3263 PWs) bands (ev): -47.3205 -47.3205 -22.0683 -22.0679 -19.3907 -19.3850 -19.2247 -19.2215 -19.1953 -19.1868 -17.5121 -17.5118 -7.7226 -7.7219 -4.5365 -4.5335 -4.2941 -4.2922 -3.8548 -3.8498 -0.0930 -0.0900 1.2057 1.2107 2.0841 2.0889 4.9246 4.9260 11.1185 11.1213 11.7735 11.7752 12.3813 12.3847 k =-0.2454 0.2112 0.7203 ( 3267 PWs) bands (ev): -47.3205 -47.3205 -22.0683 -22.0679 -19.3909 -19.3853 -19.2250 -19.2218 -19.1951 -19.1867 -17.5108 -17.5105 -7.7109 -7.7102 -4.5474 -4.5445 -4.2993 -4.2973 -3.8488 -3.8438 -0.1109 -0.1079 1.1860 1.1911 2.0902 2.0951 4.9146 4.9160 11.1160 11.1187 11.8129 11.8146 12.4016 12.4051 k =-0.2351 0.2024 0.7203 ( 3265 PWs) bands (ev): -47.3205 -47.3205 -22.0683 -22.0679 -19.3911 -19.3857 -19.2254 -19.2222 -19.1949 -19.1867 -17.5093 -17.5090 -7.6989 -7.6982 -4.5585 -4.5557 -4.3042 -4.3021 -3.8428 -3.8378 -0.1291 -0.1260 1.1659 1.1711 2.0962 2.1012 4.9053 4.9067 11.1129 11.1154 11.8538 11.8554 12.4220 12.4256 k =-0.2249 0.1936 0.7203 ( 3257 PWs) bands (ev): -47.3205 -47.3205 -22.0683 -22.0679 -19.3913 -19.3861 -19.2258 -19.2226 -19.1946 -19.1866 -17.5077 -17.5074 -7.6866 -7.6860 -4.5698 -4.5672 -4.3087 -4.3065 -3.8369 -3.8319 -0.1473 -0.1443 1.1455 1.1508 2.1022 2.1071 4.8967 4.8980 11.1093 11.1116 11.8957 11.8973 12.4423 12.4459 k =-0.2147 0.1848 0.7203 ( 3253 PWs) bands (ev): -47.3204 -47.3204 -22.0682 -22.0679 -19.3916 -19.3867 -19.2263 -19.2231 -19.1943 -19.1866 -17.5060 -17.5057 -7.6740 -7.6735 -4.5813 -4.5789 -4.3128 -4.3105 -3.8312 -3.8262 -0.1656 -0.1625 1.1250 1.1302 2.1080 2.1129 4.8888 4.8901 11.1054 11.1076 11.9383 11.9399 12.4623 12.4660 k =-0.2045 0.1760 0.7203 ( 3252 PWs) bands (ev): -47.3204 -47.3204 -22.0681 -22.0678 -19.3921 -19.3873 -19.2269 -19.2238 -19.1940 -19.1866 -17.5042 -17.5038 -7.6614 -7.6608 -4.5931 -4.5908 -4.3163 -4.3139 -3.8257 -3.8208 -0.1838 -0.1808 1.1044 1.1096 2.1136 2.1185 4.8815 4.8828 11.1014 11.1035 11.9812 11.9829 12.4820 12.4856 k =-0.1942 0.1672 0.7203 ( 3256 PWs) bands (ev): -47.3204 -47.3204 -22.0680 -22.0677 -19.3926 -19.3881 -19.2276 -19.2245 -19.1938 -19.1866 -17.5022 -17.5019 -7.6487 -7.6481 -4.6052 -4.6030 -4.3192 -4.3168 -3.8203 -3.8155 -0.2018 -0.1988 1.0838 1.0889 2.1191 2.1239 4.8749 4.8761 11.0974 11.0994 12.0240 12.0258 12.5011 12.5047 k =-0.1840 0.1584 0.7203 ( 3253 PWs) bands (ev): -47.3204 -47.3204 -22.0679 -22.0676 -19.3931 -19.3889 -19.2283 -19.2253 -19.1935 -19.1866 -17.5001 -17.4998 -7.6359 -7.6354 -4.6174 -4.6154 -4.3215 -4.3190 -3.8153 -3.8105 -0.2195 -0.2165 1.0634 1.0685 2.1244 2.1290 4.8689 4.8701 11.0935 11.0954 12.0665 12.0683 12.5198 12.5233 k =-0.1738 0.1496 0.7203 ( 3252 PWs) bands (ev): -47.3204 -47.3204 -22.0678 -22.0675 -19.3937 -19.3897 -19.2290 -19.2262 -19.1932 -19.1867 -17.4980 -17.4977 -7.6233 -7.6228 -4.6297 -4.6279 -4.3232 -4.3206 -3.8105 -3.8059 -0.2367 -0.2337 1.0433 1.0482 2.1294 2.1339 4.8635 4.8646 11.0897 11.0915 12.1082 12.1102 12.5379 12.5412 k =-0.1636 0.1408 0.7203 ( 3257 PWs) bands (ev): -47.3204 -47.3204 -22.0676 -22.0673 -19.3943 -19.3907 -19.2299 -19.2271 -19.1929 -19.1868 -17.4958 -17.4955 -7.6108 -7.6104 -4.6422 -4.6404 -4.3243 -4.3217 -3.8061 -3.8016 -0.2534 -0.2505 1.0236 1.0284 2.1342 2.1385 4.8586 4.8598 11.0862 11.0878 12.1489 12.1511 12.5555 12.5587 k =-0.1533 0.1320 0.7203 ( 3259 PWs) bands (ev): -47.3204 -47.3204 -22.0674 -22.0671 -19.3950 -19.3916 -19.2307 -19.2281 -19.1926 -19.1869 -17.4936 -17.4933 -7.5985 -7.5981 -4.6546 -4.6530 -4.3248 -4.3222 -3.8020 -3.7976 -0.2695 -0.2666 1.0044 1.0090 2.1388 2.1429 4.8543 4.8554 11.0828 11.0843 12.1883 12.1907 12.5726 12.5756 k =-0.1431 0.1232 0.7203 ( 3262 PWs) bands (ev): -47.3204 -47.3204 -22.0672 -22.0670 -19.3958 -19.3926 -19.2315 -19.2290 -19.1923 -19.1870 -17.4913 -17.4910 -7.5866 -7.5862 -4.6669 -4.6654 -4.3247 -4.3221 -3.7983 -3.7941 -0.2848 -0.2821 0.9857 0.9902 2.1431 2.1470 4.8506 4.8516 11.0797 11.0811 12.2260 12.2286 12.5894 12.5922 k =-0.1329 0.1144 0.7203 ( 3264 PWs) bands (ev): -47.3204 -47.3204 -22.0670 -22.0668 -19.3965 -19.3936 -19.2324 -19.2300 -19.1921 -19.1871 -17.4891 -17.4888 -7.5751 -7.5747 -4.6789 -4.6776 -4.3241 -4.3216 -3.7949 -3.7909 -0.2994 -0.2967 0.9678 0.9720 2.1471 2.1508 4.8472 4.8482 11.0768 11.0781 12.2617 12.2644 12.6061 12.6087 k =-0.1227 0.1056 0.7203 ( 3265 PWs) bands (ev): -47.3204 -47.3204 -22.0668 -22.0666 -19.3973 -19.3947 -19.2332 -19.2310 -19.1918 -19.1873 -17.4869 -17.4866 -7.5640 -7.5637 -4.6907 -4.6895 -4.3231 -4.3207 -3.7919 -3.7881 -0.3130 -0.3105 0.9507 0.9547 2.1509 2.1543 4.8444 4.8453 11.0742 11.0753 12.2950 12.2979 12.6228 12.6252 k =-0.1125 0.0968 0.7203 ( 3267 PWs) bands (ev): -47.3203 -47.3203 -22.0666 -22.0664 -19.3980 -19.3957 -19.2340 -19.2320 -19.1916 -19.1874 -17.4848 -17.4845 -7.5535 -7.5532 -4.7020 -4.7009 -4.3218 -4.3194 -3.7893 -3.7856 -0.3257 -0.3233 0.9345 0.9382 2.1544 2.1576 4.8419 4.8427 11.0718 11.0729 12.3256 12.3287 12.6396 12.6419 k =-0.1022 0.0880 0.7203 ( 3275 PWs) bands (ev): -47.3204 -47.3204 -22.0664 -22.0662 -19.3988 -19.3967 -19.2348 -19.2329 -19.1914 -19.1876 -17.4828 -17.4825 -7.5435 -7.5433 -4.7128 -4.7118 -4.3202 -4.3179 -3.7870 -3.7836 -0.3375 -0.3352 0.9193 0.9227 2.1576 2.1605 4.8398 4.8405 11.0696 11.0706 12.3532 12.3564 12.6566 12.6588 k =-0.0920 0.0792 0.7203 ( 3275 PWs) bands (ev): -47.3203 -47.3203 -22.0661 -22.0660 -19.3995 -19.3976 -19.2355 -19.2338 -19.1911 -19.1878 -17.4808 -17.4806 -7.5343 -7.5341 -4.7229 -4.7220 -4.3184 -4.3163 -3.7850 -3.7819 -0.3481 -0.3461 0.9052 0.9084 2.1605 2.1631 4.8380 4.8387 11.0678 11.0686 12.3776 12.3808 12.6739 12.6760 k =-0.0818 0.0704 0.7203 ( 3278 PWs) bands (ev): -47.3203 -47.3203 -22.0659 -22.0658 -19.4002 -19.3985 -19.2361 -19.2346 -19.1909 -19.1879 -17.4790 -17.4788 -7.5259 -7.5257 -4.7323 -4.7315 -4.3165 -4.3145 -3.7833 -3.7804 -0.3578 -0.3559 0.8923 0.8952 2.1631 2.1655 4.8365 4.8372 11.0661 11.0669 12.3988 12.4020 12.6912 12.6932 k =-0.0716 0.0616 0.7203 ( 3278 PWs) bands (ev): -47.3203 -47.3203 -22.0657 -22.0656 -19.4008 -19.3994 -19.2367 -19.2354 -19.1907 -19.1881 -17.4774 -17.4772 -7.5182 -7.5181 -4.7408 -4.7401 -4.3145 -4.3128 -3.7819 -3.7793 -0.3663 -0.3646 0.8807 0.8833 2.1655 2.1676 4.8353 4.8359 11.0647 11.0653 12.4168 12.4198 12.7084 12.7102 k =-0.0613 0.0528 0.7203 ( 3278 PWs) bands (ev): -47.3203 -47.3203 -22.0656 -22.0655 -19.4013 -19.4001 -19.2372 -19.2360 -19.1905 -19.1883 -17.4759 -17.4757 -7.5115 -7.5113 -4.7483 -4.7478 -4.3126 -4.3111 -3.7807 -3.7785 -0.3736 -0.3722 0.8705 0.8727 2.1676 2.1693 4.8344 4.8348 11.0634 11.0640 12.4317 12.4344 12.7249 12.7266 k =-0.0511 0.0440 0.7203 ( 3278 PWs) bands (ev): -47.3203 -47.3203 -22.0654 -22.0653 -19.4018 -19.4008 -19.2376 -19.2366 -19.1903 -19.1885 -17.4746 -17.4745 -7.5057 -7.5056 -4.7549 -4.7544 -4.3109 -4.3096 -3.7797 -3.7778 -0.3799 -0.3786 0.8618 0.8637 2.1693 2.1708 4.8336 4.8340 11.0624 11.0629 12.4438 12.4462 12.7403 12.7417 k =-0.0409 0.0352 0.7203 ( 3279 PWs) bands (ev): -47.3203 -47.3203 -22.0653 -22.0652 -19.4021 -19.4014 -19.2379 -19.2372 -19.1901 -19.1886 -17.4736 -17.4734 -7.5009 -7.5008 -4.7603 -4.7599 -4.3093 -4.3082 -3.7789 -3.7774 -0.3850 -0.3840 0.8546 0.8561 2.1708 2.1720 4.8330 4.8333 11.0616 11.0620 12.4533 12.4553 12.7538 12.7550 k =-0.0307 0.0264 0.7203 ( 3279 PWs) bands (ev): -47.3203 -47.3203 -22.0652 -22.0651 -19.4024 -19.4019 -19.2382 -19.2376 -19.1899 -19.1888 -17.4727 -17.4726 -7.4971 -7.4970 -4.7646 -4.7643 -4.3080 -4.3072 -3.7783 -3.7771 -0.3889 -0.3881 0.8490 0.8501 2.1720 2.1729 4.8326 4.8328 11.0610 11.0613 12.4605 12.4620 12.7651 12.7661 k =-0.0204 0.0176 0.7203 ( 3275 PWs) bands (ev): -47.3203 -47.3203 -22.0651 -22.0651 -19.4026 -19.4022 -19.2383 -19.2379 -19.1897 -19.1890 -17.4721 -17.4720 -7.4943 -7.4943 -4.7677 -4.7675 -4.3070 -4.3064 -3.7778 -3.7770 -0.3917 -0.3912 0.8450 0.8457 2.1729 2.1735 4.8323 4.8325 11.0606 11.0608 12.4655 12.4666 12.7736 12.7742 k =-0.0102 0.0088 0.7203 ( 3274 PWs) bands (ev): -47.3203 -47.3203 -22.0650 -22.0650 -19.4027 -19.4025 -19.2384 -19.2382 -19.1895 -19.1891 -17.4717 -17.4717 -7.4927 -7.4926 -4.7695 -4.7694 -4.3063 -4.3060 -3.7774 -3.7770 -0.3933 -0.3931 0.8427 0.8430 2.1735 2.1738 4.8322 4.8322 11.0604 11.0605 12.4686 12.4691 12.7789 12.7793 k = 0.0000 0.0000 0.7203 ( 3274 PWs) bands (ev): -47.3203 -47.3203 -22.0650 -22.0650 -19.4026 -19.4026 -19.2383 -19.2383 -19.1893 -19.1893 -17.4716 -17.4716 -7.4921 -7.4921 -4.7701 -4.7701 -4.3060 -4.3060 -3.7772 -3.7772 -0.3938 -0.3938 0.8420 0.8420 2.1738 2.1738 4.8321 4.8321 11.0603 11.0603 12.4698 12.4698 12.7808 12.7808 k = 0.0000 0.0000 0.7203 ( 3274 PWs) bands (ev): -47.3203 -47.3203 -22.0650 -22.0650 -19.4026 -19.4026 -19.2383 -19.2383 -19.1893 -19.1893 -17.4716 -17.4716 -7.4921 -7.4921 -4.7701 -4.7701 -4.3060 -4.3060 -3.7772 -3.7772 -0.3938 -0.3938 0.8420 0.8420 2.1738 2.1738 4.8321 4.8321 11.0603 11.0603 12.4698 12.4698 12.7808 12.7808 k = 0.0086 0.0100 0.7203 ( 3272 PWs) bands (ev): -47.3203 -47.3203 -22.0650 -22.0650 -19.4029 -19.4023 -19.2387 -19.2379 -19.1893 -19.1892 -17.4716 -17.4715 -7.4922 -7.4922 -4.7704 -4.7702 -4.3059 -4.3056 -3.7774 -3.7773 -0.3935 -0.3934 0.8420 0.8421 2.1738 2.1738 4.8320 4.8322 11.0611 11.0613 12.4699 12.4702 12.7791 12.7796 k = 0.0172 0.0200 0.7203 ( 3274 PWs) bands (ev): -47.3203 -47.3203 -22.0651 -22.0651 -19.4032 -19.4020 -19.2390 -19.2375 -19.1893 -19.1891 -17.4717 -17.4715 -7.4924 -7.4924 -4.7711 -4.7707 -4.3054 -4.3049 -3.7779 -3.7777 -0.3926 -0.3923 0.8421 0.8422 2.1739 2.1739 4.8318 4.8323 11.0635 11.0639 12.4705 12.4711 12.7744 12.7754 k = 0.0259 0.0300 0.7203 ( 3274 PWs) bands (ev): -47.3203 -47.3203 -22.0652 -22.0652 -19.4034 -19.4016 -19.2394 -19.2371 -19.1892 -19.1889 -17.4717 -17.4715 -7.4928 -7.4927 -4.7722 -4.7716 -4.3045 -4.3037 -3.7788 -3.7784 -0.3911 -0.3907 0.8422 0.8423 2.1741 2.1741 4.8316 4.8324 11.0676 11.0683 12.4717 12.4726 12.7667 12.7682 k = 0.0345 0.0401 0.7203 ( 3278 PWs) bands (ev): -47.3203 -47.3203 -22.0654 -22.0654 -19.4036 -19.4013 -19.2397 -19.2367 -19.1891 -19.1887 -17.4718 -17.4715 -7.4933 -7.4932 -4.7737 -4.7729 -4.3032 -4.3022 -3.7799 -3.7795 -0.3890 -0.3884 0.8423 0.8425 2.1742 2.1742 4.8313 4.8324 11.0733 11.0743 12.4734 12.4745 12.7562 12.7582 k = 0.0431 0.0501 0.7203 ( 3280 PWs) bands (ev): -47.3203 -47.3203 -22.0656 -22.0656 -19.4038 -19.4009 -19.2400 -19.2363 -19.1889 -19.1884 -17.4719 -17.4715 -7.4939 -7.4938 -4.7755 -4.7746 -4.3016 -4.3003 -3.7814 -3.7808 -0.3863 -0.3856 0.8425 0.8428 2.1745 2.1745 4.8311 4.8323 11.0808 11.0819 12.4756 12.4770 12.7430 12.7454 k = 0.0517 0.0601 0.7203 ( 3280 PWs) bands (ev): -47.3203 -47.3203 -22.0658 -22.0658 -19.4039 -19.4005 -19.2403 -19.2358 -19.1887 -19.1880 -17.4720 -17.4716 -7.4947 -7.4946 -4.7776 -4.7765 -4.2996 -4.2981 -3.7831 -3.7824 -0.3831 -0.3822 0.8428 0.8431 2.1748 2.1748 4.8307 4.8323 11.0898 11.0912 12.4783 12.4800 12.7271 12.7300 k = 0.0603 0.0701 0.7203 ( 3278 PWs) bands (ev): -47.3203 -47.3203 -22.0661 -22.0661 -19.4041 -19.4000 -19.2406 -19.2353 -19.1884 -19.1876 -17.4721 -17.4716 -7.4956 -7.4954 -4.7801 -4.7788 -4.2973 -4.2955 -3.7850 -3.7842 -0.3794 -0.3783 0.8431 0.8435 2.1751 2.1751 4.8304 4.8322 11.1004 11.1020 12.4814 12.4834 12.7087 12.7120 k = 0.0690 0.0801 0.7203 ( 3282 PWs) bands (ev): -47.3203 -47.3203 -22.0664 -22.0664 -19.4042 -19.3996 -19.2409 -19.2349 -19.1881 -19.1872 -17.4722 -17.4716 -7.4965 -7.4964 -4.7828 -4.7813 -4.2947 -4.2927 -3.7872 -3.7863 -0.3752 -0.3740 0.8435 0.8439 2.1755 2.1755 4.8300 4.8320 11.1126 11.1144 12.4850 12.4872 12.6880 12.6917 k = 0.0776 0.0901 0.7203 ( 3286 PWs) bands (ev): -47.3203 -47.3203 -22.0667 -22.0667 -19.4043 -19.3992 -19.2411 -19.2345 -19.1877 -19.1868 -17.4723 -17.4717 -7.4976 -7.4975 -4.7857 -4.7841 -4.2919 -4.2897 -3.7895 -3.7885 -0.3706 -0.3693 0.8438 0.8443 2.1759 2.1759 4.8297 4.8319 11.1262 11.1283 12.4890 12.4915 12.6651 12.6692 k = 0.0862 0.1001 0.7203 ( 3278 PWs) bands (ev): -47.3203 -47.3203 -22.0671 -22.0671 -19.4043 -19.3987 -19.2413 -19.2340 -19.1873 -19.1862 -17.4724 -17.4717 -7.4988 -7.4986 -4.7887 -4.7870 -4.2889 -4.2865 -3.7920 -3.7910 -0.3657 -0.3642 0.8443 0.8448 2.1764 2.1764 4.8293 4.8317 11.1414 11.1436 12.4934 12.4961 12.6402 12.6446 k = 0.0948 0.1102 0.7203 ( 3274 PWs) bands (ev): -47.3203 -47.3203 -22.0674 -22.0674 -19.4043 -19.3982 -19.2415 -19.2335 -19.1868 -19.1856 -17.4725 -17.4718 -7.5000 -7.4998 -4.7919 -4.7901 -4.2858 -4.2832 -3.7947 -3.7935 -0.3605 -0.3589 0.8447 0.8453 2.1769 2.1769 4.8289 4.8315 11.1579 11.1603 12.4981 12.5011 12.6136 12.6183 k = 0.1034 0.1202 0.7203 ( 3268 PWs) bands (ev): -47.3203 -47.3203 -22.0678 -22.0678 -19.4044 -19.3978 -19.2417 -19.2330 -19.1863 -19.1850 -17.4726 -17.4718 -7.5012 -7.5010 -4.7952 -4.7933 -4.2826 -4.2798 -3.7974 -3.7961 -0.3551 -0.3533 0.8452 0.8458 2.1775 2.1775 4.8284 4.8313 11.1756 11.1783 12.5031 12.5064 12.5854 12.5903 k = 0.1121 0.1302 0.7203 ( 3272 PWs) bands (ev): -47.3203 -47.3203 -22.0682 -22.0682 -19.4044 -19.3973 -19.2419 -19.2326 -19.1859 -19.1844 -17.4728 -17.4719 -7.5026 -7.5023 -4.7986 -4.7965 -4.2793 -4.2763 -3.8002 -3.7989 -0.3495 -0.3477 0.8457 0.8464 2.1780 2.1780 4.8280 4.8311 11.1946 11.1975 12.5084 12.5119 12.5558 12.5610 k = 0.1207 0.1402 0.7203 ( 3270 PWs) bands (ev): -47.3203 -47.3203 -22.0687 -22.0686 -19.4044 -19.3968 -19.2421 -19.2321 -19.1854 -19.1838 -17.4729 -17.4720 -7.5039 -7.5037 -4.8019 -4.7998 -4.2759 -4.2728 -3.8031 -3.8017 -0.3438 -0.3419 0.8462 0.8469 2.1786 2.1786 4.8276 4.8308 11.2148 11.2178 12.5137 12.5176 12.5252 12.5305 k = 0.1293 0.1502 0.7203 ( 3270 PWs) bands (ev): -47.3203 -47.3203 -22.0691 -22.0691 -19.4044 -19.3964 -19.2423 -19.2317 -19.1849 -19.1833 -17.4730 -17.4721 -7.5052 -7.5050 -4.8052 -4.8030 -4.2726 -4.2694 -3.8060 -3.8045 -0.3381 -0.3360 0.8468 0.8475 2.1791 2.1791 4.8272 4.8306 11.2359 11.2391 12.4934 12.4991 12.5196 12.5234 k = 0.1379 0.1602 0.7203 ( 3272 PWs) bands (ev): -47.3203 -47.3203 -22.0695 -22.0695 -19.4044 -19.3960 -19.2425 -19.2313 -19.1844 -19.1827 -17.4731 -17.4721 -7.5066 -7.5063 -4.8085 -4.8062 -4.2694 -4.2660 -3.8088 -3.8073 -0.3324 -0.3303 0.8473 0.8480 2.1797 2.1797 4.8267 4.8304 11.2578 11.2612 12.4612 12.4671 12.5252 12.5293 k = 0.1466 0.1702 0.7203 ( 3276 PWs) bands (ev): -47.3203 -47.3203 -22.0699 -22.0699 -19.4044 -19.3956 -19.2426 -19.2310 -19.1839 -19.1821 -17.4733 -17.4722 -7.5079 -7.5076 -4.8117 -4.8093 -4.2662 -4.2627 -3.8116 -3.8100 -0.3269 -0.3247 0.8477 0.8485 2.1803 2.1803 4.8263 4.8301 11.2805 11.2840 12.4286 12.4346 12.5309 12.5352 k = 0.1552 0.1803 0.7203 ( 3276 PWs) bands (ev): -47.3203 -47.3203 -22.0703 -22.0703 -19.4043 -19.3952 -19.2428 -19.2306 -19.1835 -19.1815 -17.4734 -17.4723 -7.5092 -7.5089 -4.8147 -4.8123 -4.2632 -4.2596 -3.8143 -3.8126 -0.3215 -0.3192 0.8482 0.8490 2.1808 2.1809 4.8260 4.8299 11.3036 11.3073 12.3960 12.4021 12.5366 12.5410 k = 0.1638 0.1903 0.7203 ( 3276 PWs) bands (ev): -47.3203 -47.3203 -22.0707 -22.0707 -19.4043 -19.3948 -19.2429 -19.2303 -19.1830 -19.1810 -17.4735 -17.4724 -7.5104 -7.5101 -4.8176 -4.8151 -4.2603 -4.2566 -3.8168 -3.8151 -0.3164 -0.3140 0.8487 0.8495 2.1814 2.1814 4.8256 4.8296 11.3270 11.3309 12.3636 12.3698 12.5421 12.5467 k = 0.1724 0.2003 0.7203 ( 3270 PWs) bands (ev): -47.3203 -47.3203 -22.0710 -22.0710 -19.4042 -19.3944 -19.2430 -19.2300 -19.1825 -19.1804 -17.4736 -17.4724 -7.5115 -7.5112 -4.8203 -4.8178 -4.2576 -4.2538 -3.8192 -3.8174 -0.3115 -0.3091 0.8491 0.8500 2.1819 2.1819 4.8253 4.8294 11.3504 11.3544 12.3318 12.3381 12.5475 12.5522 k = 0.1810 0.2103 0.7203 ( 3268 PWs) bands (ev): -47.3203 -47.3203 -22.0713 -22.0713 -19.4042 -19.3941 -19.2431 -19.2297 -19.1821 -19.1799 -17.4737 -17.4725 -7.5126 -7.5123 -4.8227 -4.8202 -4.2551 -4.2513 -3.8214 -3.8196 -0.3070 -0.3045 0.8496 0.8504 2.1824 2.1825 4.8249 4.8292 11.3735 11.3776 12.3010 12.3074 12.5525 12.5574 k = 0.1897 0.2203 0.7203 ( 3272 PWs) bands (ev): -47.3203 -47.3203 -22.0716 -22.0716 -19.4042 -19.3939 -19.2432 -19.2295 -19.1817 -19.1795 -17.4738 -17.4725 -7.5136 -7.5133 -4.8249 -4.8224 -4.2529 -4.2490 -3.8234 -3.8216 -0.3030 -0.3004 0.8499 0.8508 2.1829 2.1829 4.8246 4.8290 11.3958 11.4001 12.2717 12.2782 12.5572 12.5623 k = 0.1983 0.2303 0.7203 ( 3272 PWs) bands (ev): -47.3203 -47.3203 -22.0719 -22.0719 -19.4042 -19.3936 -19.2433 -19.2292 -19.1814 -19.1791 -17.4738 -17.4726 -7.5145 -7.5141 -4.8269 -4.8243 -4.2509 -4.2469 -3.8252 -3.8233 -0.2993 -0.2967 0.8503 0.8512 2.1833 2.1833 4.8244 4.8288 11.4170 11.4214 12.2444 12.2509 12.5614 12.5666 k = 0.2069 0.2403 0.7203 ( 3272 PWs) bands (ev): -47.3203 -47.3203 -22.0721 -22.0721 -19.4041 -19.3934 -19.2434 -19.2291 -19.1811 -19.1788 -17.4739 -17.4726 -7.5152 -7.5149 -4.8286 -4.8260 -4.2492 -4.2452 -3.8268 -3.8249 -0.2962 -0.2935 0.8506 0.8515 2.1836 2.1837 4.8241 4.8287 11.4365 11.4410 12.2196 12.2261 12.5652 12.5705 k = 0.2155 0.2504 0.7203 ( 3272 PWs) bands (ev): -47.3203 -47.3203 -22.0723 -22.0723 -19.4041 -19.3932 -19.2434 -19.2289 -19.1808 -19.1785 -17.4740 -17.4727 -7.5158 -7.5155 -4.8300 -4.8274 -4.2477 -4.2437 -3.8281 -3.8261 -0.2936 -0.2909 0.8508 0.8518 2.1839 2.1839 4.8240 4.8286 11.4538 11.4583 12.1980 12.2046 12.5683 12.5737 k = 0.2241 0.2604 0.7203 ( 3274 PWs) bands (ev): -47.3203 -47.3203 -22.0725 -22.0725 -19.4041 -19.3931 -19.2435 -19.2288 -19.1807 -19.1783 -17.4740 -17.4727 -7.5163 -7.5160 -4.8311 -4.8285 -4.2466 -4.2425 -3.8291 -3.8271 -0.2915 -0.2888 0.8510 0.8520 2.1842 2.1842 4.8238 4.8284 11.4681 11.4727 12.1802 12.1868 12.5709 12.5763 k = 0.2328 0.2704 0.7203 ( 3270 PWs) bands (ev): -47.3203 -47.3203 -22.0726 -22.0726 -19.4041 -19.3929 -19.2435 -19.2287 -19.1805 -19.1781 -17.4740 -17.4727 -7.5167 -7.5164 -4.8319 -4.8293 -4.2458 -4.2417 -3.8299 -3.8279 -0.2900 -0.2873 0.8511 0.8521 2.1844 2.1844 4.8237 4.8284 11.4789 11.4835 12.1669 12.1736 12.5727 12.5782 k = 0.2414 0.2804 0.7203 ( 3274 PWs) bands (ev): -47.3203 -47.3203 -22.0727 -22.0727 -19.4041 -19.3929 -19.2435 -19.2287 -19.1804 -19.1780 -17.4741 -17.4728 -7.5169 -7.5166 -4.8324 -4.8297 -4.2453 -4.2412 -3.8303 -3.8283 -0.2891 -0.2863 0.8512 0.8522 2.1845 2.1845 4.8237 4.8284 11.4856 11.4903 12.1587 12.1653 12.5738 12.5793 k = 0.2500 0.2904 0.7203 ( 3280 PWs) bands (ev): -47.3203 -47.3203 -22.0727 -22.0727 -19.4041 -19.3929 -19.2436 -19.2287 -19.1805 -19.1780 -17.4741 -17.4728 -7.5170 -7.5167 -4.8326 -4.8299 -4.2452 -4.2411 -3.8305 -3.8285 -0.2888 -0.2860 0.8512 0.8522 2.1845 2.1845 4.8236 4.8283 11.4879 11.4925 12.1559 12.1626 12.5742 12.5797 k = 0.2500 0.2904 0.7203 ( 3280 PWs) bands (ev): -47.3203 -47.3203 -22.0727 -22.0727 -19.4041 -19.3929 -19.2436 -19.2287 -19.1805 -19.1780 -17.4741 -17.4728 -7.5170 -7.5167 -4.8326 -4.8299 -4.2452 -4.2411 -3.8305 -3.8285 -0.2888 -0.2860 0.8512 0.8522 2.1845 2.1845 4.8236 4.8283 11.4879 11.4925 12.1559 12.1626 12.5742 12.5797 k = 0.2417 0.2976 0.7131 ( 3280 PWs) bands (ev): -47.3203 -47.3203 -22.0727 -22.0727 -19.4040 -19.3928 -19.2435 -19.2286 -19.1804 -19.1780 -17.4742 -17.4728 -7.5174 -7.5171 -4.8319 -4.8292 -4.2458 -4.2417 -3.8303 -3.8282 -0.2888 -0.2860 0.8523 0.8533 2.1843 2.1843 4.8234 4.8282 11.4874 11.4920 12.1431 12.1493 12.5883 12.5934 k = 0.2333 0.3048 0.7059 ( 3280 PWs) bands (ev): -47.3203 -47.3203 -22.0729 -22.0729 -19.4038 -19.3926 -19.2433 -19.2285 -19.1804 -19.1780 -17.4744 -17.4731 -7.5188 -7.5185 -4.8298 -4.8271 -4.2478 -4.2436 -3.8296 -3.8276 -0.2886 -0.2858 0.8555 0.8565 2.1836 2.1837 4.8230 4.8277 11.4857 11.4903 12.1087 12.1141 12.6260 12.6301 k = 0.2250 0.3119 0.6987 ( 3282 PWs) bands (ev): -47.3203 -47.3203 -22.0731 -22.0731 -19.4034 -19.3923 -19.2430 -19.2282 -19.1804 -19.1780 -17.4748 -17.4735 -7.5210 -7.5207 -4.8264 -4.8237 -4.2509 -4.2468 -3.8287 -3.8265 -0.2883 -0.2856 0.8609 0.8619 2.1826 2.1827 4.8222 4.8268 11.4830 11.4876 12.0607 12.0652 12.6789 12.6819 k = 0.2167 0.3191 0.6915 ( 3284 PWs) bands (ev): -47.3203 -47.3203 -22.0733 -22.0733 -19.4029 -19.3919 -19.2425 -19.2279 -19.1804 -19.1779 -17.4753 -17.4741 -7.5241 -7.5238 -4.8217 -4.8190 -4.2553 -4.2510 -3.8274 -3.8251 -0.2878 -0.2852 0.8683 0.8693 2.1811 2.1813 4.8210 4.8257 11.4792 11.4838 12.0053 12.0090 12.7403 12.7423 k = 0.2083 0.3263 0.6843 ( 3284 PWs) bands (ev): -47.3203 -47.3203 -22.0737 -22.0737 -19.4022 -19.3913 -19.2419 -19.2274 -19.1803 -19.1779 -17.4760 -17.4748 -7.5280 -7.5277 -4.8158 -4.8130 -4.2606 -4.2563 -3.8259 -3.8235 -0.2872 -0.2846 0.8777 0.8787 2.1793 2.1795 4.8196 4.8242 11.4743 11.4789 11.9462 11.9493 12.8059 12.8072 k = 0.2000 0.3335 0.6772 ( 3288 PWs) bands (ev): -47.3203 -47.3203 -22.0741 -22.0741 -19.4014 -19.3907 -19.2411 -19.2268 -19.1803 -19.1778 -17.4769 -17.4756 -7.5326 -7.5323 -4.8087 -4.8059 -4.2667 -4.2624 -3.8243 -3.8218 -0.2864 -0.2839 0.8890 0.8899 2.1771 2.1774 4.8179 4.8224 11.4684 11.4729 11.8856 11.8883 12.8731 12.8739 k = 0.1917 0.3406 0.6700 ( 3286 PWs) bands (ev): -47.3203 -47.3203 -22.0746 -22.0746 -19.4004 -19.3899 -19.2403 -19.2262 -19.1802 -19.1778 -17.4778 -17.4766 -7.5380 -7.5377 -4.8005 -4.7977 -4.2736 -4.2692 -3.8227 -3.8201 -0.2854 -0.2830 0.9019 0.9029 2.1746 2.1749 4.8159 4.8204 11.4614 11.4659 11.8247 11.8271 12.9395 12.9406 k = 0.1833 0.3478 0.6628 ( 3278 PWs) bands (ev): -47.3203 -47.3203 -22.0751 -22.0751 -19.3993 -19.3890 -19.2393 -19.2254 -19.1801 -19.1776 -17.4789 -17.4777 -7.5439 -7.5436 -4.7913 -4.7885 -4.2810 -4.2765 -3.8211 -3.8184 -0.2842 -0.2819 0.9165 0.9175 2.1717 2.1721 4.8136 4.8180 11.4533 11.4578 11.7645 11.7667 13.0036 13.0054 k = 0.1750 0.3550 0.6556 ( 3276 PWs) bands (ev): -47.3203 -47.3203 -22.0757 -22.0757 -19.3981 -19.3881 -19.2381 -19.2246 -19.1800 -19.1775 -17.4801 -17.4789 -7.5504 -7.5501 -4.7814 -4.7785 -4.2888 -4.2842 -3.8198 -3.8170 -0.2828 -0.2806 0.9324 0.9334 2.1686 2.1690 4.8111 4.8154 11.4441 11.4486 11.7055 11.7075 13.0637 13.0663 k = 0.1667 0.3622 0.6484 ( 3274 PWs) bands (ev): -47.3203 -47.3203 -22.0764 -22.0764 -19.3969 -19.3871 -19.2369 -19.2237 -19.1798 -19.1774 -17.4814 -17.4802 -7.5574 -7.5572 -4.7707 -4.7678 -4.2967 -4.2921 -3.8188 -3.8158 -0.2811 -0.2790 0.9496 0.9505 2.1653 2.1657 4.8084 4.8126 11.4337 11.4381 11.6483 11.6501 13.1181 13.1214 k = 0.1583 0.3693 0.6412 ( 3270 PWs) bands (ev): -47.3203 -47.3203 -22.0771 -22.0771 -19.3955 -19.3861 -19.2356 -19.2227 -19.1797 -19.1772 -17.4827 -17.4816 -7.5648 -7.5645 -4.7594 -4.7565 -4.3047 -4.3000 -3.8181 -3.8151 -0.2793 -0.2773 0.9677 0.9687 2.1617 2.1622 4.8055 4.8096 11.4218 11.4262 11.5934 11.5951 13.1651 13.1691 k = 0.1500 0.3765 0.6340 ( 3270 PWs) bands (ev): -47.3203 -47.3203 -22.0778 -22.0778 -19.3942 -19.3850 -19.2342 -19.2218 -19.1795 -19.1771 -17.4842 -17.4831 -7.5725 -7.5723 -4.7478 -4.7448 -4.3124 -4.3076 -3.8179 -3.8148 -0.2772 -0.2753 0.9867 0.9877 2.1580 2.1585 4.8023 4.8063 11.4077 11.4121 11.5418 11.5435 13.2033 13.2079 k = 0.1417 0.3837 0.6268 ( 3270 PWs) bands (ev): -47.3203 -47.3203 -22.0785 -22.0785 -19.3928 -19.3840 -19.2328 -19.2208 -19.1793 -19.1769 -17.4857 -17.4846 -7.5804 -7.5802 -4.7360 -4.7330 -4.3198 -4.3150 -3.8181 -3.8150 -0.2748 -0.2731 1.0063 1.0074 2.1541 2.1546 4.7991 4.8029 11.3902 11.3946 11.4951 11.4968 13.2321 13.2370 k = 0.1333 0.3908 0.6197 ( 3266 PWs) bands (ev): -47.3203 -47.3203 -22.0793 -22.0793 -19.3913 -19.3829 -19.2313 -19.2197 -19.1791 -19.1768 -17.4872 -17.4862 -7.5885 -7.5882 -4.7242 -4.7211 -4.3267 -4.3218 -3.8189 -3.8157 -0.2723 -0.2707 1.0264 1.0274 2.1501 2.1507 4.7957 4.7994 11.3670 11.3711 11.4560 11.4576 13.2517 13.2567 k = 0.1250 0.3980 0.6125 ( 3260 PWs) bands (ev): -47.3203 -47.3203 -22.0801 -22.0801 -19.3899 -19.3819 -19.2297 -19.2186 -19.1789 -19.1766 -17.4888 -17.4878 -7.5965 -7.5963 -4.7125 -4.7094 -4.3329 -4.3280 -3.8201 -3.8170 -0.2696 -0.2681 1.0466 1.0476 2.1462 2.1468 4.7922 4.7958 11.3364 11.3398 11.4265 11.4280 13.2630 13.2679 k = 0.1167 0.4052 0.6053 ( 3258 PWs) bands (ev): -47.3203 -47.3203 -22.0808 -22.0808 -19.3885 -19.3809 -19.2281 -19.2176 -19.1787 -19.1764 -17.4903 -17.4894 -7.6046 -7.6043 -4.7011 -4.6980 -4.3383 -4.3334 -3.8219 -3.8188 -0.2668 -0.2654 1.0668 1.0678 2.1422 2.1428 4.7887 4.7921 11.2999 11.3026 11.4049 11.4065 13.2673 13.2719 k = 0.1083 0.4124 0.5981 ( 3268 PWs) bands (ev): -47.3203 -47.3203 -22.0816 -22.0816 -19.3871 -19.3800 -19.2265 -19.2166 -19.1785 -19.1763 -17.4919 -17.4910 -7.6124 -7.6122 -4.6903 -4.6873 -4.3428 -4.3379 -3.8241 -3.8211 -0.2638 -0.2626 1.0867 1.0877 2.1382 2.1388 4.7852 4.7884 11.2611 11.2633 11.3881 11.3897 13.2661 13.2704 k = 0.1000 0.4195 0.5909 ( 3266 PWs) bands (ev): -47.3203 -47.3203 -22.0823 -22.0823 -19.3857 -19.3791 -19.2249 -19.2156 -19.1782 -19.1761 -17.4934 -17.4926 -7.6201 -7.6199 -4.6802 -4.6772 -4.3463 -4.3414 -3.8268 -3.8238 -0.2608 -0.2597 1.1062 1.1072 2.1343 2.1349 4.7817 4.7848 11.2225 11.2243 11.3738 11.3755 13.2608 13.2647 k = 0.0917 0.4267 0.5837 ( 3266 PWs) bands (ev): -47.3203 -47.3203 -22.0830 -22.0830 -19.3844 -19.3783 -19.2234 -19.2147 -19.1779 -19.1759 -17.4948 -17.4941 -7.6274 -7.6273 -4.6709 -4.6680 -4.3486 -4.3439 -3.8299 -3.8270 -0.2578 -0.2568 1.1251 1.1260 2.1305 2.1311 4.7783 4.7812 11.1853 11.1868 11.3610 11.3627 13.2527 13.2562 k = 0.0833 0.4339 0.5765 ( 3264 PWs) bands (ev): -47.3203 -47.3203 -22.0837 -22.0837 -19.3831 -19.3775 -19.2218 -19.2138 -19.1776 -19.1757 -17.4962 -17.4955 -7.6344 -7.6342 -4.6626 -4.6598 -4.3499 -4.3453 -3.8333 -3.8305 -0.2549 -0.2539 1.1431 1.1440 2.1269 2.1275 4.7750 4.7777 11.1502 11.1515 11.3494 11.3510 13.2427 13.2458 k = 0.0750 0.4411 0.5693 ( 3262 PWs) bands (ev): -47.3203 -47.3203 -22.0844 -22.0843 -19.3819 -19.3768 -19.2203 -19.2131 -19.1773 -19.1755 -17.4975 -17.4969 -7.6409 -7.6408 -4.6552 -4.6526 -4.3502 -4.3458 -3.8369 -3.8342 -0.2520 -0.2511 1.1600 1.1609 2.1235 2.1241 4.7719 4.7743 11.1176 11.1188 11.3388 11.3403 13.2317 13.2344 k = 0.0667 0.4482 0.5622 ( 3262 PWs) bands (ev): -47.3203 -47.3203 -22.0849 -22.0849 -19.3808 -19.3762 -19.2189 -19.2124 -19.1770 -19.1754 -17.4988 -17.4982 -7.6470 -7.6468 -4.6489 -4.6464 -4.3495 -4.3455 -3.8405 -3.8381 -0.2492 -0.2485 1.1758 1.1766 2.1204 2.1209 4.7690 4.7712 11.0879 11.0889 11.3291 11.3305 13.2204 13.2228 k = 0.0583 0.4554 0.5550 ( 3262 PWs) bands (ev): -47.3203 -47.3203 -22.0855 -22.0855 -19.3798 -19.3757 -19.2176 -19.2118 -19.1767 -19.1753 -17.4999 -17.4994 -7.6524 -7.6523 -4.6437 -4.6414 -4.3481 -4.3444 -3.8442 -3.8420 -0.2466 -0.2460 1.1901 1.1908 2.1176 2.1180 4.7664 4.7683 11.0612 11.0621 11.3204 11.3216 13.2093 13.2114 k = 0.0500 0.4626 0.5478 ( 3260 PWs) bands (ev): -47.3203 -47.3203 -22.0860 -22.0860 -19.3788 -19.3753 -19.2163 -19.2114 -19.1764 -19.1751 -17.5008 -17.5004 -7.6572 -7.6571 -4.6393 -4.6373 -4.3462 -4.3428 -3.8477 -3.8457 -0.2443 -0.2438 1.2028 1.2035 2.1151 2.1155 4.7640 4.7657 11.0377 11.0385 11.3127 11.3138 13.1989 13.2007 k = 0.0417 0.4698 0.5406 ( 3258 PWs) bands (ev): -47.3203 -47.3203 -22.0864 -22.0864 -19.3779 -19.3750 -19.2152 -19.2110 -19.1761 -19.1750 -17.5017 -17.5013 -7.6614 -7.6613 -4.6358 -4.6342 -4.3439 -4.3410 -3.8510 -3.8492 -0.2422 -0.2418 1.2139 1.2144 2.1129 2.1132 4.7620 4.7634 11.0177 11.0183 11.3061 11.3070 13.1896 13.1910 k = 0.0333 0.4769 0.5334 ( 3260 PWs) bands (ev): -47.3203 -47.3203 -22.0867 -22.0867 -19.3772 -19.3748 -19.2142 -19.2109 -19.1758 -19.1750 -17.5024 -17.5021 -7.6649 -7.6648 -4.6332 -4.6318 -4.3415 -4.3392 -3.8538 -3.8524 -0.2405 -0.2401 1.2231 1.2236 2.1110 2.1113 4.7603 4.7614 11.0011 11.0016 11.3006 11.3013 13.1816 13.1828 k = 0.0250 0.4841 0.5262 ( 3266 PWs) bands (ev): -47.3203 -47.3203 -22.0870 -22.0870 -19.3765 -19.3748 -19.2133 -19.2108 -19.1756 -19.1750 -17.5029 -17.5027 -7.6676 -7.6675 -4.6311 -4.6301 -4.3394 -4.3376 -3.8561 -3.8550 -0.2391 -0.2388 1.2304 1.2307 2.1096 2.1098 4.7590 4.7598 10.9881 10.9884 11.2963 11.2969 13.1752 13.1761 k = 0.0167 0.4913 0.5190 ( 3272 PWs) bands (ev): -47.3203 -47.3203 -22.0872 -22.0872 -19.3760 -19.3748 -19.2126 -19.2109 -19.1755 -19.1750 -17.5033 -17.5032 -7.6695 -7.6695 -4.6297 -4.6290 -4.3376 -4.3364 -3.8578 -3.8571 -0.2380 -0.2379 1.2357 1.2359 2.1086 2.1087 4.7581 4.7586 10.9787 10.9790 11.2932 11.2936 13.1706 13.1711 k = 0.0083 0.4985 0.5118 ( 3268 PWs) bands (ev): -47.3203 -47.3203 -22.0873 -22.0873 -19.3755 -19.3749 -19.2119 -19.2111 -19.1753 -19.1750 -17.5036 -17.5035 -7.6707 -7.6707 -4.6288 -4.6285 -4.3363 -4.3357 -3.8588 -3.8584 -0.2374 -0.2373 1.2389 1.2390 2.1080 2.1081 4.7576 4.7579 10.9731 10.9733 11.2914 11.2916 13.1678 13.1681 k = 0.0000 0.5056 0.5047 ( 3264 PWs) bands (ev): -47.3203 -47.3203 -22.0874 -22.0874 -19.3752 -19.3752 -19.2114 -19.2114 -19.1751 -19.1751 -17.5036 -17.5036 -7.6711 -7.6711 -4.6284 -4.6284 -4.3356 -4.3356 -3.8589 -3.8589 -0.2371 -0.2371 1.2400 1.2400 2.1078 2.1078 4.7575 4.7575 10.9713 10.9713 11.2909 11.2909 13.1670 13.1670 k = 0.0000 0.5056 0.5047 ( 3264 PWs) bands (ev): -47.3203 -47.3203 -22.0874 -22.0874 -19.3752 -19.3752 -19.2114 -19.2114 -19.1751 -19.1751 -17.5036 -17.5036 -7.6711 -7.6711 -4.6284 -4.6284 -4.3356 -4.3356 -3.8589 -3.8589 -0.2371 -0.2371 1.2400 1.2400 2.1078 2.1078 4.7575 4.7575 10.9713 10.9713 11.2909 11.2909 13.1670 13.1670 k = 0.0103 0.5116 0.4987 ( 3268 PWs) bands (ev): -47.3203 -47.3203 -22.0873 -22.0873 -19.3754 -19.3750 -19.2115 -19.2114 -19.1753 -19.1750 -17.5036 -17.5036 -7.6713 -7.6712 -4.6284 -4.6282 -4.3355 -4.3355 -3.8590 -3.8588 -0.2369 -0.2368 1.2400 1.2402 2.1076 2.1077 4.7577 4.7578 10.9719 10.9719 11.2912 11.2913 13.1659 13.1660 k = 0.0206 0.5176 0.4927 ( 3272 PWs) bands (ev): -47.3203 -47.3203 -22.0872 -22.0872 -19.3756 -19.3749 -19.2116 -19.2115 -19.1756 -19.1750 -17.5037 -17.5037 -7.6717 -7.6717 -4.6281 -4.6277 -4.3352 -4.3351 -3.8591 -3.8586 -0.2360 -0.2357 1.2402 1.2405 2.1071 2.1072 4.7583 4.7584 10.9735 10.9736 11.2923 11.2926 13.1628 13.1631 k = 0.0310 0.5236 0.4867 ( 3274 PWs) bands (ev): -47.3203 -47.3203 -22.0870 -22.0870 -19.3759 -19.3748 -19.2117 -19.2115 -19.1759 -19.1751 -17.5038 -17.5038 -7.6725 -7.6724 -4.6276 -4.6270 -4.3345 -4.3344 -3.8591 -3.8583 -0.2344 -0.2340 1.2406 1.2410 2.1063 2.1064 4.7592 4.7594 10.9763 10.9765 11.2942 11.2946 13.1577 13.1582 k = 0.0413 0.5296 0.4807 ( 3271 PWs) bands (ev): -47.3203 -47.3203 -22.0868 -22.0867 -19.3762 -19.3748 -19.2118 -19.2116 -19.1763 -19.1752 -17.5040 -17.5040 -7.6736 -7.6734 -4.6267 -4.6260 -4.3336 -4.3335 -3.8590 -3.8580 -0.2321 -0.2317 1.2411 1.2416 2.1052 2.1054 4.7606 4.7609 10.9802 10.9804 11.2969 11.2975 13.1507 13.1513 k = 0.0516 0.5355 0.4747 ( 3269 PWs) bands (ev): -47.3203 -47.3203 -22.0864 -22.0863 -19.3765 -19.3748 -19.2120 -19.2117 -19.1767 -19.1753 -17.5042 -17.5042 -7.6749 -7.6748 -4.6257 -4.6247 -4.3325 -4.3323 -3.8589 -3.8576 -0.2293 -0.2287 1.2419 1.2425 2.1038 2.1040 4.7624 4.7628 10.9851 10.9854 11.3004 11.3010 13.1416 13.1424 k = 0.0619 0.5415 0.4687 ( 3271 PWs) bands (ev): -47.3203 -47.3203 -22.0860 -22.0859 -19.3769 -19.3748 -19.2122 -19.2119 -19.1772 -19.1756 -17.5044 -17.5044 -7.6766 -7.6764 -4.6243 -4.6232 -4.3311 -4.3309 -3.8588 -3.8572 -0.2258 -0.2251 1.2428 1.2435 2.1022 2.1024 4.7646 4.7651 10.9911 10.9915 11.3046 11.3054 13.1307 13.1316 k = 0.0723 0.5475 0.4627 ( 3264 PWs) bands (ev): -47.3203 -47.3203 -22.0856 -22.0854 -19.3773 -19.3748 -19.2124 -19.2121 -19.1778 -19.1758 -17.5047 -17.5047 -7.6785 -7.6783 -4.6227 -4.6213 -4.3294 -4.3293 -3.8586 -3.8568 -0.2216 -0.2208 1.2438 1.2447 2.1003 2.1006 4.7673 4.7678 10.9980 10.9984 11.3095 11.3104 13.1177 13.1188 k = 0.0826 0.5535 0.4567 ( 3266 PWs) bands (ev): -47.3203 -47.3203 -22.0850 -22.0849 -19.3777 -19.3749 -19.2126 -19.2123 -19.1785 -19.1762 -17.5050 -17.5050 -7.6807 -7.6804 -4.6207 -4.6192 -4.3276 -4.3274 -3.8585 -3.8564 -0.2169 -0.2160 1.2451 1.2460 2.0982 2.0985 4.7705 4.7710 11.0059 11.0063 11.3151 11.3161 13.1029 13.1042 k = 0.0929 0.5595 0.4507 ( 3268 PWs) bands (ev): -47.3203 -47.3203 -22.0844 -22.0843 -19.3782 -19.3751 -19.2129 -19.2125 -19.1792 -19.1766 -17.5054 -17.5054 -7.6832 -7.6829 -4.6185 -4.6168 -4.3255 -4.3253 -3.8583 -3.8561 -0.2116 -0.2105 1.2465 1.2475 2.0958 2.0962 4.7740 4.7747 11.0145 11.0151 11.3213 11.3224 13.0862 13.0876 k = 0.1032 0.5655 0.4447 ( 3264 PWs) bands (ev): -47.3203 -47.3203 -22.0838 -22.0836 -19.3786 -19.3753 -19.2132 -19.2128 -19.1799 -19.1771 -17.5058 -17.5058 -7.6859 -7.6856 -4.6159 -4.6141 -4.3232 -4.3230 -3.8583 -3.8558 -0.2057 -0.2045 1.2481 1.2493 2.0934 2.0937 4.7781 4.7788 11.0239 11.0246 11.3282 11.3294 13.0677 13.0692 k = 0.1136 0.5715 0.4387 ( 3269 PWs) bands (ev): -47.3203 -47.3203 -22.0831 -22.0829 -19.3792 -19.3755 -19.2135 -19.2132 -19.1807 -19.1776 -17.5062 -17.5062 -7.6889 -7.6886 -4.6130 -4.6111 -4.3208 -4.3206 -3.8583 -3.8556 -0.1992 -0.1980 1.2499 1.2512 2.0907 2.0911 4.7827 4.7834 11.0340 11.0347 11.3356 11.3369 13.0473 13.0490 k = 0.1239 0.5774 0.4327 ( 3273 PWs) bands (ev): -47.3204 -47.3204 -22.0823 -22.0821 -19.3797 -19.3758 -19.2138 -19.2135 -19.1816 -19.1781 -17.5066 -17.5066 -7.6922 -7.6918 -4.6098 -4.6077 -4.3182 -4.3179 -3.8584 -3.8555 -0.1923 -0.1909 1.2519 1.2533 2.0880 2.0884 4.7877 4.7885 11.0446 11.0454 11.3437 11.3450 13.0251 13.0269 k = 0.1342 0.5834 0.4267 ( 3269 PWs) bands (ev): -47.3204 -47.3204 -22.0815 -22.0813 -19.3803 -19.3760 -19.2141 -19.2139 -19.1824 -19.1787 -17.5071 -17.5071 -7.6957 -7.6952 -4.6063 -4.6040 -4.3154 -4.3151 -3.8585 -3.8554 -0.1848 -0.1834 1.2541 1.2555 2.0851 2.0856 4.7932 4.7941 11.0556 11.0565 11.3522 11.3537 13.0011 13.0031 k = 0.1445 0.5894 0.4207 ( 3271 PWs) bands (ev): -47.3204 -47.3204 -22.0807 -22.0804 -19.3808 -19.3764 -19.2145 -19.2144 -19.1833 -19.1792 -17.5076 -17.5076 -7.6994 -7.6989 -4.6024 -4.6000 -4.3125 -4.3122 -3.8589 -3.8556 -0.1769 -0.1754 1.2565 1.2580 2.0822 2.0827 4.7993 4.8002 11.0669 11.0679 11.3613 11.3628 12.9753 12.9775 k = 0.1549 0.5954 0.4147 ( 3271 PWs) bands (ev): -47.3204 -47.3204 -22.0798 -22.0796 -19.3814 -19.3767 -19.2148 -19.2148 -19.1842 -19.1798 -17.5082 -17.5082 -7.7033 -7.7028 -4.5982 -4.5956 -4.3094 -4.3091 -3.8593 -3.8558 -0.1685 -0.1669 1.2590 1.2607 2.0793 2.0799 4.8058 4.8069 11.0783 11.0794 11.3710 11.3725 12.9477 12.9501 k = 0.1652 0.6014 0.4087 ( 3275 PWs) bands (ev): -47.3204 -47.3204 -22.0790 -22.0787 -19.3820 -19.3771 -19.2153 -19.2152 -19.1852 -19.1805 -17.5087 -17.5087 -7.7074 -7.7069 -4.5935 -4.5909 -4.3063 -4.3059 -3.8599 -3.8563 -0.1597 -0.1580 1.2617 1.2635 2.0764 2.0770 4.8130 4.8140 11.0896 11.0908 11.3811 11.3827 12.9184 12.9209 k = 0.1755 0.6074 0.4027 ( 3271 PWs) bands (ev): -47.3204 -47.3204 -22.0781 -22.0778 -19.3826 -19.3775 -19.2158 -19.2156 -19.1861 -19.1811 -17.5093 -17.5093 -7.7117 -7.7112 -4.5886 -4.5858 -4.3030 -4.3027 -3.8606 -3.8569 -0.1505 -0.1487 1.2647 1.2665 2.0735 2.0741 4.8206 4.8218 11.1007 11.1020 11.3919 11.3934 12.8873 12.8899 k = 0.1858 0.6133 0.3967 ( 3267 PWs) bands (ev): -47.3204 -47.3204 -22.0772 -22.0769 -19.3832 -19.3779 -19.2163 -19.2159 -19.1871 -19.1817 -17.5098 -17.5098 -7.7162 -7.7156 -4.5832 -4.5803 -4.2997 -4.2993 -3.8616 -3.8577 -0.1409 -0.1390 1.2678 1.2697 2.0707 2.0713 4.8289 4.8301 11.1113 11.1127 11.4032 11.4047 12.8544 12.8572 k = 0.1961 0.6193 0.3907 ( 3271 PWs) bands (ev): -47.3204 -47.3204 -22.0763 -22.0760 -19.3838 -19.3784 -19.2169 -19.2163 -19.1880 -19.1823 -17.5104 -17.5104 -7.7208 -7.7203 -4.5775 -4.5745 -4.2964 -4.2960 -3.8627 -3.8587 -0.1311 -0.1291 1.2711 1.2731 2.0679 2.0686 4.8377 4.8389 11.1212 11.1228 11.4152 11.4166 12.8198 12.8226 k = 0.2065 0.6253 0.3847 ( 3272 PWs) bands (ev): -47.3204 -47.3204 -22.0754 -22.0751 -19.3845 -19.3789 -19.2175 -19.2167 -19.1889 -19.1829 -17.5110 -17.5110 -7.7256 -7.7250 -4.5714 -4.5683 -4.2930 -4.2926 -3.8641 -3.8599 -0.1209 -0.1188 1.2745 1.2766 2.0653 2.0659 4.8470 4.8482 11.1301 11.1319 11.4279 11.4291 12.7833 12.7862 k = 0.2168 0.6313 0.3787 ( 3268 PWs) bands (ev): -47.3205 -47.3205 -22.0745 -22.0742 -19.3851 -19.3793 -19.2181 -19.2171 -19.1898 -19.1834 -17.5116 -17.5116 -7.7305 -7.7299 -4.5650 -4.5618 -4.2896 -4.2892 -3.8656 -3.8613 -0.1105 -0.1083 1.2781 1.2803 2.0627 2.0634 4.8569 4.8582 11.1378 11.1398 11.4413 11.4424 12.7451 12.7481 k = 0.2271 0.6373 0.3727 ( 3270 PWs) bands (ev): -47.3205 -47.3205 -22.0737 -22.0733 -19.3857 -19.3799 -19.2187 -19.2175 -19.1907 -19.1840 -17.5122 -17.5122 -7.7356 -7.7349 -4.5582 -4.5549 -4.2863 -4.2858 -3.8673 -3.8629 -0.0998 -0.0976 1.2819 1.2841 2.0603 2.0610 4.8673 4.8686 11.1442 11.1464 11.4554 11.4563 12.7052 12.7082 k = 0.2374 0.6433 0.3667 ( 3268 PWs) bands (ev): -47.3205 -47.3205 -22.0729 -22.0725 -19.3863 -19.3804 -19.2193 -19.2179 -19.1915 -19.1845 -17.5127 -17.5127 -7.7407 -7.7400 -4.5510 -4.5476 -4.2829 -4.2825 -3.8692 -3.8647 -0.0890 -0.0867 1.2858 1.2881 2.0581 2.0588 4.8782 4.8796 11.1490 11.1514 11.4701 11.4709 12.6636 12.6666 k = 0.2478 0.6493 0.3607 ( 3262 PWs) bands (ev): -47.3205 -47.3205 -22.0721 -22.0717 -19.3868 -19.3809 -19.2200 -19.2182 -19.1922 -19.1850 -17.5133 -17.5133 -7.7459 -7.7452 -4.5434 -4.5400 -4.2797 -4.2792 -3.8712 -3.8667 -0.0780 -0.0757 1.2898 1.2921 2.0560 2.0567 4.8897 4.8911 11.1521 11.1547 11.4855 11.4860 12.6204 12.6234 k = 0.2581 0.6552 0.3547 ( 3262 PWs) bands (ev): -47.3205 -47.3205 -22.0713 -22.0710 -19.3874 -19.3814 -19.2206 -19.2187 -19.1930 -19.1854 -17.5139 -17.5139 -7.7512 -7.7505 -4.5356 -4.5321 -4.2765 -4.2760 -3.8735 -3.8689 -0.0670 -0.0646 1.2939 1.2963 2.0540 2.0548 4.9017 4.9031 11.1534 11.1561 11.5011 11.5015 12.5760 12.5790 k = 0.2684 0.6612 0.3488 ( 3258 PWs) bands (ev): -47.3205 -47.3205 -22.0706 -22.0703 -19.3880 -19.3820 -19.2213 -19.2191 -19.1936 -19.1858 -17.5144 -17.5144 -7.7565 -7.7558 -4.5274 -4.5239 -4.2734 -4.2729 -3.8759 -3.8712 -0.0558 -0.0533 1.2981 1.3005 2.0523 2.0531 4.9141 4.9155 11.1527 11.1556 11.5169 11.5171 12.5306 12.5335 k = 0.2787 0.6672 0.3428 ( 3263 PWs) bands (ev): -47.3206 -47.3206 -22.0700 -22.0696 -19.3886 -19.3825 -19.2219 -19.2195 -19.1942 -19.1862 -17.5149 -17.5149 -7.7618 -7.7611 -4.5189 -4.5153 -4.2704 -4.2699 -3.8785 -3.8738 -0.0446 -0.0421 1.3023 1.3048 2.0506 2.0515 4.9269 4.9284 11.1501 11.1531 11.5322 11.5322 12.4847 12.4875 k = 0.2891 0.6732 0.3368 ( 3260 PWs) bands (ev): -47.3206 -47.3206 -22.0694 -22.0691 -19.3891 -19.3831 -19.2226 -19.2200 -19.1947 -19.1865 -17.5154 -17.5154 -7.7671 -7.7664 -4.5100 -4.5064 -4.2676 -4.2671 -3.8812 -3.8764 -0.0333 -0.0308 1.3066 1.3091 2.0492 2.0500 4.9402 4.9417 11.1456 11.1487 11.5464 11.5465 12.4389 12.4415 k = 0.2994 0.6792 0.3308 ( 3260 PWs) bands (ev): -47.3206 -47.3206 -22.0690 -22.0686 -19.3896 -19.3836 -19.2232 -19.2204 -19.1951 -19.1868 -17.5158 -17.5158 -7.7725 -7.7717 -4.5009 -4.4973 -4.2649 -4.2644 -3.8840 -3.8792 -0.0221 -0.0195 1.3109 1.3135 2.0479 2.0488 4.9538 4.9553 11.1392 11.1424 11.5587 11.5590 12.3941 12.3967 k = 0.3097 0.6852 0.3248 ( 3266 PWs) bands (ev): -47.3206 -47.3206 -22.0685 -22.0682 -19.3901 -19.3842 -19.2238 -19.2209 -19.1955 -19.1871 -17.5162 -17.5162 -7.7778 -7.7771 -4.4915 -4.4879 -4.2624 -4.2619 -3.8869 -3.8821 -0.0109 -0.0084 1.3151 1.3177 2.0468 2.0476 4.9678 4.9693 11.1310 11.1341 11.5682 11.5685 12.3516 12.3540 k = 0.3200 0.6911 0.3188 ( 3262 PWs) bands (ev): -47.3206 -47.3206 -22.0682 -22.0678 -19.3905 -19.3847 -19.2244 -19.2213 -19.1957 -19.1872 -17.5166 -17.5166 -7.7831 -7.7823 -4.4818 -4.4782 -4.2601 -4.2596 -3.8899 -3.8851 0.0002 0.0028 1.3193 1.3219 2.0458 2.0467 4.9821 4.9835 11.1209 11.1240 11.5734 11.5738 12.3128 12.3151 k = 0.3303 0.6971 0.3128 ( 3262 PWs) bands (ev): -47.3207 -47.3207 -22.0679 -22.0676 -19.3910 -19.3852 -19.2250 -19.2218 -19.1959 -19.1873 -17.5170 -17.5170 -7.7883 -7.7875 -4.4718 -4.4682 -4.2580 -4.2575 -3.8929 -3.8881 0.0112 0.0138 1.3234 1.3260 2.0450 2.0459 4.9966 4.9980 11.1090 11.1121 11.5728 11.5733 12.2796 12.2816 k = 0.3407 0.7031 0.3068 ( 3256 PWs) bands (ev): -47.3207 -47.3207 -22.0678 -22.0674 -19.3913 -19.3857 -19.2256 -19.2222 -19.1960 -19.1874 -17.5173 -17.5172 -7.7934 -7.7926 -4.4616 -4.4580 -4.2561 -4.2556 -3.8960 -3.8912 0.0220 0.0247 1.3274 1.3300 2.0443 2.0452 5.0113 5.0127 11.0954 11.0983 11.5650 11.5655 12.2536 12.2555 k = 0.3510 0.7091 0.3008 ( 3248 PWs) bands (ev): -47.3207 -47.3207 -22.0677 -22.0674 -19.3917 -19.3861 -19.2260 -19.2226 -19.1959 -19.1873 -17.5175 -17.5175 -7.7984 -7.7976 -4.4512 -4.4476 -4.2545 -4.2540 -3.8991 -3.8943 0.0328 0.0354 1.3312 1.3338 2.0437 2.0446 5.0262 5.0276 11.0798 11.0827 11.5488 11.5492 12.2364 12.2382 k = 0.3510 0.7091 0.3008 ( 3248 PWs) bands (ev): -47.3207 -47.3207 -22.0677 -22.0674 -19.3917 -19.3861 -19.2260 -19.2226 -19.1959 -19.1873 -17.5175 -17.5175 -7.7984 -7.7976 -4.4512 -4.4476 -4.2545 -4.2540 -3.8991 -3.8943 0.0328 0.0354 1.3312 1.3338 2.0437 2.0446 5.0262 5.0276 11.0798 11.0827 11.5488 11.5492 12.2364 12.2382 k = 0.3565 0.7043 0.2896 ( 3256 PWs) bands (ev): -47.3207 -47.3207 -22.0677 -22.0674 -19.3924 -19.3870 -19.2270 -19.2235 -19.1958 -19.1874 -17.5179 -17.5179 -7.8075 -7.8068 -4.4314 -4.4278 -4.2518 -4.2513 -3.9048 -3.9001 0.0526 0.0552 1.3379 1.3406 2.0426 2.0435 5.0540 5.0554 11.0482 11.0507 11.5090 11.5092 12.1871 12.1909 k = 0.3620 0.6996 0.2785 ( 3248 PWs) bands (ev): -47.3208 -47.3208 -22.0678 -22.0674 -19.3930 -19.3879 -19.2279 -19.2243 -19.1956 -19.1873 -17.5182 -17.5182 -7.8166 -7.8159 -4.4111 -4.4075 -4.2492 -4.2487 -3.9105 -3.9059 0.0728 0.0754 1.3445 1.3471 2.0414 2.0423 5.0821 5.0835 11.0149 11.0171 11.4663 11.4663 12.1200 12.1237 k = 0.3676 0.6948 0.2674 ( 3252 PWs) bands (ev): -47.3208 -47.3208 -22.0679 -22.0675 -19.3937 -19.3888 -19.2288 -19.2251 -19.1955 -19.1873 -17.5185 -17.5185 -7.8256 -7.8248 -4.3904 -4.3869 -4.2467 -4.2462 -3.9162 -3.9117 0.0931 0.0957 1.3507 1.3533 2.0400 2.0410 5.1104 5.1117 10.9804 10.9823 11.4205 11.4206 12.0542 12.0578 k = 0.3731 0.6901 0.2562 ( 3252 PWs) bands (ev): -47.3209 -47.3209 -22.0680 -22.0677 -19.3944 -19.3897 -19.2297 -19.2260 -19.1952 -19.1872 -17.5188 -17.5188 -7.8344 -7.8336 -4.3695 -4.3660 -4.2444 -4.2439 -3.9219 -3.9175 0.1136 0.1161 1.3567 1.3593 2.0386 2.0395 5.1388 5.1400 10.9451 10.9467 11.3719 11.3722 11.9899 11.9934 k = 0.3786 0.6853 0.2451 ( 3252 PWs) bands (ev): -47.3209 -47.3209 -22.0682 -22.0679 -19.3951 -19.3907 -19.2306 -19.2268 -19.1949 -19.1871 -17.5191 -17.5191 -7.8430 -7.8423 -4.3484 -4.3450 -4.2422 -4.2417 -3.9276 -3.9232 0.1340 0.1365 1.3625 1.3650 2.0371 2.0380 5.1671 5.1683 10.9091 10.9104 11.3210 11.3214 11.9273 11.9306 k = 0.3841 0.6806 0.2339 ( 3260 PWs) bands (ev): -47.3210 -47.3210 -22.0684 -22.0681 -19.3959 -19.3917 -19.2314 -19.2277 -19.1947 -19.1871 -17.5193 -17.5193 -7.8515 -7.8508 -4.3273 -4.3239 -4.2402 -4.2397 -3.9332 -3.9289 0.1543 0.1568 1.3680 1.3705 2.0355 2.0364 5.1952 5.1964 10.8727 10.8738 11.2682 11.2688 11.8664 11.8696 k = 0.3896 0.6758 0.2228 ( 3260 PWs) bands (ev): -47.3210 -47.3210 -22.0686 -22.0683 -19.3966 -19.3926 -19.2322 -19.2285 -19.1943 -19.1870 -17.5195 -17.5195 -7.8597 -7.8590 -4.3062 -4.3028 -4.2382 -4.2377 -3.9387 -3.9344 0.1745 0.1770 1.3733 1.3757 2.0338 2.0348 5.2232 5.2243 10.8362 10.8370 11.2143 11.2150 11.8074 11.8104 k = 0.3951 0.6711 0.2117 ( 3252 PWs) bands (ev): -47.3211 -47.3211 -22.0689 -22.0686 -19.3973 -19.3935 -19.2329 -19.2293 -19.1939 -19.1869 -17.5196 -17.5196 -7.8677 -7.8670 -4.2852 -4.2818 -4.2364 -4.2359 -3.9441 -3.9399 0.1945 0.1969 1.3783 1.3807 2.0322 2.0331 5.2507 5.2518 10.7995 10.8001 11.1597 11.1605 11.7504 11.7532 k = 0.4007 0.6663 0.2005 ( 3260 PWs) bands (ev): -47.3211 -47.3211 -22.0692 -22.0689 -19.3981 -19.3945 -19.2336 -19.2301 -19.1935 -19.1868 -17.5197 -17.5197 -7.8754 -7.8748 -4.2646 -4.2611 -4.2346 -4.2341 -3.9493 -3.9452 0.2141 0.2164 1.3831 1.3854 2.0305 2.0313 5.2778 5.2788 10.7627 10.7631 11.1053 11.1062 11.6954 11.6982 k = 0.4062 0.6616 0.1894 ( 3260 PWs) bands (ev): -47.3212 -47.3212 -22.0695 -22.0692 -19.3988 -19.3955 -19.2343 -19.2309 -19.1931 -19.1867 -17.5199 -17.5198 -7.8829 -7.8823 -4.2447 -4.2410 -4.2328 -4.2321 -3.9545 -3.9503 0.2333 0.2356 1.3876 1.3898 2.0287 2.0296 5.3042 5.3052 10.7259 10.7261 11.0517 11.0528 11.6427 11.6453 k = 0.4117 0.6568 0.1782 ( 3256 PWs) bands (ev): -47.3212 -47.3212 -22.0698 -22.0695 -19.3995 -19.3964 -19.2349 -19.2316 -19.1927 -19.1866 -17.5199 -17.5199 -7.8900 -7.8894 -4.2322 -4.2319 -4.2232 -4.2205 -3.9594 -3.9553 0.2520 0.2542 1.3918 1.3940 2.0270 2.0279 5.3299 5.3308 10.6892 10.6892 10.9997 11.0008 11.5923 11.5948 k = 0.4172 0.6521 0.1671 ( 3256 PWs) bands (ev): -47.3213 -47.3213 -22.0701 -22.0698 -19.4002 -19.3973 -19.2355 -19.2323 -19.1922 -19.1865 -17.5200 -17.5200 -7.8968 -7.8963 -4.2304 -4.2302 -4.2045 -4.2013 -3.9641 -3.9601 0.2701 0.2722 1.3957 1.3978 2.0254 2.0261 5.3548 5.3556 10.6523 10.6524 10.9498 10.9510 11.5444 11.5467 k = 0.4227 0.6473 0.1560 ( 3256 PWs) bands (ev): -47.3213 -47.3213 -22.0704 -22.0701 -19.4008 -19.3982 -19.2360 -19.2330 -19.1918 -19.1864 -17.5201 -17.5201 -7.9033 -7.9028 -4.2291 -4.2288 -4.1859 -4.1826 -3.9687 -3.9647 0.2875 0.2895 1.3994 1.4014 2.0237 2.0245 5.3787 5.3795 10.6155 10.6158 10.9026 10.9039 11.4990 11.5011 k = 0.4283 0.6426 0.1448 ( 3252 PWs) bands (ev): -47.3214 -47.3214 -22.0707 -22.0704 -19.4015 -19.3990 -19.2365 -19.2336 -19.1913 -19.1862 -17.5201 -17.5201 -7.9094 -7.9089 -4.2278 -4.2276 -4.1680 -4.1646 -3.9730 -3.9690 0.3042 0.3061 1.4029 1.4048 2.0221 2.0228 5.4016 5.4023 10.5790 10.5794 10.8587 10.8599 11.4562 11.4582 k = 0.4338 0.6378 0.1337 ( 3248 PWs) bands (ev): -47.3214 -47.3214 -22.0710 -22.0708 -19.4021 -19.3998 -19.2369 -19.2342 -19.1908 -19.1861 -17.5201 -17.5201 -7.9151 -7.9147 -4.2267 -4.2265 -4.1510 -4.1475 -3.9772 -3.9731 0.3200 0.3218 1.4061 1.4079 2.0206 2.0213 5.4233 5.4240 10.5430 10.5434 10.8182 10.8194 11.4162 11.4180 k = 0.4393 0.6331 0.1225 ( 3252 PWs) bands (ev): -47.3214 -47.3214 -22.0713 -22.0711 -19.4027 -19.4006 -19.2373 -19.2348 -19.1904 -19.1861 -17.5202 -17.5202 -7.9205 -7.9200 -4.2258 -4.2255 -4.1349 -4.1314 -3.9811 -3.9770 0.3348 0.3365 1.4090 1.4107 2.0191 2.0198 5.4437 5.4443 10.5077 10.5082 10.7813 10.7826 11.3790 11.3807 k = 0.4448 0.6283 0.1114 ( 3248 PWs) bands (ev): -47.3215 -47.3215 -22.0715 -22.0714 -19.4032 -19.4013 -19.2377 -19.2354 -19.1899 -19.1860 -17.5202 -17.5202 -7.9254 -7.9250 -4.2249 -4.2247 -4.1199 -4.1163 -3.9847 -3.9806 0.3487 0.3503 1.4116 1.4132 2.0178 2.0184 5.4628 5.4634 10.4736 10.4741 10.7482 10.7494 11.3447 11.3463 k = 0.4503 0.6236 0.1003 ( 3256 PWs) bands (ev): -47.3215 -47.3215 -22.0718 -22.0716 -19.4037 -19.4021 -19.2380 -19.2359 -19.1895 -19.1860 -17.5202 -17.5202 -7.9299 -7.9295 -4.2241 -4.2239 -4.1060 -4.1024 -3.9881 -3.9840 0.3615 0.3629 1.4140 1.4155 2.0165 2.0170 5.4803 5.4808 10.4411 10.4416 10.7188 10.7199 11.3135 11.3148 k = 0.4559 0.6188 0.0891 ( 3254 PWs) bands (ev): -47.3215 -47.3215 -22.0720 -22.0719 -19.4042 -19.4027 -19.2383 -19.2364 -19.1891 -19.1859 -17.5202 -17.5202 -7.9339 -7.9336 -4.2234 -4.2232 -4.0932 -4.0896 -3.9911 -3.9871 0.3731 0.3744 1.4162 1.4175 2.0153 2.0158 5.4963 5.4968 10.4106 10.4111 10.6929 10.6939 11.2853 11.2865 k = 0.4614 0.6141 0.0780 ( 3254 PWs) bands (ev): -47.3216 -47.3216 -22.0722 -22.0721 -19.4046 -19.4033 -19.2385 -19.2368 -19.1887 -19.1859 -17.5202 -17.5202 -7.9375 -7.9372 -4.2227 -4.2226 -4.0817 -4.0780 -3.9939 -3.9899 0.3836 0.3847 1.4181 1.4192 2.0143 2.0147 5.5106 5.5111 10.3826 10.3831 10.6705 10.6714 11.2603 11.2613 k = 0.4669 0.6093 0.0668 ( 3258 PWs) bands (ev): -47.3216 -47.3216 -22.0724 -22.0723 -19.4049 -19.4039 -19.2387 -19.2372 -19.1883 -19.1859 -17.5202 -17.5202 -7.9406 -7.9404 -4.2222 -4.2221 -4.0715 -4.0679 -3.9964 -3.9925 0.3927 0.3937 1.4197 1.4207 2.0133 2.0137 5.5232 5.5236 10.3576 10.3579 10.6514 10.6521 11.2384 11.2394 k = 0.4724 0.6046 0.0557 ( 3260 PWs) bands (ev): -47.3216 -47.3216 -22.0726 -22.0725 -19.4052 -19.4043 -19.2388 -19.2376 -19.1880 -19.1860 -17.5202 -17.5202 -7.9433 -7.9431 -4.2218 -4.2216 -4.0626 -4.0592 -3.9985 -3.9948 0.4006 0.4014 1.4211 1.4219 2.0125 2.0128 5.5340 5.5343 10.3357 10.3361 10.6354 10.6360 11.2199 11.2207 k = 0.4779 0.5998 0.0446 ( 3256 PWs) bands (ev): -47.3216 -47.3216 -22.0727 -22.0727 -19.4054 -19.4047 -19.2389 -19.2379 -19.1877 -19.1861 -17.5202 -17.5202 -7.9455 -7.9453 -4.2214 -4.2213 -4.0551 -4.0519 -4.0003 -3.9969 0.4071 0.4078 1.4223 1.4229 2.0119 2.0121 5.5429 5.5431 10.3175 10.3177 10.6225 10.6230 11.2047 11.2053 k = 0.4834 0.5951 0.0334 ( 3264 PWs) bands (ev): -47.3216 -47.3216 -22.0728 -22.0728 -19.4056 -19.4051 -19.2389 -19.2382 -19.1874 -19.1862 -17.5202 -17.5202 -7.9472 -7.9471 -4.2211 -4.2210 -4.0491 -4.0463 -4.0016 -3.9987 0.4122 0.4127 1.4232 1.4237 2.0114 2.0115 5.5498 5.5500 10.3031 10.3032 10.6125 10.6129 11.1928 11.1933 k = 0.4890 0.5903 0.0223 ( 3268 PWs) bands (ev): -47.3217 -47.3217 -22.0729 -22.0729 -19.4057 -19.4054 -19.2389 -19.2385 -19.1871 -19.1863 -17.5202 -17.5202 -7.9484 -7.9483 -4.2209 -4.2208 -4.0445 -4.0424 -4.0024 -4.0002 0.4159 0.4163 1.4238 1.4242 2.0110 2.0111 5.5549 5.5550 10.2926 10.2927 10.6055 10.6057 11.1843 11.1846 k = 0.4945 0.5856 0.0111 ( 3270 PWs) bands (ev): -47.3217 -47.3217 -22.0729 -22.0729 -19.4057 -19.4056 -19.2389 -19.2387 -19.1869 -19.1865 -17.5202 -17.5202 -7.9491 -7.9491 -4.2207 -4.2207 -4.0415 -4.0403 -4.0026 -4.0015 0.4182 0.4184 1.4243 1.4245 2.0108 2.0108 5.5579 5.5580 10.2863 10.2864 10.6013 10.6014 11.1793 11.1794 k = 0.5000 0.5808 0.0000 ( 3272 PWs) bands (ev): -47.3217 -47.3217 -22.0730 -22.0730 -19.4057 -19.4057 -19.2388 -19.2388 -19.1867 -19.1867 -17.5202 -17.5202 -7.9494 -7.9494 -4.2207 -4.2207 -4.0401 -4.0401 -4.0023 -4.0023 0.4190 0.4190 1.4245 1.4245 2.0107 2.0107 5.5589 5.5589 10.2842 10.2842 10.5999 10.5999 11.1776 11.1776 k = 0.5000 0.5808 0.0000 ( 3272 PWs) bands (ev): -47.3217 -47.3217 -22.0730 -22.0730 -19.4057 -19.4057 -19.2388 -19.2388 -19.1867 -19.1867 -17.5202 -17.5202 -7.9494 -7.9494 -4.2207 -4.2207 -4.0401 -4.0401 -4.0023 -4.0023 0.4190 0.4190 1.4245 1.4245 2.0107 2.0107 5.5589 5.5589 10.2842 10.2842 10.5999 10.5999 11.1776 11.1776 k = 0.4912 0.5706 0.0000 ( 3272 PWs) bands (ev): -47.3217 -47.3217 -22.0730 -22.0730 -19.4056 -19.4056 -19.2388 -19.2388 -19.1867 -19.1867 -17.5201 -17.5201 -7.9492 -7.9492 -4.2209 -4.2209 -4.0399 -4.0399 -4.0023 -4.0023 0.4188 0.4188 1.4241 1.4241 2.0106 2.0106 5.5586 5.5586 10.2787 10.2787 10.6021 10.6021 11.1795 11.1795 k = 0.4825 0.5605 0.0000 ( 3270 PWs) bands (ev): -47.3217 -47.3217 -22.0733 -22.0733 -19.4055 -19.4055 -19.2387 -19.2387 -19.1866 -19.1866 -17.5200 -17.5200 -7.9487 -7.9487 -4.2217 -4.2217 -4.0393 -4.0393 -4.0023 -4.0023 0.4181 0.4181 1.4228 1.4228 2.0104 2.0104 5.5575 5.5575 10.2627 10.2627 10.6081 10.6081 11.1853 11.1853 k = 0.4737 0.5503 0.0000 ( 3262 PWs) bands (ev): -47.3217 -47.3217 -22.0737 -22.0737 -19.4053 -19.4053 -19.2384 -19.2384 -19.1864 -19.1864 -17.5198 -17.5198 -7.9479 -7.9479 -4.2228 -4.2228 -4.0384 -4.0384 -4.0023 -4.0023 0.4169 0.4169 1.4207 1.4207 2.0100 2.0100 5.5558 5.5558 10.2374 10.2374 10.6173 10.6173 11.1948 11.1948 k = 0.4649 0.5401 0.0000 ( 3264 PWs) bands (ev): -47.3217 -47.3217 -22.0743 -22.0743 -19.4051 -19.4051 -19.2382 -19.2382 -19.1862 -19.1862 -17.5194 -17.5194 -7.9468 -7.9468 -4.2245 -4.2245 -4.0371 -4.0371 -4.0023 -4.0023 0.4153 0.4153 1.4177 1.4177 2.0094 2.0094 5.5534 5.5534 10.2043 10.2043 10.6288 10.6288 11.2081 11.2081 k = 0.4561 0.5299 0.0000 ( 3264 PWs) bands (ev): -47.3217 -47.3217 -22.0751 -22.0751 -19.4047 -19.4047 -19.2379 -19.2379 -19.1860 -19.1860 -17.5190 -17.5190 -7.9453 -7.9453 -4.2267 -4.2267 -4.0355 -4.0355 -4.0023 -4.0023 0.4133 0.4133 1.4139 1.4139 2.0086 2.0086 5.5503 5.5503 10.1648 10.1648 10.6421 10.6421 11.2253 11.2253 k = 0.4474 0.5197 0.0000 ( 3256 PWs) bands (ev): -47.3217 -47.3217 -22.0760 -22.0760 -19.4043 -19.4043 -19.2374 -19.2374 -19.1856 -19.1856 -17.5184 -17.5184 -7.9435 -7.9435 -4.2293 -4.2293 -4.0336 -4.0336 -4.0022 -4.0022 0.4108 0.4108 1.4093 1.4093 2.0077 2.0077 5.5465 5.5465 10.1202 10.1202 10.6567 10.6567 11.2462 11.2462 k = 0.4386 0.5095 0.0000 ( 3256 PWs) bands (ev): -47.3217 -47.3217 -22.0770 -22.0770 -19.4038 -19.4038 -19.2370 -19.2370 -19.1852 -19.1852 -17.5178 -17.5178 -7.9413 -7.9413 -4.2323 -4.2323 -4.0313 -4.0313 -4.0022 -4.0022 0.4079 0.4079 1.4038 1.4038 2.0065 2.0065 5.5420 5.5420 10.0716 10.0716 10.6725 10.6725 11.2708 11.2708 k = 0.4298 0.4993 0.0000 ( 3258 PWs) bands (ev): -47.3217 -47.3217 -22.0782 -22.0782 -19.4033 -19.4033 -19.2365 -19.2365 -19.1849 -19.1849 -17.5171 -17.5171 -7.9389 -7.9389 -4.2359 -4.2359 -4.0287 -4.0287 -4.0022 -4.0022 0.4045 0.4045 1.3976 1.3976 2.0051 2.0051 5.5369 5.5369 10.0198 10.0198 10.6895 10.6895 11.2992 11.2992 k = 0.4211 0.4891 0.0000 ( 3266 PWs) bands (ev): -47.3217 -47.3217 -22.0796 -22.0796 -19.4028 -19.4028 -19.2360 -19.2360 -19.1844 -19.1844 -17.5163 -17.5163 -7.9360 -7.9360 -4.2398 -4.2398 -4.0257 -4.0257 -4.0021 -4.0021 0.4008 0.4008 1.3906 1.3906 2.0034 2.0034 5.5312 5.5312 9.9655 9.9655 10.7077 10.7077 11.3312 11.3312 k = 0.4123 0.4789 0.0000 ( 3266 PWs) bands (ev): -47.3217 -47.3217 -22.0811 -22.0811 -19.4021 -19.4021 -19.2354 -19.2354 -19.1840 -19.1840 -17.5154 -17.5154 -7.9328 -7.9328 -4.2442 -4.2442 -4.0226 -4.0226 -4.0021 -4.0021 0.3966 0.3966 1.3829 1.3829 2.0015 2.0015 5.5249 5.5249 9.9094 9.9094 10.7272 10.7272 11.3670 11.3670 k = 0.4035 0.4687 0.0000 ( 3266 PWs) bands (ev): -47.3217 -47.3217 -22.0827 -22.0827 -19.4014 -19.4014 -19.2347 -19.2347 -19.1834 -19.1834 -17.5144 -17.5144 -7.9292 -7.9292 -4.2490 -4.2490 -4.0192 -4.0192 -4.0019 -4.0019 0.3921 0.3921 1.3745 1.3745 1.9994 1.9994 5.5179 5.5179 9.8520 9.8520 10.7481 10.7481 11.4063 11.4063 k = 0.3947 0.4586 0.0000 ( 3270 PWs) bands (ev): -47.3217 -47.3217 -22.0844 -22.0844 -19.4007 -19.4007 -19.2340 -19.2340 -19.1829 -19.1829 -17.5133 -17.5133 -7.9253 -7.9253 -4.2542 -4.2542 -4.0157 -4.0157 -4.0015 -4.0015 0.3872 0.3872 1.3655 1.3655 1.9969 1.9969 5.5104 5.5104 9.7937 9.7937 10.7705 10.7705 11.4492 11.4492 k = 0.3860 0.4484 0.0000 ( 3264 PWs) bands (ev): -47.3217 -47.3217 -22.0862 -22.0862 -19.3999 -19.3999 -19.2333 -19.2333 -19.1823 -19.1823 -17.5121 -17.5121 -7.9210 -7.9210 -4.2598 -4.2598 -4.0124 -4.0124 -4.0008 -4.0008 0.3819 0.3819 1.3557 1.3557 1.9943 1.9943 5.5024 5.5024 9.7348 9.7348 10.7945 10.7945 11.4957 11.4957 k = 0.3772 0.4382 0.0000 ( 3268 PWs) bands (ev): -47.3217 -47.3217 -22.0882 -22.0882 -19.3991 -19.3991 -19.2325 -19.2325 -19.1818 -19.1818 -17.5108 -17.5108 -7.9163 -7.9163 -4.2658 -4.2658 -4.0097 -4.0097 -3.9992 -3.9992 0.3763 0.3763 1.3454 1.3454 1.9912 1.9912 5.4938 5.4938 9.6757 9.6757 10.8202 10.8202 11.5457 11.5457 k = 0.3684 0.4280 0.0000 ( 3266 PWs) bands (ev): -47.3217 -47.3217 -22.0902 -22.0902 -19.3982 -19.3982 -19.2317 -19.2317 -19.1812 -19.1812 -17.5095 -17.5095 -7.9112 -7.9112 -4.2721 -4.2721 -4.0081 -4.0081 -3.9962 -3.9962 0.3704 0.3704 1.3346 1.3346 1.9878 1.9878 5.4847 5.4847 9.6167 9.6167 10.8476 10.8476 11.5991 11.5991 k = 0.3596 0.4178 0.0000 ( 3266 PWs) bands (ev): -47.3217 -47.3217 -22.0923 -22.0923 -19.3973 -19.3973 -19.2309 -19.2309 -19.1806 -19.1806 -17.5081 -17.5081 -7.9057 -7.9057 -4.2787 -4.2787 -4.0074 -4.0074 -3.9922 -3.9922 0.3642 0.3642 1.3232 1.3232 1.9841 1.9841 5.4752 5.4752 9.5581 9.5581 10.8768 10.8768 11.6560 11.6560 k = 0.3509 0.4076 0.0000 ( 3270 PWs) bands (ev): -47.3218 -47.3218 -22.0944 -22.0944 -19.3964 -19.3964 -19.2301 -19.2301 -19.1800 -19.1800 -17.5066 -17.5066 -7.8998 -7.8998 -4.2857 -4.2857 -4.0073 -4.0073 -3.9873 -3.9873 0.3577 0.3577 1.3113 1.3113 1.9800 1.9800 5.4652 5.4652 9.4999 9.4999 10.9078 10.9078 11.7161 11.7161 k = 0.3421 0.3974 0.0000 ( 3278 PWs) bands (ev): -47.3218 -47.3218 -22.0966 -22.0966 -19.3955 -19.3955 -19.2293 -19.2293 -19.1794 -19.1794 -17.5050 -17.5050 -7.8935 -7.8935 -4.2929 -4.2929 -4.0076 -4.0076 -3.9821 -3.9821 0.3509 0.3509 1.2990 1.2990 1.9754 1.9754 5.4548 5.4548 9.4423 9.4423 10.9407 10.9407 11.7796 11.7796 k = 0.3333 0.3872 0.0000 ( 3278 PWs) bands (ev): -47.3218 -47.3218 -22.0989 -22.0989 -19.3945 -19.3945 -19.2285 -19.2285 -19.1788 -19.1788 -17.5034 -17.5034 -7.8868 -7.8868 -4.3005 -4.3005 -4.0080 -4.0080 -3.9764 -3.9764 0.3439 0.3439 1.2862 1.2862 1.9705 1.9705 5.4440 5.4440 9.3856 9.3856 10.9755 10.9755 11.8463 11.8463 k = 0.3246 0.3770 0.0000 ( 3274 PWs) bands (ev): -47.3218 -47.3218 -22.1012 -22.1012 -19.3935 -19.3935 -19.2276 -19.2276 -19.1782 -19.1782 -17.5017 -17.5017 -7.8797 -7.8797 -4.3082 -4.3082 -4.0086 -4.0086 -3.9704 -3.9704 0.3367 0.3367 1.2732 1.2732 1.9652 1.9652 5.4329 5.4329 9.3299 9.3299 11.0122 11.0122 11.9161 11.9161 k = 0.3158 0.3668 0.0000 ( 3270 PWs) bands (ev): -47.3218 -47.3218 -22.1035 -22.1035 -19.3926 -19.3926 -19.2267 -19.2267 -19.1777 -19.1777 -17.4999 -17.4999 -7.8723 -7.8723 -4.3162 -4.3162 -4.0093 -4.0093 -3.9643 -3.9643 0.3294 0.3294 1.2598 1.2598 1.9595 1.9595 5.4215 5.4215 9.2753 9.2753 11.0508 11.0508 11.9890 11.9890 k = 0.3070 0.3567 0.0000 ( 3262 PWs) bands (ev): -47.3218 -47.3218 -22.1058 -22.1058 -19.3916 -19.3916 -19.2259 -19.2259 -19.1771 -19.1771 -17.4981 -17.4981 -7.8644 -7.8644 -4.3244 -4.3244 -4.0101 -4.0101 -3.9578 -3.9578 0.3218 0.3218 1.2462 1.2462 1.9534 1.9534 5.4098 5.4098 9.2219 9.2219 11.0914 11.0914 12.0650 12.0650 k = 0.2982 0.3465 0.0000 ( 3266 PWs) bands (ev): -47.3218 -47.3218 -22.1081 -22.1081 -19.3906 -19.3906 -19.2250 -19.2250 -19.1767 -19.1767 -17.4962 -17.4962 -7.8562 -7.8562 -4.3328 -4.3328 -4.0111 -4.0111 -3.9513 -3.9513 0.3141 0.3141 1.2323 1.2323 1.9468 1.9468 5.3979 5.3979 9.1698 9.1698 11.1338 11.1338 12.1439 12.1439 k = 0.2895 0.3363 0.0000 ( 3270 PWs) bands (ev): -47.3219 -47.3219 -22.1105 -22.1105 -19.3897 -19.3897 -19.2242 -19.2242 -19.1762 -19.1762 -17.4943 -17.4943 -7.8476 -7.8476 -4.3414 -4.3413 -4.0121 -4.0121 -3.9446 -3.9446 0.3063 0.3063 1.2182 1.2182 1.9398 1.9398 5.3857 5.3857 9.1190 9.1190 11.1782 11.1782 12.2257 12.2257 k = 0.2807 0.3261 0.0000 ( 3272 PWs) bands (ev): -47.3219 -47.3219 -22.1128 -22.1128 -19.3888 -19.3888 -19.2234 -19.2234 -19.1759 -19.1759 -17.4923 -17.4923 -7.8387 -7.8387 -4.3500 -4.3500 -4.0133 -4.0133 -3.9377 -3.9377 0.2984 0.2984 1.2040 1.2040 1.9323 1.9323 5.3734 5.3734 9.0697 9.0697 11.2243 11.2243 12.3103 12.3103 k = 0.2719 0.3159 0.0000 ( 3276 PWs) bands (ev): -47.3219 -47.3219 -22.1150 -22.1150 -19.3879 -19.3879 -19.2226 -19.2226 -19.1756 -19.1756 -17.4903 -17.4903 -7.8294 -7.8294 -4.3588 -4.3588 -4.0145 -4.0145 -3.9308 -3.9308 0.2904 0.2904 1.1897 1.1897 1.9245 1.9245 5.3610 5.3610 9.0219 9.0219 11.2723 11.2723 12.3976 12.3976 k = 0.2632 0.3057 0.0000 ( 3272 PWs) bands (ev): -47.3219 -47.3219 -22.1173 -22.1173 -19.3870 -19.3870 -19.2217 -19.2217 -19.1752 -19.1752 -17.4883 -17.4883 -7.8199 -7.8199 -4.3676 -4.3676 -4.0158 -4.0158 -3.9238 -3.9238 0.2824 0.2824 1.1754 1.1754 1.9162 1.9162 5.3484 5.3484 8.9757 8.9757 11.3220 11.3220 12.4875 12.4875 k = 0.2544 0.2955 0.0000 ( 3276 PWs) bands (ev): -47.3219 -47.3219 -22.1195 -22.1195 -19.3861 -19.3861 -19.2209 -19.2209 -19.1751 -19.1751 -17.4862 -17.4862 -7.8100 -7.8100 -4.3765 -4.3765 -4.0171 -4.0171 -3.9167 -3.9167 0.2743 0.2743 1.1611 1.1611 1.9075 1.9075 5.3358 5.3358 8.9311 8.9311 11.3734 11.3734 12.5799 12.5799 k = 0.2456 0.2853 0.0000 ( 3276 PWs) bands (ev): -47.3219 -47.3219 -22.1217 -22.1217 -19.3853 -19.3853 -19.2202 -19.2202 -19.1749 -19.1749 -17.4841 -17.4841 -7.7999 -7.7999 -4.3854 -4.3854 -4.0186 -4.0186 -3.9096 -3.9096 0.2663 0.2663 1.1468 1.1468 1.8984 1.8984 5.3232 5.3232 8.8881 8.8881 11.4264 11.4264 12.6749 12.6749 k = 0.2368 0.2751 0.0000 ( 3284 PWs) bands (ev): -47.3220 -47.3220 -22.1238 -22.1238 -19.3845 -19.3845 -19.2194 -19.2194 -19.1748 -19.1748 -17.4820 -17.4820 -7.7896 -7.7896 -4.3944 -4.3944 -4.0201 -4.0201 -3.9025 -3.9025 0.2582 0.2582 1.1326 1.1326 1.8890 1.8890 5.3106 5.3106 8.8469 8.8469 11.4809 11.4809 12.7721 12.7721 k = 0.2281 0.2649 0.0000 ( 3280 PWs) bands (ev): -47.3220 -47.3220 -22.1259 -22.1259 -19.3837 -19.3837 -19.2187 -19.2187 -19.1747 -19.1747 -17.4799 -17.4799 -7.7791 -7.7791 -4.4033 -4.4033 -4.0217 -4.0217 -3.8953 -3.8953 0.2503 0.2503 1.1185 1.1185 1.8793 1.8793 5.2980 5.2980 8.8073 8.8073 11.5368 11.5368 12.8716 12.8716 k = 0.2193 0.2548 0.0000 ( 3280 PWs) bands (ev): -47.3220 -47.3220 -22.1279 -22.1279 -19.3830 -19.3830 -19.2179 -19.2179 -19.1747 -19.1747 -17.4778 -17.4778 -7.7684 -7.7684 -4.4121 -4.4121 -4.0234 -4.0234 -3.8882 -3.8882 0.2424 0.2424 1.1046 1.1046 1.8692 1.8692 5.2856 5.2856 8.7695 8.7695 11.5940 11.5940 12.9732 12.9732 k = 0.2105 0.2446 0.0000 ( 3280 PWs) bands (ev): -47.3220 -47.3220 -22.1298 -22.1298 -19.3823 -19.3823 -19.2172 -19.2172 -19.1748 -19.1748 -17.4757 -17.4757 -7.7576 -7.7576 -4.4208 -4.4208 -4.0250 -4.0250 -3.8812 -3.8812 0.2346 0.2346 1.0909 1.0909 1.8590 1.8590 5.2733 5.2733 8.7335 8.7335 11.6524 11.6524 13.0769 13.0769 k = 0.2018 0.2344 0.0000 ( 3284 PWs) bands (ev): -47.3220 -47.3220 -22.1317 -22.1317 -19.3817 -19.3817 -19.2165 -19.2165 -19.1749 -19.1749 -17.4736 -17.4736 -7.7467 -7.7467 -4.4295 -4.4295 -4.0268 -4.0268 -3.8742 -3.8742 0.2269 0.2269 1.0775 1.0775 1.8485 1.8485 5.2611 5.2611 8.6992 8.6992 11.7118 11.7118 13.1824 13.1824 k = 0.1930 0.2242 0.0000 ( 3288 PWs) bands (ev): -47.3220 -47.3220 -22.1335 -22.1335 -19.3811 -19.3811 -19.2159 -19.2159 -19.1751 -19.1751 -17.4715 -17.4715 -7.7358 -7.7358 -4.4380 -4.4380 -4.0286 -4.0286 -3.8673 -3.8673 0.2194 0.2194 1.0643 1.0643 1.8378 1.8378 5.2492 5.2492 8.6667 8.6667 11.7721 11.7721 13.2897 13.2897 k = 0.1842 0.2140 0.0000 ( 3285 PWs) bands (ev): -47.3220 -47.3220 -22.1352 -22.1352 -19.3805 -19.3805 -19.2152 -19.2152 -19.1753 -19.1753 -17.4695 -17.4695 -7.7249 -7.7249 -4.4463 -4.4463 -4.0303 -4.0303 -3.8605 -3.8605 0.2120 0.2120 1.0515 1.0515 1.8270 1.8270 5.2375 5.2375 8.6359 8.6359 11.8331 11.8331 13.3985 13.3985 k = 0.1754 0.2038 0.0000 ( 3283 PWs) bands (ev): -47.3221 -47.3221 -22.1368 -22.1368 -19.3800 -19.3800 -19.2146 -19.2146 -19.1755 -19.1755 -17.4675 -17.4675 -7.7141 -7.7141 -4.4544 -4.4544 -4.0321 -4.0321 -3.8539 -3.8539 0.2049 0.2049 1.0390 1.0390 1.8162 1.8162 5.2260 5.2260 8.6068 8.6068 11.8947 11.8947 13.5088 13.5088 k = 0.1667 0.1936 0.0000 ( 3287 PWs) bands (ev): -47.3221 -47.3221 -22.1384 -22.1384 -19.3795 -19.3795 -19.2141 -19.2141 -19.1758 -19.1758 -17.4655 -17.4655 -7.7033 -7.7033 -4.4624 -4.4624 -4.0339 -4.0339 -3.8475 -3.8475 0.1979 0.1979 1.0269 1.0269 1.8053 1.8053 5.2149 5.2149 8.5795 8.5795 11.9565 11.9565 13.6203 13.6203 k = 0.1579 0.1834 0.0000 ( 3295 PWs) bands (ev): -47.3221 -47.3221 -22.1398 -22.1398 -19.3791 -19.3791 -19.2135 -19.2135 -19.1762 -19.1762 -17.4636 -17.4636 -7.6927 -7.6927 -4.4701 -4.4701 -4.0357 -4.0357 -3.8412 -3.8412 0.1912 0.1912 1.0152 1.0152 1.7945 1.7945 5.2041 5.2041 8.5539 8.5539 12.0184 12.0184 13.7328 13.7328 k = 0.1491 0.1732 0.0000 ( 3295 PWs) bands (ev): -47.3221 -47.3221 -22.1412 -22.1412 -19.3787 -19.3787 -19.2130 -19.2130 -19.1765 -19.1765 -17.4617 -17.4617 -7.6823 -7.6823 -4.4775 -4.4775 -4.0375 -4.0375 -3.8351 -3.8351 0.1847 0.1847 1.0040 1.0040 1.7838 1.7838 5.1938 5.1938 8.5299 8.5299 12.0802 12.0802 13.8460 13.8460 k = 0.1404 0.1630 0.0000 ( 3291 PWs) bands (ev): -47.3221 -47.3221 -22.1425 -22.1425 -19.3783 -19.3783 -19.2125 -19.2125 -19.1768 -19.1768 -17.4599 -17.4599 -7.6721 -7.6721 -4.4846 -4.4846 -4.0392 -4.0392 -3.8293 -3.8293 0.1785 0.1785 0.9933 0.9933 1.7732 1.7732 5.1838 5.1838 8.5076 8.5076 12.1416 12.1416 13.9596 13.9596 k = 0.1316 0.1529 0.0000 ( 3289 PWs) bands (ev): -47.3221 -47.3221 -22.1437 -22.1437 -19.3779 -19.3779 -19.2120 -19.2120 -19.1772 -19.1772 -17.4582 -17.4582 -7.6623 -7.6623 -4.4914 -4.4914 -4.0409 -4.0409 -3.8237 -3.8237 0.1725 0.1725 0.9831 0.9831 1.7629 1.7629 5.1742 5.1742 8.4869 8.4869 12.2023 12.2023 14.0731 14.0731 k = 0.1228 0.1427 0.0000 ( 3289 PWs) bands (ev): -47.3221 -47.3221 -22.1448 -22.1448 -19.3776 -19.3776 -19.2116 -19.2116 -19.1776 -19.1776 -17.4565 -17.4565 -7.6528 -7.6528 -4.4979 -4.4979 -4.0425 -4.0425 -3.8184 -3.8184 0.1669 0.1669 0.9734 0.9734 1.7529 1.7529 5.1652 5.1652 8.4678 8.4678 12.2620 12.2620 14.1859 14.1859 k = 0.1140 0.1325 0.0000 ( 3289 PWs) bands (ev): -47.3221 -47.3221 -22.1459 -22.1459 -19.3774 -19.3774 -19.2112 -19.2112 -19.1779 -19.1779 -17.4549 -17.4549 -7.6437 -7.6437 -4.5040 -4.5040 -4.0441 -4.0441 -3.8133 -3.8133 0.1616 0.1616 0.9643 0.9643 1.7432 1.7432 5.1566 5.1566 8.4503 8.4503 12.3203 12.3203 14.2970 14.2970 k = 0.1053 0.1223 0.0000 ( 3289 PWs) bands (ev): -47.3221 -47.3221 -22.1468 -22.1468 -19.3771 -19.3771 -19.2108 -19.2108 -19.1783 -19.1783 -17.4535 -17.4535 -7.6350 -7.6350 -4.5098 -4.5098 -4.0456 -4.0456 -3.8086 -3.8086 0.1566 0.1566 0.9557 0.9557 1.7340 1.7340 5.1486 5.1486 8.4342 8.4342 12.3769 12.3769 14.3660 14.3660 k = 0.0965 0.1121 0.0000 ( 3289 PWs) bands (ev): -47.3222 -47.3222 -22.1477 -22.1477 -19.3769 -19.3769 -19.2105 -19.2105 -19.1787 -19.1787 -17.4521 -17.4521 -7.6268 -7.6268 -4.5152 -4.5152 -4.0470 -4.0470 -3.8041 -3.8041 0.1520 0.1520 0.9478 0.9478 1.7252 1.7252 5.1411 5.1411 8.4196 8.4196 12.4314 12.4314 14.3736 14.3736 k = 0.0877 0.1019 0.0000 ( 3289 PWs) bands (ev): -47.3222 -47.3222 -22.1485 -22.1485 -19.3768 -19.3768 -19.2102 -19.2102 -19.1790 -19.1790 -17.4508 -17.4508 -7.6192 -7.6192 -4.5202 -4.5202 -4.0483 -4.0483 -3.8000 -3.8000 0.1477 0.1477 0.9405 0.9405 1.7169 1.7169 5.1341 5.1341 8.4065 8.4065 12.4833 12.4833 14.3797 14.3797 k = 0.0789 0.0917 0.0000 ( 3295 PWs) bands (ev): -47.3222 -47.3222 -22.1492 -22.1492 -19.3767 -19.3767 -19.2099 -19.2099 -19.1794 -19.1794 -17.4496 -17.4496 -7.6122 -7.6122 -4.5247 -4.5247 -4.0496 -4.0496 -3.7963 -3.7963 0.1438 0.1438 0.9338 0.9338 1.7093 1.7093 5.1278 5.1278 8.3947 8.3947 12.5323 12.5323 14.3847 14.3847 k = 0.0702 0.0815 0.0000 ( 3297 PWs) bands (ev): -47.3222 -47.3222 -22.1499 -22.1499 -19.3765 -19.3765 -19.2097 -19.2097 -19.1797 -19.1797 -17.4485 -17.4485 -7.6058 -7.6058 -4.5288 -4.5288 -4.0507 -4.0507 -3.7929 -3.7929 0.1403 0.1403 0.9278 0.9278 1.7023 1.7023 5.1220 5.1220 8.3842 8.3842 12.5779 12.5779 14.3887 14.3887 k = 0.0614 0.0713 0.0000 ( 3299 PWs) bands (ev): -47.3222 -47.3222 -22.1504 -22.1504 -19.3764 -19.3764 -19.2095 -19.2095 -19.1800 -19.1800 -17.4476 -17.4476 -7.6000 -7.6000 -4.5325 -4.5325 -4.0517 -4.0517 -3.7899 -3.7899 0.1371 0.1371 0.9225 0.9225 1.6960 1.6960 5.1169 5.1169 8.3751 8.3751 12.6195 12.6195 14.3919 14.3919 k = 0.0526 0.0611 0.0000 ( 3299 PWs) bands (ev): -47.3222 -47.3222 -22.1509 -22.1509 -19.3764 -19.3764 -19.2093 -19.2093 -19.1802 -19.1802 -17.4467 -17.4467 -7.5949 -7.5949 -4.5357 -4.5357 -4.0526 -4.0525 -3.7872 -3.7872 0.1344 0.1344 0.9178 0.9178 1.6904 1.6904 5.1125 5.1125 8.3673 8.3673 12.6569 12.6569 14.3944 14.3944 k = 0.0439 0.0510 0.0000 ( 3287 PWs) bands (ev): -47.3222 -47.3222 -22.1513 -22.1513 -19.3762 -19.3762 -19.2091 -19.2091 -19.1803 -19.1803 -17.4460 -17.4460 -7.5906 -7.5906 -4.5384 -4.5384 -4.0533 -4.0533 -3.7849 -3.7849 0.1320 0.1320 0.9139 0.9139 1.6856 1.6856 5.1087 5.1087 8.3608 8.3608 12.6894 12.6894 14.3964 14.3964 k = 0.0351 0.0408 0.0000 ( 3285 PWs) bands (ev): -47.3222 -47.3222 -22.1516 -22.1516 -19.3762 -19.3762 -19.2090 -19.2090 -19.1805 -19.1805 -17.4454 -17.4454 -7.5870 -7.5870 -4.5406 -4.5406 -4.0539 -4.0539 -3.7830 -3.7830 0.1301 0.1301 0.9106 0.9106 1.6817 1.6817 5.1056 5.1056 8.3554 8.3554 12.7167 12.7167 14.3979 14.3979 k = 0.0263 0.0306 0.0000 ( 3277 PWs) bands (ev): -47.3222 -47.3222 -22.1519 -22.1519 -19.3761 -19.3761 -19.2089 -19.2089 -19.1806 -19.1806 -17.4449 -17.4449 -7.5842 -7.5842 -4.5424 -4.5424 -4.0544 -4.0544 -3.7815 -3.7815 0.1286 0.1286 0.9081 0.9081 1.6786 1.6786 5.1032 5.1032 8.3513 8.3513 12.7383 12.7383 14.3990 14.3990 k = 0.0175 0.0204 0.0000 ( 3269 PWs) bands (ev): -47.3222 -47.3222 -22.1521 -22.1521 -19.3760 -19.3760 -19.2087 -19.2087 -19.1807 -19.1807 -17.4446 -17.4446 -7.5822 -7.5822 -4.5436 -4.5436 -4.0547 -4.0547 -3.7805 -3.7805 0.1276 0.1276 0.9063 0.9063 1.6764 1.6764 5.1014 5.1014 8.3484 8.3484 12.7540 12.7540 14.3998 14.3998 k = 0.0088 0.0102 0.0000 ( 3269 PWs) bands (ev): -47.3222 -47.3222 -22.1522 -22.1522 -19.3760 -19.3760 -19.2087 -19.2087 -19.1807 -19.1807 -17.4444 -17.4444 -7.5810 -7.5810 -4.5444 -4.5444 -4.0549 -4.0549 -3.7799 -3.7799 0.1270 0.1270 0.9052 0.9052 1.6750 1.6750 5.1004 5.1004 8.3466 8.3466 12.7636 12.7636 14.4002 14.4002 k = 0.0000 0.0000 0.0000 ( 3269 PWs) bands (ev): -47.3222 -47.3222 -22.1522 -22.1522 -19.3760 -19.3760 -19.2087 -19.2087 -19.1807 -19.1807 -17.4443 -17.4443 -7.5806 -7.5806 -4.5446 -4.5446 -4.0550 -4.0550 -3.7796 -3.7796 0.1268 0.1268 0.9049 0.9049 1.6746 1.6746 5.1000 5.1000 8.3460 8.3460 12.7668 12.7668 14.4003 14.4003 k = 0.0000 0.0000 0.0000 ( 3269 PWs) bands (ev): -47.3222 -47.3222 -22.1522 -22.1522 -19.3760 -19.3760 -19.2087 -19.2087 -19.1807 -19.1807 -17.4443 -17.4443 -7.5806 -7.5806 -4.5446 -4.5446 -4.0550 -4.0550 -3.7796 -3.7796 0.1268 0.1268 0.9049 0.9049 1.6746 1.6746 5.1000 5.1000 8.3460 8.3460 12.7668 12.7668 14.4003 14.4003 k = 0.0085-0.0073 0.0074 ( 3265 PWs) bands (ev): -47.3222 -47.3222 -22.1522 -22.1522 -19.3760 -19.3759 -19.2087 -19.2085 -19.1808 -19.1807 -17.4446 -17.4446 -7.5802 -7.5802 -4.5473 -4.5466 -4.0530 -4.0521 -3.7799 -3.7799 0.1269 0.1269 0.9030 0.9036 1.6750 1.6759 5.1005 5.1005 8.3476 8.3478 12.7680 12.7685 14.3858 14.3861 k = 0.0171-0.0147 0.0147 ( 3273 PWs) bands (ev): -47.3222 -47.3222 -22.1521 -22.1520 -19.3759 -19.3758 -19.2086 -19.2083 -19.1808 -19.1808 -17.4455 -17.4453 -7.5790 -7.5789 -4.5545 -4.5530 -4.0463 -4.0446 -3.7805 -3.7805 0.1275 0.1275 0.8979 0.8991 1.6772 1.6790 5.1017 5.1017 8.3524 8.3528 12.7722 12.7732 14.3475 14.3480 k = 0.0256-0.0220 0.0221 ( 3273 PWs) bands (ev): -47.3222 -47.3222 -22.1519 -22.1518 -19.3757 -19.3755 -19.2084 -19.2080 -19.1809 -19.1808 -17.4468 -17.4466 -7.5770 -7.5769 -4.5656 -4.5636 -4.0352 -4.0328 -3.7816 -3.7815 0.1284 0.1284 0.8897 0.8914 1.6811 1.6838 5.1039 5.1039 8.3604 8.3610 12.7792 12.7807 14.2945 14.2953 k = 0.0341-0.0294 0.0294 ( 3277 PWs) bands (ev): -47.3222 -47.3222 -22.1516 -22.1515 -19.3754 -19.3752 -19.2080 -19.2076 -19.1809 -19.1809 -17.4487 -17.4484 -7.5742 -7.5741 -4.5801 -4.5775 -4.0206 -4.0175 -3.7830 -3.7830 0.1297 0.1297 0.8786 0.8809 1.6867 1.6902 5.1069 5.1069 8.3716 8.3724 12.7887 12.7907 14.2337 14.2348 k = 0.0427-0.0367 0.0368 ( 3275 PWs) bands (ev): -47.3222 -47.3222 -22.1512 -22.1512 -19.3751 -19.3748 -19.2075 -19.2070 -19.1810 -19.1810 -17.4510 -17.4507 -7.5707 -7.5707 -4.5972 -4.5941 -4.0030 -3.9993 -3.7848 -3.7848 0.1314 0.1314 0.8649 0.8676 1.6938 1.6981 5.1107 5.1107 8.3858 8.3869 12.8005 12.8030 14.1689 14.1703 k = 0.0512-0.0441 0.0442 ( 3267 PWs) bands (ev): -47.3222 -47.3222 -22.1508 -22.1507 -19.3745 -19.3744 -19.2069 -19.2063 -19.1810 -19.1810 -17.4538 -17.4534 -7.5666 -7.5665 -4.6161 -4.6127 -3.9831 -3.9790 -3.7871 -3.7870 0.1334 0.1335 0.8488 0.8519 1.7023 1.7073 5.1154 5.1154 8.4031 8.4043 12.8139 12.8170 14.1025 14.1043 k = 0.0597-0.0514 0.0515 ( 3265 PWs) bands (ev): -47.3222 -47.3222 -22.1502 -22.1502 -19.3740 -19.3739 -19.2061 -19.2056 -19.1811 -19.1811 -17.4570 -17.4566 -7.5620 -7.5619 -4.6363 -4.6327 -3.9617 -3.9572 -3.7897 -3.7896 0.1358 0.1359 0.8305 0.8341 1.7121 1.7177 5.1208 5.1208 8.4232 8.4246 12.8283 12.8321 14.0360 14.0381 k = 0.0683-0.0588 0.0589 ( 3273 PWs) bands (ev): -47.3222 -47.3222 -22.1496 -22.1495 -19.3734 -19.3734 -19.2053 -19.2049 -19.1813 -19.1812 -17.4607 -17.4602 -7.5569 -7.5568 -4.6572 -4.6534 -3.9392 -3.9344 -3.7927 -3.7926 0.1385 0.1386 0.8105 0.8143 1.7229 1.7291 5.1270 5.1270 8.4460 8.4476 12.8429 12.8474 13.9703 13.9728 k = 0.0768-0.0661 0.0662 ( 3277 PWs) bands (ev): -47.3222 -47.3222 -22.1489 -22.1488 -19.3729 -19.3728 -19.2044 -19.2040 -19.1814 -19.1814 -17.4647 -17.4642 -7.5514 -7.5513 -4.6784 -4.6744 -3.9161 -3.9111 -3.7960 -3.7959 0.1416 0.1417 0.7890 0.7931 1.7348 1.7415 5.1340 5.1340 8.4714 8.4732 12.8567 12.8619 13.9064 13.9092 k = 0.0853-0.0735 0.0736 ( 3279 PWs) bands (ev): -47.3222 -47.3222 -22.1482 -22.1481 -19.3724 -19.3720 -19.2034 -19.2032 -19.1815 -19.1815 -17.4691 -17.4686 -7.5457 -7.5456 -4.6993 -4.6952 -3.8929 -3.8876 -3.7997 -3.7996 0.1450 0.1451 0.7664 0.7707 1.7475 1.7547 5.1416 5.1416 8.4993 8.5012 12.8684 12.8743 13.8449 13.8482 k = 0.0939-0.0808 0.0810 ( 3281 PWs) bands (ev): -47.3221 -47.3221 -22.1473 -22.1472 -19.3718 -19.3712 -19.2022 -19.2022 -19.1817 -19.1817 -17.4738 -17.4732 -7.5399 -7.5398 -4.7196 -4.7155 -3.8700 -3.8644 -3.8036 -3.8035 0.1488 0.1488 0.7430 0.7476 1.7611 1.7687 5.1499 5.1500 8.5293 8.5314 12.8765 12.8832 13.7865 13.7900 k = 0.1024-0.0881 0.0883 ( 3273 PWs) bands (ev): -47.3221 -47.3221 -22.1464 -22.1462 -19.3713 -19.3704 -19.2013 -19.2010 -19.1818 -19.1818 -17.4787 -17.4781 -7.5341 -7.5340 -4.7391 -4.7349 -3.8476 -3.8418 -3.8077 -3.8075 0.1528 0.1529 0.7192 0.7239 1.7752 1.7833 5.1589 5.1589 8.5615 8.5637 12.8794 12.8868 13.7313 13.7350 k = 0.1109-0.0955 0.0957 ( 3271 PWs) bands (ev): -47.3221 -47.3221 -22.1454 -22.1452 -19.3708 -19.3695 -19.2003 -19.1997 -19.1820 -19.1819 -17.4838 -17.4833 -7.5285 -7.5284 -4.7575 -4.7532 -3.8271 -3.8215 -3.8107 -3.8107 0.1572 0.1573 0.6954 0.7002 1.7899 1.7983 5.1685 5.1685 8.5955 8.5978 12.8755 12.8834 13.6791 13.6828 k = 0.1195-0.1028 0.1030 ( 3271 PWs) bands (ev): -47.3221 -47.3221 -22.1443 -22.1441 -19.3703 -19.3686 -19.1994 -19.1984 -19.1822 -19.1821 -17.4891 -17.4886 -7.5232 -7.5231 -4.7745 -4.7702 -3.8200 -3.8190 -3.8016 -3.7970 0.1619 0.1620 0.6717 0.6766 1.8051 1.8138 5.1786 5.1786 8.6312 8.6336 12.8635 12.8718 13.6289 13.6323 k = 0.1280-0.1102 0.1104 ( 3273 PWs) bands (ev): -47.3221 -47.3221 -22.1431 -22.1429 -19.3699 -19.3678 -19.1985 -19.1971 -19.1823 -19.1823 -17.4946 -17.4940 -7.5184 -7.5182 -4.7899 -4.7857 -3.8241 -3.8237 -3.7829 -3.7774 0.1669 0.1670 0.6486 0.6536 1.8207 1.8297 5.1892 5.1892 8.6684 8.6710 12.8424 12.8510 13.5788 13.5816 k = 0.1365-0.1175 0.1178 ( 3281 PWs) bands (ev): -47.3221 -47.3221 -22.1418 -22.1416 -19.3697 -19.3669 -19.1978 -19.1958 -19.1826 -19.1824 -17.5001 -17.4995 -7.5141 -7.5140 -4.8036 -4.7994 -3.8293 -3.8291 -3.7645 -3.7588 0.1722 0.1723 0.6263 0.6314 1.8366 1.8458 5.2002 5.2002 8.7070 8.7096 12.8123 12.8207 13.5264 13.5284 k = 0.1451-0.1249 0.1251 ( 3275 PWs) bands (ev): -47.3221 -47.3221 -22.1405 -22.1403 -19.3694 -19.3661 -19.1970 -19.1945 -19.1827 -19.1825 -17.5056 -17.5050 -7.5106 -7.5105 -4.8153 -4.8111 -3.8349 -3.8348 -3.7473 -3.7415 0.1778 0.1779 0.6052 0.6104 1.8527 1.8622 5.2117 5.2117 8.7467 8.7495 12.7733 12.7815 13.4697 13.4708 k = 0.1536-0.1322 0.1325 ( 3279 PWs) bands (ev): -47.3221 -47.3221 -22.1391 -22.1389 -19.3692 -19.3653 -19.1964 -19.1933 -19.1829 -19.1827 -17.5110 -17.5106 -7.5079 -7.5079 -4.8250 -4.8208 -3.8408 -3.8407 -3.7316 -3.7257 0.1836 0.1837 0.5856 0.5909 1.8690 1.8787 5.2235 5.2235 8.7875 8.7903 12.7265 12.7342 13.4076 13.4079 k = 0.1621-0.1396 0.1398 ( 3279 PWs) bands (ev): -47.3221 -47.3221 -22.1376 -22.1374 -19.3691 -19.3645 -19.1959 -19.1921 -19.1830 -19.1827 -17.5164 -17.5160 -7.5062 -7.5062 -4.8325 -4.8283 -3.8470 -3.8468 -3.7176 -3.7116 0.1897 0.1898 0.5677 0.5730 1.8854 1.8953 5.2357 5.2357 8.8292 8.8320 12.6728 12.6800 13.3401 13.3404 k = 0.1707-0.1469 0.1472 ( 3287 PWs) bands (ev): -47.3221 -47.3221 -22.1361 -22.1358 -19.3691 -19.3638 -19.1957 -19.1912 -19.1831 -19.1828 -17.5217 -17.5213 -7.5057 -7.5057 -4.8377 -4.8336 -3.8533 -3.8531 -3.7053 -3.6993 0.1961 0.1962 0.5517 0.5571 1.9018 1.9119 5.2481 5.2481 8.8715 8.8745 12.6131 12.6197 13.2685 13.2694 k = 0.1792-0.1543 0.1545 ( 3291 PWs) bands (ev): -47.3221 -47.3221 -22.1344 -22.1342 -19.3693 -19.3631 -19.1956 -19.1904 -19.1831 -19.1827 -17.5267 -17.5264 -7.5064 -7.5063 -4.8406 -4.8365 -3.8597 -3.8596 -3.6948 -3.6888 0.2026 0.2027 0.5380 0.5434 1.9182 1.9285 5.2607 5.2607 8.9145 8.9175 12.5486 12.5545 13.1946 13.1961 k = 0.1877-0.1616 0.1619 ( 3285 PWs) bands (ev): -47.3220 -47.3220 -22.1327 -22.1324 -19.3694 -19.3625 -19.1957 -19.1898 -19.1831 -19.1825 -17.5316 -17.5313 -7.5083 -7.5083 -4.8411 -4.8370 -3.8663 -3.8662 -3.6861 -3.6802 0.2094 0.2095 0.5267 0.5322 1.9345 1.9450 5.2735 5.2735 8.9579 8.9609 12.4798 12.4851 13.1200 13.1219 k = 0.1963-0.1689 0.1693 ( 3285 PWs) bands (ev): -47.3220 -47.3220 -22.1310 -22.1307 -19.3697 -19.3619 -19.1959 -19.1894 -19.1831 -19.1822 -17.5361 -17.5360 -7.5116 -7.5115 -4.8391 -4.8351 -3.8731 -3.8730 -3.6794 -3.6735 0.2164 0.2165 0.5179 0.5236 1.9507 1.9613 5.2864 5.2864 9.0017 9.0047 12.4074 12.4122 13.0458 13.0481 k = 0.2048-0.1763 0.1766 ( 3281 PWs) bands (ev): -47.3220 -47.3220 -22.1291 -22.1288 -19.3701 -19.3614 -19.1964 -19.1892 -19.1831 -19.1818 -17.5404 -17.5403 -7.5163 -7.5162 -4.8347 -4.8308 -3.8799 -3.8798 -3.6747 -3.6687 0.2236 0.2236 0.5120 0.5177 1.9667 1.9774 5.2994 5.2994 9.0457 9.0487 12.3320 12.3362 12.9730 12.9756 k = 0.2133-0.1836 0.1840 ( 3281 PWs) bands (ev): -47.3220 -47.3220 -22.1273 -22.1269 -19.3706 -19.3611 -19.1971 -19.1893 -19.1830 -19.1815 -17.5444 -17.5444 -7.5224 -7.5222 -4.8280 -4.8241 -3.8868 -3.8867 -3.6718 -3.6659 0.2309 0.2309 0.5089 0.5147 1.9823 1.9932 5.3124 5.3124 9.0899 9.0929 12.2540 12.2578 12.9022 12.9051 k = 0.2219-0.1910 0.1913 ( 3293 PWs) bands (ev): -47.3220 -47.3220 -22.1253 -22.1250 -19.3713 -19.3608 -19.1981 -19.1896 -19.1830 -19.1812 -17.5480 -17.5479 -7.5299 -7.5297 -4.8190 -4.8152 -3.8938 -3.8937 -3.6709 -3.6650 0.2383 0.2384 0.5087 0.5146 1.9976 2.0086 5.3253 5.3253 9.1341 9.1371 12.1739 12.1773 12.8339 12.8370 k = 0.2304-0.1983 0.1987 ( 3295 PWs) bands (ev): -47.3220 -47.3220 -22.1233 -22.1230 -19.3720 -19.3607 -19.1992 -19.1899 -19.1830 -19.1809 -17.5513 -17.5511 -7.5388 -7.5385 -4.8077 -4.8040 -3.9007 -3.9007 -3.6719 -3.6660 0.2459 0.2460 0.5116 0.5176 2.0124 2.0236 5.3382 5.3382 9.1784 9.1813 12.0922 12.0952 12.7684 12.7716 k = 0.2389-0.2057 0.2061 ( 3291 PWs) bands (ev): -47.3220 -47.3220 -22.1213 -22.1209 -19.3728 -19.3606 -19.2004 -19.1904 -19.1829 -19.1807 -17.5542 -17.5539 -7.5490 -7.5487 -4.7943 -4.7906 -3.9077 -3.9076 -3.6747 -3.6689 0.2536 0.2537 0.5177 0.5238 2.0267 2.0380 5.3509 5.3510 9.2227 9.2256 12.0093 12.0119 12.7058 12.7091 k = 0.2475-0.2130 0.2134 ( 3291 PWs) bands (ev): -47.3219 -47.3219 -22.1192 -22.1189 -19.3738 -19.3607 -19.2019 -19.1910 -19.1830 -19.1806 -17.5566 -17.5562 -7.5605 -7.5602 -4.7790 -4.7753 -3.9147 -3.9146 -3.6792 -3.6734 0.2614 0.2614 0.5268 0.5331 2.0405 2.0519 5.3635 5.3635 9.2669 9.2697 11.9255 11.9278 12.6461 12.6495 k = 0.2560-0.2204 0.2208 ( 3291 PWs) bands (ev): -47.3219 -47.3219 -22.1171 -22.1167 -19.3748 -19.3608 -19.2035 -19.1917 -19.1830 -19.1806 -17.5586 -17.5581 -7.5732 -7.5728 -4.7617 -4.7581 -3.9216 -3.9215 -3.6853 -3.6797 0.2692 0.2692 0.5391 0.5454 2.0535 2.0651 5.3759 5.3759 9.3110 9.3137 11.8413 11.8434 12.5893 12.5928 k = 0.2645-0.2277 0.2281 ( 3291 PWs) bands (ev): -47.3219 -47.3219 -22.1150 -22.1146 -19.3759 -19.3611 -19.2052 -19.1925 -19.1831 -19.1808 -17.5602 -17.5596 -7.5870 -7.5866 -4.7428 -4.7392 -3.9285 -3.9284 -3.6930 -3.6874 0.2771 0.2771 0.5544 0.5609 2.0659 2.0775 5.3880 5.3881 9.3550 9.3577 11.7569 11.7588 12.5354 12.5388 k = 0.2730-0.2351 0.2355 ( 3291 PWs) bands (ev): -47.3219 -47.3219 -22.1128 -22.1124 -19.3772 -19.3616 -19.2071 -19.1934 -19.1832 -19.1809 -17.5613 -17.5606 -7.6018 -7.6014 -4.7223 -4.7188 -3.9353 -3.9352 -3.7022 -3.6966 0.2849 0.2850 0.5727 0.5793 2.0774 2.0891 5.3999 5.3999 9.3989 9.4016 11.6728 11.6745 12.4842 12.4876 k = 0.2816-0.2424 0.2429 ( 3291 PWs) bands (ev): -47.3219 -47.3219 -22.1106 -22.1102 -19.3785 -19.3622 -19.2091 -19.1945 -19.1833 -19.1812 -17.5619 -17.5612 -7.6175 -7.6170 -4.7005 -4.6970 -3.9419 -3.9419 -3.7126 -3.7071 0.2928 0.2928 0.5939 0.6006 2.0880 2.0998 5.4115 5.4115 9.4428 9.4453 11.5892 11.5908 12.4357 12.4389 k = 0.2901-0.2497 0.2502 ( 3289 PWs) bands (ev): -47.3219 -47.3219 -22.1084 -22.1080 -19.3799 -19.3629 -19.2112 -19.1957 -19.1834 -19.1815 -17.5622 -17.5614 -7.6339 -7.6335 -4.6775 -4.6741 -3.9485 -3.9485 -3.7241 -3.7188 0.3006 0.3006 0.6179 0.6248 2.0977 2.1095 5.4227 5.4227 9.4866 9.4891 11.5064 11.5080 12.3897 12.3927 k = 0.2986-0.2571 0.2576 ( 3289 PWs) bands (ev): -47.3219 -47.3219 -22.1063 -22.1058 -19.3813 -19.3638 -19.2134 -19.1971 -19.1835 -19.1819 -17.5620 -17.5611 -7.6510 -7.6506 -4.6536 -4.6502 -3.9550 -3.9549 -3.7367 -3.7315 0.3084 0.3084 0.6445 0.6516 2.1063 2.1182 5.4335 5.4336 9.5305 9.5328 11.4247 11.4262 12.3460 12.3489 k = 0.3072-0.2644 0.2649 ( 3289 PWs) bands (ev): -47.3219 -47.3219 -22.1041 -22.1037 -19.3829 -19.3649 -19.2157 -19.1986 -19.1837 -19.1822 -17.5615 -17.5605 -7.6687 -7.6682 -4.6288 -4.6254 -3.9613 -3.9613 -3.7502 -3.7450 0.3161 0.3161 0.6737 0.6809 2.1138 2.1258 5.4440 5.4440 9.5744 9.5766 11.3444 11.3457 12.3045 12.3072 k = 0.3157-0.2718 0.2723 ( 3289 PWs) bands (ev): -47.3218 -47.3218 -22.1019 -22.1015 -19.3845 -19.3661 -19.2179 -19.2002 -19.1839 -19.1826 -17.5605 -17.5595 -7.6867 -7.6862 -4.6035 -4.6002 -3.9675 -3.9674 -3.7644 -3.7593 0.3237 0.3237 0.7052 0.7125 2.1202 2.1322 5.4540 5.4541 9.6184 9.6204 11.2655 11.2669 12.2651 12.2675 k = 0.3242-0.2791 0.2797 ( 3293 PWs) bands (ev): -47.3218 -47.3218 -22.0997 -22.0993 -19.3861 -19.3675 -19.2202 -19.2020 -19.1841 -19.1830 -17.5593 -17.5582 -7.7050 -7.7045 -4.5778 -4.5745 -3.9735 -3.9735 -3.7791 -3.7741 0.3311 0.3311 0.7388 0.7463 2.1253 2.1373 5.4636 5.4637 9.6625 9.6645 11.1884 11.1897 12.2276 12.2297 k = 0.3328-0.2865 0.2870 ( 3293 PWs) bands (ev): -47.3218 -47.3218 -22.0976 -22.0972 -19.3878 -19.3690 -19.2225 -19.2038 -19.1843 -19.1834 -17.5577 -17.5566 -7.7233 -7.7228 -4.5518 -4.5486 -3.9794 -3.9793 -3.7943 -3.7894 0.3384 0.3384 0.7744 0.7821 2.1291 2.1412 5.4728 5.4728 9.7070 9.7088 11.1133 11.1146 12.1918 12.1936 k = 0.3413-0.2938 0.2944 ( 3293 PWs) bands (ev): -47.3218 -47.3218 -22.0955 -22.0951 -19.3895 -19.3706 -19.2247 -19.2058 -19.1845 -19.1837 -17.5559 -17.5547 -7.7417 -7.7412 -4.5259 -4.5226 -3.9850 -3.9849 -3.8097 -3.8049 0.3455 0.3456 0.8117 0.8195 2.1316 2.1437 5.4815 5.4816 9.7517 9.7534 11.0403 11.0416 12.1575 12.1589 k = 0.3498-0.3012 0.3017 ( 3285 PWs) bands (ev): -47.3218 -47.3218 -22.0935 -22.0931 -19.3912 -19.3724 -19.2268 -19.2078 -19.1846 -19.1840 -17.5538 -17.5526 -7.7599 -7.7594 -4.5001 -4.4968 -3.9903 -3.9902 -3.8253 -3.8206 0.3525 0.3525 0.8505 0.8585 2.1327 2.1447 5.4898 5.4899 9.7969 9.7985 10.9697 10.9709 12.1243 12.1253 k = 0.3584-0.3085 0.3091 ( 3281 PWs) bands (ev): -47.3218 -47.3218 -22.0915 -22.0911 -19.3929 -19.3743 -19.2288 -19.2099 -19.1848 -19.1843 -17.5515 -17.5503 -7.7779 -7.7774 -4.4746 -4.4714 -3.9955 -3.9954 -3.8409 -3.8363 0.3592 0.3592 0.8906 0.8987 2.1323 2.1444 5.4976 5.4977 9.8426 9.8440 10.9015 10.9028 12.0919 12.0924 k = 0.3669-0.3158 0.3165 ( 3283 PWs) bands (ev): -47.3218 -47.3218 -22.0895 -22.0892 -19.3946 -19.3763 -19.2308 -19.2121 -19.1850 -19.1847 -17.5491 -17.5479 -7.7954 -7.7950 -4.4496 -4.4464 -4.0004 -4.0003 -3.8563 -3.8519 0.3656 0.3656 0.9317 0.9398 2.1305 2.1425 5.5050 5.5050 9.8889 9.8901 10.8361 10.8374 12.0595 12.0597 k = 0.3754-0.3232 0.3238 ( 3284 PWs) bands (ev): -47.3218 -47.3218 -22.0877 -22.0873 -19.3962 -19.3785 -19.2325 -19.2143 -19.1852 -19.1849 -17.5465 -17.5454 -7.8125 -7.8121 -4.4252 -4.4221 -4.0051 -4.0050 -3.8716 -3.8672 0.3718 0.3718 0.9735 0.9818 2.1274 2.1392 5.5118 5.5118 9.9358 9.9369 10.7736 10.7749 12.0259 12.0268 k = 0.3840-0.3305 0.3312 ( 3288 PWs) bands (ev): -47.3217 -47.3217 -22.0859 -22.0855 -19.3979 -19.3807 -19.2342 -19.2165 -19.1854 -19.1852 -17.5439 -17.5428 -7.8290 -7.8285 -4.4017 -4.3985 -4.0096 -4.0095 -3.8864 -3.8822 0.3776 0.3777 1.0157 1.0240 2.1227 2.1344 5.5182 5.5182 9.9834 9.9843 10.7143 10.7155 11.9899 11.9916 k = 0.3925-0.3379 0.3385 ( 3288 PWs) bands (ev): -47.3217 -47.3217 -22.0842 -22.0839 -19.3994 -19.3830 -19.2357 -19.2186 -19.1856 -19.1854 -17.5413 -17.5402 -7.8447 -7.8443 -4.3791 -4.3759 -4.0138 -4.0136 -3.9008 -3.8967 0.3832 0.3832 1.0581 1.0664 2.1167 2.1282 5.5241 5.5241 10.0318 10.0325 10.6582 10.6595 11.9496 11.9521 k = 0.4010-0.3452 0.3459 ( 3282 PWs) bands (ev): -47.3217 -47.3217 -22.0826 -22.0823 -19.4008 -19.3852 -19.2369 -19.2207 -19.1857 -19.1856 -17.5386 -17.5376 -7.8596 -7.8592 -4.3575 -4.3544 -4.0176 -4.0175 -3.9146 -3.9106 0.3884 0.3884 1.1003 1.1086 2.1094 2.1207 5.5295 5.5295 10.0809 10.0814 10.6057 10.6070 11.9019 11.9051 k = 0.4096-0.3526 0.3533 ( 3274 PWs) bands (ev): -47.3217 -47.3217 -22.0811 -22.0808 -19.4021 -19.3875 -19.2380 -19.2228 -19.1859 -19.1858 -17.5360 -17.5351 -7.8736 -7.8733 -4.3370 -4.3340 -4.0212 -4.0211 -3.9277 -3.9239 0.3933 0.3933 1.1420 1.1502 2.1008 2.1118 5.5344 5.5345 10.1306 10.1310 10.5570 10.5583 11.8441 11.8476 k = 0.4181-0.3599 0.3606 ( 3260 PWs) bands (ev): -47.3217 -47.3217 -22.0797 -22.0794 -19.4032 -19.3897 -19.2389 -19.2247 -19.1860 -19.1859 -17.5335 -17.5326 -7.8867 -7.8863 -4.3179 -4.3150 -4.0245 -4.0244 -3.9400 -3.9364 0.3978 0.3978 1.1827 1.1908 2.0912 2.1018 5.5389 5.5389 10.1809 10.1809 10.5125 10.5139 11.7755 11.7788 k = 0.4266-0.3673 0.3680 ( 3260 PWs) bands (ev): -47.3217 -47.3217 -22.0784 -22.0782 -19.4043 -19.3919 -19.2396 -19.2267 -19.1861 -19.1861 -17.5312 -17.5303 -7.8986 -7.8983 -4.3002 -4.2973 -4.0275 -4.0273 -3.9515 -3.9481 0.4019 0.4019 1.2221 1.2300 2.0807 2.0908 5.5429 5.5429 10.2307 10.2310 10.4727 10.4743 11.6985 11.7012 k = 0.4352-0.3746 0.3753 ( 3260 PWs) bands (ev): -47.3217 -47.3217 -22.0773 -22.0770 -19.4052 -19.3941 -19.2402 -19.2285 -19.1862 -19.1862 -17.5290 -17.5282 -7.9095 -7.9092 -4.2839 -4.2812 -4.0302 -4.0300 -3.9621 -3.9589 0.4055 0.4056 1.2597 1.2673 2.0695 2.0791 5.5465 5.5465 10.2788 10.2796 10.4391 10.4411 11.6170 11.6191 k = 0.4437-0.3820 0.3827 ( 3264 PWs) bands (ev): -47.3217 -47.3217 -22.0762 -22.0760 -19.4060 -19.3961 -19.2406 -19.2303 -19.1863 -19.1863 -17.5270 -17.5263 -7.9191 -7.9188 -4.2693 -4.2668 -4.0326 -4.0324 -3.9717 -3.9687 0.4088 0.4088 1.2950 1.3022 2.0580 2.0669 5.5496 5.5496 10.3195 10.3211 10.4171 10.4197 11.5347 11.5363 k = 0.4522-0.3893 0.3901 ( 3264 PWs) bands (ev): -47.3217 -47.3217 -22.0753 -22.0752 -19.4065 -19.3981 -19.2408 -19.2319 -19.1864 -19.1864 -17.5252 -17.5246 -7.9275 -7.9272 -4.2564 -4.2541 -4.0347 -4.0345 -3.9801 -3.9775 0.4116 0.4116 1.3274 1.3340 2.0467 2.0547 5.5522 5.5522 10.3358 10.3374 10.4243 10.4268 11.4544 11.4556 k = 0.4608-0.3966 0.3974 ( 3276 PWs) bands (ev): -47.3217 -47.3217 -22.0746 -22.0745 -19.4069 -19.3999 -19.2409 -19.2335 -19.1866 -19.1865 -17.5237 -17.5232 -7.9345 -7.9344 -4.2454 -4.2434 -4.0364 -4.0362 -3.9873 -3.9851 0.4140 0.4140 1.3563 1.3621 2.0359 2.0430 5.5544 5.5544 10.3265 10.3273 10.4610 10.4626 11.3787 11.3795 k = 0.4693-0.4040 0.4048 ( 3278 PWs) bands (ev): -47.3217 -47.3217 -22.0740 -22.0739 -19.4071 -19.4015 -19.2408 -19.2349 -19.1866 -19.1866 -17.5224 -17.5220 -7.9403 -7.9401 -4.2362 -4.2345 -4.0379 -4.0377 -3.9932 -3.9914 0.4159 0.4159 1.3810 1.3858 2.0264 2.0322 5.5562 5.5562 10.3118 10.3122 10.5045 10.5055 11.3100 11.3106 k = 0.4778-0.4113 0.4121 ( 3272 PWs) bands (ev): -47.3217 -47.3217 -22.0735 -22.0734 -19.4069 -19.4029 -19.2404 -19.2362 -19.1867 -19.1867 -17.5214 -17.5211 -7.9446 -7.9445 -4.2290 -4.2278 -4.0389 -4.0388 -3.9977 -3.9964 0.4174 0.4174 1.4007 1.4044 2.0186 2.0230 5.5575 5.5575 10.2990 10.2992 10.5451 10.5457 11.2514 11.2518 k = 0.4864-0.4187 0.4195 ( 3270 PWs) bands (ev): -47.3217 -47.3217 -22.0732 -22.0731 -19.4066 -19.4042 -19.2399 -19.2373 -19.1867 -19.1867 -17.5207 -17.5205 -7.9476 -7.9475 -4.2240 -4.2232 -4.0397 -4.0396 -4.0007 -3.9999 0.4184 0.4184 1.4149 1.4173 2.0133 2.0161 5.5584 5.5584 10.2899 10.2900 10.5775 10.5779 11.2071 11.2073 k = 0.4864-0.4187 0.4195 ( 3270 PWs) bands (ev): -47.3217 -47.3217 -22.0732 -22.0731 -19.4066 -19.4042 -19.2399 -19.2373 -19.1867 -19.1867 -17.5207 -17.5205 -7.9476 -7.9475 -4.2240 -4.2232 -4.0397 -4.0396 -4.0007 -3.9999 0.4184 0.4184 1.4149 1.4173 2.0133 2.0161 5.5584 5.5584 10.2899 10.2900 10.5775 10.5779 11.2071 11.2073 k = 0.4867-0.4063 0.4144 ( 3271 PWs) bands (ev): -47.3217 -47.3217 -22.0734 -22.0734 -19.4069 -19.4033 -19.2402 -19.2365 -19.1867 -19.1867 -17.5211 -17.5209 -7.9456 -7.9455 -4.2274 -4.2263 -4.0391 -4.0390 -3.9988 -3.9976 0.4176 0.4176 1.4055 1.4088 2.0167 2.0206 5.5576 5.5576 10.2929 10.2931 10.5572 10.5578 11.2370 11.2374 k = 0.4871-0.3940 0.4093 ( 3270 PWs) bands (ev): -47.3217 -47.3217 -22.0738 -22.0737 -19.4069 -19.4023 -19.2405 -19.2356 -19.1866 -19.1866 -17.5216 -17.5213 -7.9428 -7.9427 -4.2321 -4.2307 -4.0382 -4.0380 -3.9961 -3.9946 0.4164 0.4164 1.3930 1.3971 2.0212 2.0261 5.5563 5.5563 10.2923 10.2925 10.5344 10.5352 11.2766 11.2771 k = 0.4874-0.3816 0.4042 ( 3269 PWs) bands (ev): -47.3217 -47.3217 -22.0744 -22.0743 -19.4069 -19.4012 -19.2406 -19.2346 -19.1865 -19.1864 -17.5222 -17.5219 -7.9391 -7.9390 -4.2381 -4.2364 -4.0369 -4.0367 -3.9926 -3.9908 0.4148 0.4148 1.3776 1.3824 2.0265 2.0324 5.5545 5.5545 10.2879 10.2883 10.5105 10.5115 11.3244 11.3249 k = 0.4877-0.3693 0.3991 ( 3267 PWs) bands (ev): -47.3217 -47.3217 -22.0751 -22.0750 -19.4066 -19.4000 -19.2405 -19.2336 -19.1863 -19.1863 -17.5230 -17.5225 -7.9347 -7.9345 -4.2454 -4.2435 -4.0353 -4.0351 -3.9884 -3.9863 0.4127 0.4127 1.3596 1.3651 2.0326 2.0393 5.5521 5.5521 10.2799 10.2805 10.4865 10.4877 11.3791 11.3797 k = 0.4881-0.3569 0.3940 ( 3265 PWs) bands (ev): -47.3217 -47.3217 -22.0760 -22.0758 -19.4062 -19.3987 -19.2403 -19.2324 -19.1861 -19.1861 -17.5237 -17.5232 -7.9294 -7.9292 -4.2540 -4.2520 -4.0334 -4.0332 -3.9833 -3.9810 0.4101 0.4101 1.3393 1.3453 2.0390 2.0464 5.5492 5.5492 10.2687 10.2695 10.4631 10.4647 11.4399 11.4406 k = 0.4884-0.3446 0.3889 ( 3263 PWs) bands (ev): -47.3217 -47.3217 -22.0770 -22.0768 -19.4057 -19.3972 -19.2400 -19.2311 -19.1859 -19.1859 -17.5246 -17.5240 -7.9233 -7.9231 -4.2639 -4.2618 -4.0311 -4.0309 -3.9775 -3.9750 0.4072 0.4072 1.3170 1.3235 2.0456 2.0536 5.5458 5.5458 10.2547 10.2557 10.4409 10.4428 11.5059 11.5067 k = 0.4888-0.3323 0.3838 ( 3263 PWs) bands (ev): -47.3217 -47.3217 -22.0781 -22.0779 -19.4051 -19.3957 -19.2396 -19.2298 -19.1857 -19.1856 -17.5256 -17.5249 -7.9165 -7.9163 -4.2752 -4.2730 -4.0286 -4.0284 -3.9708 -3.9682 0.4039 0.4039 1.2930 1.2999 2.0521 2.0606 5.5420 5.5420 10.2383 10.2395 10.4201 10.4224 11.5764 11.5772 k = 0.4891-0.3199 0.3787 ( 3260 PWs) bands (ev): -47.3217 -47.3217 -22.0793 -22.0791 -19.4043 -19.3941 -19.2390 -19.2284 -19.1854 -19.1853 -17.5266 -17.5259 -7.9089 -7.9087 -4.2877 -4.2854 -4.0257 -4.0256 -3.9634 -3.9607 0.4001 0.4001 1.2677 1.2748 2.0584 2.0673 5.5377 5.5377 10.2200 10.2214 10.4010 10.4036 11.6507 11.6515 k = 0.4894-0.3076 0.3736 ( 3256 PWs) bands (ev): -47.3217 -47.3217 -22.0807 -22.0805 -19.4034 -19.3924 -19.2383 -19.2270 -19.1851 -19.1849 -17.5277 -17.5269 -7.9006 -7.9003 -4.3015 -4.2992 -4.0226 -4.0224 -3.9552 -3.9524 0.3960 0.3960 1.2413 1.2485 2.0643 2.0736 5.5329 5.5329 10.2001 10.2017 10.3837 10.3865 11.7282 11.7288 k = 0.4898-0.2952 0.3685 ( 3254 PWs) bands (ev): -47.3217 -47.3217 -22.0822 -22.0820 -19.4024 -19.3907 -19.2375 -19.2255 -19.1848 -19.1845 -17.5289 -17.5280 -7.8916 -7.8913 -4.3164 -4.3142 -4.0192 -4.0191 -3.9463 -3.9435 0.3916 0.3916 1.2139 1.2213 2.0698 2.0793 5.5278 5.5279 10.1791 10.1809 10.3682 10.3713 11.8079 11.8084 k = 0.4901-0.2829 0.3634 ( 3256 PWs) bands (ev): -47.3217 -47.3217 -22.0838 -22.0836 -19.4013 -19.3889 -19.2366 -19.2240 -19.1845 -19.1841 -17.5301 -17.5292 -7.8819 -7.8816 -4.3326 -4.3303 -4.0156 -4.0155 -3.9367 -3.9339 0.3868 0.3868 1.1858 1.1933 2.0746 2.0843 5.5224 5.5224 10.1573 10.1590 10.3548 10.3580 11.8891 11.8894 k = 0.4905-0.2705 0.3583 ( 3252 PWs) bands (ev): -47.3217 -47.3217 -22.0855 -22.0852 -19.4001 -19.3871 -19.2355 -19.2224 -19.1841 -19.1836 -17.5313 -17.5304 -7.8716 -7.8713 -4.3498 -4.3476 -4.0118 -4.0117 -3.9265 -3.9237 0.3817 0.3817 1.1573 1.1648 2.0787 2.0886 5.5166 5.5166 10.1347 10.1365 10.3435 10.3467 11.9710 11.9710 k = 0.4908-0.2582 0.3532 ( 3251 PWs) bands (ev): -47.3217 -47.3217 -22.0872 -22.0870 -19.3988 -19.3853 -19.2343 -19.2208 -19.1837 -19.1831 -17.5327 -17.5317 -7.8607 -7.8603 -4.3681 -4.3659 -4.0077 -4.0076 -3.9157 -3.9129 0.3764 0.3764 1.1285 1.1360 2.0822 2.0920 5.5106 5.5106 10.1117 10.1134 10.3342 10.3375 12.0522 12.0526 k = 0.4911-0.2458 0.3481 ( 3253 PWs) bands (ev): -47.3217 -47.3217 -22.0891 -22.0888 -19.3974 -19.3835 -19.2330 -19.2192 -19.1834 -19.1826 -17.5340 -17.5331 -7.8492 -7.8489 -4.3872 -4.3852 -4.0035 -4.0034 -3.9044 -3.9016 0.3708 0.3708 1.0996 1.1070 2.0848 2.0947 5.5043 5.5043 10.0884 10.0900 10.3271 10.3303 12.1322 12.1331 k = 0.4915-0.2335 0.3430 ( 3257 PWs) bands (ev): -47.3217 -47.3217 -22.0910 -22.0907 -19.3960 -19.3818 -19.2316 -19.2176 -19.1830 -19.1821 -17.5355 -17.5344 -7.8372 -7.8368 -4.4073 -4.4054 -3.9992 -3.9991 -3.8926 -3.8899 0.3650 0.3650 1.0707 1.0780 2.0867 2.0966 5.4978 5.4978 10.0649 10.0663 10.3221 10.3252 12.2104 12.2119 k = 0.4918-0.2211 0.3379 ( 3263 PWs) bands (ev): -47.3217 -47.3217 -22.0929 -22.0926 -19.3945 -19.3800 -19.2301 -19.2160 -19.1826 -19.1815 -17.5369 -17.5359 -7.8248 -7.8244 -4.4281 -4.4263 -3.9947 -3.9946 -3.8804 -3.8777 0.3590 0.3590 1.0419 1.0492 2.0879 2.0977 5.4911 5.4912 10.0414 10.0427 10.3192 10.3222 12.2863 12.2883 k = 0.4922-0.2088 0.3328 ( 3266 PWs) bands (ev): -47.3218 -47.3218 -22.0949 -22.0946 -19.3929 -19.3783 -19.2284 -19.2143 -19.1822 -19.1810 -17.5383 -17.5373 -7.8119 -7.8115 -4.4496 -4.4479 -3.9901 -3.9900 -3.8679 -3.8653 0.3528 0.3528 1.0135 1.0206 2.0883 2.0980 5.4844 5.4844 10.0180 10.0192 10.3182 10.3211 12.3596 12.3622 k = 0.4925-0.1964 0.3278 ( 3261 PWs) bands (ev): -47.3218 -47.3218 -22.0969 -22.0966 -19.3913 -19.3766 -19.2267 -19.2127 -19.1818 -19.1803 -17.5398 -17.5388 -7.7986 -7.7982 -4.4716 -4.4699 -3.9854 -3.9853 -3.8551 -3.8526 0.3466 0.3466 0.9856 0.9925 2.0880 2.0976 5.4776 5.4776 9.9949 9.9959 10.3191 10.3218 12.4304 12.4334 k = 0.4928-0.1841 0.3227 ( 3260 PWs) bands (ev): -47.3218 -47.3218 -22.0989 -22.0986 -19.3896 -19.3749 -19.2248 -19.2111 -19.1814 -19.1797 -17.5413 -17.5402 -7.7851 -7.7847 -4.4940 -4.4925 -3.9806 -3.9806 -3.8421 -3.8397 0.3403 0.3403 0.9582 0.9649 2.0871 2.0964 5.4707 5.4708 9.9722 9.9730 10.3217 10.3243 12.4987 12.5022 k = 0.4932-0.1717 0.3176 ( 3269 PWs) bands (ev): -47.3218 -47.3218 -22.1009 -22.1006 -19.3880 -19.3734 -19.2230 -19.2095 -19.1810 -19.1791 -17.5428 -17.5417 -7.7713 -7.7710 -4.5168 -4.5153 -3.9759 -3.9758 -3.8291 -3.8268 0.3339 0.3339 0.9314 0.9379 2.0855 2.0947 5.4639 5.4639 9.9499 9.9506 10.3259 10.3283 12.5647 12.5686 k = 0.4935-0.1594 0.3125 ( 3274 PWs) bands (ev): -47.3218 -47.3218 -22.1029 -22.1027 -19.3864 -19.3719 -19.2211 -19.2080 -19.1806 -19.1785 -17.5442 -17.5432 -7.7574 -7.7570 -4.5398 -4.5384 -3.9711 -3.9711 -3.8160 -3.8138 0.3275 0.3276 0.9054 0.9117 2.0835 2.0924 5.4571 5.4571 9.9283 9.9288 10.3314 10.3337 12.6286 12.6327 k = 0.4939-0.1470 0.3074 ( 3276 PWs) bands (ev): -47.3218 -47.3218 -22.1049 -22.1047 -19.3847 -19.3705 -19.2191 -19.2065 -19.1803 -19.1779 -17.5457 -17.5447 -7.7434 -7.7430 -4.5627 -4.5615 -3.9664 -3.9663 -3.8030 -3.8008 0.3212 0.3212 0.8802 0.8863 2.0809 2.0896 5.4504 5.4504 9.9073 9.9077 10.3383 10.3404 12.6903 12.6946 k = 0.4942-0.1347 0.3023 ( 3276 PWs) bands (ev): -47.3218 -47.3218 -22.1069 -22.1066 -19.3830 -19.3692 -19.2171 -19.2051 -19.1799 -19.1772 -17.5471 -17.5461 -7.7294 -7.7291 -4.5856 -4.5845 -3.9617 -3.9617 -3.7901 -3.7880 0.3150 0.3150 0.8560 0.8618 2.0780 2.0863 5.4439 5.4439 9.8871 9.8874 10.3462 10.3482 12.7501 12.7545 k = 0.4945-0.1224 0.2972 ( 3278 PWs) bands (ev): -47.3218 -47.3218 -22.1088 -22.1085 -19.3813 -19.3679 -19.2150 -19.2037 -19.1795 -19.1767 -17.5485 -17.5475 -7.7155 -7.7151 -4.6083 -4.6072 -3.9571 -3.9571 -3.7774 -3.7754 0.3088 0.3088 0.8328 0.8383 2.0747 2.0827 5.4375 5.4375 9.8677 9.8679 10.3550 10.3568 12.8078 12.8124 k = 0.4949-0.1100 0.2921 ( 3276 PWs) bands (ev): -47.3218 -47.3218 -22.1106 -22.1104 -19.3797 -19.3668 -19.2130 -19.2023 -19.1791 -19.1761 -17.5499 -17.5489 -7.7018 -7.7014 -4.6306 -4.6296 -3.9526 -3.9526 -3.7650 -3.7631 0.3028 0.3028 0.8107 0.8159 2.0712 2.0788 5.4313 5.4313 9.8492 9.8494 10.3646 10.3662 12.8636 12.8682 k = 0.4952-0.0977 0.2870 ( 3274 PWs) bands (ev): -47.3219 -47.3219 -22.1124 -22.1122 -19.3781 -19.3657 -19.2109 -19.2010 -19.1787 -19.1755 -17.5512 -17.5502 -7.6883 -7.6879 -4.6523 -4.6514 -3.9483 -3.9482 -3.7529 -3.7512 0.2970 0.2970 0.7897 0.7947 2.0674 2.0747 5.4253 5.4253 9.8317 9.8318 10.3746 10.3762 12.9173 12.9219 k = 0.4956-0.0853 0.2819 ( 3278 PWs) bands (ev): -47.3219 -47.3219 -22.1141 -22.1139 -19.3765 -19.3648 -19.2089 -19.1998 -19.1783 -19.1750 -17.5524 -17.5515 -7.6752 -7.6748 -4.6735 -4.6726 -3.9441 -3.9440 -3.7413 -3.7397 0.2914 0.2914 0.7699 0.7746 2.0636 2.0704 5.4196 5.4196 9.8152 9.8152 10.3850 10.3865 12.9688 12.9733 k = 0.4959-0.0730 0.2768 ( 3276 PWs) bands (ev): -47.3219 -47.3219 -22.1157 -22.1155 -19.3750 -19.3639 -19.2069 -19.1987 -19.1780 -19.1745 -17.5536 -17.5527 -7.6625 -7.6621 -4.6937 -4.6930 -3.9401 -3.9401 -3.7302 -3.7287 0.2861 0.2861 0.7514 0.7558 2.0597 2.0661 5.4142 5.4142 9.7997 9.7998 10.3956 10.3969 13.0180 13.0224 k = 0.4963-0.0606 0.2717 ( 3278 PWs) bands (ev): -47.3219 -47.3219 -22.1173 -22.1171 -19.3735 -19.3632 -19.2050 -19.1976 -19.1776 -19.1741 -17.5547 -17.5539 -7.6503 -7.6500 -4.7131 -4.7124 -3.9363 -3.9363 -3.7197 -3.7183 0.2810 0.2810 0.7342 0.7383 2.0559 2.0618 5.4091 5.4091 9.7853 9.7854 10.4062 10.4073 13.0647 13.0689 k = 0.4966-0.0483 0.2666 ( 3280 PWs) bands (ev): -47.3219 -47.3219 -22.1187 -22.1185 -19.3721 -19.3626 -19.2032 -19.1967 -19.1773 -19.1738 -17.5557 -17.5550 -7.6389 -7.6386 -4.7313 -4.7307 -3.9328 -3.9327 -3.7099 -3.7086 0.2763 0.2763 0.7184 0.7221 2.0521 2.0576 5.4044 5.4044 9.7721 9.7722 10.4165 10.4176 13.1088 13.1128 k = 0.4969-0.0359 0.2615 ( 3280 PWs) bands (ev): -47.3219 -47.3219 -22.1200 -22.1198 -19.3708 -19.3620 -19.2015 -19.1958 -19.1769 -19.1734 -17.5567 -17.5560 -7.6281 -7.6279 -4.7482 -4.7477 -3.9295 -3.9295 -3.7007 -3.6996 0.2719 0.2719 0.7040 0.7073 2.0486 2.0536 5.4000 5.4000 9.7601 9.7602 10.4265 10.4274 13.1499 13.1537 k = 0.4973-0.0236 0.2564 ( 3280 PWs) bands (ev): -47.3219 -47.3219 -22.1212 -22.1211 -19.3695 -19.3616 -19.1999 -19.1950 -19.1766 -19.1732 -17.5576 -17.5569 -7.6182 -7.6180 -4.7638 -4.7634 -3.9265 -3.9265 -3.6924 -3.6913 0.2679 0.2679 0.6910 0.6940 2.0453 2.0497 5.3961 5.3961 9.7492 9.7493 10.4359 10.4368 13.1879 13.1913 k = 0.4976-0.0112 0.2513 ( 3283 PWs) bands (ev): -47.3219 -47.3219 -22.1223 -22.1221 -19.3683 -19.3614 -19.1984 -19.1943 -19.1762 -19.1731 -17.5583 -17.5578 -7.6092 -7.6090 -4.7779 -4.7775 -3.9239 -3.9238 -3.6848 -3.6839 0.2643 0.2643 0.6794 0.6821 2.0422 2.0462 5.3925 5.3925 9.7396 9.7397 10.4447 10.4454 13.2225 13.2256 k = 0.4980 0.0011 0.2462 ( 3283 PWs) bands (ev): -47.3219 -47.3219 -22.1232 -22.1231 -19.3672 -19.3612 -19.1971 -19.1937 -19.1759 -19.1730 -17.5590 -17.5585 -7.6012 -7.6011 -4.7904 -4.7900 -3.9215 -3.9215 -3.6782 -3.6774 0.2612 0.2612 0.6694 0.6717 2.0395 2.0429 5.3894 5.3894 9.7312 9.7313 10.4526 10.4532 13.2533 13.2561 k = 0.4983 0.0135 0.2411 ( 3274 PWs) bands (ev): -47.3219 -47.3219 -22.1240 -22.1239 -19.3661 -19.3611 -19.1959 -19.1931 -19.1755 -19.1729 -17.5596 -17.5592 -7.5943 -7.5942 -4.8011 -4.8008 -3.9195 -3.9195 -3.6725 -3.6719 0.2585 0.2585 0.6610 0.6629 2.0372 2.0401 5.3868 5.3868 9.7241 9.7242 10.4595 10.4600 13.2802 13.2825 k = 0.4986 0.0258 0.2360 ( 3276 PWs) bands (ev): -47.3219 -47.3219 -22.1247 -22.1246 -19.3652 -19.3611 -19.1949 -19.1927 -19.1752 -19.1730 -17.5600 -17.5597 -7.5886 -7.5885 -4.8100 -4.8098 -3.9178 -3.9178 -3.6678 -3.6673 0.2562 0.2562 0.6540 0.6556 2.0353 2.0376 5.3846 5.3846 9.7182 9.7183 10.4653 10.4657 13.3027 13.3046 k = 0.4990 0.0382 0.2309 ( 3279 PWs) bands (ev): -47.3219 -47.3219 -22.1252 -22.1251 -19.3643 -19.3613 -19.1940 -19.1925 -19.1748 -19.1731 -17.5604 -17.5601 -7.5841 -7.5840 -4.8170 -4.8169 -3.9165 -3.9165 -3.6640 -3.6637 0.2544 0.2544 0.6487 0.6498 2.0339 2.0356 5.3829 5.3829 9.7137 9.7138 10.4700 10.4703 13.3206 13.3220 k = 0.4993 0.0505 0.2258 ( 3279 PWs) bands (ev): -47.3219 -47.3219 -22.1256 -22.1255 -19.3636 -19.3615 -19.1934 -19.1924 -19.1745 -19.1733 -17.5606 -17.5605 -7.5808 -7.5807 -4.8221 -4.8219 -3.9156 -3.9156 -3.6613 -3.6611 0.2532 0.2532 0.6449 0.6456 2.0329 2.0341 5.3816 5.3816 9.7104 9.7105 10.4734 10.4736 13.3336 13.3346 k = 0.4997 0.0629 0.2207 ( 3275 PWs) bands (ev): -47.3219 -47.3219 -22.1258 -22.1257 -19.3629 -19.3618 -19.1928 -19.1923 -19.1742 -19.1736 -17.5608 -17.5607 -7.5788 -7.5788 -4.8251 -4.8250 -3.9150 -3.9150 -3.6597 -3.6596 0.2524 0.2524 0.6427 0.6431 2.0325 2.0331 5.3809 5.3809 9.7085 9.7085 10.4755 10.4756 13.3416 13.3421 k = 0.5000 0.0752 0.2156 ( 3274 PWs) bands (ev): -47.3219 -47.3219 -22.1258 -22.1258 -19.3623 -19.3623 -19.1925 -19.1925 -19.1738 -19.1738 -17.5608 -17.5608 -7.5781 -7.5781 -4.8261 -4.8261 -3.9148 -3.9148 -3.6591 -3.6591 0.2522 0.2522 0.6421 0.6421 2.0325 2.0325 5.3807 5.3807 9.7078 9.7078 10.4762 10.4762 13.3445 13.3445 k = 0.5000 0.0752 0.2156 ( 3274 PWs) bands (ev): -47.3219 -47.3219 -22.1258 -22.1258 -19.3623 -19.3623 -19.1925 -19.1925 -19.1738 -19.1738 -17.5608 -17.5608 -7.5781 -7.5781 -4.8261 -4.8261 -3.9148 -3.9148 -3.6591 -3.6591 0.2522 0.2522 0.6421 0.6421 2.0325 2.0325 5.3807 5.3807 9.7078 9.7078 10.4762 10.4762 13.3445 13.3445 k = 0.4944 0.0800 0.2268 ( 3280 PWs) bands (ev): -47.3219 -47.3219 -22.1258 -22.1258 -19.3626 -19.3621 -19.1928 -19.1924 -19.1743 -19.1735 -17.5607 -17.5606 -7.5781 -7.5781 -4.8260 -4.8259 -3.9156 -3.9154 -3.6593 -3.6592 0.2512 0.2516 0.6422 0.6426 2.0327 2.0327 5.3798 5.3800 9.7095 9.7096 10.4778 10.4779 13.3451 13.3453 k = 0.4889 0.0848 0.2381 ( 3280 PWs) bands (ev): -47.3219 -47.3219 -22.1256 -22.1256 -19.3630 -19.3619 -19.1931 -19.1923 -19.1748 -19.1731 -17.5604 -17.5603 -7.5779 -7.5778 -4.8256 -4.8254 -3.9178 -3.9173 -3.6597 -3.6595 0.2487 0.2495 0.6430 0.6438 2.0333 2.0334 5.3776 5.3779 9.7144 9.7147 10.4825 10.4827 13.3472 13.3476 k = 0.4833 0.0896 0.2493 ( 3276 PWs) bands (ev): -47.3219 -47.3219 -22.1253 -22.1253 -19.3634 -19.3618 -19.1936 -19.1923 -19.1753 -19.1729 -17.5599 -17.5597 -7.5775 -7.5775 -4.8249 -4.8246 -3.9214 -3.9207 -3.6604 -3.6601 0.2447 0.2459 0.6445 0.6457 2.0343 2.0345 5.3739 5.3744 9.7227 9.7231 10.4905 10.4908 13.3506 13.3513 k = 0.4778 0.0943 0.2605 ( 3274 PWs) bands (ev): -47.3219 -47.3219 -22.1248 -22.1248 -19.3640 -19.3618 -19.1941 -19.1925 -19.1757 -19.1726 -17.5592 -17.5589 -7.5770 -7.5769 -4.8239 -4.8235 -3.9263 -3.9254 -3.6614 -3.6609 0.2393 0.2408 0.6467 0.6481 2.0357 2.0359 5.3688 5.3695 9.7343 9.7348 10.5016 10.5020 13.3555 13.3563 k = 0.4722 0.0991 0.2717 ( 3272 PWs) bands (ev): -47.3219 -47.3219 -22.1242 -22.1242 -19.3645 -19.3618 -19.1947 -19.1927 -19.1763 -19.1724 -17.5583 -17.5579 -7.5763 -7.5763 -4.8226 -4.8222 -3.9326 -3.9314 -3.6626 -3.6620 0.2324 0.2343 0.6494 0.6512 2.0375 2.0378 5.3623 5.3632 9.7491 9.7497 10.5158 10.5164 13.3617 13.3628 k = 0.4667 0.1039 0.2829 ( 3270 PWs) bands (ev): -47.3218 -47.3218 -22.1236 -22.1236 -19.3652 -19.3619 -19.1955 -19.1931 -19.1768 -19.1723 -17.5571 -17.5566 -7.5755 -7.5755 -4.8211 -4.8206 -3.9401 -3.9387 -3.6641 -3.6634 0.2243 0.2264 0.6528 0.6548 2.0397 2.0400 5.3545 5.3555 9.7671 9.7678 10.5332 10.5339 13.3693 13.3705 k = 0.4611 0.1087 0.2941 ( 3268 PWs) bands (ev): -47.3218 -47.3218 -22.1228 -22.1228 -19.3659 -19.3621 -19.1963 -19.1936 -19.1773 -19.1723 -17.5558 -17.5552 -7.5746 -7.5745 -4.8193 -4.8188 -3.9488 -3.9472 -3.6658 -3.6650 0.2148 0.2172 0.6566 0.6589 2.0422 2.0426 5.3453 5.3466 9.7881 9.7889 10.5537 10.5545 13.3781 13.3795 k = 0.4556 0.1135 0.3053 ( 3272 PWs) bands (ev): -47.3218 -47.3218 -22.1218 -22.1218 -19.3667 -19.3624 -19.1973 -19.1942 -19.1777 -19.1723 -17.5542 -17.5536 -7.5735 -7.5735 -4.8174 -4.8167 -3.9586 -3.9568 -3.6678 -3.6670 0.2041 0.2068 0.6610 0.6635 2.0451 2.0456 5.3349 5.3364 9.8122 9.8131 10.5771 10.5780 13.3881 13.3898 k = 0.4500 0.1182 0.3166 ( 3268 PWs) bands (ev): -47.3218 -47.3218 -22.1208 -22.1208 -19.3675 -19.3627 -19.1983 -19.1949 -19.1782 -19.1724 -17.5525 -17.5518 -7.5724 -7.5723 -4.8152 -4.8144 -3.9694 -3.9674 -3.6701 -3.6691 0.1923 0.1952 0.6659 0.6686 2.0483 2.0488 5.3234 5.3250 9.8391 9.8402 10.6036 10.6046 13.3992 13.4011 k = 0.4444 0.1230 0.3278 ( 3268 PWs) bands (ev): -47.3217 -47.3217 -22.1197 -22.1197 -19.3684 -19.3631 -19.1995 -19.1956 -19.1785 -19.1724 -17.5506 -17.5499 -7.5711 -7.5710 -4.8128 -4.8119 -3.9812 -3.9789 -3.6726 -3.6715 0.1794 0.1825 0.6711 0.6740 2.0519 2.0524 5.3107 5.3125 9.8689 9.8700 10.6329 10.6340 13.4114 13.4135 k = 0.4389 0.1278 0.3390 ( 3268 PWs) bands (ev): -47.3217 -47.3217 -22.1185 -22.1185 -19.3693 -19.3636 -19.2008 -19.1965 -19.1789 -19.1726 -17.5486 -17.5478 -7.5696 -7.5695 -4.8103 -4.8093 -3.9938 -3.9913 -3.6754 -3.6742 0.1656 0.1688 0.6768 0.6797 2.0557 2.0563 5.2970 5.2989 9.9013 9.9025 10.6650 10.6662 13.4245 13.4268 k = 0.4333 0.1326 0.3502 ( 3264 PWs) bands (ev): -47.3216 -47.3216 -22.1171 -22.1171 -19.3703 -19.3641 -19.2022 -19.1975 -19.1792 -19.1727 -17.5463 -17.5455 -7.5681 -7.5680 -4.8077 -4.8066 -4.0071 -4.0045 -3.6784 -3.6772 0.1509 0.1542 0.6827 0.6858 2.0598 2.0605 5.2823 5.2844 9.9362 9.9375 10.6998 10.7012 13.4383 13.4409 k = 0.4278 0.1374 0.3614 ( 3268 PWs) bands (ev): -47.3216 -47.3216 -22.1157 -22.1157 -19.3714 -19.3647 -19.2037 -19.1986 -19.1794 -19.1729 -17.5440 -17.5431 -7.5665 -7.5663 -4.8050 -4.8038 -4.0211 -4.0182 -3.6817 -3.6804 0.1354 0.1388 0.6890 0.6921 2.0641 2.0648 5.2668 5.2690 9.9735 9.9749 10.7373 10.7387 13.4528 13.4556 k = 0.4222 0.1422 0.3726 ( 3274 PWs) bands (ev): -47.3216 -47.3216 -22.1142 -22.1142 -19.3725 -19.3654 -19.2053 -19.1997 -19.1797 -19.1731 -17.5415 -17.5405 -7.5648 -7.5646 -4.8023 -4.8010 -4.0355 -4.0325 -3.6852 -3.6839 0.1192 0.1226 0.6954 0.6986 2.0687 2.0694 5.2504 5.2528 10.0131 10.0146 10.7773 10.7788 13.4677 13.4707 k = 0.4167 0.1469 0.3838 ( 3274 PWs) bands (ev): -47.3215 -47.3215 -22.1127 -22.1127 -19.3737 -19.3662 -19.2070 -19.2009 -19.1798 -19.1733 -17.5389 -17.5379 -7.5630 -7.5628 -4.7996 -4.7982 -4.0503 -4.0471 -3.6891 -3.6876 0.1023 0.1058 0.7022 0.7053 2.0734 2.0742 5.2333 5.2358 10.0549 10.0563 10.8196 10.8212 13.4828 13.4860 k = 0.4111 0.1517 0.3951 ( 3276 PWs) bands (ev): -47.3215 -47.3215 -22.1111 -22.1111 -19.3749 -19.3670 -19.2087 -19.2021 -19.1800 -19.1736 -17.5362 -17.5351 -7.5611 -7.5609 -4.7969 -4.7954 -4.0654 -4.0619 -3.6931 -3.6916 0.0850 0.0885 0.7090 0.7122 2.0783 2.0791 5.2156 5.2183 10.0986 10.1001 10.8642 10.8659 13.4977 13.5012 k = 0.4056 0.1565 0.4063 ( 3278 PWs) bands (ev): -47.3214 -47.3214 -22.1094 -22.1094 -19.3762 -19.3679 -19.2105 -19.2034 -19.1801 -19.1738 -17.5334 -17.5323 -7.5591 -7.5590 -4.7944 -4.7927 -4.0805 -4.0769 -3.6974 -3.6959 0.0672 0.0707 0.7160 0.7191 2.0834 2.0842 5.1974 5.2002 10.1441 10.1457 10.9109 10.9127 13.5123 13.5160 k = 0.4000 0.1613 0.4175 ( 3274 PWs) bands (ev): -47.3214 -47.3214 -22.1076 -22.1076 -19.3774 -19.3688 -19.2123 -19.2046 -19.1802 -19.1740 -17.5305 -17.5294 -7.5571 -7.5570 -4.7920 -4.7902 -4.0956 -4.0918 -3.7019 -3.7003 0.0490 0.0525 0.7231 0.7262 2.0885 2.0893 5.1788 5.1817 10.1914 10.1930 10.9596 10.9615 13.5259 13.5299 k = 0.3944 0.1661 0.4287 ( 3270 PWs) bands (ev): -47.3213 -47.3213 -22.1059 -22.1058 -19.3787 -19.3697 -19.2141 -19.2059 -19.1803 -19.1742 -17.5276 -17.5264 -7.5551 -7.5549 -4.7898 -4.7879 -4.1105 -4.1065 -3.7067 -3.7050 0.0306 0.0341 0.7303 0.7333 2.0937 2.0946 5.1598 5.1629 10.2402 10.2419 11.0101 11.0121 13.5381 13.5423 k = 0.3889 0.1709 0.4399 ( 3268 PWs) bands (ev): -47.3212 -47.3212 -22.1040 -22.1040 -19.3800 -19.3708 -19.2159 -19.2072 -19.1804 -19.1745 -17.5246 -17.5234 -7.5530 -7.5528 -4.7879 -4.7858 -4.1251 -4.1209 -3.7117 -3.7099 0.0121 0.0155 0.7375 0.7405 2.0990 2.0999 5.1406 5.1438 10.2905 10.2923 11.0621 11.0642 13.5481 13.5525 k = 0.3833 0.1756 0.4511 ( 3268 PWs) bands (ev): -47.3212 -47.3212 -22.1022 -22.1022 -19.3814 -19.3718 -19.2178 -19.2086 -19.1805 -19.1747 -17.5216 -17.5203 -7.5509 -7.5507 -4.7863 -4.7841 -4.1392 -4.1349 -3.7169 -3.7151 -0.0066 -0.0032 0.7447 0.7476 2.1043 2.1052 5.1212 5.1245 10.3421 10.3439 11.1156 11.1178 13.5550 13.5596 k = 0.3778 0.1804 0.4623 ( 3270 PWs) bands (ev): -47.3211 -47.3211 -22.1004 -22.1004 -19.3827 -19.3729 -19.2196 -19.2099 -19.1805 -19.1749 -17.5185 -17.5173 -7.5488 -7.5485 -4.7850 -4.7828 -4.1528 -4.1483 -3.7223 -3.7204 -0.0253 -0.0219 0.7518 0.7547 2.1096 2.1105 5.1018 5.1052 10.3949 10.3968 11.1703 11.1726 13.5576 13.5624 k = 0.3722 0.1852 0.4736 ( 3272 PWs) bands (ev): -47.3211 -47.3211 -22.0985 -22.0985 -19.3841 -19.3741 -19.2214 -19.2113 -19.1806 -19.1752 -17.5155 -17.5142 -7.5466 -7.5464 -4.7842 -4.7819 -4.1657 -4.1611 -3.7279 -3.7260 -0.0438 -0.0405 0.7590 0.7617 2.1149 2.1157 5.0824 5.0860 10.4487 10.4507 11.2260 11.2284 13.5546 13.5594 k = 0.3667 0.1900 0.4848 ( 3268 PWs) bands (ev): -47.3210 -47.3210 -22.0967 -22.0966 -19.3855 -19.3753 -19.2232 -19.2126 -19.1806 -19.1754 -17.5125 -17.5112 -7.5445 -7.5443 -4.7839 -4.7814 -4.1778 -4.1730 -3.7336 -3.7317 -0.0622 -0.0589 0.7660 0.7686 2.1201 2.1210 5.0632 5.0669 10.5036 10.5055 11.2825 11.2850 13.5444 13.5493 k = 0.3611 0.1948 0.4960 ( 3258 PWs) bands (ev): -47.3210 -47.3210 -22.0948 -22.0948 -19.3868 -19.3764 -19.2249 -19.2138 -19.1806 -19.1755 -17.5095 -17.5082 -7.5424 -7.5421 -4.7840 -4.7814 -4.1890 -4.1841 -3.7395 -3.7375 -0.0803 -0.0771 0.7729 0.7755 2.1253 2.1261 5.0443 5.0480 10.5592 10.5613 11.3395 11.3422 13.5258 13.5306 k = 0.3556 0.1995 0.5072 ( 3260 PWs) bands (ev): -47.3209 -47.3209 -22.0930 -22.0930 -19.3882 -19.3776 -19.2266 -19.2151 -19.1806 -19.1757 -17.5065 -17.5052 -7.5403 -7.5400 -4.7847 -4.7820 -4.1992 -4.1942 -3.7455 -3.7435 -0.0981 -0.0949 0.7796 0.7821 2.1303 2.1312 5.0256 5.0294 10.6156 10.6177 11.3969 11.3996 13.4981 13.5026 k = 0.3500 0.2043 0.5184 ( 3260 PWs) bands (ev): -47.3208 -47.3208 -22.0912 -22.0912 -19.3896 -19.3788 -19.2282 -19.2163 -19.1806 -19.1759 -17.5036 -17.5023 -7.5382 -7.5380 -4.7858 -4.7831 -4.2084 -4.2033 -3.7516 -3.7495 -0.1155 -0.1123 0.7862 0.7886 2.1353 2.1361 5.0073 5.0112 10.6726 10.6747 11.4542 11.4571 13.4614 13.4656 k = 0.3444 0.2091 0.5296 ( 3262 PWs) bands (ev): -47.3208 -47.3208 -22.0894 -22.0894 -19.3909 -19.3801 -19.2298 -19.2176 -19.1806 -19.1761 -17.5008 -17.4994 -7.5362 -7.5359 -4.7875 -4.7846 -4.2165 -4.2114 -3.7578 -3.7557 -0.1324 -0.1292 0.7926 0.7949 2.1400 2.1409 4.9895 4.9935 10.7300 10.7323 11.5114 11.5145 13.4166 13.4204 k = 0.3389 0.2139 0.5408 ( 3258 PWs) bands (ev): -47.3207 -47.3207 -22.0877 -22.0877 -19.3922 -19.3812 -19.2313 -19.2187 -19.1806 -19.1763 -17.4980 -17.4967 -7.5342 -7.5340 -4.7896 -4.7867 -4.2236 -4.2184 -3.7640 -3.7619 -0.1487 -0.1456 0.7987 0.8009 2.1447 2.1455 4.9723 4.9764 10.7878 10.7901 11.5681 11.5713 13.3652 13.3688 k = 0.3333 0.2187 0.5521 ( 3262 PWs) bands (ev): -47.3207 -47.3207 -22.0861 -22.0861 -19.3935 -19.3824 -19.2327 -19.2198 -19.1806 -19.1765 -17.4954 -17.4940 -7.5324 -7.5321 -4.7922 -4.7893 -4.2296 -4.2245 -3.7702 -3.7681 -0.1644 -0.1613 0.8046 0.8067 2.1491 2.1499 4.9558 4.9599 10.8458 10.8482 11.6241 11.6274 13.3089 13.3122 k = 0.3278 0.2235 0.5633 ( 3260 PWs) bands (ev): -47.3206 -47.3206 -22.0845 -22.0845 -19.3947 -19.3836 -19.2341 -19.2209 -19.1806 -19.1767 -17.4929 -17.4915 -7.5305 -7.5303 -4.7951 -4.7922 -4.2346 -4.2295 -3.7764 -3.7742 -0.1794 -0.1763 0.8102 0.8122 2.1534 2.1541 4.9399 4.9441 10.9038 10.9063 11.6791 11.6825 13.2490 13.2521 k = 0.3222 0.2282 0.5745 ( 3260 PWs) bands (ev): -47.3206 -47.3206 -22.0830 -22.0830 -19.3958 -19.3847 -19.2353 -19.2219 -19.1806 -19.1768 -17.4904 -17.4891 -7.5288 -7.5285 -4.7984 -4.7955 -4.2386 -4.2335 -3.7825 -3.7803 -0.1936 -0.1906 0.8156 0.8175 2.1574 2.1581 4.9249 4.9292 10.9616 10.9643 11.7327 11.7363 13.1868 13.1897 k = 0.3167 0.2330 0.5857 ( 3260 PWs) bands (ev): -47.3206 -47.3206 -22.0816 -22.0816 -19.3970 -19.3858 -19.2365 -19.2229 -19.1806 -19.1770 -17.4882 -17.4868 -7.5272 -7.5269 -4.8019 -4.7990 -4.2417 -4.2367 -3.7885 -3.7863 -0.2070 -0.2040 0.8206 0.8224 2.1612 2.1618 4.9107 4.9150 11.0191 11.0219 11.7847 11.7885 13.1232 13.1261 k = 0.3111 0.2378 0.5969 ( 3260 PWs) bands (ev): -47.3205 -47.3205 -22.0802 -22.0802 -19.3980 -19.3868 -19.2376 -19.2237 -19.1806 -19.1771 -17.4860 -17.4847 -7.5256 -7.5253 -4.8056 -4.8027 -4.2440 -4.2390 -3.7942 -3.7921 -0.2195 -0.2166 0.8253 0.8270 2.1648 2.1654 4.8974 4.9018 11.0759 11.0788 11.8348 11.8388 13.0593 13.0622 k = 0.3056 0.2426 0.6081 ( 3262 PWs) bands (ev): -47.3205 -47.3205 -22.0790 -22.0790 -19.3990 -19.3878 -19.2386 -19.2246 -19.1806 -19.1773 -17.4840 -17.4827 -7.5242 -7.5239 -4.8093 -4.8064 -4.2456 -4.2407 -3.7998 -3.7976 -0.2312 -0.2283 0.8296 0.8312 2.1681 2.1686 4.8850 4.8895 11.1316 11.1347 11.8827 11.8868 12.9956 12.9986 k = 0.3000 0.2474 0.6193 ( 3266 PWs) bands (ev): -47.3205 -47.3205 -22.0778 -22.0778 -19.3999 -19.3887 -19.2396 -19.2253 -19.1805 -19.1774 -17.4822 -17.4808 -7.5229 -7.5226 -4.8130 -4.8102 -4.2466 -4.2418 -3.8051 -3.8029 -0.2418 -0.2390 0.8336 0.8351 2.1711 2.1716 4.8737 4.8782 11.1860 11.1892 11.9279 11.9323 12.9330 12.9361 k = 0.2944 0.2522 0.6306 ( 3268 PWs) bands (ev): -47.3204 -47.3204 -22.0768 -22.0768 -19.4008 -19.3896 -19.2404 -19.2260 -19.1805 -19.1775 -17.4805 -17.4792 -7.5217 -7.5214 -4.8166 -4.8138 -4.2471 -4.2424 -3.8100 -3.8078 -0.2515 -0.2486 0.8373 0.8387 2.1738 2.1743 4.8634 4.8679 11.2385 11.2419 11.9703 11.9748 12.8722 12.8754 k = 0.2889 0.2569 0.6418 ( 3272 PWs) bands (ev): -47.3204 -47.3204 -22.0758 -22.0758 -19.4015 -19.3903 -19.2411 -19.2266 -19.1805 -19.1776 -17.4790 -17.4777 -7.5206 -7.5203 -4.8200 -4.8172 -4.2472 -4.2426 -3.8145 -3.8123 -0.2601 -0.2573 0.8405 0.8418 2.1762 2.1766 4.8542 4.8588 11.2884 11.2920 12.0093 12.0142 12.8139 12.8173 k = 0.2833 0.2617 0.6530 ( 3272 PWs) bands (ev): -47.3204 -47.3204 -22.0750 -22.0750 -19.4022 -19.3910 -19.2418 -19.2272 -19.1805 -19.1777 -17.4777 -17.4764 -7.5197 -7.5193 -4.8231 -4.8203 -4.2470 -4.2425 -3.8185 -3.8164 -0.2676 -0.2648 0.8433 0.8445 2.1784 2.1787 4.8462 4.8508 11.3351 11.3389 12.0448 12.0499 12.7591 12.7628 k = 0.2778 0.2665 0.6642 ( 3270 PWs) bands (ev): -47.3204 -47.3204 -22.0743 -22.0743 -19.4028 -19.3915 -19.2423 -19.2276 -19.1804 -19.1778 -17.4766 -17.4753 -7.5189 -7.5185 -4.8259 -4.8231 -4.2467 -4.2423 -3.8220 -3.8199 -0.2741 -0.2712 0.8457 0.8469 2.1802 2.1805 4.8393 4.8440 11.3776 11.3816 12.0763 12.0817 12.7088 12.7128 k = 0.2722 0.2713 0.6754 ( 3270 PWs) bands (ev): -47.3203 -47.3203 -22.0737 -22.0737 -19.4032 -19.3920 -19.2427 -19.2280 -19.1804 -19.1778 -17.4757 -17.4744 -7.5182 -7.5179 -4.8282 -4.8255 -4.2462 -4.2420 -3.8250 -3.8229 -0.2794 -0.2766 0.8477 0.8488 2.1817 2.1820 4.8337 4.8384 11.4148 11.4190 12.1033 12.1090 12.6642 12.6686 k = 0.2667 0.2761 0.6866 ( 3276 PWs) bands (ev): -47.3203 -47.3203 -22.0733 -22.0733 -19.4036 -19.3924 -19.2431 -19.2283 -19.1804 -19.1779 -17.4750 -17.4737 -7.5177 -7.5173 -4.8301 -4.8274 -4.2458 -4.2416 -3.8274 -3.8253 -0.2835 -0.2807 0.8492 0.8503 2.1829 2.1831 4.8293 4.8340 11.4455 11.4499 12.1255 12.1315 12.6269 12.6317 k = 0.2611 0.2809 0.6978 ( 3278 PWs) bands (ev): -47.3203 -47.3203 -22.0730 -22.0730 -19.4039 -19.3927 -19.2433 -19.2285 -19.1805 -19.1780 -17.4745 -17.4732 -7.5173 -7.5170 -4.8315 -4.8288 -4.2455 -4.2413 -3.8291 -3.8271 -0.2865 -0.2837 0.8503 0.8513 2.1838 2.1839 4.8262 4.8309 11.4686 11.4732 12.1420 12.1484 12.5984 12.6035 k = 0.2556 0.2856 0.7091 ( 3276 PWs) bands (ev): -47.3203 -47.3203 -22.0728 -22.0728 -19.4040 -19.3928 -19.2435 -19.2286 -19.1804 -19.1780 -17.4742 -17.4729 -7.5171 -7.5167 -4.8323 -4.8296 -4.2453 -4.2411 -3.8301 -3.8281 -0.2882 -0.2854 0.8510 0.8520 2.1843 2.1844 4.8243 4.8290 11.4830 11.4876 12.1524 12.1590 12.5804 12.5858 k = 0.2500 0.2904 0.7203 ( 3280 PWs) bands (ev): -47.3203 -47.3203 -22.0727 -22.0727 -19.4041 -19.3929 -19.2436 -19.2287 -19.1805 -19.1780 -17.4741 -17.4728 -7.5170 -7.5167 -4.8326 -4.8299 -4.2452 -4.2411 -3.8305 -3.8285 -0.2888 -0.2860 0.8512 0.8522 2.1845 2.1845 4.8236 4.8283 11.4879 11.4925 12.1559 12.1626 12.5742 12.5797 k = 0.3374-0.2904 0.7203 ( 3261 PWs) bands (ev): -47.3207 -47.3207 -22.0678 -22.0674 -19.3918 -19.3862 -19.2262 -19.2227 -19.1960 -19.1874 -17.5175 -17.5174 -7.7969 -7.7962 -4.4513 -4.4477 -4.2559 -4.2553 -3.8981 -3.8933 0.0311 0.0338 1.3266 1.3295 2.0454 2.0471 5.0266 5.0280 11.0774 11.0802 11.5466 11.5475 12.2377 12.2398 k = 0.3429-0.2952 0.7091 ( 3255 PWs) bands (ev): -47.3207 -47.3207 -22.0678 -22.0674 -19.3924 -19.3870 -19.2271 -19.2235 -19.1958 -19.1873 -17.5179 -17.5178 -7.8061 -7.8053 -4.4314 -4.4279 -4.2533 -4.2526 -3.9037 -3.8991 0.0511 0.0537 1.3332 1.3361 2.0443 2.0461 5.0544 5.0558 11.0459 11.0484 11.5055 11.5064 12.2031 12.2071 k = 0.3484-0.2999 0.6980 ( 3257 PWs) bands (ev): -47.3208 -47.3208 -22.0678 -22.0675 -19.3931 -19.3879 -19.2280 -19.2243 -19.1957 -19.1873 -17.5183 -17.5182 -7.8151 -7.8144 -4.4112 -4.4077 -4.2507 -4.2500 -3.9094 -3.9048 0.0712 0.0739 1.3395 1.3424 2.0431 2.0450 5.0824 5.0838 11.0128 11.0150 11.4613 11.4622 12.1381 12.1418 k = 0.3539-0.3047 0.6869 ( 3251 PWs) bands (ev): -47.3208 -47.3208 -22.0679 -22.0676 -19.3937 -19.3888 -19.2289 -19.2251 -19.1954 -19.1872 -17.5186 -17.5185 -7.8240 -7.8233 -4.3905 -4.3871 -4.2483 -4.2476 -3.9151 -3.9106 0.0916 0.0942 1.3455 1.3485 2.0419 2.0438 5.1107 5.1120 10.9785 10.9805 11.4141 11.4150 12.0738 12.0774 k = 0.3594-0.3094 0.6757 ( 3257 PWs) bands (ev): -47.3209 -47.3209 -22.0681 -22.0677 -19.3945 -19.3897 -19.2297 -19.2259 -19.1952 -19.1872 -17.5189 -17.5188 -7.8328 -7.8321 -4.3696 -4.3662 -4.2460 -4.2453 -3.9207 -3.9163 0.1121 0.1146 1.3514 1.3543 2.0405 2.0424 5.1390 5.1402 10.9435 10.9452 11.3641 11.3651 12.0108 12.0143 k = 0.3650-0.3142 0.6646 ( 3259 PWs) bands (ev): -47.3209 -47.3209 -22.0683 -22.0679 -19.3952 -19.3906 -19.2306 -19.2267 -19.1950 -19.1871 -17.5192 -17.5191 -7.8415 -7.8408 -4.3486 -4.3452 -4.2439 -4.2431 -3.9263 -3.9219 0.1325 0.1351 1.3569 1.3599 2.0390 2.0410 5.1673 5.1685 10.9079 10.9093 11.3119 11.3129 11.9494 11.9527 k = 0.3705-0.3189 0.6534 ( 3256 PWs) bands (ev): -47.3210 -47.3210 -22.0685 -22.0682 -19.3959 -19.3915 -19.2314 -19.2275 -19.1946 -19.1871 -17.5194 -17.5193 -7.8499 -7.8492 -4.3276 -4.3242 -4.2418 -4.2409 -3.9319 -3.9275 0.1529 0.1554 1.3622 1.3652 2.0375 2.0396 5.1954 5.1965 10.8719 10.8732 11.2578 11.2588 11.8896 11.8927 k = 0.3760-0.3237 0.6423 ( 3258 PWs) bands (ev): -47.3210 -47.3210 -22.0687 -22.0684 -19.3966 -19.3924 -19.2322 -19.2283 -19.1943 -19.1870 -17.5196 -17.5195 -7.8581 -7.8574 -4.3066 -4.3033 -4.2398 -4.2389 -3.9373 -3.9330 0.1732 0.1756 1.3673 1.3703 2.0359 2.0380 5.2232 5.2244 10.8358 10.8369 11.2025 11.2035 11.8316 11.8345 k = 0.3815-0.3284 0.6312 ( 3260 PWs) bands (ev): -47.3211 -47.3211 -22.0690 -22.0687 -19.3974 -19.3934 -19.2330 -19.2291 -19.1939 -19.1869 -17.5198 -17.5197 -7.8661 -7.8654 -4.2859 -4.2826 -4.2377 -4.2368 -3.9427 -3.9384 0.1931 0.1956 1.3721 1.3751 2.0343 2.0365 5.2507 5.2518 10.7997 10.8006 11.1466 11.1477 11.7754 11.7781 k = 0.3870-0.3332 0.6200 ( 3258 PWs) bands (ev): -47.3211 -47.3211 -22.0693 -22.0690 -19.3981 -19.3943 -19.2337 -19.2298 -19.1935 -19.1868 -17.5200 -17.5199 -7.8738 -7.8732 -4.2658 -4.2626 -4.2355 -4.2343 -3.9479 -3.9437 0.2128 0.2152 1.3766 1.3796 2.0326 2.0349 5.2777 5.2788 10.7635 10.7643 11.0910 11.0921 11.7212 11.7238 k = 0.3926-0.3379 0.6089 ( 3256 PWs) bands (ev): -47.3212 -47.3212 -22.0696 -22.0693 -19.3988 -19.3951 -19.2343 -19.2306 -19.1931 -19.1866 -17.5201 -17.5200 -7.8812 -7.8806 -4.2476 -4.2451 -4.2318 -4.2300 -3.9529 -3.9488 0.2321 0.2344 1.3809 1.3838 2.0310 2.0333 5.3041 5.3051 10.7274 10.7281 11.0361 11.0373 11.6691 11.6715 k = 0.3981-0.3427 0.5977 ( 3256 PWs) bands (ev): -47.3212 -47.3212 -22.0699 -22.0696 -19.3996 -19.3960 -19.2350 -19.2313 -19.1927 -19.1865 -17.5202 -17.5201 -7.8884 -7.8878 -4.2372 -4.2366 -4.2205 -4.2175 -3.9578 -3.9537 0.2508 0.2531 1.3849 1.3878 2.0293 2.0317 5.3298 5.3307 10.6913 10.6919 10.9829 10.9841 11.6192 11.6215 k = 0.4036-0.3474 0.5866 ( 3258 PWs) bands (ev): -47.3213 -47.3213 -22.0702 -22.0699 -19.4003 -19.3969 -19.2356 -19.2319 -19.1922 -19.1864 -17.5203 -17.5202 -7.8952 -7.8946 -4.2340 -4.2338 -4.2030 -4.1997 -3.9625 -3.9584 0.2690 0.2711 1.3886 1.3915 2.0277 2.0301 5.3546 5.3555 10.6553 10.6559 10.9319 10.9331 11.5717 11.5739 k = 0.4091-0.3522 0.5755 ( 3252 PWs) bands (ev): -47.3213 -47.3213 -22.0705 -22.0703 -19.4010 -19.3977 -19.2361 -19.2326 -19.1917 -19.1863 -17.5204 -17.5202 -7.9016 -7.9011 -4.2323 -4.2319 -4.1849 -4.1815 -3.9671 -3.9629 0.2864 0.2885 1.3921 1.3950 2.0261 2.0286 5.3785 5.3793 10.6194 10.6199 10.8837 10.8849 11.5267 11.5287 k = 0.4146-0.3569 0.5643 ( 3256 PWs) bands (ev): -47.3214 -47.3214 -22.0708 -22.0706 -19.4017 -19.3985 -19.2367 -19.2332 -19.1913 -19.1862 -17.5205 -17.5203 -7.9077 -7.9072 -4.2310 -4.2305 -4.1672 -4.1638 -3.9714 -3.9673 0.3031 0.3051 1.3953 1.3982 2.0245 2.0270 5.4013 5.4021 10.5836 10.5842 10.8387 10.8400 11.4843 11.4861 k = 0.4201-0.3617 0.5532 ( 3258 PWs) bands (ev): -47.3214 -47.3214 -22.0711 -22.0709 -19.4023 -19.3993 -19.2372 -19.2338 -19.1908 -19.1861 -17.5205 -17.5204 -7.9134 -7.9129 -4.2299 -4.2293 -4.1503 -4.1468 -3.9755 -3.9714 0.3190 0.3208 1.3983 1.4011 2.0230 2.0256 5.4230 5.4237 10.5481 10.5487 10.7974 10.7986 11.4445 11.4462 k = 0.4257-0.3664 0.5420 ( 3258 PWs) bands (ev): -47.3214 -47.3214 -22.0714 -22.0712 -19.4030 -19.4000 -19.2376 -19.2343 -19.1904 -19.1861 -17.5206 -17.5204 -7.9187 -7.9183 -4.2289 -4.2282 -4.1343 -4.1308 -3.9793 -3.9752 0.3339 0.3356 1.4010 1.4037 2.0216 2.0242 5.4434 5.4440 10.5133 10.5139 10.7600 10.7611 11.4075 11.4091 k = 0.4312-0.3712 0.5309 ( 3258 PWs) bands (ev): -47.3215 -47.3215 -22.0717 -22.0715 -19.4035 -19.4007 -19.2380 -19.2348 -19.1900 -19.1860 -17.5206 -17.5204 -7.9236 -7.9232 -4.2280 -4.2273 -4.1193 -4.1157 -3.9829 -3.9788 0.3478 0.3494 1.4035 1.4062 2.0203 2.0229 5.4624 5.4630 10.4795 10.4801 10.7264 10.7275 11.3735 11.3749 k = 0.4367-0.3759 0.5198 ( 3257 PWs) bands (ev): -47.3215 -47.3215 -22.0720 -22.0718 -19.4041 -19.4013 -19.2384 -19.2352 -19.1895 -19.1859 -17.5206 -17.5205 -7.9281 -7.9277 -4.2272 -4.2265 -4.1054 -4.1018 -3.9862 -3.9821 0.3606 0.3621 1.4057 1.4083 2.0190 2.0217 5.4799 5.4805 10.4472 10.4477 10.6967 10.6977 11.3424 11.3437 k = 0.4422-0.3807 0.5086 ( 3257 PWs) bands (ev): -47.3215 -47.3215 -22.0722 -22.0721 -19.4046 -19.4019 -19.2387 -19.2357 -19.1891 -19.1859 -17.5206 -17.5205 -7.9321 -7.9318 -4.2265 -4.2258 -4.0927 -4.0890 -3.9893 -3.9852 0.3723 0.3737 1.4076 1.4102 2.0179 2.0206 5.4959 5.4964 10.4168 10.4173 10.6707 10.6716 11.3144 11.3155 k = 0.4477-0.3854 0.4975 ( 3254 PWs) bands (ev): -47.3216 -47.3216 -22.0724 -22.0723 -19.4050 -19.4024 -19.2389 -19.2360 -19.1887 -19.1859 -17.5206 -17.5205 -7.9357 -7.9354 -4.2259 -4.2252 -4.0812 -4.0776 -3.9920 -3.9880 0.3828 0.3840 1.4094 1.4119 2.0169 2.0196 5.5102 5.5106 10.3888 10.3892 10.6482 10.6490 11.2894 11.2904 k = 0.4533-0.3902 0.4863 ( 3258 PWs) bands (ev): -47.3216 -47.3216 -22.0726 -22.0725 -19.4054 -19.4028 -19.2392 -19.2363 -19.1883 -19.1859 -17.5207 -17.5205 -7.9389 -7.9386 -4.2254 -4.2247 -4.0710 -4.0674 -3.9945 -3.9905 0.3920 0.3930 1.4108 1.4133 2.0159 2.0187 5.5228 5.5231 10.3636 10.3640 10.6290 10.6297 11.2677 11.2686 k = 0.4588-0.3949 0.4752 ( 3262 PWs) bands (ev): -47.3216 -47.3216 -22.0728 -22.0727 -19.4058 -19.4032 -19.2394 -19.2366 -19.1880 -19.1860 -17.5207 -17.5205 -7.9415 -7.9413 -4.2250 -4.2242 -4.0621 -4.0587 -3.9966 -3.9928 0.3999 0.4008 1.4121 1.4145 2.0151 2.0179 5.5335 5.5338 10.3417 10.3421 10.6130 10.6136 11.2493 11.2500 k = 0.4643-0.3997 0.4641 ( 3262 PWs) bands (ev): -47.3216 -47.3216 -22.0729 -22.0728 -19.4061 -19.4035 -19.2396 -19.2369 -19.1877 -19.1861 -17.5207 -17.5205 -7.9437 -7.9435 -4.2247 -4.2239 -4.0546 -4.0515 -3.9983 -3.9949 0.4065 0.4072 1.4131 1.4155 2.0145 2.0172 5.5424 5.5426 10.3234 10.3237 10.6001 10.6006 11.2341 11.2347 k = 0.4698-0.4044 0.4529 ( 3264 PWs) bands (ev): -47.3216 -47.3216 -22.0730 -22.0730 -19.4063 -19.4038 -19.2397 -19.2370 -19.1874 -19.1862 -17.5207 -17.5205 -7.9454 -7.9453 -4.2244 -4.2236 -4.0486 -4.0459 -3.9996 -3.9966 0.4116 0.4121 1.4139 1.4163 2.0140 2.0167 5.5493 5.5495 10.3089 10.3091 10.5902 10.5906 11.2223 11.2228 k = 0.4753-0.4092 0.4418 ( 3267 PWs) bands (ev): -47.3217 -47.3217 -22.0731 -22.0730 -19.4065 -19.4040 -19.2398 -19.2372 -19.1871 -19.1863 -17.5207 -17.5205 -7.9466 -7.9465 -4.2242 -4.2234 -4.0440 -4.0420 -4.0004 -3.9982 0.4153 0.4156 1.4145 1.4168 2.0136 2.0164 5.5543 5.5544 10.2984 10.2985 10.5831 10.5835 11.2138 11.2142 k = 0.4809-0.4139 0.4306 ( 3268 PWs) bands (ev): -47.3217 -47.3217 -22.0732 -22.0731 -19.4066 -19.4041 -19.2399 -19.2373 -19.1869 -19.1865 -17.5207 -17.5205 -7.9473 -7.9473 -4.2241 -4.2233 -4.0410 -4.0399 -4.0007 -3.9993 0.4176 0.4178 1.4148 1.4172 2.0134 2.0162 5.5574 5.5574 10.2920 10.2921 10.5789 10.5793 11.2088 11.2091 k = 0.4864-0.4187 0.4195 ( 3270 PWs) bands (ev): -47.3217 -47.3217 -22.0732 -22.0731 -19.4066 -19.4042 -19.2399 -19.2373 -19.1867 -19.1867 -17.5207 -17.5205 -7.9476 -7.9475 -4.2240 -4.2232 -4.0397 -4.0396 -4.0007 -3.9999 0.4184 0.4184 1.4149 1.4173 2.0133 2.0161 5.5584 5.5584 10.2899 10.2900 10.5775 10.5779 11.2071 11.2073 k = 0.5136 0.5691 0.0118 ( 3270 PWs) bands (ev): -47.3217 -47.3217 -22.0732 -22.0731 -19.4066 -19.4042 -19.2399 -19.2373 -19.1867 -19.1867 -17.5207 -17.5205 -7.9476 -7.9475 -4.2240 -4.2232 -4.0397 -4.0396 -4.0007 -3.9999 0.4184 0.4184 1.4149 1.4173 2.0133 2.0161 5.5584 5.5584 10.2899 10.2900 10.5775 10.5779 11.2071 11.2073 k = 0.5068 0.5750 0.0059 ( 3270 PWs) bands (ev): -47.3217 -47.3217 -22.0730 -22.0730 -19.4062 -19.4050 -19.2394 -19.2381 -19.1867 -19.1867 -17.5203 -17.5203 -7.9489 -7.9489 -4.2216 -4.2212 -4.0400 -4.0399 -4.0020 -4.0016 0.4188 0.4188 1.4218 1.4230 2.0110 2.0124 5.5588 5.5588 10.2856 10.2857 10.5941 10.5942 11.1852 11.1853 k = 0.5000 0.5808 0.0000 ( 3272 PWs) bands (ev): -47.3217 -47.3217 -22.0730 -22.0730 -19.4057 -19.4057 -19.2388 -19.2388 -19.1867 -19.1867 -17.5202 -17.5202 -7.9494 -7.9494 -4.2207 -4.2207 -4.0401 -4.0401 -4.0023 -4.0023 0.4190 0.4190 1.4245 1.4245 2.0107 2.0107 5.5589 5.5589 10.2842 10.2842 10.5999 10.5999 11.1776 11.1776 Writing output data file NaNO2.save init_run : 1.37s CPU 9.54s WALL ( 1 calls) electrons : 374.93s CPU 380.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 1.82s WALL ( 1 calls) Called by electrons: c_bands : 374.91s CPU 380.12s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.88s WALL ( 1 calls) v_h : 0.04s CPU 0.05s WALL ( 1 calls) v_xc : 0.03s CPU 0.57s WALL ( 1 calls) newd : 0.14s CPU 0.65s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 459 calls) cegterg : 347.93s CPU 350.09s WALL ( 837 calls) Called by sum_band: Called by *egterg: h_psi : 184.27s CPU 190.55s WALL ( 14449 calls) s_psi : 5.00s CPU 5.73s WALL ( 14449 calls) g_psi : 0.38s CPU 0.46s WALL ( 13153 calls) cdiaghg : 110.88s CPU 108.46s WALL ( 13612 calls) cegterg:over : 29.31s CPU 26.03s WALL ( 13153 calls) cegterg:upda : 3.22s CPU 6.36s WALL ( 13153 calls) cegterg:last : 3.64s CPU 4.51s WALL ( 2480 calls) Called by h_psi: h_psi:vloc : 166.58s CPU 172.70s WALL ( 14449 calls) h_psi:vnl : 17.57s CPU 17.44s WALL ( 14449 calls) add_vuspsi : 2.46s CPU 4.80s WALL ( 14449 calls) General routines calbec : 15.07s CPU 12.52s WALL ( 14449 calls) fft : 0.55s CPU 1.42s WALL ( 19 calls) ffts : 0.06s CPU 0.48s WALL ( 4 calls) fftw : 161.69s CPU 166.20s WALL ( 1012612 calls) interpolate : 0.07s CPU 0.51s WALL ( 4 calls) davcio : 0.06s CPU 1.67s WALL ( 918 calls) Parallel routines fft_scatter : 107.81s CPU 110.16s WALL ( 1012635 calls) PWSCF : 7m 4.14s CPU 8m31.27s WALL This run was terminated on: 16: 6:54 9Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=