Program PWSCF v.5.1.1 starts on 9Oct2015 at 16:15:45 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 34 28 8 739 550 87 Max 35 29 9 741 563 90 Sum 1657 1365 403 35541 26713 4237 bravais-lattice index = 14 lattice parameter (alat) = 8.0597 a.u. unit-cell volume = 360.9853 (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)= 8.059708 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.650601 celldm(5)= -0.203041 celldm(6)= -0.146358 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.146358 0.989232 0.000000 ) a(3) = ( -0.203041 -0.687724 0.697001 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.147951 0.437288 ) b(2) = ( 0.000000 1.010885 0.997430 ) b(3) = ( 0.000000 0.000000 1.434718 ) 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) = ( -0.0055925 0.0048259 0.0111562), wk = 0.0021786 k( 3) = ( -0.0111850 0.0096519 0.0223124), wk = 0.0021786 k( 4) = ( -0.0167774 0.0144778 0.0334686), wk = 0.0021786 k( 5) = ( -0.0223699 0.0193038 0.0446248), wk = 0.0021786 k( 6) = ( -0.0279624 0.0241297 0.0557810), wk = 0.0021786 k( 7) = ( -0.0335548 0.0289556 0.0669372), wk = 0.0021786 k( 8) = ( -0.0391473 0.0337816 0.0780934), wk = 0.0021786 k( 9) = ( -0.0447398 0.0386075 0.0892496), wk = 0.0021786 k( 10) = ( -0.0503323 0.0434335 0.1004058), wk = 0.0021786 k( 11) = ( -0.0559247 0.0482594 0.1115620), wk = 0.0021786 k( 12) = ( -0.0615172 0.0530853 0.1227182), wk = 0.0021786 k( 13) = ( -0.0671097 0.0579113 0.1338744), wk = 0.0021786 k( 14) = ( -0.0727021 0.0627372 0.1450306), wk = 0.0021786 k( 15) = ( -0.0782946 0.0675632 0.1561868), wk = 0.0021786 k( 16) = ( -0.0838871 0.0723891 0.1673430), wk = 0.0021786 k( 17) = ( -0.0894796 0.0772150 0.1784992), wk = 0.0021786 k( 18) = ( -0.0950721 0.0820410 0.1896554), wk = 0.0021786 k( 19) = ( -0.1006645 0.0868669 0.2008116), wk = 0.0021786 k( 20) = ( -0.1062570 0.0916928 0.2119678), wk = 0.0021786 k( 21) = ( -0.1118495 0.0965188 0.2231240), wk = 0.0021786 k( 22) = ( -0.1174419 0.1013447 0.2342802), wk = 0.0021786 k( 23) = ( -0.1230344 0.1061707 0.2454364), wk = 0.0021786 k( 24) = ( -0.1286269 0.1109966 0.2565926), wk = 0.0021786 k( 25) = ( -0.1342194 0.1158225 0.2677488), wk = 0.0021786 k( 26) = ( -0.1398118 0.1206485 0.2789050), wk = 0.0021786 k( 27) = ( -0.1454043 0.1254744 0.2900612), wk = 0.0021786 k( 28) = ( -0.1509968 0.1303004 0.3012174), wk = 0.0021786 k( 29) = ( -0.1565893 0.1351263 0.3123736), wk = 0.0021786 k( 30) = ( -0.1621817 0.1399522 0.3235298), wk = 0.0021786 k( 31) = ( -0.1677742 0.1447782 0.3346860), wk = 0.0021786 k( 32) = ( -0.1733667 0.1496041 0.3458422), wk = 0.0021786 k( 33) = ( -0.1789592 0.1544301 0.3569984), wk = 0.0021786 k( 34) = ( -0.1845516 0.1592560 0.3681545), wk = 0.0021786 k( 35) = ( -0.1901441 0.1640819 0.3793108), wk = 0.0021786 k( 36) = ( -0.1957366 0.1689079 0.3904670), wk = 0.0021786 k( 37) = ( -0.2013290 0.1737338 0.4016231), wk = 0.0021786 k( 38) = ( -0.2069215 0.1785598 0.4127794), wk = 0.0021786 k( 39) = ( -0.2125140 0.1833857 0.4239355), wk = 0.0021786 k( 40) = ( -0.2181065 0.1882116 0.4350917), wk = 0.0021786 k( 41) = ( -0.2236989 0.1930376 0.4462479), wk = 0.0021786 k( 42) = ( -0.2292914 0.1978635 0.4574041), wk = 0.0021786 k( 43) = ( -0.2348839 0.2026894 0.4685603), wk = 0.0021786 k( 44) = ( -0.2404764 0.2075154 0.4797165), wk = 0.0021786 k( 45) = ( -0.2460688 0.2123413 0.4908727), wk = 0.0021786 k( 46) = ( -0.2516613 0.2171673 0.5020289), wk = 0.0021786 k( 47) = ( -0.2572538 0.2219932 0.5131851), wk = 0.0021786 k( 48) = ( -0.2628463 0.2268191 0.5243413), wk = 0.0021786 k( 49) = ( -0.2684387 0.2316451 0.5354975), wk = 0.0021786 k( 50) = ( -0.2740312 0.2364710 0.5466537), wk = 0.0021786 k( 51) = ( -0.2796237 0.2412970 0.5578099), wk = 0.0021786 k( 52) = ( -0.2852161 0.2461229 0.5689661), wk = 0.0021786 k( 53) = ( -0.2908086 0.2509488 0.5801223), wk = 0.0021786 k( 54) = ( -0.2964011 0.2557748 0.5912785), wk = 0.0021786 k( 55) = ( -0.3019936 0.2606007 0.6024347), wk = 0.0021786 k( 56) = ( -0.3075860 0.2654267 0.6135909), wk = 0.0021786 k( 57) = ( -0.3131785 0.2702526 0.6247471), wk = 0.0021786 k( 58) = ( -0.3187710 0.2750785 0.6359033), wk = 0.0021786 k( 59) = ( -0.3243635 0.2799045 0.6470595), wk = 0.0021786 k( 60) = ( -0.3299559 0.2847304 0.6582157), wk = 0.0021786 k( 61) = ( -0.3355484 0.2895564 0.6693719), wk = 0.0021786 k( 62) = ( -0.3411409 0.2943823 0.6805281), wk = 0.0021786 k( 63) = ( -0.3467333 0.2992082 0.6916843), wk = 0.0021786 k( 64) = ( -0.3523258 0.3040342 0.7028405), wk = 0.0021786 k( 65) = ( -0.3523258 0.3040342 0.7028405), wk = 0.0021786 k( 66) = ( -0.3440256 0.2968716 0.7100997), wk = 0.0021786 k( 67) = ( -0.3357254 0.2897091 0.7173589), wk = 0.0021786 k( 68) = ( -0.3357254 0.2897091 0.7173589), wk = 0.0021786 k( 69) = ( -0.3255519 0.2809300 0.7173589), wk = 0.0021786 k( 70) = ( -0.3153784 0.2721509 0.7173589), wk = 0.0021786 k( 71) = ( -0.3052049 0.2633719 0.7173589), wk = 0.0021786 k( 72) = ( -0.2950314 0.2545928 0.7173589), wk = 0.0021786 k( 73) = ( -0.2848579 0.2458137 0.7173589), wk = 0.0021786 k( 74) = ( -0.2746844 0.2370347 0.7173589), wk = 0.0021786 k( 75) = ( -0.2645109 0.2282556 0.7173589), wk = 0.0021786 k( 76) = ( -0.2543374 0.2194766 0.7173589), wk = 0.0021786 k( 77) = ( -0.2441639 0.2106975 0.7173589), wk = 0.0021786 k( 78) = ( -0.2339904 0.2019184 0.7173589), wk = 0.0021786 k( 79) = ( -0.2238169 0.1931394 0.7173589), wk = 0.0021786 k( 80) = ( -0.2136434 0.1843603 0.7173589), wk = 0.0021786 k( 81) = ( -0.2034699 0.1755813 0.7173589), wk = 0.0021786 k( 82) = ( -0.1932964 0.1668022 0.7173589), wk = 0.0021786 k( 83) = ( -0.1831229 0.1580231 0.7173589), wk = 0.0021786 k( 84) = ( -0.1729494 0.1492441 0.7173589), wk = 0.0021786 k( 85) = ( -0.1627759 0.1404650 0.7173589), wk = 0.0021786 k( 86) = ( -0.1526024 0.1316859 0.7173589), wk = 0.0021786 k( 87) = ( -0.1424289 0.1229069 0.7173589), wk = 0.0021786 k( 88) = ( -0.1322554 0.1141278 0.7173589), wk = 0.0021786 k( 89) = ( -0.1220819 0.1053488 0.7173589), wk = 0.0021786 k( 90) = ( -0.1119085 0.0965697 0.7173589), wk = 0.0021786 k( 91) = ( -0.1017350 0.0877906 0.7173589), wk = 0.0021786 k( 92) = ( -0.0915615 0.0790116 0.7173589), wk = 0.0021786 k( 93) = ( -0.0813880 0.0702325 0.7173589), wk = 0.0021786 k( 94) = ( -0.0712145 0.0614534 0.7173589), wk = 0.0021786 k( 95) = ( -0.0610410 0.0526744 0.7173589), wk = 0.0021786 k( 96) = ( -0.0508675 0.0438953 0.7173589), wk = 0.0021786 k( 97) = ( -0.0406940 0.0351162 0.7173589), wk = 0.0021786 k( 98) = ( -0.0305205 0.0263372 0.7173589), wk = 0.0021786 k( 99) = ( -0.0203470 0.0175581 0.7173589), wk = 0.0021786 k( 100) = ( -0.0101735 0.0087791 0.7173589), wk = 0.0021786 k( 101) = ( 0.0000000 0.0000000 0.7173589), wk = 0.0021786 k( 102) = ( 0.0000000 0.0000000 0.7173589), wk = 0.0021786 k( 103) = ( 0.0086207 0.0099900 0.7173589), wk = 0.0021786 k( 104) = ( 0.0172414 0.0199799 0.7173589), wk = 0.0021786 k( 105) = ( 0.0258621 0.0299699 0.7173589), wk = 0.0021786 k( 106) = ( 0.0344828 0.0399599 0.7173589), wk = 0.0021786 k( 107) = ( 0.0431035 0.0499498 0.7173589), wk = 0.0021786 k( 108) = ( 0.0517241 0.0599398 0.7173589), wk = 0.0021786 k( 109) = ( 0.0603448 0.0699298 0.7173589), wk = 0.0021786 k( 110) = ( 0.0689655 0.0799197 0.7173589), wk = 0.0021786 k( 111) = ( 0.0775862 0.0899097 0.7173589), wk = 0.0021786 k( 112) = ( 0.0862069 0.0998997 0.7173589), wk = 0.0021786 k( 113) = ( 0.0948276 0.1098896 0.7173589), wk = 0.0021786 k( 114) = ( 0.1034483 0.1198796 0.7173589), wk = 0.0021786 k( 115) = ( 0.1120690 0.1298696 0.7173589), wk = 0.0021786 k( 116) = ( 0.1206897 0.1398596 0.7173589), wk = 0.0021786 k( 117) = ( 0.1293103 0.1498495 0.7173589), wk = 0.0021786 k( 118) = ( 0.1379310 0.1598395 0.7173589), wk = 0.0021786 k( 119) = ( 0.1465517 0.1698294 0.7173589), wk = 0.0021786 k( 120) = ( 0.1551724 0.1798194 0.7173589), wk = 0.0021786 k( 121) = ( 0.1637931 0.1898094 0.7173589), wk = 0.0021786 k( 122) = ( 0.1724138 0.1997993 0.7173589), wk = 0.0021786 k( 123) = ( 0.1810345 0.2097893 0.7173589), wk = 0.0021786 k( 124) = ( 0.1896552 0.2197793 0.7173589), wk = 0.0021786 k( 125) = ( 0.1982759 0.2297693 0.7173589), wk = 0.0021786 k( 126) = ( 0.2068966 0.2397592 0.7173589), wk = 0.0021786 k( 127) = ( 0.2155172 0.2497492 0.7173589), wk = 0.0021786 k( 128) = ( 0.2241379 0.2597392 0.7173589), wk = 0.0021786 k( 129) = ( 0.2327586 0.2697291 0.7173589), wk = 0.0021786 k( 130) = ( 0.2413793 0.2797191 0.7173589), wk = 0.0021786 k( 131) = ( 0.2500000 0.2897091 0.7173589), wk = 0.0021786 k( 132) = ( 0.2500000 0.2897091 0.7173589), wk = 0.0021786 k( 133) = ( 0.2416667 0.2969002 0.7100707), wk = 0.0021786 k( 134) = ( 0.2333333 0.3040913 0.7027826), wk = 0.0021786 k( 135) = ( 0.2250000 0.3112824 0.6954945), wk = 0.0021786 k( 136) = ( 0.2166667 0.3184735 0.6882063), wk = 0.0021786 k( 137) = ( 0.2083333 0.3256647 0.6809182), wk = 0.0021786 k( 138) = ( 0.2000000 0.3328558 0.6736301), wk = 0.0021786 k( 139) = ( 0.1916667 0.3400469 0.6663419), wk = 0.0021786 k( 140) = ( 0.1833333 0.3472380 0.6590538), wk = 0.0021786 k( 141) = ( 0.1750000 0.3544292 0.6517657), wk = 0.0021786 k( 142) = ( 0.1666667 0.3616203 0.6444775), wk = 0.0021786 k( 143) = ( 0.1583333 0.3688114 0.6371894), wk = 0.0021786 k( 144) = ( 0.1500000 0.3760025 0.6299013), wk = 0.0021786 k( 145) = ( 0.1416667 0.3831937 0.6226131), wk = 0.0021786 k( 146) = ( 0.1333333 0.3903848 0.6153250), wk = 0.0021786 k( 147) = ( 0.1250000 0.3975759 0.6080369), wk = 0.0021786 k( 148) = ( 0.1166667 0.4047670 0.6007487), wk = 0.0021786 k( 149) = ( 0.1083333 0.4119581 0.5934606), wk = 0.0021786 k( 150) = ( 0.1000000 0.4191493 0.5861725), wk = 0.0021786 k( 151) = ( 0.0916667 0.4263404 0.5788843), wk = 0.0021786 k( 152) = ( 0.0833333 0.4335315 0.5715962), wk = 0.0021786 k( 153) = ( 0.0750000 0.4407226 0.5643081), wk = 0.0021786 k( 154) = ( 0.0666667 0.4479138 0.5570199), wk = 0.0021786 k( 155) = ( 0.0583333 0.4551049 0.5497318), wk = 0.0021786 k( 156) = ( 0.0500000 0.4622960 0.5424437), wk = 0.0021786 k( 157) = ( 0.0416667 0.4694871 0.5351555), wk = 0.0021786 k( 158) = ( 0.0333333 0.4766782 0.5278674), wk = 0.0021786 k( 159) = ( 0.0250000 0.4838694 0.5205793), wk = 0.0021786 k( 160) = ( 0.0166667 0.4910605 0.5132911), wk = 0.0021786 k( 161) = ( 0.0083333 0.4982516 0.5060030), wk = 0.0021786 k( 162) = ( 0.0000000 0.5054427 0.4987149), wk = 0.0021786 k( 163) = ( 0.0000000 0.5054427 0.4987149), wk = 0.0021786 k( 164) = ( 0.0103625 0.5113665 0.4927112), wk = 0.0021786 k( 165) = ( 0.0207250 0.5172903 0.4867075), wk = 0.0021786 k( 166) = ( 0.0310876 0.5232141 0.4807038), wk = 0.0021786 k( 167) = ( 0.0414501 0.5291379 0.4747001), wk = 0.0021786 k( 168) = ( 0.0518126 0.5350616 0.4686964), wk = 0.0021786 k( 169) = ( 0.0621751 0.5409854 0.4626927), wk = 0.0021786 k( 170) = ( 0.0725377 0.5469092 0.4566890), wk = 0.0021786 k( 171) = ( 0.0829002 0.5528330 0.4506853), wk = 0.0021786 k( 172) = ( 0.0932627 0.5587568 0.4446816), wk = 0.0021786 k( 173) = ( 0.1036252 0.5646805 0.4386779), wk = 0.0021786 k( 174) = ( 0.1139878 0.5706043 0.4326742), wk = 0.0021786 k( 175) = ( 0.1243503 0.5765281 0.4266705), wk = 0.0021786 k( 176) = ( 0.1347128 0.5824519 0.4206668), wk = 0.0021786 k( 177) = ( 0.1450753 0.5883757 0.4146631), wk = 0.0021786 k( 178) = ( 0.1554379 0.5942994 0.4086594), wk = 0.0021786 k( 179) = ( 0.1658004 0.6002232 0.4026557), wk = 0.0021786 k( 180) = ( 0.1761629 0.6061470 0.3966521), wk = 0.0021786 k( 181) = ( 0.1865254 0.6120708 0.3906484), wk = 0.0021786 k( 182) = ( 0.1968880 0.6179946 0.3846447), wk = 0.0021786 k( 183) = ( 0.2072505 0.6239184 0.3786410), wk = 0.0021786 k( 184) = ( 0.2176130 0.6298421 0.3726373), wk = 0.0021786 k( 185) = ( 0.2279755 0.6357659 0.3666336), wk = 0.0021786 k( 186) = ( 0.2383381 0.6416897 0.3606299), wk = 0.0021786 k( 187) = ( 0.2487006 0.6476135 0.3546262), wk = 0.0021786 k( 188) = ( 0.2590631 0.6535373 0.3486225), wk = 0.0021786 k( 189) = ( 0.2694256 0.6594610 0.3426188), wk = 0.0021786 k( 190) = ( 0.2797882 0.6653848 0.3366151), wk = 0.0021786 k( 191) = ( 0.2901507 0.6713086 0.3306114), wk = 0.0021786 k( 192) = ( 0.3005132 0.6772324 0.3246077), wk = 0.0021786 k( 193) = ( 0.3108757 0.6831562 0.3186040), wk = 0.0021786 k( 194) = ( 0.3212383 0.6890799 0.3126003), wk = 0.0021786 k( 195) = ( 0.3316008 0.6950037 0.3065966), wk = 0.0021786 k( 196) = ( 0.3419633 0.7009275 0.3005929), wk = 0.0021786 k( 197) = ( 0.3523258 0.7068513 0.2945892), wk = 0.0021786 k( 198) = ( 0.3523258 0.7068513 0.2945892), wk = 0.0021786 k( 199) = ( 0.3577952 0.7021315 0.2836785), wk = 0.0021786 k( 200) = ( 0.3632647 0.6974118 0.2727678), wk = 0.0021786 k( 201) = ( 0.3687341 0.6926920 0.2618571), wk = 0.0021786 k( 202) = ( 0.3742035 0.6879723 0.2509464), wk = 0.0021786 k( 203) = ( 0.3796729 0.6832526 0.2400357), wk = 0.0021786 k( 204) = ( 0.3851423 0.6785328 0.2291250), wk = 0.0021786 k( 205) = ( 0.3906117 0.6738131 0.2182142), wk = 0.0021786 k( 206) = ( 0.3960811 0.6690933 0.2073035), wk = 0.0021786 k( 207) = ( 0.4015506 0.6643736 0.1963928), wk = 0.0021786 k( 208) = ( 0.4070200 0.6596538 0.1854821), wk = 0.0021786 k( 209) = ( 0.4124894 0.6549341 0.1745714), wk = 0.0021786 k( 210) = ( 0.4179588 0.6502143 0.1636607), wk = 0.0021786 k( 211) = ( 0.4234282 0.6454946 0.1527500), wk = 0.0021786 k( 212) = ( 0.4288976 0.6407748 0.1418393), wk = 0.0021786 k( 213) = ( 0.4343670 0.6360551 0.1309286), wk = 0.0021786 k( 214) = ( 0.4398364 0.6313353 0.1200178), wk = 0.0021786 k( 215) = ( 0.4453059 0.6266156 0.1091071), wk = 0.0021786 k( 216) = ( 0.4507753 0.6218958 0.0981964), wk = 0.0021786 k( 217) = ( 0.4562447 0.6171761 0.0872857), wk = 0.0021786 k( 218) = ( 0.4617141 0.6124564 0.0763750), wk = 0.0021786 k( 219) = ( 0.4671835 0.6077366 0.0654643), wk = 0.0021786 k( 220) = ( 0.4726529 0.6030169 0.0545536), wk = 0.0021786 k( 221) = ( 0.4781223 0.5982971 0.0436429), wk = 0.0021786 k( 222) = ( 0.4835918 0.5935774 0.0327321), wk = 0.0021786 k( 223) = ( 0.4890612 0.5888576 0.0218214), wk = 0.0021786 k( 224) = ( 0.4945306 0.5841379 0.0109107), wk = 0.0021786 k( 225) = ( 0.5000000 0.5794181 -0.0000000), wk = 0.0021786 k( 226) = ( 0.5000000 0.5794181 -0.0000000), wk = 0.0021786 k( 227) = ( 0.4912281 0.5692529 -0.0000000), wk = 0.0021786 k( 228) = ( 0.4824561 0.5590877 -0.0000000), wk = 0.0021786 k( 229) = ( 0.4736842 0.5489224 -0.0000000), wk = 0.0021786 k( 230) = ( 0.4649123 0.5387572 -0.0000000), wk = 0.0021786 k( 231) = ( 0.4561404 0.5285920 -0.0000000), wk = 0.0021786 k( 232) = ( 0.4473684 0.5184267 -0.0000000), wk = 0.0021786 k( 233) = ( 0.4385965 0.5082615 -0.0000000), wk = 0.0021786 k( 234) = ( 0.4298246 0.4980963 -0.0000000), wk = 0.0021786 k( 235) = ( 0.4210526 0.4879310 -0.0000000), wk = 0.0021786 k( 236) = ( 0.4122807 0.4777658 -0.0000000), wk = 0.0021786 k( 237) = ( 0.4035088 0.4676006 -0.0000000), wk = 0.0021786 k( 238) = ( 0.3947368 0.4574354 -0.0000000), wk = 0.0021786 k( 239) = ( 0.3859649 0.4472701 -0.0000000), wk = 0.0021786 k( 240) = ( 0.3771930 0.4371049 -0.0000000), wk = 0.0021786 k( 241) = ( 0.3684211 0.4269397 -0.0000000), wk = 0.0021786 k( 242) = ( 0.3596491 0.4167744 -0.0000000), wk = 0.0021786 k( 243) = ( 0.3508772 0.4066092 -0.0000000), wk = 0.0021786 k( 244) = ( 0.3421053 0.3964440 -0.0000000), wk = 0.0021786 k( 245) = ( 0.3333333 0.3862787 -0.0000000), wk = 0.0021786 k( 246) = ( 0.3245614 0.3761135 -0.0000000), wk = 0.0021786 k( 247) = ( 0.3157895 0.3659483 -0.0000000), wk = 0.0021786 k( 248) = ( 0.3070175 0.3557831 -0.0000000), wk = 0.0021786 k( 249) = ( 0.2982456 0.3456178 -0.0000000), wk = 0.0021786 k( 250) = ( 0.2894737 0.3354526 -0.0000000), wk = 0.0021786 k( 251) = ( 0.2807018 0.3252874 -0.0000000), wk = 0.0021786 k( 252) = ( 0.2719298 0.3151221 -0.0000000), wk = 0.0021786 k( 253) = ( 0.2631579 0.3049569 -0.0000000), wk = 0.0021786 k( 254) = ( 0.2543860 0.2947917 -0.0000000), wk = 0.0021786 k( 255) = ( 0.2456140 0.2846265 -0.0000000), wk = 0.0021786 k( 256) = ( 0.2368421 0.2744612 -0.0000000), wk = 0.0021786 k( 257) = ( 0.2280702 0.2642960 -0.0000000), wk = 0.0021786 k( 258) = ( 0.2192983 0.2541308 -0.0000000), wk = 0.0021786 k( 259) = ( 0.2105263 0.2439655 -0.0000000), wk = 0.0021786 k( 260) = ( 0.2017544 0.2338003 -0.0000000), wk = 0.0021786 k( 261) = ( 0.1929825 0.2236351 -0.0000000), wk = 0.0021786 k( 262) = ( 0.1842105 0.2134698 -0.0000000), wk = 0.0021786 k( 263) = ( 0.1754386 0.2033046 -0.0000000), wk = 0.0021786 k( 264) = ( 0.1666667 0.1931394 -0.0000000), wk = 0.0021786 k( 265) = ( 0.1578947 0.1829741 -0.0000000), wk = 0.0021786 k( 266) = ( 0.1491228 0.1728089 -0.0000000), wk = 0.0021786 k( 267) = ( 0.1403509 0.1626437 -0.0000000), wk = 0.0021786 k( 268) = ( 0.1315790 0.1524785 -0.0000000), wk = 0.0021786 k( 269) = ( 0.1228070 0.1423132 -0.0000000), wk = 0.0021786 k( 270) = ( 0.1140351 0.1321480 -0.0000000), wk = 0.0021786 k( 271) = ( 0.1052632 0.1219828 -0.0000000), wk = 0.0021786 k( 272) = ( 0.0964912 0.1118175 -0.0000000), wk = 0.0021786 k( 273) = ( 0.0877193 0.1016523 -0.0000000), wk = 0.0021786 k( 274) = ( 0.0789474 0.0914871 -0.0000000), wk = 0.0021786 k( 275) = ( 0.0701754 0.0813218 -0.0000000), wk = 0.0021786 k( 276) = ( 0.0614035 0.0711566 -0.0000000), wk = 0.0021786 k( 277) = ( 0.0526316 0.0609914 -0.0000000), wk = 0.0021786 k( 278) = ( 0.0438597 0.0508262 -0.0000000), wk = 0.0021786 k( 279) = ( 0.0350877 0.0406609 -0.0000000), wk = 0.0021786 k( 280) = ( 0.0263158 0.0304957 -0.0000000), wk = 0.0021786 k( 281) = ( 0.0175439 0.0203305 -0.0000000), wk = 0.0021786 k( 282) = ( 0.0087719 0.0101652 -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) = ( 0.0084807 -0.0073183 0.0074170), wk = 0.0021786 k( 286) = ( 0.0169614 -0.0146366 0.0148340), wk = 0.0021786 k( 287) = ( 0.0254421 -0.0219549 0.0222510), wk = 0.0021786 k( 288) = ( 0.0339228 -0.0292731 0.0296680), wk = 0.0021786 k( 289) = ( 0.0424035 -0.0365914 0.0370851), wk = 0.0021786 k( 290) = ( 0.0508842 -0.0439097 0.0445021), wk = 0.0021786 k( 291) = ( 0.0593649 -0.0512280 0.0519191), wk = 0.0021786 k( 292) = ( 0.0678456 -0.0585463 0.0593361), wk = 0.0021786 k( 293) = ( 0.0763262 -0.0658646 0.0667531), wk = 0.0021786 k( 294) = ( 0.0848069 -0.0731829 0.0741701), wk = 0.0021786 k( 295) = ( 0.0932876 -0.0805011 0.0815871), wk = 0.0021786 k( 296) = ( 0.1017683 -0.0878194 0.0890041), wk = 0.0021786 k( 297) = ( 0.1102490 -0.0951377 0.0964212), wk = 0.0021786 k( 298) = ( 0.1187297 -0.1024560 0.1038382), wk = 0.0021786 k( 299) = ( 0.1272104 -0.1097743 0.1112552), wk = 0.0021786 k( 300) = ( 0.1356911 -0.1170926 0.1186722), wk = 0.0021786 k( 301) = ( 0.1441718 -0.1244108 0.1260892), wk = 0.0021786 k( 302) = ( 0.1526525 -0.1317291 0.1335062), wk = 0.0021786 k( 303) = ( 0.1611332 -0.1390474 0.1409232), wk = 0.0021786 k( 304) = ( 0.1696139 -0.1463657 0.1483402), wk = 0.0021786 k( 305) = ( 0.1780946 -0.1536840 0.1557572), wk = 0.0021786 k( 306) = ( 0.1865753 -0.1610023 0.1631743), wk = 0.0021786 k( 307) = ( 0.1950560 -0.1683205 0.1705913), wk = 0.0021786 k( 308) = ( 0.2035367 -0.1756388 0.1780083), wk = 0.0021786 k( 309) = ( 0.2120173 -0.1829571 0.1854253), wk = 0.0021786 k( 310) = ( 0.2204980 -0.1902754 0.1928423), wk = 0.0021786 k( 311) = ( 0.2289787 -0.1975937 0.2002593), wk = 0.0021786 k( 312) = ( 0.2374594 -0.2049120 0.2076763), wk = 0.0021786 k( 313) = ( 0.2459401 -0.2122303 0.2150933), wk = 0.0021786 k( 314) = ( 0.2544208 -0.2195485 0.2225103), wk = 0.0021786 k( 315) = ( 0.2629015 -0.2268668 0.2299274), wk = 0.0021786 k( 316) = ( 0.2713822 -0.2341851 0.2373444), wk = 0.0021786 k( 317) = ( 0.2798629 -0.2415034 0.2447614), wk = 0.0021786 k( 318) = ( 0.2883436 -0.2488217 0.2521784), wk = 0.0021786 k( 319) = ( 0.2968243 -0.2561400 0.2595954), wk = 0.0021786 k( 320) = ( 0.3053050 -0.2634583 0.2670124), wk = 0.0021786 k( 321) = ( 0.3137857 -0.2707765 0.2744294), wk = 0.0021786 k( 322) = ( 0.3222664 -0.2780948 0.2818464), wk = 0.0021786 k( 323) = ( 0.3307470 -0.2854131 0.2892634), wk = 0.0021786 k( 324) = ( 0.3392277 -0.2927314 0.2966805), wk = 0.0021786 k( 325) = ( 0.3477084 -0.3000497 0.3040975), wk = 0.0021786 k( 326) = ( 0.3561891 -0.3073680 0.3115145), wk = 0.0021786 k( 327) = ( 0.3646698 -0.3146862 0.3189315), wk = 0.0021786 k( 328) = ( 0.3731505 -0.3220045 0.3263485), wk = 0.0021786 k( 329) = ( 0.3816312 -0.3293228 0.3337655), wk = 0.0021786 k( 330) = ( 0.3901119 -0.3366411 0.3411825), wk = 0.0021786 k( 331) = ( 0.3985926 -0.3439594 0.3485995), wk = 0.0021786 k( 332) = ( 0.4070733 -0.3512777 0.3560165), wk = 0.0021786 k( 333) = ( 0.4155540 -0.3585960 0.3634336), wk = 0.0021786 k( 334) = ( 0.4240347 -0.3659142 0.3708506), wk = 0.0021786 k( 335) = ( 0.4325154 -0.3732325 0.3782676), wk = 0.0021786 k( 336) = ( 0.4409961 -0.3805508 0.3856846), wk = 0.0021786 k( 337) = ( 0.4494768 -0.3878691 0.3931016), wk = 0.0021786 k( 338) = ( 0.4579575 -0.3951874 0.4005186), wk = 0.0021786 k( 339) = ( 0.4664381 -0.4025057 0.4079356), wk = 0.0021786 k( 340) = ( 0.4749188 -0.4098239 0.4153526), wk = 0.0021786 k( 341) = ( 0.4833995 -0.4171422 0.4227697), wk = 0.0021786 k( 342) = ( 0.4833995 -0.4171422 0.4227697), wk = 0.0021786 k( 343) = ( 0.4838146 -0.4048643 0.4176665), wk = 0.0021786 k( 344) = ( 0.4842296 -0.3925864 0.4125634), wk = 0.0021786 k( 345) = ( 0.4846446 -0.3803084 0.4074602), wk = 0.0021786 k( 346) = ( 0.4850596 -0.3680305 0.4023571), wk = 0.0021786 k( 347) = ( 0.4854746 -0.3557525 0.3972539), wk = 0.0021786 k( 348) = ( 0.4858896 -0.3434746 0.3921508), wk = 0.0021786 k( 349) = ( 0.4863046 -0.3311966 0.3870477), wk = 0.0021786 k( 350) = ( 0.4867196 -0.3189187 0.3819445), wk = 0.0021786 k( 351) = ( 0.4871346 -0.3066408 0.3768414), wk = 0.0021786 k( 352) = ( 0.4875497 -0.2943628 0.3717382), wk = 0.0021786 k( 353) = ( 0.4879647 -0.2820849 0.3666351), wk = 0.0021786 k( 354) = ( 0.4883797 -0.2698069 0.3615320), wk = 0.0021786 k( 355) = ( 0.4887947 -0.2575290 0.3564288), wk = 0.0021786 k( 356) = ( 0.4892097 -0.2452511 0.3513257), wk = 0.0021786 k( 357) = ( 0.4896247 -0.2329731 0.3462225), wk = 0.0021786 k( 358) = ( 0.4900397 -0.2206952 0.3411194), wk = 0.0021786 k( 359) = ( 0.4904547 -0.2084172 0.3360162), wk = 0.0021786 k( 360) = ( 0.4908697 -0.1961393 0.3309131), wk = 0.0021786 k( 361) = ( 0.4912848 -0.1838614 0.3258100), wk = 0.0021786 k( 362) = ( 0.4916998 -0.1715834 0.3207068), wk = 0.0021786 k( 363) = ( 0.4921148 -0.1593055 0.3156037), wk = 0.0021786 k( 364) = ( 0.4925298 -0.1470275 0.3105005), wk = 0.0021786 k( 365) = ( 0.4929448 -0.1347496 0.3053974), wk = 0.0021786 k( 366) = ( 0.4933598 -0.1224717 0.3002943), wk = 0.0021786 k( 367) = ( 0.4937748 -0.1101937 0.2951911), wk = 0.0021786 k( 368) = ( 0.4941898 -0.0979158 0.2900880), wk = 0.0021786 k( 369) = ( 0.4946048 -0.0856378 0.2849848), wk = 0.0021786 k( 370) = ( 0.4950199 -0.0733599 0.2798817), wk = 0.0021786 k( 371) = ( 0.4954349 -0.0610820 0.2747786), wk = 0.0021786 k( 372) = ( 0.4958499 -0.0488040 0.2696754), wk = 0.0021786 k( 373) = ( 0.4962649 -0.0365261 0.2645723), wk = 0.0021786 k( 374) = ( 0.4966799 -0.0242481 0.2594691), wk = 0.0021786 k( 375) = ( 0.4970949 -0.0119702 0.2543660), wk = 0.0021786 k( 376) = ( 0.4975099 0.0003077 0.2492629), wk = 0.0021786 k( 377) = ( 0.4979249 0.0125857 0.2441597), wk = 0.0021786 k( 378) = ( 0.4983399 0.0248636 0.2390566), wk = 0.0021786 k( 379) = ( 0.4987550 0.0371416 0.2339534), wk = 0.0021786 k( 380) = ( 0.4991700 0.0494195 0.2288503), wk = 0.0021786 k( 381) = ( 0.4995850 0.0616974 0.2237472), wk = 0.0021786 k( 382) = ( 0.5000000 0.0739754 0.2186440), wk = 0.0021786 k( 383) = ( 0.5000000 0.0739754 0.2186440), wk = 0.0021786 k( 384) = ( 0.4944444 0.0787695 0.2297266), wk = 0.0021786 k( 385) = ( 0.4888889 0.0835635 0.2408091), wk = 0.0021786 k( 386) = ( 0.4833333 0.0883576 0.2518917), wk = 0.0021786 k( 387) = ( 0.4777778 0.0931517 0.2629742), wk = 0.0021786 k( 388) = ( 0.4722222 0.0979458 0.2740568), wk = 0.0021786 k( 389) = ( 0.4666667 0.1027399 0.2851393), wk = 0.0021786 k( 390) = ( 0.4611111 0.1075340 0.2962219), wk = 0.0021786 k( 391) = ( 0.4555556 0.1123280 0.3073044), wk = 0.0021786 k( 392) = ( 0.4500000 0.1171221 0.3183870), wk = 0.0021786 k( 393) = ( 0.4444444 0.1219162 0.3294695), wk = 0.0021786 k( 394) = ( 0.4388889 0.1267103 0.3405521), wk = 0.0021786 k( 395) = ( 0.4333333 0.1315044 0.3516346), wk = 0.0021786 k( 396) = ( 0.4277778 0.1362984 0.3627172), wk = 0.0021786 k( 397) = ( 0.4222222 0.1410925 0.3737997), wk = 0.0021786 k( 398) = ( 0.4166667 0.1458866 0.3848823), wk = 0.0021786 k( 399) = ( 0.4111111 0.1506807 0.3959649), wk = 0.0021786 k( 400) = ( 0.4055556 0.1554748 0.4070474), wk = 0.0021786 k( 401) = ( 0.4000000 0.1602689 0.4181300), wk = 0.0021786 k( 402) = ( 0.3944444 0.1650629 0.4292125), wk = 0.0021786 k( 403) = ( 0.3888889 0.1698570 0.4402951), wk = 0.0021786 k( 404) = ( 0.3833333 0.1746511 0.4513776), wk = 0.0021786 k( 405) = ( 0.3777778 0.1794452 0.4624602), wk = 0.0021786 k( 406) = ( 0.3722222 0.1842393 0.4735427), wk = 0.0021786 k( 407) = ( 0.3666667 0.1890333 0.4846253), wk = 0.0021786 k( 408) = ( 0.3611111 0.1938274 0.4957078), wk = 0.0021786 k( 409) = ( 0.3555556 0.1986215 0.5067904), wk = 0.0021786 k( 410) = ( 0.3500000 0.2034156 0.5178729), wk = 0.0021786 k( 411) = ( 0.3444444 0.2082097 0.5289555), wk = 0.0021786 k( 412) = ( 0.3388889 0.2130038 0.5400380), wk = 0.0021786 k( 413) = ( 0.3333333 0.2177978 0.5511206), wk = 0.0021786 k( 414) = ( 0.3277778 0.2225919 0.5622031), wk = 0.0021786 k( 415) = ( 0.3222222 0.2273860 0.5732857), wk = 0.0021786 k( 416) = ( 0.3166667 0.2321801 0.5843682), wk = 0.0021786 k( 417) = ( 0.3111111 0.2369742 0.5954508), wk = 0.0021786 k( 418) = ( 0.3055556 0.2417682 0.6065333), wk = 0.0021786 k( 419) = ( 0.3000000 0.2465623 0.6176159), wk = 0.0021786 k( 420) = ( 0.2944444 0.2513564 0.6286985), wk = 0.0021786 k( 421) = ( 0.2888889 0.2561505 0.6397810), wk = 0.0021786 k( 422) = ( 0.2833333 0.2609446 0.6508636), wk = 0.0021786 k( 423) = ( 0.2777778 0.2657387 0.6619461), wk = 0.0021786 k( 424) = ( 0.2722222 0.2705327 0.6730287), wk = 0.0021786 k( 425) = ( 0.2666667 0.2753268 0.6841112), wk = 0.0021786 k( 426) = ( 0.2611111 0.2801209 0.6951938), wk = 0.0021786 k( 427) = ( 0.2555556 0.2849150 0.7062763), wk = 0.0021786 k( 428) = ( 0.2500000 0.2897091 0.7173589), wk = 0.0021786 k( 429) = ( 0.3357254 -0.2897091 0.7173589), wk = 0.0021786 k( 430) = ( 0.3411948 -0.2944288 0.7064482), wk = 0.0021786 k( 431) = ( 0.3466642 -0.2991486 0.6955374), wk = 0.0021786 k( 432) = ( 0.3521336 -0.3038683 0.6846267), wk = 0.0021786 k( 433) = ( 0.3576030 -0.3085881 0.6737160), wk = 0.0021786 k( 434) = ( 0.3630724 -0.3133078 0.6628053), wk = 0.0021786 k( 435) = ( 0.3685418 -0.3180275 0.6518946), wk = 0.0021786 k( 436) = ( 0.3740113 -0.3227473 0.6409839), wk = 0.0021786 k( 437) = ( 0.3794807 -0.3274670 0.6300732), wk = 0.0021786 k( 438) = ( 0.3849501 -0.3321868 0.6191625), wk = 0.0021786 k( 439) = ( 0.3904195 -0.3369065 0.6082518), wk = 0.0021786 k( 440) = ( 0.3958889 -0.3416263 0.5973410), wk = 0.0021786 k( 441) = ( 0.4013583 -0.3463460 0.5864303), wk = 0.0021786 k( 442) = ( 0.4068277 -0.3510658 0.5755196), wk = 0.0021786 k( 443) = ( 0.4122972 -0.3557855 0.5646089), wk = 0.0021786 k( 444) = ( 0.4177666 -0.3605053 0.5536982), wk = 0.0021786 k( 445) = ( 0.4232360 -0.3652250 0.5427875), wk = 0.0021786 k( 446) = ( 0.4287054 -0.3699448 0.5318768), wk = 0.0021786 k( 447) = ( 0.4341748 -0.3746645 0.5209661), wk = 0.0021786 k( 448) = ( 0.4396442 -0.3793843 0.5100554), wk = 0.0021786 k( 449) = ( 0.4451136 -0.3841040 0.4991446), wk = 0.0021786 k( 450) = ( 0.4505830 -0.3888237 0.4882339), wk = 0.0021786 k( 451) = ( 0.4560525 -0.3935435 0.4773232), wk = 0.0021786 k( 452) = ( 0.4615219 -0.3982632 0.4664125), wk = 0.0021786 k( 453) = ( 0.4669913 -0.4029830 0.4555018), wk = 0.0021786 k( 454) = ( 0.4724607 -0.4077027 0.4445911), wk = 0.0021786 k( 455) = ( 0.4779301 -0.4124225 0.4336804), wk = 0.0021786 k( 456) = ( 0.4833995 -0.4171422 0.4227697), wk = 0.0021786 k( 457) = ( 0.5166005 0.5650930 0.0145184), wk = 0.0021786 k( 458) = ( 0.5083002 0.5722556 0.0072592), wk = 0.0021786 k( 459) = ( 0.5000000 0.5794181 -0.0000000), wk = 0.0021786 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 2) = ( -0.0055925 0.0055925 0.0055925), wk = 0.0021786 k( 3) = ( -0.0111850 0.0111850 0.0111849), wk = 0.0021786 k( 4) = ( -0.0167774 0.0167774 0.0167774), wk = 0.0021786 k( 5) = ( -0.0223699 0.0223699 0.0223699), wk = 0.0021786 k( 6) = ( -0.0279624 0.0279624 0.0279624), wk = 0.0021786 k( 7) = ( -0.0335548 0.0335548 0.0335548), wk = 0.0021786 k( 8) = ( -0.0391473 0.0391473 0.0391473), wk = 0.0021786 k( 9) = ( -0.0447398 0.0447398 0.0447398), wk = 0.0021786 k( 10) = ( -0.0503323 0.0503323 0.0503323), wk = 0.0021786 k( 11) = ( -0.0559247 0.0559247 0.0559247), wk = 0.0021786 k( 12) = ( -0.0615172 0.0615172 0.0615172), wk = 0.0021786 k( 13) = ( -0.0671097 0.0671097 0.0671097), wk = 0.0021786 k( 14) = ( -0.0727021 0.0727022 0.0727021), wk = 0.0021786 k( 15) = ( -0.0782946 0.0782946 0.0782946), wk = 0.0021786 k( 16) = ( -0.0838871 0.0838871 0.0838871), wk = 0.0021786 k( 17) = ( -0.0894796 0.0894796 0.0894796), wk = 0.0021786 k( 18) = ( -0.0950721 0.0950721 0.0950721), wk = 0.0021786 k( 19) = ( -0.1006645 0.1006645 0.1006645), wk = 0.0021786 k( 20) = ( -0.1062570 0.1062570 0.1062570), wk = 0.0021786 k( 21) = ( -0.1118495 0.1118495 0.1118495), wk = 0.0021786 k( 22) = ( -0.1174419 0.1174419 0.1174419), wk = 0.0021786 k( 23) = ( -0.1230344 0.1230344 0.1230344), wk = 0.0021786 k( 24) = ( -0.1286269 0.1286269 0.1286269), wk = 0.0021786 k( 25) = ( -0.1342194 0.1342194 0.1342194), wk = 0.0021786 k( 26) = ( -0.1398118 0.1398118 0.1398118), wk = 0.0021786 k( 27) = ( -0.1454043 0.1454043 0.1454043), wk = 0.0021786 k( 28) = ( -0.1509968 0.1509968 0.1509968), wk = 0.0021786 k( 29) = ( -0.1565893 0.1565893 0.1565893), wk = 0.0021786 k( 30) = ( -0.1621817 0.1621817 0.1621817), wk = 0.0021786 k( 31) = ( -0.1677742 0.1677742 0.1677742), wk = 0.0021786 k( 32) = ( -0.1733667 0.1733667 0.1733667), wk = 0.0021786 k( 33) = ( -0.1789592 0.1789592 0.1789592), wk = 0.0021786 k( 34) = ( -0.1845516 0.1845516 0.1845516), wk = 0.0021786 k( 35) = ( -0.1901441 0.1901441 0.1901441), wk = 0.0021786 k( 36) = ( -0.1957366 0.1957366 0.1957366), wk = 0.0021786 k( 37) = ( -0.2013290 0.2013290 0.2013290), wk = 0.0021786 k( 38) = ( -0.2069215 0.2069215 0.2069215), wk = 0.0021786 k( 39) = ( -0.2125140 0.2125140 0.2125140), wk = 0.0021786 k( 40) = ( -0.2181065 0.2181065 0.2181065), wk = 0.0021786 k( 41) = ( -0.2236989 0.2236989 0.2236989), wk = 0.0021786 k( 42) = ( -0.2292914 0.2292914 0.2292914), wk = 0.0021786 k( 43) = ( -0.2348839 0.2348839 0.2348839), wk = 0.0021786 k( 44) = ( -0.2404764 0.2404764 0.2404764), wk = 0.0021786 k( 45) = ( -0.2460688 0.2460688 0.2460688), wk = 0.0021786 k( 46) = ( -0.2516613 0.2516613 0.2516613), wk = 0.0021786 k( 47) = ( -0.2572538 0.2572538 0.2572538), wk = 0.0021786 k( 48) = ( -0.2628463 0.2628463 0.2628463), wk = 0.0021786 k( 49) = ( -0.2684387 0.2684387 0.2684387), wk = 0.0021786 k( 50) = ( -0.2740312 0.2740312 0.2740312), wk = 0.0021786 k( 51) = ( -0.2796237 0.2796237 0.2796237), wk = 0.0021786 k( 52) = ( -0.2852161 0.2852161 0.2852161), wk = 0.0021786 k( 53) = ( -0.2908086 0.2908086 0.2908086), wk = 0.0021786 k( 54) = ( -0.2964011 0.2964011 0.2964011), wk = 0.0021786 k( 55) = ( -0.3019936 0.3019936 0.3019936), wk = 0.0021786 k( 56) = ( -0.3075860 0.3075860 0.3075860), wk = 0.0021786 k( 57) = ( -0.3131785 0.3131785 0.3131785), wk = 0.0021786 k( 58) = ( -0.3187710 0.3187710 0.3187710), wk = 0.0021786 k( 59) = ( -0.3243635 0.3243635 0.3243635), wk = 0.0021786 k( 60) = ( -0.3299559 0.3299559 0.3299559), wk = 0.0021786 k( 61) = ( -0.3355484 0.3355484 0.3355484), wk = 0.0021786 k( 62) = ( -0.3411409 0.3411409 0.3411409), wk = 0.0021786 k( 63) = ( -0.3467333 0.3467334 0.3467333), wk = 0.0021786 k( 64) = ( -0.3523258 0.3523258 0.3523258), wk = 0.0021786 k( 65) = ( -0.3523258 0.3523258 0.3523258), wk = 0.0021786 k( 66) = ( -0.3440256 0.3440256 0.3606261), wk = 0.0021786 k( 67) = ( -0.3357254 0.3357254 0.3689263), wk = 0.0021786 k( 68) = ( -0.3357254 0.3357254 0.3689263), wk = 0.0021786 k( 69) = ( -0.3255519 0.3255519 0.3728982), wk = 0.0021786 k( 70) = ( -0.3153784 0.3153784 0.3768701), wk = 0.0021786 k( 71) = ( -0.3052049 0.3052049 0.3808421), wk = 0.0021786 k( 72) = ( -0.2950314 0.2950314 0.3848140), wk = 0.0021786 k( 73) = ( -0.2848579 0.2848579 0.3887859), wk = 0.0021786 k( 74) = ( -0.2746844 0.2746844 0.3927579), wk = 0.0021786 k( 75) = ( -0.2645109 0.2645109 0.3967298), wk = 0.0021786 k( 76) = ( -0.2543374 0.2543374 0.4007017), wk = 0.0021786 k( 77) = ( -0.2441639 0.2441639 0.4046737), wk = 0.0021786 k( 78) = ( -0.2339904 0.2339904 0.4086456), wk = 0.0021786 k( 79) = ( -0.2238169 0.2238169 0.4126175), wk = 0.0021786 k( 80) = ( -0.2136434 0.2136434 0.4165895), wk = 0.0021786 k( 81) = ( -0.2034699 0.2034699 0.4205614), wk = 0.0021786 k( 82) = ( -0.1932964 0.1932964 0.4245333), wk = 0.0021786 k( 83) = ( -0.1831229 0.1831229 0.4285053), wk = 0.0021786 k( 84) = ( -0.1729494 0.1729494 0.4324772), wk = 0.0021786 k( 85) = ( -0.1627759 0.1627759 0.4364491), wk = 0.0021786 k( 86) = ( -0.1526024 0.1526024 0.4404210), wk = 0.0021786 k( 87) = ( -0.1424289 0.1424289 0.4443930), wk = 0.0021786 k( 88) = ( -0.1322554 0.1322555 0.4483649), wk = 0.0021786 k( 89) = ( -0.1220819 0.1220820 0.4523368), wk = 0.0021786 k( 90) = ( -0.1119085 0.1119085 0.4563088), wk = 0.0021786 k( 91) = ( -0.1017350 0.1017350 0.4602807), wk = 0.0021786 k( 92) = ( -0.0915615 0.0915615 0.4642526), wk = 0.0021786 k( 93) = ( -0.0813880 0.0813880 0.4682246), wk = 0.0021786 k( 94) = ( -0.0712145 0.0712145 0.4721965), wk = 0.0021786 k( 95) = ( -0.0610410 0.0610410 0.4761684), wk = 0.0021786 k( 96) = ( -0.0508675 0.0508675 0.4801403), wk = 0.0021786 k( 97) = ( -0.0406940 0.0406940 0.4841123), wk = 0.0021786 k( 98) = ( -0.0305205 0.0305205 0.4880842), wk = 0.0021786 k( 99) = ( -0.0203470 0.0203470 0.4920561), wk = 0.0021786 k( 100) = ( -0.0101735 0.0101735 0.4960281), 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 0.2931034), 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) = ( 0.0103625 0.5043434 -0.0103625), wk = 0.0021786 k( 165) = ( 0.0207250 0.5086867 -0.0207251), wk = 0.0021786 k( 166) = ( 0.0310876 0.5130301 -0.0310876), wk = 0.0021786 k( 167) = ( 0.0414501 0.5173734 -0.0414501), wk = 0.0021786 k( 168) = ( 0.0518126 0.5217168 -0.0518126), wk = 0.0021786 k( 169) = ( 0.0621751 0.5260601 -0.0621752), wk = 0.0021786 k( 170) = ( 0.0725377 0.5304035 -0.0725377), wk = 0.0021786 k( 171) = ( 0.0829002 0.5347469 -0.0829002), wk = 0.0021786 k( 172) = ( 0.0932627 0.5390902 -0.0932627), wk = 0.0021786 k( 173) = ( 0.1036252 0.5434336 -0.1036252), wk = 0.0021786 k( 174) = ( 0.1139878 0.5477769 -0.1139878), wk = 0.0021786 k( 175) = ( 0.1243503 0.5521203 -0.1243503), wk = 0.0021786 k( 176) = ( 0.1347128 0.5564637 -0.1347128), wk = 0.0021786 k( 177) = ( 0.1450753 0.5608070 -0.1450753), wk = 0.0021786 k( 178) = ( 0.1554379 0.5651504 -0.1554379), wk = 0.0021786 k( 179) = ( 0.1658004 0.5694937 -0.1658004), wk = 0.0021786 k( 180) = ( 0.1761629 0.5738371 -0.1761629), wk = 0.0021786 k( 181) = ( 0.1865254 0.5781805 -0.1865254), wk = 0.0021786 k( 182) = ( 0.1968880 0.5825238 -0.1968880), wk = 0.0021786 k( 183) = ( 0.2072505 0.5868672 -0.2072505), wk = 0.0021786 k( 184) = ( 0.2176130 0.5912105 -0.2176130), wk = 0.0021786 k( 185) = ( 0.2279755 0.5955539 -0.2279755), wk = 0.0021786 k( 186) = ( 0.2383381 0.5998972 -0.2383381), wk = 0.0021786 k( 187) = ( 0.2487006 0.6042406 -0.2487006), wk = 0.0021786 k( 188) = ( 0.2590631 0.6085839 -0.2590631), wk = 0.0021786 k( 189) = ( 0.2694256 0.6129273 -0.2694256), wk = 0.0021786 k( 190) = ( 0.2797882 0.6172707 -0.2797882), wk = 0.0021786 k( 191) = ( 0.2901507 0.6216140 -0.2901507), wk = 0.0021786 k( 192) = ( 0.3005132 0.6259574 -0.3005132), wk = 0.0021786 k( 193) = ( 0.3108757 0.6303007 -0.3108757), wk = 0.0021786 k( 194) = ( 0.3212383 0.6346441 -0.3212383), wk = 0.0021786 k( 195) = ( 0.3316008 0.6389875 -0.3316008), wk = 0.0021786 k( 196) = ( 0.3419633 0.6433308 -0.3419633), wk = 0.0021786 k( 197) = ( 0.3523258 0.6476742 -0.3523258), wk = 0.0021786 k( 198) = ( 0.3523258 0.6476742 -0.3523258), wk = 0.0021786 k( 199) = ( 0.3577952 0.6422048 -0.3577952), wk = 0.0021786 k( 200) = ( 0.3632647 0.6367354 -0.3632646), wk = 0.0021786 k( 201) = ( 0.3687341 0.6312659 -0.3687341), wk = 0.0021786 k( 202) = ( 0.3742035 0.6257965 -0.3742035), wk = 0.0021786 k( 203) = ( 0.3796729 0.6203271 -0.3796729), wk = 0.0021786 k( 204) = ( 0.3851423 0.6148577 -0.3851423), wk = 0.0021786 k( 205) = ( 0.3906117 0.6093883 -0.3906117), wk = 0.0021786 k( 206) = ( 0.3960811 0.6039189 -0.3960811), wk = 0.0021786 k( 207) = ( 0.4015506 0.5984495 -0.4015506), wk = 0.0021786 k( 208) = ( 0.4070200 0.5929800 -0.4070200), wk = 0.0021786 k( 209) = ( 0.4124894 0.5875106 -0.4124894), wk = 0.0021786 k( 210) = ( 0.4179588 0.5820412 -0.4179588), wk = 0.0021786 k( 211) = ( 0.4234282 0.5765718 -0.4234282), wk = 0.0021786 k( 212) = ( 0.4288976 0.5711024 -0.4288976), wk = 0.0021786 k( 213) = ( 0.4343670 0.5656330 -0.4343670), wk = 0.0021786 k( 214) = ( 0.4398364 0.5601636 -0.4398364), wk = 0.0021786 k( 215) = ( 0.4453059 0.5546941 -0.4453059), wk = 0.0021786 k( 216) = ( 0.4507753 0.5492247 -0.4507753), wk = 0.0021786 k( 217) = ( 0.4562447 0.5437553 -0.4562447), wk = 0.0021786 k( 218) = ( 0.4617141 0.5382859 -0.4617141), wk = 0.0021786 k( 219) = ( 0.4671835 0.5328165 -0.4671835), wk = 0.0021786 k( 220) = ( 0.4726529 0.5273471 -0.4726529), wk = 0.0021786 k( 221) = ( 0.4781223 0.5218777 -0.4781223), wk = 0.0021786 k( 222) = ( 0.4835918 0.5164082 -0.4835918), wk = 0.0021786 k( 223) = ( 0.4890612 0.5109388 -0.4890612), wk = 0.0021786 k( 224) = ( 0.4945306 0.5054694 -0.4945306), 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 -0.2807017), 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 -0.0438596), 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) = ( 0.0084807 -0.0084807 0.0084807), wk = 0.0021786 k( 286) = ( 0.0169614 -0.0169614 0.0169614), wk = 0.0021786 k( 287) = ( 0.0254421 -0.0254421 0.0254421), wk = 0.0021786 k( 288) = ( 0.0339228 -0.0339228 0.0339228), wk = 0.0021786 k( 289) = ( 0.0424035 -0.0424035 0.0424035), wk = 0.0021786 k( 290) = ( 0.0508842 -0.0508842 0.0508842), wk = 0.0021786 k( 291) = ( 0.0593649 -0.0593649 0.0593649), wk = 0.0021786 k( 292) = ( 0.0678456 -0.0678456 0.0678456), wk = 0.0021786 k( 293) = ( 0.0763262 -0.0763262 0.0763262), wk = 0.0021786 k( 294) = ( 0.0848069 -0.0848069 0.0848069), wk = 0.0021786 k( 295) = ( 0.0932876 -0.0932876 0.0932876), wk = 0.0021786 k( 296) = ( 0.1017683 -0.1017683 0.1017683), wk = 0.0021786 k( 297) = ( 0.1102490 -0.1102490 0.1102490), wk = 0.0021786 k( 298) = ( 0.1187297 -0.1187297 0.1187297), wk = 0.0021786 k( 299) = ( 0.1272104 -0.1272104 0.1272104), wk = 0.0021786 k( 300) = ( 0.1356911 -0.1356911 0.1356911), wk = 0.0021786 k( 301) = ( 0.1441718 -0.1441718 0.1441718), wk = 0.0021786 k( 302) = ( 0.1526525 -0.1526525 0.1526525), wk = 0.0021786 k( 303) = ( 0.1611332 -0.1611332 0.1611332), wk = 0.0021786 k( 304) = ( 0.1696139 -0.1696139 0.1696139), wk = 0.0021786 k( 305) = ( 0.1780946 -0.1780946 0.1780946), wk = 0.0021786 k( 306) = ( 0.1865753 -0.1865753 0.1865753), wk = 0.0021786 k( 307) = ( 0.1950560 -0.1950560 0.1950560), wk = 0.0021786 k( 308) = ( 0.2035367 -0.2035367 0.2035367), wk = 0.0021786 k( 309) = ( 0.2120173 -0.2120173 0.2120173), wk = 0.0021786 k( 310) = ( 0.2204980 -0.2204980 0.2204980), wk = 0.0021786 k( 311) = ( 0.2289787 -0.2289787 0.2289787), wk = 0.0021786 k( 312) = ( 0.2374594 -0.2374594 0.2374594), wk = 0.0021786 k( 313) = ( 0.2459401 -0.2459401 0.2459401), wk = 0.0021786 k( 314) = ( 0.2544208 -0.2544208 0.2544208), wk = 0.0021786 k( 315) = ( 0.2629015 -0.2629015 0.2629015), wk = 0.0021786 k( 316) = ( 0.2713822 -0.2713822 0.2713822), wk = 0.0021786 k( 317) = ( 0.2798629 -0.2798629 0.2798629), wk = 0.0021786 k( 318) = ( 0.2883436 -0.2883436 0.2883436), wk = 0.0021786 k( 319) = ( 0.2968243 -0.2968243 0.2968243), wk = 0.0021786 k( 320) = ( 0.3053050 -0.3053050 0.3053050), wk = 0.0021786 k( 321) = ( 0.3137857 -0.3137857 0.3137857), wk = 0.0021786 k( 322) = ( 0.3222664 -0.3222664 0.3222664), wk = 0.0021786 k( 323) = ( 0.3307470 -0.3307470 0.3307470), wk = 0.0021786 k( 324) = ( 0.3392277 -0.3392277 0.3392277), wk = 0.0021786 k( 325) = ( 0.3477084 -0.3477084 0.3477084), wk = 0.0021786 k( 326) = ( 0.3561891 -0.3561891 0.3561891), wk = 0.0021786 k( 327) = ( 0.3646698 -0.3646698 0.3646698), wk = 0.0021786 k( 328) = ( 0.3731505 -0.3731505 0.3731505), wk = 0.0021786 k( 329) = ( 0.3816312 -0.3816312 0.3816312), wk = 0.0021786 k( 330) = ( 0.3901119 -0.3901119 0.3901119), wk = 0.0021786 k( 331) = ( 0.3985926 -0.3985926 0.3985926), wk = 0.0021786 k( 332) = ( 0.4070733 -0.4070733 0.4070733), wk = 0.0021786 k( 333) = ( 0.4155540 -0.4155540 0.4155540), wk = 0.0021786 k( 334) = ( 0.4240347 -0.4240347 0.4240347), wk = 0.0021786 k( 335) = ( 0.4325154 -0.4325154 0.4325154), wk = 0.0021786 k( 336) = ( 0.4409961 -0.4409961 0.4409961), wk = 0.0021786 k( 337) = ( 0.4494768 -0.4494768 0.4494768), wk = 0.0021786 k( 338) = ( 0.4579575 -0.4579575 0.4579575), wk = 0.0021786 k( 339) = ( 0.4664381 -0.4664382 0.4664381), wk = 0.0021786 k( 340) = ( 0.4749188 -0.4749188 0.4749188), wk = 0.0021786 k( 341) = ( 0.4833995 -0.4833995 0.4833995), wk = 0.0021786 k( 342) = ( 0.4833995 -0.4833995 0.4833995), wk = 0.0021786 k( 343) = ( 0.4838146 -0.4713146 0.4713145), wk = 0.0021786 k( 344) = ( 0.4842296 -0.4592296 0.4592296), wk = 0.0021786 k( 345) = ( 0.4846446 -0.4471446 0.4471446), wk = 0.0021786 k( 346) = ( 0.4850596 -0.4350596 0.4350596), wk = 0.0021786 k( 347) = ( 0.4854746 -0.4229746 0.4229746), wk = 0.0021786 k( 348) = ( 0.4858896 -0.4108896 0.4108896), wk = 0.0021786 k( 349) = ( 0.4863046 -0.3988046 0.3988046), wk = 0.0021786 k( 350) = ( 0.4867196 -0.3867196 0.3867196), wk = 0.0021786 k( 351) = ( 0.4871346 -0.3746346 0.3746346), wk = 0.0021786 k( 352) = ( 0.4875497 -0.3625497 0.3625497), wk = 0.0021786 k( 353) = ( 0.4879647 -0.3504647 0.3504647), wk = 0.0021786 k( 354) = ( 0.4883797 -0.3383797 0.3383797), wk = 0.0021786 k( 355) = ( 0.4887947 -0.3262947 0.3262947), wk = 0.0021786 k( 356) = ( 0.4892097 -0.3142097 0.3142097), wk = 0.0021786 k( 357) = ( 0.4896247 -0.3021247 0.3021247), wk = 0.0021786 k( 358) = ( 0.4900397 -0.2900397 0.2900397), wk = 0.0021786 k( 359) = ( 0.4904547 -0.2779547 0.2779547), wk = 0.0021786 k( 360) = ( 0.4908697 -0.2658697 0.2658697), wk = 0.0021786 k( 361) = ( 0.4912848 -0.2537848 0.2537848), wk = 0.0021786 k( 362) = ( 0.4916998 -0.2416998 0.2416998), wk = 0.0021786 k( 363) = ( 0.4921148 -0.2296148 0.2296148), wk = 0.0021786 k( 364) = ( 0.4925298 -0.2175298 0.2175298), wk = 0.0021786 k( 365) = ( 0.4929448 -0.2054448 0.2054448), wk = 0.0021786 k( 366) = ( 0.4933598 -0.1933598 0.1933598), wk = 0.0021786 k( 367) = ( 0.4937748 -0.1812748 0.1812748), wk = 0.0021786 k( 368) = ( 0.4941898 -0.1691898 0.1691898), wk = 0.0021786 k( 369) = ( 0.4946048 -0.1571048 0.1571048), wk = 0.0021786 k( 370) = ( 0.4950199 -0.1450199 0.1450199), wk = 0.0021786 k( 371) = ( 0.4954349 -0.1329349 0.1329349), wk = 0.0021786 k( 372) = ( 0.4958499 -0.1208499 0.1208499), wk = 0.0021786 k( 373) = ( 0.4962649 -0.1087649 0.1087649), wk = 0.0021786 k( 374) = ( 0.4966799 -0.0966799 0.0966799), wk = 0.0021786 k( 375) = ( 0.4970949 -0.0845949 0.0845949), wk = 0.0021786 k( 376) = ( 0.4975099 -0.0725099 0.0725099), wk = 0.0021786 k( 377) = ( 0.4979249 -0.0604249 0.0604249), wk = 0.0021786 k( 378) = ( 0.4983399 -0.0483400 0.0483399), wk = 0.0021786 k( 379) = ( 0.4987550 -0.0362550 0.0362550), wk = 0.0021786 k( 380) = ( 0.4991700 -0.0241700 0.0241700), wk = 0.0021786 k( 381) = ( 0.4995850 -0.0120850 0.0120850), 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) = ( 0.3357254 -0.3357254 0.6310737), wk = 0.0021786 k( 430) = ( 0.3411948 -0.3411948 0.6256043), wk = 0.0021786 k( 431) = ( 0.3466642 -0.3466642 0.6201349), wk = 0.0021786 k( 432) = ( 0.3521336 -0.3521336 0.6146655), wk = 0.0021786 k( 433) = ( 0.3576030 -0.3576030 0.6091961), wk = 0.0021786 k( 434) = ( 0.3630724 -0.3630724 0.6037266), wk = 0.0021786 k( 435) = ( 0.3685418 -0.3685418 0.5982572), wk = 0.0021786 k( 436) = ( 0.3740113 -0.3740113 0.5927878), wk = 0.0021786 k( 437) = ( 0.3794807 -0.3794807 0.5873184), wk = 0.0021786 k( 438) = ( 0.3849501 -0.3849501 0.5818490), wk = 0.0021786 k( 439) = ( 0.3904195 -0.3904195 0.5763796), wk = 0.0021786 k( 440) = ( 0.3958889 -0.3958889 0.5709102), wk = 0.0021786 k( 441) = ( 0.4013583 -0.4013583 0.5654407), wk = 0.0021786 k( 442) = ( 0.4068277 -0.4068277 0.5599713), wk = 0.0021786 k( 443) = ( 0.4122972 -0.4122972 0.5545019), wk = 0.0021786 k( 444) = ( 0.4177666 -0.4177666 0.5490325), wk = 0.0021786 k( 445) = ( 0.4232360 -0.4232360 0.5435631), wk = 0.0021786 k( 446) = ( 0.4287054 -0.4287054 0.5380937), wk = 0.0021786 k( 447) = ( 0.4341748 -0.4341748 0.5326243), wk = 0.0021786 k( 448) = ( 0.4396442 -0.4396442 0.5271548), wk = 0.0021786 k( 449) = ( 0.4451136 -0.4451136 0.5216854), wk = 0.0021786 k( 450) = ( 0.4505830 -0.4505831 0.5162160), wk = 0.0021786 k( 451) = ( 0.4560525 -0.4560525 0.5107466), wk = 0.0021786 k( 452) = ( 0.4615219 -0.4615219 0.5052772), wk = 0.0021786 k( 453) = ( 0.4669913 -0.4669913 0.4998078), wk = 0.0021786 k( 454) = ( 0.4724607 -0.4724607 0.4943384), wk = 0.0021786 k( 455) = ( 0.4779301 -0.4779301 0.4888689), wk = 0.0021786 k( 456) = ( 0.4833995 -0.4833995 0.4833995), wk = 0.0021786 k( 457) = ( 0.5166005 0.4833995 -0.4833995), wk = 0.0021786 k( 458) = ( 0.5083002 0.4916998 -0.4916998), wk = 0.0021786 k( 459) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 Dense grid: 35541 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 26713 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 146, 34) NL pseudopotentials 0.06 Mb ( 73, 56) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 740) G-vector shells 0.01 Mb ( 705) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 146, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.06 Mb ( 56, 2, 34) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./NaNO2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.2 secs Computing kpt #: 2 total cpu time spent up to now is 41.3 secs Computing kpt #: 3 total cpu time spent up to now is 42.3 secs Computing kpt #: 4 total cpu time spent up to now is 43.3 secs Computing kpt #: 5 total cpu time spent up to now is 44.3 secs Computing kpt #: 6 total cpu time spent up to now is 45.7 secs Computing kpt #: 7 total cpu time spent up to now is 46.9 secs Computing kpt #: 8 total cpu time spent up to now is 47.8 secs Computing kpt #: 9 total cpu time spent up to now is 48.9 secs Computing kpt #: 10 total cpu time spent up to now is 50.0 secs Computing kpt #: 11 total cpu time spent up to now is 51.1 secs Computing kpt #: 12 total cpu time spent up to now is 52.1 secs Computing kpt #: 13 total cpu time spent up to now is 53.2 secs Computing kpt #: 14 total cpu time spent up to now is 54.4 secs Computing kpt #: 15 total cpu time spent up to now is 55.7 secs Computing kpt #: 16 total cpu time spent up to now is 56.9 secs Computing kpt #: 17 total cpu time spent up to now is 58.2 secs Computing kpt #: 18 total cpu time spent up to now is 59.2 secs Computing kpt #: 19 total cpu time spent up to now is 60.5 secs Computing kpt #: 20 total cpu time spent up to now is 61.7 secs Computing kpt #: 21 total cpu time spent up to now is 63.2 secs Computing kpt #: 22 total cpu time spent up to now is 64.4 secs Computing kpt #: 23 total cpu time spent up to now is 65.4 secs Computing kpt #: 24 total cpu time spent up to now is 66.3 secs Computing kpt #: 25 total cpu time spent up to now is 67.1 secs Computing kpt #: 26 total cpu time spent up to now is 68.1 secs Computing kpt #: 27 total cpu time spent up to now is 69.1 secs Computing kpt #: 28 total cpu time spent up to now is 70.0 secs Computing kpt #: 29 total cpu time spent up to now is 70.9 secs Computing kpt #: 30 total cpu time spent up to now is 71.8 secs Computing kpt #: 31 total cpu time spent up to now is 72.7 secs Computing kpt #: 32 total cpu time spent up to now is 73.5 secs Computing kpt #: 33 total cpu time spent up to now is 74.3 secs Computing kpt #: 34 total cpu time spent up to now is 75.2 secs Computing kpt #: 35 total cpu time spent up to now is 76.1 secs Computing kpt #: 36 total cpu time spent up to now is 76.9 secs Computing kpt #: 37 total cpu time spent up to now is 77.5 secs Computing kpt #: 38 total cpu time spent up to now is 78.4 secs Computing kpt #: 39 total cpu time spent up to now is 79.1 secs Computing kpt #: 40 total cpu time spent up to now is 79.8 secs Computing kpt #: 41 total cpu time spent up to now is 80.5 secs Computing kpt #: 42 total cpu time spent up to now is 81.2 secs Computing kpt #: 43 total cpu time spent up to now is 81.9 secs Computing kpt #: 44 total cpu time spent up to now is 82.7 secs Computing kpt #: 45 total cpu time spent up to now is 83.4 secs Computing kpt #: 46 total cpu time spent up to now is 84.1 secs Computing kpt #: 47 total cpu time spent up to now is 84.7 secs Computing kpt #: 48 total cpu time spent up to now is 85.5 secs Computing kpt #: 49 total cpu time spent up to now is 86.2 secs Computing kpt #: 50 total cpu time spent up to now is 87.0 secs Computing kpt #: 51 total cpu time spent up to now is 87.9 secs Computing kpt #: 52 total cpu time spent up to now is 88.8 secs Computing kpt #: 53 total cpu time spent up to now is 89.7 secs Computing kpt #: 54 total cpu time spent up to now is 90.6 secs Computing kpt #: 55 total cpu time spent up to now is 91.4 secs Computing kpt #: 56 total cpu time spent up to now is 92.3 secs Computing kpt #: 57 total cpu time spent up to now is 93.2 secs Computing kpt #: 58 total cpu time spent up to now is 94.0 secs Computing kpt #: 59 total cpu time spent up to now is 94.9 secs Computing kpt #: 60 total cpu time spent up to now is 95.7 secs Computing kpt #: 61 total cpu time spent up to now is 96.6 secs Computing kpt #: 62 total cpu time spent up to now is 97.5 secs Computing kpt #: 63 total cpu time spent up to now is 98.3 secs Computing kpt #: 64 total cpu time spent up to now is 99.3 secs Computing kpt #: 65 total cpu time spent up to now is 100.3 secs Computing kpt #: 66 total cpu time spent up to now is 101.3 secs Computing kpt #: 67 total cpu time spent up to now is 102.2 secs Computing kpt #: 68 total cpu time spent up to now is 103.0 secs Computing kpt #: 69 total cpu time spent up to now is 103.8 secs Computing kpt #: 70 total cpu time spent up to now is 104.8 secs Computing kpt #: 71 total cpu time spent up to now is 105.7 secs Computing kpt #: 72 total cpu time spent up to now is 106.5 secs Computing kpt #: 73 total cpu time spent up to now is 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total cpu time spent up to now is 189.6 secs Computing kpt #: 181 total cpu time spent up to now is 190.4 secs Computing kpt #: 182 total cpu time spent up to now is 191.1 secs Computing kpt #: 183 total cpu time spent up to now is 192.0 secs Computing kpt #: 184 total cpu time spent up to now is 192.9 secs Computing kpt #: 185 total cpu time spent up to now is 193.7 secs Computing kpt #: 186 total cpu time spent up to now is 194.6 secs Computing kpt #: 187 total cpu time spent up to now is 195.6 secs Computing kpt #: 188 total cpu time spent up to now is 196.4 secs Computing kpt #: 189 total cpu time spent up to now is 197.3 secs Computing kpt #: 190 total cpu time spent up to now is 198.2 secs Computing kpt #: 191 total cpu time spent up to now is 199.1 secs Computing kpt #: 192 total cpu time spent up to now is 200.0 secs Computing kpt #: 193 total cpu time spent up to now is 201.0 secs Computing kpt #: 194 total cpu time spent up to now is 201.8 secs Computing kpt #: 195 total cpu 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secs Computing kpt #: 241 total cpu time spent up to now is 235.0 secs Computing kpt #: 242 total cpu time spent up to now is 235.6 secs Computing kpt #: 243 total cpu time spent up to now is 236.2 secs Computing kpt #: 244 total cpu time spent up to now is 236.9 secs Computing kpt #: 245 total cpu time spent up to now is 237.5 secs Computing kpt #: 246 total cpu time spent up to now is 238.2 secs Computing kpt #: 247 total cpu time spent up to now is 238.9 secs Computing kpt #: 248 total cpu time spent up to now is 239.5 secs Computing kpt #: 249 total cpu time spent up to now is 240.1 secs Computing kpt #: 250 total cpu time spent up to now is 240.7 secs Computing kpt #: 251 total cpu time spent up to now is 241.3 secs Computing kpt #: 252 total cpu time spent up to now is 241.9 secs Computing kpt #: 253 total cpu time spent up to now is 242.6 secs Computing kpt #: 254 total cpu time spent up to now is 243.3 secs Computing kpt #: 255 total cpu time spent up to now is 244.0 secs 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Computing kpt #: 362 total cpu time spent up to now is 333.6 secs Computing kpt #: 363 total cpu time spent up to now is 334.3 secs Computing kpt #: 364 total cpu time spent up to now is 335.1 secs Computing kpt #: 365 total cpu time spent up to now is 336.0 secs Computing kpt #: 366 total cpu time spent up to now is 336.6 secs Computing kpt #: 367 total cpu time spent up to now is 337.4 secs Computing kpt #: 368 total cpu time spent up to now is 338.0 secs Computing kpt #: 369 total cpu time spent up to now is 338.7 secs Computing kpt #: 370 total cpu time spent up to now is 339.5 secs Computing kpt #: 371 total cpu time spent up to now is 340.2 secs Computing kpt #: 372 total cpu time spent up to now is 340.9 secs Computing kpt #: 373 total cpu time spent up to now is 341.5 secs Computing kpt #: 374 total cpu time spent up to now is 342.2 secs Computing kpt #: 375 total cpu time spent up to now is 342.9 secs Computing kpt #: 376 total cpu time spent up to now is 343.5 secs Computing kpt #: 377 total cpu time spent up to now is 344.1 secs Computing kpt #: 378 total cpu time spent up to now is 344.8 secs Computing kpt #: 379 total cpu time spent up to now is 345.5 secs Computing kpt #: 380 total cpu time spent up to now is 346.2 secs Computing kpt #: 381 total cpu time spent up to now is 346.8 secs Computing kpt #: 382 total cpu time spent up to now is 347.5 secs Computing kpt #: 383 total cpu time spent up to now is 348.2 secs Computing kpt #: 384 total cpu time spent up to now is 348.8 secs Computing kpt #: 385 total cpu time spent up to now is 349.5 secs Computing kpt #: 386 total cpu time spent up to now is 350.2 secs Computing kpt #: 387 total cpu time spent up to now is 350.9 secs Computing kpt #: 388 total cpu time spent up to now is 351.7 secs Computing kpt #: 389 total cpu time spent up to now is 352.4 secs Computing kpt #: 390 total cpu time spent up to now is 353.1 secs Computing kpt #: 391 total cpu time spent up to now is 353.7 secs Computing kpt #: 392 total cpu time spent up to now is 354.5 secs Computing kpt #: 393 total cpu time spent up to now is 355.2 secs Computing kpt #: 394 total cpu time spent up to now is 355.8 secs Computing kpt #: 395 total cpu time spent up to now is 356.6 secs Computing kpt #: 396 total cpu time spent up to now is 357.7 secs Computing kpt #: 397 total cpu time spent up to now is 358.5 secs Computing kpt #: 398 total cpu time spent up to now is 359.4 secs Computing kpt #: 399 total cpu time spent up to now is 360.1 secs Computing kpt #: 400 total cpu time spent up to now is 360.9 secs Computing kpt #: 401 total cpu time spent up to now is 361.6 secs Computing kpt #: 402 total cpu time spent up to now is 362.5 secs Computing kpt #: 403 total cpu time spent up to now is 363.5 secs Computing kpt #: 404 total cpu time spent up to now is 364.5 secs Computing kpt #: 405 total cpu time spent up to now is 365.4 secs Computing kpt #: 406 total cpu time spent up to now is 366.3 secs Computing kpt #: 407 total cpu time spent up to now is 367.2 secs Computing kpt #: 408 total cpu time spent up to now is 368.2 secs Computing kpt #: 409 total cpu time spent up to now is 369.2 secs Computing kpt #: 410 total cpu time spent up to now is 370.2 secs Computing kpt #: 411 total cpu time spent up to now is 371.2 secs Computing kpt #: 412 total cpu time spent up to now is 372.2 secs Computing kpt #: 413 total cpu time spent up to now is 373.0 secs Computing kpt #: 414 total cpu time spent up to now is 373.9 secs Computing kpt #: 415 total cpu time spent up to now is 374.7 secs Computing kpt #: 416 total cpu time spent up to now is 375.6 secs Computing kpt #: 417 total cpu time spent up to now is 376.5 secs Computing kpt #: 418 total cpu time spent up to now is 377.2 secs Computing kpt #: 419 total cpu time spent up to now is 378.1 secs Computing kpt #: 420 total cpu time spent up to now is 378.8 secs Computing kpt #: 421 total cpu time spent up to now is 379.4 secs Computing kpt #: 422 total cpu time spent up to now is 380.1 secs Computing kpt #: 423 total cpu time spent up to now is 380.9 secs Computing kpt #: 424 total cpu time spent up to now is 381.8 secs Computing kpt #: 425 total cpu time spent up to now is 382.4 secs Computing kpt #: 426 total cpu time spent up to now is 383.0 secs Computing kpt #: 427 total cpu time spent up to now is 383.7 secs Computing kpt #: 428 total cpu time spent up to now is 384.3 secs Computing kpt #: 429 total cpu time spent up to now is 385.2 secs Computing kpt #: 430 total cpu time spent up to now is 386.1 secs Computing kpt #: 431 total cpu time spent up to now is 387.0 secs Computing kpt #: 432 total cpu time spent up to now is 387.8 secs Computing kpt #: 433 total cpu time spent up to now is 388.7 secs Computing kpt #: 434 total cpu time spent up to now is 389.7 secs Computing kpt #: 435 total cpu time spent up to now is 390.5 secs Computing kpt #: 436 total cpu time spent up to now is 391.3 secs Computing kpt #: 437 total cpu time spent up to now is 392.2 secs Computing kpt #: 438 total cpu time spent up to now is 392.9 secs Computing kpt #: 439 total cpu time spent up to now is 393.8 secs Computing kpt #: 440 total cpu time spent up to now is 394.5 secs Computing kpt #: 441 total cpu time spent up to now is 395.2 secs Computing kpt #: 442 total cpu time spent up to now is 395.9 secs Computing kpt #: 443 total cpu time spent up to now is 396.6 secs Computing kpt #: 444 total cpu time spent up to now is 397.3 secs Computing kpt #: 445 total cpu time spent up to now is 397.9 secs Computing kpt #: 446 total cpu time spent up to now is 398.6 secs Computing kpt #: 447 total cpu time spent up to now is 399.3 secs Computing kpt #: 448 total cpu time spent up to now is 400.0 secs Computing kpt #: 449 total cpu time spent up to now is 400.8 secs Computing kpt #: 450 total cpu time spent up to now is 401.4 secs Computing kpt #: 451 total cpu time spent up to now is 402.1 secs Computing kpt #: 452 total cpu time spent up to now is 402.7 secs Computing kpt #: 453 total cpu time spent up to now is 403.3 secs Computing kpt #: 454 total cpu time spent up to now is 404.0 secs Computing kpt #: 455 total cpu time spent up to now is 404.7 secs Computing kpt #: 456 total cpu time spent up to now is 405.3 secs Computing kpt #: 457 total cpu time spent up to now is 406.0 secs Computing kpt #: 458 total cpu time spent up to now is 406.7 secs Computing kpt #: 459 total cpu time spent up to now is 407.3 secs ethr = 3.85E-11, avg # of iterations = 28.3 total cpu time spent up to now is 407.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3345 PWs) bands (ev): -47.5324 -47.5324 -22.3673 -22.3673 -19.5837 -19.5837 -19.4160 -19.4160 -19.3890 -19.3890 -17.6367 -17.6367 -7.6968 -7.6968 -4.6772 -4.6772 -4.2170 -4.2170 -3.9974 -3.9974 -0.0311 -0.0311 0.7889 0.7889 1.5538 1.5538 4.9843 4.9843 8.0935 8.0935 12.6542 12.6542 14.1631 14.1631 k =-0.0056 0.0048 0.0112 ( 3339 PWs) bands (ev): -47.5324 -47.5324 -22.3672 -22.3672 -19.5838 -19.5836 -19.4161 -19.4159 -19.3891 -19.3888 -17.6368 -17.6368 -7.6967 -7.6967 -4.6770 -4.6770 -4.2183 -4.2170 -3.9982 -3.9967 -0.0316 -0.0315 0.7890 0.7891 1.5542 1.5543 4.9835 4.9836 8.0952 8.0954 12.6541 12.6542 14.1651 14.1651 k =-0.0112 0.0097 0.0223 ( 3343 PWs) bands (ev): -47.5324 -47.5324 -22.3670 -22.3670 -19.5839 -19.5835 -19.4161 -19.4158 -19.3894 -19.3887 -17.6369 -17.6369 -7.6966 -7.6966 -4.6766 -4.6766 -4.2210 -4.2184 -3.9990 -3.9961 -0.0330 -0.0329 0.7894 0.7896 1.5554 1.5556 4.9812 4.9814 8.1005 8.1008 12.6538 12.6539 14.1711 14.1712 k =-0.0168 0.0145 0.0335 ( 3351 PWs) bands (ev): -47.5324 -47.5324 -22.3668 -22.3667 -19.5840 -19.5834 -19.4162 -19.4157 -19.3897 -19.3886 -17.6371 -17.6371 -7.6965 -7.6965 -4.6758 -4.6758 -4.2251 -4.2211 -3.9999 -3.9957 -0.0355 -0.0353 0.7902 0.7904 1.5574 1.5578 4.9774 4.9777 8.1093 8.1097 12.6534 12.6535 14.1811 14.1811 k =-0.0224 0.0193 0.0446 ( 3347 PWs) bands (ev): -47.5324 -47.5324 -22.3664 -22.3664 -19.5840 -19.5832 -19.4162 -19.4156 -19.3899 -19.3885 -17.6374 -17.6374 -7.6963 -7.6962 -4.6748 -4.6748 -4.2304 -4.2252 -4.0008 -3.9953 -0.0388 -0.0386 0.7913 0.7916 1.5603 1.5607 4.9722 4.9727 8.1216 8.1222 12.6528 12.6529 14.1950 14.1950 k =-0.0280 0.0241 0.0558 ( 3347 PWs) bands (ev): -47.5324 -47.5324 -22.3659 -22.3658 -19.5841 -19.5831 -19.4162 -19.4154 -19.3902 -19.3884 -17.6378 -17.6378 -7.6960 -7.6960 -4.6734 -4.6734 -4.2370 -4.2307 -4.0017 -3.9950 -0.0431 -0.0428 0.7927 0.7931 1.5640 1.5645 4.9656 4.9662 8.1373 8.1381 12.6519 12.6521 14.2126 14.2127 k =-0.0336 0.0290 0.0669 ( 3347 PWs) bands (ev): -47.5324 -47.5324 -22.3653 -22.3652 -19.5841 -19.5829 -19.4161 -19.4152 -19.3905 -19.3884 -17.6382 -17.6382 -7.6957 -7.6956 -4.6718 -4.6718 -4.2449 -4.2377 -4.0025 -3.9948 -0.0482 -0.0478 0.7944 0.7949 1.5685 1.5691 4.9577 4.9584 8.1565 8.1574 12.6508 12.6511 14.2340 14.2341 k =-0.0391 0.0338 0.0781 ( 3343 PWs) bands (ev): -47.5324 -47.5324 -22.3646 -22.3645 -19.5841 -19.5827 -19.4161 -19.4150 -19.3908 -19.3884 -17.6388 -17.6388 -7.6953 -7.6953 -4.6699 -4.6699 -4.2540 -4.2460 -4.0033 -3.9945 -0.0541 -0.0537 0.7964 0.7970 1.5737 1.5744 4.9485 4.9493 8.1791 8.1801 12.6494 12.6498 14.2589 14.2589 k =-0.0447 0.0386 0.0892 ( 3347 PWs) bands (ev): -47.5323 -47.5323 -22.3637 -22.3637 -19.5842 -19.5826 -19.4160 -19.4148 -19.3912 -19.3884 -17.6394 -17.6394 -7.6949 -7.6949 -4.6677 -4.6677 -4.2645 -4.2557 -4.0038 -3.9943 -0.0609 -0.0605 0.7988 0.7994 1.5796 1.5804 4.9381 4.9390 8.2050 8.2061 12.6478 12.6481 14.2870 14.2870 k =-0.0503 0.0434 0.1004 ( 3343 PWs) bands (ev): -47.5323 -47.5323 -22.3628 -22.3628 -19.5842 -19.5824 -19.4159 -19.4146 -19.3915 -19.3884 -17.6401 -17.6401 -7.6945 -7.6944 -4.6652 -4.6652 -4.2761 -4.2667 -4.0042 -3.9940 -0.0684 -0.0679 0.8015 0.8022 1.5862 1.5871 4.9266 4.9275 8.2341 8.2354 12.6457 12.6461 14.3180 14.3181 k =-0.0559 0.0483 0.1116 ( 3347 PWs) bands (ev): -47.5323 -47.5323 -22.3618 -22.3617 -19.5842 -19.5822 -19.4158 -19.4144 -19.3919 -19.3885 -17.6409 -17.6408 -7.6940 -7.6940 -4.6625 -4.6625 -4.2888 -4.2790 -4.0044 -3.9937 -0.0767 -0.0762 0.8044 0.8052 1.5934 1.5944 4.9140 4.9150 8.2664 8.2678 12.6433 12.6437 14.3516 14.3516 k =-0.0615 0.0531 0.1227 ( 3347 PWs) bands (ev): -47.5322 -47.5322 -22.3607 -22.3606 -19.5842 -19.5820 -19.4157 -19.4141 -19.3923 -19.3886 -17.6417 -17.6417 -7.6936 -7.6935 -4.6595 -4.6594 -4.3027 -4.2926 -4.0045 -3.9933 -0.0856 -0.0850 0.8077 0.8085 1.6012 1.6023 4.9005 4.9016 8.3018 8.3032 12.6404 12.6409 14.3869 14.3870 k =-0.0671 0.0579 0.1339 ( 3347 PWs) bands (ev): -47.5322 -47.5322 -22.3595 -22.3594 -19.5842 -19.5818 -19.4156 -19.4139 -19.3927 -19.3887 -17.6426 -17.6426 -7.6931 -7.6930 -4.6562 -4.6562 -4.3176 -4.3073 -4.0043 -3.9929 -0.0952 -0.0946 0.8113 0.8122 1.6096 1.6107 4.8862 4.8873 8.3401 8.3416 12.6370 12.6375 14.4230 14.4231 k =-0.0727 0.0627 0.1450 ( 3343 PWs) bands (ev): -47.5322 -47.5322 -22.3582 -22.3581 -19.5842 -19.5816 -19.4154 -19.4136 -19.3931 -19.3888 -17.6436 -17.6436 -7.6926 -7.6926 -4.6527 -4.6527 -4.3335 -4.3230 -4.0040 -3.9923 -0.1053 -0.1046 0.8152 0.8162 1.6184 1.6196 4.8711 4.8723 8.3813 8.3829 12.6330 12.6336 14.4585 14.4586 k =-0.0783 0.0676 0.1562 ( 3343 PWs) bands (ev): -47.5321 -47.5321 -22.3568 -22.3567 -19.5843 -19.5814 -19.4152 -19.4134 -19.3935 -19.3889 -17.6446 -17.6446 -7.6922 -7.6921 -4.6490 -4.6489 -4.3503 -4.3398 -4.0034 -3.9917 -0.1158 -0.1151 0.8194 0.8204 1.6276 1.6289 4.8553 4.8566 8.4253 8.4270 12.6284 12.6290 14.4911 14.4911 k =-0.0839 0.0724 0.1673 ( 3339 PWs) bands (ev): -47.5321 -47.5321 -22.3554 -22.3553 -19.5843 -19.5812 -19.4151 -19.4131 -19.3939 -19.3890 -17.6457 -17.6457 -7.6918 -7.6917 -4.6450 -4.6450 -4.3678 -4.3573 -4.0027 -3.9910 -0.1269 -0.1261 0.8238 0.8249 1.6373 1.6386 4.8391 4.8405 8.4721 8.4738 12.6232 12.6238 14.5171 14.5171 k =-0.0895 0.0772 0.1785 ( 3337 PWs) bands (ev): -47.5320 -47.5320 -22.3539 -22.3538 -19.5843 -19.5810 -19.4149 -19.4129 -19.3942 -19.3891 -17.6468 -17.6468 -7.6914 -7.6914 -4.6408 -4.6408 -4.3861 -4.3757 -4.0019 -3.9901 -0.1383 -0.1374 0.8286 0.8297 1.6473 1.6486 4.8225 4.8239 8.5213 8.5231 12.6172 12.6179 14.5315 14.5315 k =-0.0951 0.0820 0.1897 ( 3337 PWs) bands (ev): -47.5320 -47.5320 -22.3523 -22.3522 -19.5843 -19.5809 -19.4147 -19.4128 -19.3946 -19.3893 -17.6481 -17.6481 -7.6911 -7.6911 -4.6364 -4.6364 -4.4049 -4.3947 -4.0009 -3.9893 -0.1500 -0.1491 0.8336 0.8348 1.6575 1.6589 4.8055 4.8070 8.5731 8.5749 12.6104 12.6111 14.5283 14.5283 k =-0.1007 0.0869 0.2008 ( 3335 PWs) bands (ev): -47.5319 -47.5319 -22.3506 -22.3505 -19.5843 -19.5807 -19.4145 -19.4126 -19.3949 -19.3894 -17.6493 -17.6493 -7.6909 -7.6909 -4.6318 -4.6318 -4.4243 -4.4142 -3.9999 -3.9883 -0.1619 -0.1610 0.8389 0.8401 1.6680 1.6694 4.7884 4.7899 8.6272 8.6290 12.6028 12.6036 14.5035 14.5035 k =-0.1063 0.0917 0.2120 ( 3339 PWs) bands (ev): -47.5319 -47.5319 -22.3489 -22.3488 -19.5844 -19.5806 -19.4144 -19.4125 -19.3953 -19.3896 -17.6507 -17.6507 -7.6908 -7.6907 -4.6270 -4.6270 -4.4440 -4.4341 -3.9987 -3.9873 -0.1740 -0.1730 0.8444 0.8457 1.6787 1.6801 4.7712 4.7727 8.6836 8.6854 12.5943 12.5951 14.4575 14.4575 k =-0.1118 0.0965 0.2231 ( 3343 PWs) bands (ev): -47.5318 -47.5318 -22.3472 -22.3470 -19.5845 -19.5805 -19.4143 -19.4124 -19.3955 -19.3897 -17.6520 -17.6520 -7.6908 -7.6907 -4.6221 -4.6221 -4.4641 -4.4544 -3.9975 -3.9862 -0.1862 -0.1851 0.8502 0.8516 1.6894 1.6909 4.7540 4.7555 8.7421 8.7439 12.5848 12.5857 14.3947 14.3948 k =-0.1174 0.1013 0.2343 ( 3347 PWs) bands (ev): -47.5318 -47.5318 -22.3454 -22.3452 -19.5846 -19.5804 -19.4142 -19.4123 -19.3958 -19.3899 -17.6535 -17.6535 -7.6909 -7.6908 -4.6170 -4.6170 -4.4843 -4.4748 -3.9963 -3.9852 -0.1983 -0.1973 0.8562 0.8576 1.7003 1.7017 4.7369 4.7384 8.8026 8.8044 12.5744 12.5753 14.3204 14.3207 k =-0.1230 0.1062 0.2454 ( 3347 PWs) bands (ev): -47.5317 -47.5317 -22.3435 -22.3433 -19.5847 -19.5802 -19.4140 -19.4123 -19.3960 -19.3900 -17.6549 -17.6549 -7.6911 -7.6911 -4.6118 -4.6117 -4.5046 -4.4954 -3.9950 -3.9841 -0.2104 -0.2093 0.8625 0.8640 1.7112 1.7127 4.7201 4.7217 8.8650 8.8668 12.5629 12.5639 14.2390 14.2395 k =-0.1286 0.1110 0.2566 ( 3349 PWs) bands (ev): -47.5317 -47.5317 -22.3416 -22.3414 -19.5848 -19.5802 -19.4140 -19.4124 -19.3962 -19.3901 -17.6564 -17.6564 -7.6915 -7.6915 -4.6064 -4.6063 -4.5249 -4.5159 -3.9937 -3.9830 -0.2224 -0.2213 0.8690 0.8705 1.7222 1.7236 4.7036 4.7052 8.9291 8.9309 12.5503 12.5514 14.1532 14.1540 k =-0.1342 0.1158 0.2677 ( 3353 PWs) bands (ev): -47.5316 -47.5316 -22.3397 -22.3395 -19.5849 -19.5801 -19.4139 -19.4125 -19.3963 -19.3903 -17.6579 -17.6579 -7.6920 -7.6920 -4.6009 -4.6008 -4.5451 -4.5364 -3.9925 -3.9820 -0.2342 -0.2330 0.8758 0.8773 1.7330 1.7344 4.6876 4.6892 8.9950 8.9967 12.5367 12.5378 14.0651 14.0661 k =-0.1398 0.1206 0.2789 ( 3363 PWs) bands (ev): -47.5316 -47.5316 -22.3378 -22.3376 -19.5851 -19.5801 -19.4139 -19.4126 -19.3965 -19.3904 -17.6595 -17.6595 -7.6928 -7.6927 -4.5955 -4.5953 -4.5650 -4.5566 -3.9913 -3.9810 -0.2457 -0.2445 0.8827 0.8843 1.7438 1.7451 4.6721 4.6737 9.0623 9.0640 12.5219 12.5231 13.9759 13.9771 k =-0.1454 0.1255 0.2901 ( 3359 PWs) bands (ev): -47.5315 -47.5315 -22.3358 -22.3356 -19.5852 -19.5800 -19.4138 -19.4128 -19.3965 -19.3905 -17.6611 -17.6611 -7.6937 -7.6937 -4.5908 -4.5896 -4.5835 -4.5764 -3.9901 -3.9800 -0.2569 -0.2556 0.8899 0.8915 1.7544 1.7557 4.6572 4.6588 9.1311 9.1328 12.5060 12.5072 13.8864 13.8878 k =-0.1510 0.1303 0.3012 ( 3355 PWs) bands (ev): -47.5315 -47.5315 -22.3339 -22.3337 -19.5853 -19.5800 -19.4138 -19.4129 -19.3966 -19.3906 -17.6627 -17.6626 -7.6948 -7.6948 -4.6045 -4.5959 -4.5838 -4.5833 -3.9890 -3.9791 -0.2677 -0.2663 0.8973 0.8989 1.7648 1.7662 4.6431 4.6447 9.2012 9.2028 12.4889 12.4902 13.7973 13.7989 k =-0.1566 0.1351 0.3124 ( 3355 PWs) bands (ev): -47.5314 -47.5314 -22.3319 -22.3317 -19.5855 -19.5800 -19.4138 -19.4131 -19.3966 -19.3906 -17.6643 -17.6642 -7.6962 -7.6961 -4.6230 -4.6149 -4.5779 -4.5777 -3.9880 -3.9784 -0.2780 -0.2766 0.9048 0.9065 1.7751 1.7764 4.6297 4.6314 9.2724 9.2739 12.4707 12.4720 13.7089 13.7107 k =-0.1622 0.1400 0.3235 ( 3351 PWs) bands (ev): -47.5314 -47.5314 -22.3299 -22.3297 -19.5856 -19.5800 -19.4138 -19.4134 -19.3966 -19.3907 -17.6659 -17.6659 -7.6977 -7.6977 -4.6411 -4.6333 -4.5720 -4.5718 -3.9871 -3.9777 -0.2877 -0.2863 0.9126 0.9143 1.7852 1.7864 4.6173 4.6189 9.3447 9.3461 12.4513 12.4527 13.6215 13.6235 k =-0.1678 0.1448 0.3347 ( 3351 PWs) bands (ev): -47.5313 -47.5313 -22.3280 -22.3277 -19.5858 -19.5800 -19.4139 -19.4136 -19.3966 -19.3908 -17.6675 -17.6675 -7.6996 -7.6995 -4.6586 -4.6510 -4.5661 -4.5659 -3.9864 -3.9771 -0.2969 -0.2955 0.9205 0.9222 1.7949 1.7961 4.6058 4.6074 9.4178 9.4192 12.4307 12.4322 13.5355 13.5376 k =-0.1734 0.1496 0.3458 ( 3351 PWs) bands (ev): -47.5313 -47.5313 -22.3260 -22.3258 -19.5860 -19.5801 -19.4139 -19.4139 -19.3966 -19.3909 -17.6691 -17.6691 -7.7016 -7.7015 -4.6754 -4.6680 -4.5601 -4.5599 -3.9857 -3.9767 -0.3055 -0.3040 0.9285 0.9303 1.8045 1.8056 4.5953 4.5970 9.4918 9.4930 12.4091 12.4106 13.4509 13.4532 k =-0.1790 0.1544 0.3570 ( 3355 PWs) bands (ev): -47.5312 -47.5312 -22.3241 -22.3238 -19.5863 -19.5802 -19.4143 -19.4141 -19.3967 -19.3910 -17.6708 -17.6708 -7.7040 -7.7039 -4.6913 -4.6841 -4.5542 -4.5540 -3.9853 -3.9764 -0.3134 -0.3118 0.9367 0.9386 1.8137 1.8147 4.5858 4.5875 9.5663 9.5675 12.3863 12.3879 13.3679 13.3704 k =-0.1846 0.1593 0.3682 ( 3353 PWs) bands (ev): -47.5312 -47.5312 -22.3222 -22.3219 -19.5865 -19.5803 -19.4146 -19.4142 -19.3967 -19.3911 -17.6724 -17.6724 -7.7066 -7.7065 -4.7064 -4.6994 -4.5482 -4.5480 -3.9850 -3.9763 -0.3204 -0.3189 0.9450 0.9469 1.8226 1.8236 4.5776 4.5793 9.6413 9.6424 12.3624 12.3641 13.2866 13.2893 k =-0.1901 0.1641 0.3793 ( 3351 PWs) bands (ev): -47.5312 -47.5312 -22.3203 -22.3200 -19.5867 -19.5804 -19.4149 -19.4144 -19.3967 -19.3912 -17.6740 -17.6740 -7.7095 -7.7093 -4.7206 -4.7138 -4.5422 -4.5420 -3.9848 -3.9763 -0.3268 -0.3251 0.9535 0.9554 1.8312 1.8321 4.5705 4.5722 9.7167 9.7176 12.3375 12.3393 13.2071 13.2099 k =-0.1957 0.1689 0.3905 ( 3355 PWs) bands (ev): -47.5311 -47.5311 -22.3184 -22.3182 -19.5870 -19.5806 -19.4153 -19.4146 -19.3967 -19.3913 -17.6756 -17.6756 -7.7127 -7.7125 -4.7337 -4.7271 -4.5363 -4.5361 -3.9849 -3.9766 -0.3322 -0.3306 0.9620 0.9640 1.8394 1.8402 4.5647 4.5664 9.7922 9.7930 12.3116 12.3134 13.1295 13.1325 k =-0.2013 0.1737 0.4016 ( 3353 PWs) bands (ev): -47.5311 -47.5311 -22.3166 -22.3164 -19.5872 -19.5807 -19.4156 -19.4148 -19.3968 -19.3913 -17.6772 -17.6772 -7.7162 -7.7160 -4.7458 -4.7394 -4.5304 -4.5301 -3.9852 -3.9770 -0.3369 -0.3351 0.9707 0.9727 1.8472 1.8480 4.5602 4.5620 9.8677 9.8684 12.2847 12.2865 13.0539 13.0570 k =-0.2069 0.1786 0.4128 ( 3357 PWs) bands (ev): -47.5311 -47.5311 -22.3149 -22.3146 -19.5875 -19.5809 -19.4160 -19.4151 -19.3969 -19.3915 -17.6788 -17.6788 -7.7200 -7.7197 -4.7568 -4.7506 -4.5245 -4.5243 -3.9856 -3.9777 -0.3405 -0.3388 0.9794 0.9815 1.8547 1.8554 4.5571 4.5588 9.9430 9.9435 12.2568 12.2587 12.9803 12.9835 k =-0.2125 0.1834 0.4239 ( 3349 PWs) bands (ev): -47.5310 -47.5310 -22.3131 -22.3129 -19.5877 -19.5811 -19.4163 -19.4154 -19.3970 -19.3915 -17.6803 -17.6803 -7.7241 -7.7238 -4.7667 -4.7606 -4.5187 -4.5185 -3.9863 -3.9785 -0.3433 -0.3415 0.9883 0.9903 1.8619 1.8625 4.5553 4.5570 10.0180 10.0184 12.2280 12.2298 12.9088 12.9121 k =-0.2181 0.1882 0.4351 ( 3343 PWs) bands (ev): -47.5310 -47.5310 -22.3115 -22.3112 -19.5880 -19.5812 -19.4167 -19.4157 -19.3971 -19.3916 -17.6818 -17.6818 -7.7285 -7.7282 -4.7754 -4.7694 -4.5130 -4.5127 -3.9872 -3.9796 -0.3451 -0.3432 0.9972 0.9993 1.8686 1.8692 4.5548 4.5566 10.0924 10.0926 12.1982 12.2001 12.8395 12.8429 k =-0.2237 0.1930 0.4462 ( 3343 PWs) bands (ev): -47.5309 -47.5309 -22.3099 -22.3096 -19.5883 -19.5815 -19.4170 -19.4160 -19.3973 -19.3918 -17.6833 -17.6833 -7.7332 -7.7328 -4.7828 -4.7770 -4.5073 -4.5071 -3.9883 -3.9809 -0.3459 -0.3440 1.0061 1.0082 1.8749 1.8754 4.5558 4.5575 10.1660 10.1660 12.1675 12.1693 12.7725 12.7760 k =-0.2293 0.1979 0.4574 ( 3339 PWs) bands (ev): -47.5309 -47.5309 -22.3083 -22.3080 -19.5886 -19.5817 -19.4174 -19.4164 -19.3974 -19.3919 -17.6848 -17.6848 -7.7382 -7.7378 -4.7890 -4.7834 -4.5018 -4.5015 -3.9897 -3.9824 -0.3457 -0.3438 1.0151 1.0172 1.8809 1.8813 4.5582 4.5599 10.2384 10.2385 12.1357 12.1375 12.7079 12.7115 k =-0.2349 0.2027 0.4686 ( 3339 PWs) bands (ev): -47.5309 -47.5309 -22.3068 -22.3065 -19.5889 -19.5820 -19.4177 -19.4168 -19.3976 -19.3921 -17.6862 -17.6862 -7.7435 -7.7431 -4.7940 -4.7885 -4.4963 -4.4960 -3.9913 -3.9842 -0.3445 -0.3425 1.0240 1.0262 1.8865 1.8868 4.5620 4.5638 10.3095 10.3098 12.1030 12.1047 12.6458 12.6495 k =-0.2405 0.2075 0.4797 ( 3351 PWs) bands (ev): -47.5309 -47.5309 -22.3054 -22.3051 -19.5892 -19.5823 -19.4182 -19.4173 -19.3980 -19.3923 -17.6876 -17.6876 -7.7491 -7.7487 -4.7976 -4.7923 -4.4909 -4.4906 -3.9931 -3.9862 -0.3423 -0.3402 1.0330 1.0352 1.8916 1.8918 4.5673 4.5690 10.3790 10.3795 12.0692 12.0707 12.5865 12.5901 k =-0.2461 0.2123 0.4909 ( 3351 PWs) bands (ev): -47.5309 -47.5309 -22.3040 -22.3037 -19.5896 -19.5827 -19.4185 -19.4177 -19.3983 -19.3925 -17.6889 -17.6889 -7.7550 -7.7546 -4.8000 -4.7947 -4.4857 -4.4854 -3.9952 -3.9884 -0.3390 -0.3369 1.0420 1.0442 1.8964 1.8965 4.5740 4.5757 10.4467 10.4474 12.0342 12.0357 12.5299 12.5335 k =-0.2517 0.2172 0.5020 ( 3355 PWs) bands (ev): -47.5309 -47.5309 -22.3027 -22.3024 -19.5899 -19.5830 -19.4189 -19.4183 -19.3986 -19.3927 -17.6903 -17.6902 -7.7612 -7.7607 -4.8010 -4.7959 -4.4806 -4.4802 -3.9976 -3.9909 -0.3346 -0.3325 1.0509 1.0532 1.9007 1.9008 4.5821 4.5838 10.5122 10.5131 11.9981 11.9994 12.4763 12.4799 k =-0.2573 0.2220 0.5132 ( 3347 PWs) bands (ev): -47.5309 -47.5309 -22.3015 -22.3011 -19.5902 -19.5833 -19.4193 -19.4187 -19.3989 -19.3928 -17.6915 -17.6915 -7.7676 -7.7672 -4.8007 -4.7957 -4.4755 -4.4751 -4.0001 -3.9936 -0.3292 -0.3271 1.0599 1.0622 1.9047 1.9047 4.5916 4.5934 10.5751 10.5763 11.9608 11.9619 12.4257 12.4293 k =-0.2628 0.2268 0.5243 ( 3343 PWs) bands (ev): -47.5309 -47.5309 -22.3003 -22.3000 -19.5905 -19.5837 -19.4196 -19.4193 -19.3992 -19.3930 -17.6927 -17.6927 -7.7744 -7.7739 -4.7991 -4.7942 -4.4706 -4.4702 -4.0029 -3.9965 -0.3228 -0.3206 1.0688 1.0712 1.9083 1.9084 4.6026 4.6043 10.6351 10.6365 11.9223 11.9231 12.3783 12.3818 k =-0.2684 0.2316 0.5355 ( 3351 PWs) bands (ev): -47.5309 -47.5309 -22.2992 -22.2989 -19.5909 -19.5841 -19.4200 -19.4199 -19.3996 -19.3933 -17.6939 -17.6939 -7.7814 -7.7809 -4.7962 -4.7915 -4.4659 -4.4655 -4.0060 -3.9997 -0.3154 -0.3132 1.0776 1.0800 1.9114 1.9116 4.6149 4.6166 10.6917 10.6934 11.8826 11.8831 12.3340 12.3374 k =-0.2740 0.2365 0.5467 ( 3355 PWs) bands (ev): -47.5309 -47.5309 -22.2982 -22.2979 -19.5913 -19.5846 -19.4206 -19.4205 -19.4000 -19.3935 -17.6950 -17.6950 -7.7886 -7.7881 -4.7921 -4.7875 -4.4612 -4.4608 -4.0093 -4.0032 -0.3070 -0.3047 1.0864 1.0888 1.9143 1.9145 4.6285 4.6302 10.7446 10.7466 11.8419 11.8421 12.2929 12.2961 k =-0.2796 0.2413 0.5578 ( 3355 PWs) bands (ev): -47.5309 -47.5309 -22.2973 -22.2969 -19.5917 -19.5850 -19.4212 -19.4209 -19.4003 -19.3937 -17.6961 -17.6961 -7.7961 -7.7955 -4.7866 -4.7821 -4.4568 -4.4564 -4.0128 -4.0068 -0.2976 -0.2953 1.0951 1.0975 1.9168 1.9171 4.6435 4.6452 10.7933 10.7956 11.8000 11.8002 12.2547 12.2578 k =-0.2852 0.2461 0.5690 ( 3359 PWs) bands (ev): -47.5309 -47.5309 -22.2964 -22.2960 -19.5921 -19.5855 -19.4219 -19.4214 -19.4007 -19.3939 -17.6971 -17.6971 -7.8038 -7.8032 -4.7799 -4.7755 -4.4524 -4.4520 -4.0165 -4.0106 -0.2872 -0.2849 1.1037 1.1061 1.9189 1.9193 4.6597 4.6614 10.8373 10.8399 11.7573 11.7577 12.2194 12.2223 k =-0.2908 0.2509 0.5801 ( 3367 PWs) bands (ev): -47.5309 -47.5309 -22.2956 -22.2953 -19.5925 -19.5860 -19.4227 -19.4219 -19.4010 -19.3941 -17.6981 -17.6980 -7.8117 -7.8111 -4.7720 -4.7677 -4.4482 -4.4478 -4.0204 -4.0147 -0.2760 -0.2736 1.1122 1.1146 1.9208 1.9212 4.6771 4.6788 10.8763 10.8791 11.7139 11.7147 12.1866 12.1894 k =-0.2964 0.2558 0.5913 ( 3355 PWs) bands (ev): -47.5309 -47.5309 -22.2949 -22.2945 -19.5929 -19.5865 -19.4234 -19.4223 -19.4013 -19.3942 -17.6990 -17.6990 -7.8197 -7.8191 -4.7629 -4.7587 -4.4442 -4.4437 -4.0245 -4.0189 -0.2637 -0.2613 1.1206 1.1230 1.9223 1.9228 4.6958 4.6975 10.9097 10.9129 11.6704 11.6715 12.1562 12.1588 k =-0.3020 0.2606 0.6024 ( 3359 PWs) bands (ev): -47.5310 -47.5310 -22.2942 -22.2939 -19.5933 -19.5870 -19.4241 -19.4228 -19.4016 -19.3944 -17.6998 -17.6998 -7.8279 -7.8273 -4.7526 -4.7485 -4.4403 -4.4398 -4.0288 -4.0233 -0.2506 -0.2482 1.1288 1.1313 1.9236 1.9241 4.7156 4.7172 10.9372 10.9406 11.6268 11.6282 12.1277 12.1302 k =-0.3076 0.2654 0.6136 ( 3367 PWs) bands (ev): -47.5310 -47.5310 -22.2937 -22.2933 -19.5938 -19.5876 -19.4250 -19.4234 -19.4020 -19.3946 -17.7007 -17.7006 -7.8363 -7.8357 -4.7413 -4.7373 -4.4365 -4.4360 -4.0333 -4.0279 -0.2368 -0.2343 1.1369 1.1394 1.9245 1.9251 4.7364 4.7380 10.9585 10.9622 11.5835 11.5851 12.1008 12.1032 k =-0.3132 0.2703 0.6247 ( 3359 PWs) bands (ev): -47.5310 -47.5310 -22.2931 -22.2928 -19.5942 -19.5882 -19.4257 -19.4239 -19.4022 -19.3947 -17.7014 -17.7014 -7.8448 -7.8441 -4.7289 -4.7249 -4.4329 -4.4324 -4.0379 -4.0326 -0.2221 -0.2196 1.1449 1.1474 1.9252 1.9259 4.7582 4.7598 10.9734 10.9772 11.5406 11.5424 12.0753 12.0775 k =-0.3188 0.2751 0.6359 ( 3359 PWs) bands (ev): -47.5310 -47.5310 -22.2927 -22.2924 -19.5947 -19.5888 -19.4265 -19.4245 -19.4024 -19.3948 -17.7021 -17.7021 -7.8533 -7.8527 -4.7155 -4.7116 -4.4294 -4.4289 -4.0427 -4.0375 -0.2067 -0.2042 1.1527 1.1552 1.9257 1.9263 4.7809 4.7825 10.9816 10.9856 11.4982 11.5002 12.0508 12.0528 k =-0.3244 0.2799 0.6471 ( 3351 PWs) bands (ev): -47.5310 -47.5310 -22.2923 -22.2920 -19.5951 -19.5894 -19.4273 -19.4251 -19.4025 -19.3949 -17.7028 -17.7028 -7.8620 -7.8613 -4.7011 -4.6973 -4.4260 -4.4256 -4.0476 -4.0425 -0.1907 -0.1882 1.1603 1.1629 1.9259 1.9266 4.8046 4.8061 10.9834 10.9873 11.4563 11.4583 12.0270 12.0289 k =-0.3300 0.2847 0.6582 ( 3355 PWs) bands (ev): -47.5311 -47.5311 -22.2920 -22.2917 -19.5956 -19.5900 -19.4282 -19.4258 -19.4026 -19.3949 -17.7034 -17.7034 -7.8707 -7.8700 -4.6859 -4.6822 -4.4229 -4.4224 -4.0526 -4.0476 -0.1740 -0.1715 1.1678 1.1703 1.9258 1.9266 4.8290 4.8305 10.9788 10.9827 11.4148 11.4168 12.0037 12.0054 k =-0.3355 0.2896 0.6694 ( 3359 PWs) bands (ev): -47.5311 -47.5311 -22.2918 -22.2914 -19.5962 -19.5907 -19.4291 -19.4264 -19.4027 -19.3950 -17.7040 -17.7040 -7.8794 -7.8787 -4.6699 -4.6662 -4.4198 -4.4194 -4.0577 -4.0529 -0.1568 -0.1543 1.1750 1.1776 1.9256 1.9264 4.8541 4.8556 10.9682 10.9720 11.3735 11.3754 11.9807 11.9823 k =-0.3411 0.2944 0.6805 ( 3349 PWs) bands (ev): -47.5311 -47.5311 -22.2916 -22.2912 -19.5966 -19.5914 -19.4299 -19.4271 -19.4027 -19.3950 -17.7045 -17.7045 -7.8881 -7.8875 -4.6531 -4.6495 -4.4169 -4.4164 -4.0629 -4.0582 -0.1390 -0.1365 1.1821 1.1846 1.9252 1.9260 4.8799 4.8813 10.9522 10.9558 11.3320 11.3338 11.9581 11.9595 k =-0.3467 0.2992 0.6917 ( 3355 PWs) bands (ev): -47.5312 -47.5312 -22.2914 -22.2911 -19.5972 -19.5921 -19.4308 -19.4278 -19.4027 -19.3951 -17.7050 -17.7050 -7.8969 -7.8962 -4.6357 -4.6322 -4.4141 -4.4137 -4.0682 -4.0635 -0.1209 -0.1184 1.1890 1.1915 1.9246 1.9254 4.9061 4.9076 10.9314 10.9347 11.2900 11.2915 11.9358 11.9371 k =-0.3523 0.3040 0.7028 ( 3355 PWs) bands (ev): -47.5312 -47.5312 -22.2913 -22.2910 -19.5978 -19.5929 -19.4316 -19.4286 -19.4026 -19.3951 -17.7054 -17.7054 -7.9055 -7.9048 -4.6178 -4.6143 -4.4115 -4.4110 -4.0735 -4.0689 -0.1023 -0.0998 1.1956 1.1981 1.9238 1.9247 4.9328 4.9342 10.9065 10.9095 11.2469 11.2482 11.9139 11.9150 k =-0.3523 0.3040 0.7028 ( 3355 PWs) bands (ev): -47.5312 -47.5312 -22.2913 -22.2910 -19.5978 -19.5929 -19.4316 -19.4286 -19.4026 -19.3951 -17.7054 -17.7054 -7.9055 -7.9048 -4.6178 -4.6143 -4.4115 -4.4110 -4.0735 -4.0689 -0.1023 -0.0998 1.1956 1.1981 1.9238 1.9247 4.9328 4.9342 10.9065 10.9095 11.2469 11.2482 11.9139 11.9150 k =-0.3440 0.2969 0.7101 ( 3354 PWs) bands (ev): -47.5312 -47.5312 -22.2913 -22.2910 -19.5978 -19.5929 -19.4316 -19.4286 -19.4026 -19.3951 -17.7055 -17.7054 -7.9050 -7.9043 -4.6178 -4.6143 -4.4120 -4.4115 -4.0731 -4.0686 -0.1029 -0.1004 1.1939 1.1965 1.9244 1.9256 4.9330 4.9344 10.9047 10.9077 11.2469 11.2482 11.9146 11.9157 k =-0.3357 0.2897 0.7174 ( 3352 PWs) bands (ev): -47.5312 -47.5312 -22.2914 -22.2911 -19.5978 -19.5929 -19.4316 -19.4286 -19.4026 -19.3951 -17.7055 -17.7054 -7.9034 -7.9027 -4.6177 -4.6143 -4.4136 -4.4129 -4.0721 -4.0675 -0.1046 -0.1021 1.1889 1.1919 1.9262 1.9281 4.9335 4.9349 10.8994 10.9023 11.2473 11.2487 11.9166 11.9177 k =-0.3357 0.2897 0.7174 ( 3352 PWs) bands (ev): -47.5312 -47.5312 -22.2914 -22.2911 -19.5978 -19.5929 -19.4316 -19.4286 -19.4026 -19.3951 -17.7055 -17.7054 -7.9034 -7.9027 -4.6177 -4.6143 -4.4136 -4.4129 -4.0721 -4.0675 -0.1046 -0.1021 1.1889 1.1919 1.9262 1.9281 4.9335 4.9349 10.8994 10.9023 11.2473 11.2487 11.9166 11.9177 k =-0.3256 0.2809 0.7174 ( 3352 PWs) bands (ev): -47.5312 -47.5312 -22.2915 -22.2911 -19.5975 -19.5925 -19.4312 -19.4282 -19.4026 -19.3951 -17.7052 -17.7051 -7.8965 -7.8958 -4.6278 -4.6244 -4.4171 -4.4163 -4.0677 -4.0631 -0.1174 -0.1148 1.1788 1.1820 1.9291 1.9316 4.9194 4.9208 10.9061 10.9092 11.2742 11.2759 11.9315 11.9327 k =-0.3154 0.2722 0.7174 ( 3352 PWs) bands (ev): -47.5312 -47.5312 -22.2915 -22.2912 -19.5973 -19.5922 -19.4309 -19.4279 -19.4026 -19.3950 -17.7048 -17.7047 -7.8889 -7.8882 -4.6377 -4.6343 -4.4211 -4.4202 -4.0630 -4.0584 -0.1308 -0.1282 1.1667 1.1703 1.9328 1.9358 4.9058 4.9072 10.9093 10.9124 11.3037 11.3055 11.9474 11.9489 k =-0.3052 0.2634 0.7174 ( 3350 PWs) bands (ev): -47.5312 -47.5312 -22.2916 -22.2913 -19.5971 -19.5919 -19.4306 -19.4277 -19.4026 -19.3950 -17.7043 -17.7042 -7.8806 -7.8799 -4.6476 -4.6442 -4.4257 -4.4246 -4.0580 -4.0533 -0.1450 -0.1424 1.1530 1.1569 1.9371 1.9406 4.8927 4.8941 10.9092 10.9123 11.3361 11.3381 11.9643 11.9660 k =-0.2950 0.2546 0.7174 ( 3351 PWs) bands (ev): -47.5311 -47.5311 -22.2917 -22.2914 -19.5970 -19.5918 -19.4304 -19.4275 -19.4026 -19.3949 -17.7038 -17.7036 -7.8716 -7.8710 -4.6574 -4.6541 -4.4306 -4.4294 -4.0527 -4.0479 -0.1599 -0.1572 1.1379 1.1420 1.9419 1.9457 4.8801 4.8815 10.9066 10.9096 11.3714 11.3734 11.9822 11.9840 k =-0.2849 0.2458 0.7174 ( 3351 PWs) bands (ev): -47.5311 -47.5311 -22.2918 -22.2915 -19.5968 -19.5916 -19.4302 -19.4274 -19.4025 -19.3949 -17.7031 -17.7029 -7.8621 -7.8615 -4.6672 -4.6639 -4.4359 -4.4345 -4.0471 -4.0423 -0.1754 -0.1726 1.1215 1.1259 1.9470 1.9512 4.8681 4.8695 10.9018 10.9047 11.4093 11.4113 12.0008 12.0028 k =-0.2747 0.2370 0.7174 ( 3345 PWs) bands (ev): -47.5311 -47.5311 -22.2919 -22.2916 -19.5967 -19.5916 -19.4301 -19.4273 -19.4024 -19.3948 -17.7023 -17.7021 -7.8520 -7.8514 -4.6769 -4.6738 -4.4413 -4.4398 -4.0414 -4.0366 -0.1915 -0.1887 1.1041 1.1087 1.9524 1.9568 4.8567 4.8581 10.8956 10.8984 11.4493 11.4513 12.0202 12.0223 k =-0.2645 0.2283 0.7174 ( 3352 PWs) bands (ev): -47.5311 -47.5311 -22.2920 -22.2917 -19.5968 -19.5917 -19.4302 -19.4274 -19.4023 -19.3948 -17.7014 -17.7012 -7.8415 -7.8409 -4.6868 -4.6837 -4.4468 -4.4452 -4.0356 -4.0307 -0.2080 -0.2052 1.0858 1.0906 1.9580 1.9626 4.8459 4.8473 10.8885 10.8911 11.4910 11.4930 12.0402 12.0424 k =-0.2543 0.2195 0.7174 ( 3352 PWs) bands (ev): -47.5311 -47.5311 -22.2920 -22.2917 -19.5968 -19.5918 -19.4303 -19.4276 -19.4022 -19.3948 -17.7004 -17.7002 -7.8305 -7.8299 -4.6967 -4.6937 -4.4522 -4.4505 -4.0297 -4.0248 -0.2250 -0.2221 1.0668 1.0718 1.9636 1.9684 4.8358 4.8372 10.8807 10.8832 11.5339 11.5359 12.0606 12.0630 k =-0.2442 0.2107 0.7174 ( 3351 PWs) bands (ev): -47.5311 -47.5311 -22.2921 -22.2918 -19.5969 -19.5920 -19.4305 -19.4278 -19.4020 -19.3948 -17.6992 -17.6990 -7.8191 -7.8186 -4.7068 -4.7039 -4.4575 -4.4557 -4.0238 -4.0189 -0.2423 -0.2393 1.0473 1.0524 1.9693 1.9742 4.8263 4.8277 10.8726 10.8750 11.5776 11.5797 12.0815 12.0839 k =-0.2340 0.2019 0.7174 ( 3347 PWs) bands (ev): -47.5310 -47.5310 -22.2921 -22.2918 -19.5971 -19.5923 -19.4308 -19.4282 -19.4018 -19.3948 -17.6979 -17.6977 -7.8074 -7.8069 -4.7171 -4.7143 -4.4625 -4.4606 -4.0179 -4.0131 -0.2598 -0.2568 1.0275 1.0326 1.9749 1.9798 4.8175 4.8189 10.8645 10.8667 11.6218 11.6239 12.1025 12.1051 k =-0.2238 0.1931 0.7174 ( 3345 PWs) bands (ev): -47.5310 -47.5310 -22.2921 -22.2918 -19.5973 -19.5927 -19.4312 -19.4286 -19.4017 -19.3948 -17.6965 -17.6963 -7.7955 -7.7950 -4.7275 -4.7250 -4.4672 -4.4651 -4.0121 -4.0073 -0.2774 -0.2744 1.0074 1.0125 1.9805 1.9854 4.8094 4.8107 10.8564 10.8586 11.6660 11.6682 12.1238 12.1263 k =-0.2136 0.1844 0.7174 ( 3343 PWs) bands (ev): -47.5310 -47.5310 -22.2920 -22.2918 -19.5976 -19.5932 -19.4316 -19.4291 -19.4014 -19.3948 -17.6950 -17.6947 -7.7834 -7.7829 -4.7383 -4.7358 -4.4714 -4.4692 -4.0064 -4.0017 -0.2950 -0.2920 0.9871 0.9923 1.9859 1.9908 4.8019 4.8032 10.8486 10.8506 11.7098 11.7122 12.1451 12.1477 k =-0.2035 0.1756 0.7174 ( 3345 PWs) bands (ev): -47.5310 -47.5310 -22.2920 -22.2917 -19.5979 -19.5937 -19.4322 -19.4297 -19.4013 -19.3948 -17.6933 -17.6931 -7.7711 -7.7706 -4.7492 -4.7469 -4.4751 -4.4728 -4.0009 -3.9962 -0.3126 -0.3096 0.9669 0.9719 1.9911 1.9959 4.7950 4.7963 10.8411 10.8430 11.7530 11.7555 12.1665 12.1690 k =-0.1933 0.1668 0.7174 ( 3341 PWs) bands (ev): -47.5310 -47.5310 -22.2919 -22.2917 -19.5983 -19.5943 -19.4327 -19.4303 -19.4010 -19.3949 -17.6916 -17.6913 -7.7588 -7.7583 -4.7604 -4.7582 -4.4782 -4.4759 -3.9956 -3.9910 -0.3299 -0.3269 0.9467 0.9517 1.9962 2.0009 4.7888 4.7900 10.8340 10.8358 11.7951 11.7978 12.1879 12.1903 k =-0.1831 0.1580 0.7174 ( 3338 PWs) bands (ev): -47.5310 -47.5310 -22.2918 -22.2916 -19.5987 -19.5950 -19.4334 -19.4310 -19.4008 -19.3949 -17.6898 -17.6895 -7.7465 -7.7461 -4.7717 -4.7697 -4.4807 -4.4784 -3.9905 -3.9860 -0.3469 -0.3440 0.9267 0.9316 2.0011 2.0057 4.7831 4.7843 10.8273 10.8290 11.8359 11.8388 12.2093 12.2117 k =-0.1729 0.1492 0.7174 ( 3348 PWs) bands (ev): -47.5310 -47.5310 -22.2917 -22.2915 -19.5992 -19.5957 -19.4341 -19.4318 -19.4006 -19.3951 -17.6879 -17.6876 -7.7343 -7.7339 -4.7832 -4.7813 -4.4827 -4.4803 -3.9858 -3.9813 -0.3636 -0.3607 0.9070 0.9118 2.0057 2.0101 4.7781 4.7792 10.8210 10.8226 11.8749 11.8780 12.2310 12.2332 k =-0.1628 0.1405 0.7174 ( 3344 PWs) bands (ev): -47.5310 -47.5310 -22.2916 -22.2913 -19.5997 -19.5965 -19.4348 -19.4326 -19.4004 -19.3952 -17.6860 -17.6857 -7.7223 -7.7219 -4.7948 -4.7930 -4.4841 -4.4816 -3.9813 -3.9770 -0.3797 -0.3768 0.8877 0.8924 2.0102 2.0144 4.7736 4.7747 10.8152 10.8167 11.9118 11.9152 12.2530 12.2550 k =-0.1526 0.1317 0.7174 ( 3342 PWs) bands (ev): -47.5309 -47.5309 -22.2914 -22.2912 -19.6003 -19.5972 -19.4355 -19.4335 -19.4002 -19.3953 -17.6840 -17.6837 -7.7105 -7.7101 -4.8063 -4.8047 -4.4849 -4.4824 -3.9771 -3.9729 -0.3952 -0.3924 0.8689 0.8734 2.0144 2.0184 4.7696 4.7707 10.8099 10.8112 11.9463 11.9499 12.2754 12.2774 k =-0.1424 0.1229 0.7174 ( 3344 PWs) bands (ev): -47.5309 -47.5309 -22.2913 -22.2911 -19.6009 -19.5981 -19.4363 -19.4343 -19.4000 -19.3954 -17.6820 -17.6817 -7.6990 -7.6986 -4.8177 -4.8163 -4.4851 -4.4827 -3.9733 -3.9693 -0.4100 -0.4073 0.8507 0.8551 2.0183 2.0222 4.7661 4.7671 10.8049 10.8062 11.9781 11.9819 12.2985 12.3004 k =-0.1323 0.1141 0.7174 ( 3348 PWs) bands (ev): -47.5309 -47.5309 -22.2911 -22.2909 -19.6015 -19.5989 -19.4371 -19.4352 -19.3998 -19.3956 -17.6801 -17.6798 -7.6878 -7.6875 -4.8290 -4.8276 -4.4849 -4.4826 -3.9697 -3.9659 -0.4241 -0.4215 0.8333 0.8374 2.0220 2.0257 4.7630 4.7640 10.8004 10.8016 12.0069 12.0108 12.3223 12.3242 k =-0.1221 0.1053 0.7174 ( 3345 PWs) bands (ev): -47.5309 -47.5309 -22.2909 -22.2907 -19.6021 -19.5998 -19.4378 -19.4361 -19.3996 -19.3957 -17.6781 -17.6779 -7.6772 -7.6769 -4.8399 -4.8387 -4.4843 -4.4820 -3.9666 -3.9629 -0.4373 -0.4349 0.8166 0.8205 2.0255 2.0289 4.7604 4.7613 10.7963 10.7974 12.0325 12.0365 12.3469 12.3488 k =-0.1119 0.0966 0.7174 ( 3347 PWs) bands (ev): -47.5309 -47.5309 -22.2907 -22.2906 -19.6027 -19.6006 -19.4386 -19.4370 -19.3994 -19.3958 -17.6763 -17.6760 -7.6671 -7.6668 -4.8505 -4.8494 -4.4834 -4.4812 -3.9637 -3.9603 -0.4496 -0.4473 0.8008 0.8045 2.0287 2.0319 4.7581 4.7589 10.7927 10.7936 12.0549 12.0589 12.3722 12.3740 k =-0.1017 0.0878 0.7174 ( 3349 PWs) bands (ev): -47.5309 -47.5309 -22.2906 -22.2904 -19.6033 -19.6014 -19.4393 -19.4378 -19.3992 -19.3960 -17.6745 -17.6742 -7.6575 -7.6573 -4.8605 -4.8595 -4.4822 -4.4801 -3.9612 -3.9580 -0.4610 -0.4589 0.7860 0.7894 2.0317 2.0346 4.7562 4.7569 10.7894 10.7903 12.0742 12.0782 12.3979 12.3997 k =-0.0916 0.0790 0.7174 ( 3343 PWs) bands (ev): -47.5309 -47.5309 -22.2904 -22.2902 -19.6039 -19.6022 -19.4399 -19.4386 -19.3990 -19.3961 -17.6728 -17.6725 -7.6487 -7.6485 -4.8700 -4.8691 -4.4807 -4.4788 -3.9590 -3.9561 -0.4714 -0.4694 0.7724 0.7755 2.0344 2.0370 4.7546 4.7553 10.7865 10.7873 12.0907 12.0944 12.4237 12.4254 k =-0.0814 0.0702 0.7174 ( 3345 PWs) bands (ev): -47.5309 -47.5309 -22.2902 -22.2901 -19.6044 -19.6029 -19.4405 -19.4393 -19.3988 -19.3962 -17.6712 -17.6710 -7.6406 -7.6404 -4.8787 -4.8779 -4.4792 -4.4774 -3.9572 -3.9545 -0.4807 -0.4789 0.7599 0.7627 2.0368 2.0391 4.7532 4.7539 10.7839 10.7846 12.1044 12.1079 12.4490 12.4506 k =-0.0712 0.0615 0.7174 ( 3344 PWs) bands (ev): -47.5309 -47.5309 -22.2900 -22.2899 -19.6049 -19.6036 -19.4411 -19.4400 -19.3986 -19.3964 -17.6697 -17.6696 -7.6333 -7.6331 -4.8867 -4.8860 -4.4776 -4.4760 -3.9555 -3.9531 -0.4890 -0.4874 0.7487 0.7512 2.0390 2.0410 4.7521 4.7527 10.7817 10.7823 12.1158 12.1189 12.4733 12.4748 k =-0.0610 0.0527 0.7174 ( 3343 PWs) bands (ev): -47.5309 -47.5309 -22.2899 -22.2898 -19.6053 -19.6043 -19.4415 -19.4406 -19.3984 -19.3965 -17.6684 -17.6683 -7.6268 -7.6267 -4.8937 -4.8932 -4.4760 -4.4746 -3.9542 -3.9521 -0.4962 -0.4948 0.7388 0.7410 2.0409 2.0426 4.7513 4.7517 10.7798 10.7804 12.1250 12.1278 12.4960 12.4973 k =-0.0509 0.0439 0.7174 ( 3349 PWs) bands (ev): -47.5309 -47.5309 -22.2898 -22.2897 -19.6058 -19.6049 -19.4420 -19.4412 -19.3983 -19.3967 -17.6673 -17.6672 -7.6212 -7.6211 -4.8999 -4.8994 -4.4745 -4.4733 -3.9530 -3.9513 -0.5023 -0.5011 0.7304 0.7322 2.0425 2.0440 4.7506 4.7510 10.7783 10.7787 12.1324 12.1348 12.5165 12.5176 k =-0.0407 0.0351 0.7174 ( 3349 PWs) bands (ev): -47.5309 -47.5309 -22.2897 -22.2896 -19.6061 -19.6054 -19.4423 -19.4417 -19.3981 -19.3969 -17.6664 -17.6663 -7.6166 -7.6165 -4.9049 -4.9046 -4.4732 -4.4722 -3.9521 -3.9507 -0.5072 -0.5063 0.7234 0.7248 2.0439 2.0451 4.7500 4.7504 10.7770 10.7774 12.1382 12.1401 12.5342 12.5351 k =-0.0305 0.0263 0.7174 ( 3350 PWs) bands (ev): -47.5309 -47.5309 -22.2896 -22.2895 -19.6063 -19.6058 -19.4425 -19.4421 -19.3980 -19.3970 -17.6656 -17.6656 -7.6130 -7.6129 -4.9090 -4.9087 -4.4721 -4.4714 -3.9514 -3.9503 -0.5111 -0.5104 0.7179 0.7190 2.0450 2.0459 4.7497 4.7499 10.7761 10.7763 12.1426 12.1441 12.5486 12.5493 k =-0.0203 0.0176 0.7174 ( 3354 PWs) bands (ev): -47.5309 -47.5309 -22.2895 -22.2895 -19.6064 -19.6061 -19.4427 -19.4424 -19.3978 -19.3972 -17.6651 -17.6650 -7.6104 -7.6103 -4.9118 -4.9117 -4.4713 -4.4708 -3.9509 -3.9501 -0.5138 -0.5133 0.7141 0.7148 2.0458 2.0464 4.7494 4.7496 10.7754 10.7756 12.1457 12.1467 12.5593 12.5598 k =-0.0102 0.0088 0.7174 ( 3356 PWs) bands (ev): -47.5309 -47.5309 -22.2895 -22.2894 -19.6065 -19.6063 -19.4428 -19.4426 -19.3977 -19.3974 -17.6648 -17.6647 -7.6088 -7.6088 -4.9136 -4.9135 -4.4707 -4.4704 -3.9504 -3.9501 -0.5154 -0.5151 0.7118 0.7122 2.0463 2.0466 4.7493 4.7494 10.7750 10.7751 12.1476 12.1481 12.5659 12.5661 k = 0.0000 0.0000 0.7174 ( 3354 PWs) bands (ev): -47.5309 -47.5309 -22.2894 -22.2894 -19.6065 -19.6065 -19.4427 -19.4427 -19.3975 -19.3975 -17.6646 -17.6646 -7.6082 -7.6082 -4.9141 -4.9141 -4.4704 -4.4704 -3.9502 -3.9502 -0.5158 -0.5158 0.7112 0.7112 2.0466 2.0466 4.7493 4.7493 10.7749 10.7749 12.1484 12.1484 12.5682 12.5682 k = 0.0000 0.0000 0.7174 ( 3354 PWs) bands (ev): -47.5309 -47.5309 -22.2894 -22.2894 -19.6065 -19.6065 -19.4427 -19.4427 -19.3975 -19.3975 -17.6646 -17.6646 -7.6082 -7.6082 -4.9141 -4.9141 -4.4704 -4.4704 -3.9502 -3.9502 -0.5158 -0.5158 0.7112 0.7112 2.0466 2.0466 4.7493 4.7493 10.7749 10.7749 12.1484 12.1484 12.5682 12.5682 k = 0.0086 0.0100 0.7174 ( 3356 PWs) bands (ev): -47.5309 -47.5309 -22.2895 -22.2895 -19.6067 -19.6062 -19.4431 -19.4424 -19.3975 -19.3974 -17.6647 -17.6646 -7.6083 -7.6083 -4.9144 -4.9142 -4.4703 -4.4701 -3.9504 -3.9503 -0.5156 -0.5155 0.7112 0.7112 2.0467 2.0467 4.7491 4.7494 10.7757 10.7759 12.1485 12.1487 12.5662 12.5667 k = 0.0172 0.0200 0.7174 ( 3356 PWs) bands (ev): -47.5309 -47.5309 -22.2895 -22.2895 -19.6069 -19.6059 -19.4434 -19.4420 -19.3975 -19.3973 -17.6647 -17.6646 -7.6085 -7.6085 -4.9150 -4.9147 -4.4699 -4.4694 -3.9509 -3.9507 -0.5148 -0.5145 0.7112 0.7113 2.0468 2.0468 4.7490 4.7495 10.7782 10.7787 12.1488 12.1493 12.5607 12.5618 k = 0.0259 0.0300 0.7174 ( 3352 PWs) bands (ev): -47.5309 -47.5309 -22.2896 -22.2896 -19.6071 -19.6056 -19.4437 -19.4416 -19.3974 -19.3971 -17.6648 -17.6646 -7.6089 -7.6088 -4.9160 -4.9155 -4.4691 -4.4683 -3.9516 -3.9513 -0.5134 -0.5129 0.7114 0.7115 2.0469 2.0469 4.7487 4.7495 10.7825 10.7832 12.1495 12.1502 12.5519 12.5534 k = 0.0345 0.0400 0.7174 ( 3348 PWs) bands (ev): -47.5309 -47.5309 -22.2897 -22.2897 -19.6073 -19.6052 -19.4440 -19.4413 -19.3973 -19.3968 -17.6648 -17.6646 -7.6093 -7.6093 -4.9174 -4.9166 -4.4680 -4.4669 -3.9527 -3.9522 -0.5114 -0.5108 0.7115 0.7117 2.0472 2.0472 4.7485 4.7495 10.7886 10.7895 12.1505 12.1515 12.5398 12.5418 k = 0.0431 0.0499 0.7174 ( 3346 PWs) bands (ev): -47.5309 -47.5309 -22.2899 -22.2899 -19.6074 -19.6049 -19.4442 -19.4409 -19.3971 -19.3966 -17.6649 -17.6646 -7.6099 -7.6098 -4.9190 -4.9181 -4.4665 -4.4652 -3.9540 -3.9534 -0.5089 -0.5082 0.7117 0.7120 2.0475 2.0475 4.7482 4.7495 10.7964 10.7975 12.1518 12.1530 12.5245 12.5270 k = 0.0517 0.0599 0.7174 ( 3346 PWs) bands (ev): -47.5309 -47.5309 -22.2901 -22.2901 -19.6076 -19.6045 -19.4445 -19.4405 -19.3969 -19.3962 -17.6650 -17.6646 -7.6106 -7.6105 -4.9210 -4.9199 -4.4647 -4.4631 -3.9555 -3.9549 -0.5058 -0.5050 0.7120 0.7123 2.0478 2.0479 4.7479 4.7494 10.8059 10.8072 12.1533 12.1548 12.5063 12.5092 k = 0.0603 0.0699 0.7174 ( 3348 PWs) bands (ev): -47.5309 -47.5309 -22.2904 -22.2904 -19.6077 -19.6041 -19.4447 -19.4401 -19.3967 -19.3959 -17.6651 -17.6646 -7.6115 -7.6113 -4.9232 -4.9219 -4.4626 -4.4609 -3.9573 -3.9566 -0.5023 -0.5013 0.7122 0.7126 2.0482 2.0483 4.7475 4.7493 10.8171 10.8186 12.1552 12.1569 12.4851 12.4884 k = 0.0690 0.0799 0.7174 ( 3346 PWs) bands (ev): -47.5309 -47.5309 -22.2906 -22.2906 -19.6077 -19.6037 -19.4450 -19.4397 -19.3964 -19.3955 -17.6652 -17.6647 -7.6124 -7.6122 -4.9256 -4.9242 -4.4603 -4.4583 -3.9593 -3.9585 -0.4984 -0.4973 0.7126 0.7130 2.0487 2.0487 4.7472 4.7491 10.8299 10.8316 12.1573 12.1592 12.4614 12.4651 k = 0.0776 0.0899 0.7174 ( 3352 PWs) bands (ev): -47.5309 -47.5309 -22.2909 -22.2909 -19.6078 -19.6034 -19.4452 -19.4393 -19.3961 -19.3951 -17.6653 -17.6647 -7.6134 -7.6132 -4.9283 -4.9267 -4.4578 -4.4556 -3.9615 -3.9606 -0.4941 -0.4929 0.7129 0.7134 2.0492 2.0492 4.7468 4.7489 10.8443 10.8463 12.1596 12.1618 12.4352 12.4393 k = 0.0862 0.0999 0.7174 ( 3354 PWs) bands (ev): -47.5309 -47.5309 -22.2912 -22.2912 -19.6079 -19.6030 -19.4454 -19.4389 -19.3957 -19.3947 -17.6654 -17.6648 -7.6145 -7.6143 -4.9311 -4.9294 -4.4551 -4.4527 -3.9638 -3.9628 -0.4895 -0.4881 0.7133 0.7138 2.0498 2.0498 4.7464 4.7487 10.8603 10.8624 12.1622 12.1645 12.4068 12.4112 k = 0.0948 0.1099 0.7174 ( 3356 PWs) bands (ev): -47.5309 -47.5309 -22.2916 -22.2916 -19.6079 -19.6026 -19.4457 -19.4385 -19.3953 -19.3942 -17.6655 -17.6648 -7.6156 -7.6154 -4.9340 -4.9322 -4.4523 -4.4497 -3.9662 -3.9652 -0.4846 -0.4831 0.7137 0.7142 2.0504 2.0504 4.7459 4.7485 10.8777 10.8801 12.1649 12.1675 12.3765 12.3812 k = 0.1034 0.1199 0.7174 ( 3352 PWs) bands (ev): -47.5309 -47.5309 -22.2919 -22.2919 -19.6079 -19.6021 -19.4458 -19.4381 -19.3949 -19.3937 -17.6656 -17.6649 -7.6168 -7.6166 -4.9370 -4.9351 -4.4493 -4.4466 -3.9688 -3.9676 -0.4795 -0.4779 0.7142 0.7147 2.0510 2.0511 4.7455 4.7483 10.8966 10.8991 12.1678 12.1706 12.3445 12.3494 k = 0.1121 0.1299 0.7174 ( 3348 PWs) bands (ev): -47.5309 -47.5309 -22.2923 -22.2923 -19.6079 -19.6017 -19.4460 -19.4377 -19.3945 -19.3931 -17.6657 -17.6649 -7.6180 -7.6178 -4.9401 -4.9380 -4.4463 -4.4434 -3.9714 -3.9701 -0.4742 -0.4725 0.7146 0.7152 2.0517 2.0518 4.7451 4.7481 10.9168 10.9195 12.1709 12.1739 12.3110 12.3161 k = 0.1207 0.1399 0.7174 ( 3350 PWs) bands (ev): -47.5309 -47.5309 -22.2926 -22.2926 -19.6079 -19.6013 -19.4462 -19.4373 -19.3941 -19.3926 -17.6658 -17.6650 -7.6193 -7.6191 -4.9431 -4.9410 -4.4433 -4.4402 -3.9740 -3.9727 -0.4689 -0.4671 0.7151 0.7157 2.0524 2.0524 4.7446 4.7478 10.9382 10.9411 12.1741 12.1772 12.2762 12.2816 k = 0.1293 0.1498 0.7174 ( 3350 PWs) bands (ev): -47.5309 -47.5309 -22.2930 -22.2930 -19.6079 -19.6009 -19.4463 -19.4370 -19.3936 -19.3920 -17.6659 -17.6651 -7.6205 -7.6203 -4.9462 -4.9439 -4.4403 -4.4371 -3.9766 -3.9752 -0.4636 -0.4616 0.7155 0.7162 2.0531 2.0531 4.7442 4.7476 10.9608 10.9639 12.1773 12.1807 12.2406 12.2462 k = 0.1379 0.1598 0.7174 ( 3348 PWs) bands (ev): -47.5309 -47.5309 -22.2934 -22.2934 -19.6079 -19.6005 -19.4465 -19.4366 -19.3932 -19.3915 -17.6660 -17.6651 -7.6218 -7.6215 -4.9492 -4.9468 -4.4374 -4.4340 -3.9793 -3.9778 -0.4582 -0.4562 0.7160 0.7167 2.0539 2.0539 4.7438 4.7473 10.9844 10.9876 12.1805 12.1841 12.2042 12.2100 k = 0.1466 0.1698 0.7174 ( 3342 PWs) bands (ev): -47.5309 -47.5309 -22.2937 -22.2937 -19.6078 -19.6001 -19.4466 -19.4363 -19.3927 -19.3909 -17.6661 -17.6652 -7.6230 -7.6228 -4.9520 -4.9497 -4.4345 -4.4310 -3.9818 -3.9803 -0.4530 -0.4509 0.7165 0.7172 2.0546 2.0546 4.7434 4.7471 11.0088 11.0122 12.1674 12.1733 12.1840 12.1876 k = 0.1552 0.1798 0.7174 ( 3336 PWs) bands (ev): -47.5309 -47.5309 -22.2941 -22.2941 -19.6078 -19.5998 -19.4467 -19.4360 -19.3922 -19.3904 -17.6662 -17.6653 -7.6242 -7.6239 -4.9548 -4.9524 -4.4317 -4.4282 -3.9842 -3.9827 -0.4480 -0.4458 0.7169 0.7177 2.0553 2.0553 4.7430 4.7468 11.0339 11.0374 12.1306 12.1366 12.1872 12.1910 k = 0.1638 0.1898 0.7174 ( 3340 PWs) bands (ev): -47.5309 -47.5309 -22.2944 -22.2944 -19.6077 -19.5994 -19.4469 -19.4357 -19.3918 -19.3899 -17.6663 -17.6653 -7.6253 -7.6251 -4.9574 -4.9549 -4.4291 -4.4254 -3.9866 -3.9850 -0.4432 -0.4409 0.7173 0.7181 2.0559 2.0559 4.7426 4.7466 11.0594 11.0630 12.0940 12.1001 12.1903 12.1942 k = 0.1724 0.1998 0.7174 ( 3338 PWs) bands (ev): -47.5309 -47.5309 -22.2947 -22.2947 -19.6077 -19.5991 -19.4470 -19.4354 -19.3914 -19.3894 -17.6664 -17.6654 -7.6264 -7.6261 -4.9599 -4.9573 -4.4267 -4.4229 -3.9888 -3.9871 -0.4386 -0.4363 0.7177 0.7186 2.0566 2.0566 4.7422 4.7463 11.0851 11.0888 12.0579 12.0642 12.1933 12.1974 k = 0.1810 0.2098 0.7174 ( 3338 PWs) bands (ev): -47.5309 -47.5309 -22.2950 -22.2950 -19.6077 -19.5988 -19.4470 -19.4352 -19.3911 -19.3890 -17.6665 -17.6654 -7.6274 -7.6271 -4.9621 -4.9596 -4.4244 -4.4206 -3.9909 -3.9892 -0.4344 -0.4320 0.7181 0.7190 2.0572 2.0572 4.7419 4.7461 11.1106 11.1145 12.0230 12.0293 12.1962 12.2004 k = 0.1897 0.2198 0.7174 ( 3338 PWs) bands (ev): -47.5309 -47.5309 -22.2953 -22.2953 -19.6076 -19.5986 -19.4471 -19.4349 -19.3907 -19.3886 -17.6666 -17.6655 -7.6283 -7.6280 -4.9642 -4.9616 -4.4224 -4.4185 -3.9927 -3.9910 -0.4306 -0.4281 0.7184 0.7193 2.0577 2.0577 4.7416 4.7459 11.1356 11.1395 11.9895 11.9959 12.1988 12.2031 k = 0.1983 0.2298 0.7174 ( 3338 PWs) bands (ev): -47.5309 -47.5309 -22.2955 -22.2955 -19.6076 -19.5983 -19.4472 -19.4347 -19.3905 -19.3883 -17.6666 -17.6655 -7.6292 -7.6289 -4.9660 -4.9633 -4.4206 -4.4166 -3.9944 -3.9926 -0.4271 -0.4246 0.7187 0.7196 2.0582 2.0582 4.7414 4.7458 11.1595 11.1635 11.9581 11.9645 12.2012 12.2056 k = 0.2069 0.2398 0.7174 ( 3336 PWs) bands (ev): -47.5309 -47.5309 -22.2957 -22.2957 -19.6075 -19.5981 -19.4473 -19.4346 -19.3902 -19.3880 -17.6667 -17.6656 -7.6299 -7.6296 -4.9676 -4.9649 -4.4190 -4.4150 -3.9958 -3.9940 -0.4242 -0.4216 0.7190 0.7199 2.0586 2.0587 4.7412 4.7456 11.1817 11.1858 11.9294 11.9359 12.2033 12.2077 k = 0.2155 0.2497 0.7174 ( 3338 PWs) bands (ev): -47.5309 -47.5309 -22.2959 -22.2959 -19.6075 -19.5980 -19.4473 -19.4345 -19.3900 -19.3877 -17.6667 -17.6656 -7.6305 -7.6301 -4.9688 -4.9661 -4.4177 -4.4137 -3.9970 -3.9952 -0.4217 -0.4192 0.7192 0.7201 2.0590 2.0590 4.7410 4.7455 11.2016 11.2058 11.9041 11.9107 12.2050 12.2096 k = 0.2241 0.2597 0.7174 ( 3338 PWs) bands (ev): -47.5309 -47.5309 -22.2960 -22.2960 -19.6075 -19.5979 -19.4474 -19.4344 -19.3898 -19.3875 -17.6668 -17.6656 -7.6309 -7.6306 -4.9699 -4.9671 -4.4167 -4.4126 -3.9980 -3.9961 -0.4198 -0.4172 0.7194 0.7203 2.0593 2.0593 4.7408 4.7454 11.2183 11.2226 11.8832 11.8898 12.2064 12.2110 k = 0.2328 0.2697 0.7174 ( 3338 PWs) bands (ev): -47.5309 -47.5309 -22.2961 -22.2961 -19.6075 -19.5978 -19.4474 -19.4343 -19.3897 -19.3874 -17.6668 -17.6657 -7.6313 -7.6309 -4.9706 -4.9679 -4.4160 -4.4119 -3.9986 -3.9968 -0.4184 -0.4158 0.7195 0.7204 2.0595 2.0595 4.7407 4.7453 11.2311 11.2353 11.8674 11.8740 12.2074 12.2121 k = 0.2414 0.2797 0.7174 ( 3336 PWs) bands (ev): -47.5309 -47.5309 -22.2962 -22.2962 -19.6075 -19.5977 -19.4474 -19.4342 -19.3896 -19.3873 -17.6668 -17.6657 -7.6315 -7.6311 -4.9710 -4.9683 -4.4155 -4.4114 -3.9991 -3.9972 -0.4175 -0.4149 0.7196 0.7205 2.0596 2.0597 4.7406 4.7452 11.2391 11.2434 11.8576 11.8642 12.2081 12.2127 k = 0.2500 0.2897 0.7174 ( 3328 PWs) bands (ev): -47.5308 -47.5308 -22.2962 -22.2962 -19.6074 -19.5977 -19.4474 -19.4342 -19.3895 -19.3872 -17.6668 -17.6657 -7.6315 -7.6312 -4.9712 -4.9684 -4.4154 -4.4112 -3.9992 -3.9973 -0.4172 -0.4146 0.7196 0.7206 2.0597 2.0597 4.7406 4.7452 11.2419 11.2461 11.8542 11.8609 12.2083 12.2129 k = 0.2500 0.2897 0.7174 ( 3328 PWs) bands (ev): -47.5308 -47.5308 -22.2962 -22.2962 -19.6074 -19.5977 -19.4474 -19.4342 -19.3895 -19.3872 -17.6668 -17.6657 -7.6315 -7.6312 -4.9712 -4.9684 -4.4154 -4.4112 -3.9992 -3.9973 -0.4172 -0.4146 0.7196 0.7206 2.0597 2.0597 4.7406 4.7452 11.2419 11.2461 11.8542 11.8609 12.2083 12.2129 k = 0.2417 0.2969 0.7101 ( 3334 PWs) bands (ev): -47.5309 -47.5309 -22.2962 -22.2962 -19.6074 -19.5976 -19.4473 -19.4342 -19.3895 -19.3872 -17.6669 -17.6657 -7.6320 -7.6317 -4.9705 -4.9678 -4.4160 -4.4118 -3.9990 -3.9971 -0.4171 -0.4145 0.7207 0.7216 2.0594 2.0595 4.7404 4.7450 11.2413 11.2455 11.8398 11.8460 12.2242 12.2283 k = 0.2333 0.3041 0.7028 ( 3334 PWs) bands (ev): -47.5309 -47.5309 -22.2964 -22.2963 -19.6072 -19.5975 -19.4472 -19.4340 -19.3895 -19.3872 -17.6671 -17.6659 -7.6333 -7.6330 -4.9685 -4.9658 -4.4177 -4.4136 -3.9985 -3.9966 -0.4169 -0.4143 0.7239 0.7249 2.0588 2.0589 4.7399 4.7445 11.2396 11.2438 11.8023 11.8075 12.2655 12.2686 k = 0.2250 0.3113 0.6955 ( 3334 PWs) bands (ev): -47.5309 -47.5309 -22.2965 -22.2965 -19.6068 -19.5972 -19.4468 -19.4338 -19.3895 -19.3872 -17.6674 -17.6663 -7.6355 -7.6352 -4.9653 -4.9625 -4.4206 -4.4164 -3.9978 -3.9957 -0.4164 -0.4139 0.7292 0.7302 2.0578 2.0579 4.7390 4.7436 11.2368 11.2410 11.7516 11.7559 12.3218 12.3238 k = 0.2167 0.3185 0.6882 ( 3340 PWs) bands (ev): -47.5309 -47.5309 -22.2968 -22.2968 -19.6064 -19.5968 -19.4464 -19.4335 -19.3895 -19.3872 -17.6679 -17.6668 -7.6386 -7.6383 -4.9608 -4.9580 -4.4245 -4.4203 -3.9968 -3.9946 -0.4158 -0.4133 0.7365 0.7375 2.0563 2.0565 4.7377 4.7423 11.2329 11.2370 11.6945 11.6981 12.3858 12.3869 k = 0.2083 0.3257 0.6809 ( 3338 PWs) bands (ev): -47.5309 -47.5309 -22.2971 -22.2971 -19.6058 -19.5964 -19.4458 -19.4330 -19.3894 -19.3871 -17.6685 -17.6674 -7.6424 -7.6421 -4.9551 -4.9523 -4.4294 -4.4251 -3.9956 -3.9933 -0.4150 -0.4126 0.7458 0.7468 2.0545 2.0548 4.7361 4.7406 11.2279 11.2320 11.6346 11.6378 12.4536 12.4541 k = 0.2000 0.3329 0.6736 ( 3342 PWs) bands (ev): -47.5309 -47.5309 -22.2975 -22.2975 -19.6051 -19.5958 -19.4451 -19.4325 -19.3894 -19.3871 -17.6692 -17.6681 -7.6471 -7.6468 -4.9483 -4.9454 -4.4350 -4.4306 -3.9944 -3.9920 -0.4140 -0.4116 0.7570 0.7579 2.0523 2.0526 4.7342 4.7386 11.2219 11.2259 11.5739 11.5766 12.5226 12.5233 k = 0.1917 0.3400 0.6663 ( 3340 PWs) bands (ev): -47.5309 -47.5309 -22.2979 -22.2979 -19.6043 -19.5952 -19.4443 -19.4319 -19.3893 -19.3870 -17.6700 -17.6689 -7.6524 -7.6521 -4.9404 -4.9376 -4.4412 -4.4368 -3.9932 -3.9907 -0.4127 -0.4104 0.7698 0.7708 2.0498 2.0502 4.7319 4.7363 11.2149 11.2189 11.5133 11.5157 12.5915 12.5927 k = 0.1833 0.3472 0.6591 ( 3348 PWs) bands (ev): -47.5309 -47.5309 -22.2985 -22.2984 -19.6034 -19.5945 -19.4434 -19.4312 -19.3892 -19.3869 -17.6709 -17.6698 -7.6583 -7.6580 -4.9317 -4.9288 -4.4480 -4.4435 -3.9921 -3.9895 -0.4113 -0.4091 0.7842 0.7851 2.0470 2.0474 4.7293 4.7337 11.2070 11.2108 11.4534 11.4557 12.6589 12.6608 k = 0.1750 0.3544 0.6518 ( 3350 PWs) bands (ev): -47.5309 -47.5309 -22.2990 -22.2990 -19.6025 -19.5937 -19.4424 -19.4305 -19.3891 -19.3869 -17.6719 -17.6709 -7.6648 -7.6645 -4.9222 -4.9193 -4.4550 -4.4505 -3.9913 -3.9885 -0.4095 -0.4075 0.7999 0.8009 2.0439 2.0444 4.7265 4.7307 11.1981 11.2019 11.3948 11.3969 12.7236 12.7262 k = 0.1667 0.3616 0.6445 ( 3348 PWs) bands (ev): -47.5309 -47.5309 -22.2996 -22.2996 -19.6014 -19.5929 -19.4413 -19.4296 -19.3890 -19.3867 -17.6730 -17.6720 -7.6718 -7.6715 -4.9120 -4.9091 -4.4622 -4.4576 -3.9907 -3.9878 -0.4076 -0.4056 0.8169 0.8179 2.0406 2.0411 4.7234 4.7275 11.1886 11.1922 11.3377 11.3396 12.7843 12.7875 k = 0.1583 0.3688 0.6372 ( 3350 PWs) bands (ev): -47.5309 -47.5309 -22.3002 -22.3002 -19.6003 -19.5921 -19.4401 -19.4288 -19.3889 -19.3866 -17.6741 -17.6732 -7.6791 -7.6789 -4.9014 -4.8984 -4.4693 -4.4646 -3.9904 -3.9874 -0.4054 -0.4035 0.8349 0.8360 2.0371 2.0376 4.7201 4.7241 11.1783 11.1818 11.2822 11.2840 12.8394 12.8433 k = 0.1500 0.3760 0.6299 ( 3346 PWs) bands (ev): -47.5309 -47.5309 -22.3009 -22.3009 -19.5991 -19.5912 -19.4388 -19.4278 -19.3887 -19.3864 -17.6753 -17.6744 -7.6868 -7.6865 -4.8904 -4.8873 -4.4762 -4.4714 -3.9906 -3.9875 -0.4029 -0.4012 0.8538 0.8548 2.0334 2.0340 4.7166 4.7205 11.1674 11.1707 11.2287 11.2304 12.8878 12.8923 k = 0.1417 0.3832 0.6226 ( 3350 PWs) bands (ev): -47.5309 -47.5309 -22.3016 -22.3016 -19.5979 -19.5903 -19.4375 -19.4269 -19.3885 -19.3863 -17.6766 -17.6757 -7.6947 -7.6944 -4.8792 -4.8762 -4.4827 -4.4779 -3.9912 -3.9881 -0.4003 -0.3986 0.8733 0.8743 2.0296 2.0302 4.7129 4.7167 11.1559 11.1588 11.1772 11.1790 12.9283 12.9332 k = 0.1333 0.3904 0.6153 ( 3348 PWs) bands (ev): -47.5309 -47.5309 -22.3023 -22.3022 -19.5967 -19.5894 -19.4361 -19.4259 -19.3883 -19.3862 -17.6779 -17.6770 -7.7027 -7.7024 -4.8681 -4.8651 -4.4887 -4.4838 -3.9923 -3.9892 -0.3974 -0.3959 0.8932 0.8942 2.0257 2.0263 4.7091 4.7128 11.1272 11.1286 11.1444 11.1480 12.9604 12.9655 k = 0.1250 0.3976 0.6080 ( 3350 PWs) bands (ev): -47.5309 -47.5309 -22.3030 -22.3029 -19.5955 -19.5886 -19.4347 -19.4250 -19.3881 -19.3860 -17.6792 -17.6784 -7.7107 -7.7105 -4.8572 -4.8542 -4.4940 -4.4890 -3.9939 -3.9908 -0.3944 -0.3930 0.9133 0.9143 2.0217 2.0223 4.7052 4.7087 11.0802 11.0815 11.1322 11.1354 12.9841 12.9892 k = 0.1167 0.4048 0.6007 ( 3352 PWs) bands (ev): -47.5309 -47.5309 -22.3037 -22.3037 -19.5943 -19.5877 -19.4332 -19.4240 -19.3879 -19.3859 -17.6805 -17.6797 -7.7187 -7.7185 -4.8467 -4.8437 -4.4984 -4.4935 -3.9960 -3.9929 -0.3913 -0.3900 0.9333 0.9344 2.0177 2.0184 4.7013 4.7046 11.0353 11.0366 11.1201 11.1230 13.0000 13.0050 k = 0.1083 0.4120 0.5935 ( 3354 PWs) bands (ev): -47.5309 -47.5309 -22.3044 -22.3043 -19.5931 -19.5869 -19.4318 -19.4231 -19.3877 -19.3857 -17.6818 -17.6810 -7.7265 -7.7263 -4.8368 -4.8338 -4.5018 -4.4970 -3.9986 -3.9955 -0.3881 -0.3869 0.9532 0.9542 2.0138 2.0144 4.6974 4.7005 10.9928 10.9940 11.1080 11.1107 13.0092 13.0139 k = 0.1000 0.4191 0.5862 ( 3350 PWs) bands (ev): -47.5309 -47.5309 -22.3050 -22.3050 -19.5919 -19.5862 -19.4303 -19.4222 -19.3874 -19.3855 -17.6830 -17.6823 -7.7341 -7.7339 -4.8276 -4.8246 -4.5043 -4.4995 -4.0015 -3.9985 -0.3848 -0.3837 0.9726 0.9736 2.0099 2.0106 4.6935 4.6965 10.9529 10.9540 11.0960 11.0986 13.0128 13.0172 k = 0.0917 0.4263 0.5789 ( 3352 PWs) bands (ev): -47.5309 -47.5309 -22.3057 -22.3057 -19.5908 -19.5855 -19.4289 -19.4214 -19.3872 -19.3854 -17.6843 -17.6836 -7.7415 -7.7413 -4.8192 -4.8163 -4.5056 -4.5009 -4.0048 -4.0019 -0.3815 -0.3805 0.9914 0.9924 2.0062 2.0068 4.6897 4.6925 10.9156 10.9167 11.0844 11.0867 13.0121 13.0162 k = 0.0833 0.4335 0.5716 ( 3352 PWs) bands (ev): -47.5309 -47.5309 -22.3063 -22.3063 -19.5897 -19.5848 -19.4275 -19.4206 -19.3869 -19.3852 -17.6854 -17.6848 -7.7484 -7.7482 -4.8118 -4.8091 -4.5059 -4.5014 -4.0084 -4.0056 -0.3783 -0.3774 1.0093 1.0102 2.0026 2.0032 4.6861 4.6887 10.8811 10.8821 11.0732 11.0754 13.0083 13.0120 k = 0.0750 0.4407 0.5643 ( 3358 PWs) bands (ev): -47.5309 -47.5309 -22.3069 -22.3069 -19.5887 -19.5843 -19.4262 -19.4199 -19.3866 -19.3851 -17.6865 -17.6860 -7.7549 -7.7548 -4.8053 -4.8028 -4.5053 -4.5010 -4.0122 -4.0096 -0.3752 -0.3744 1.0262 1.0271 1.9993 1.9998 4.6826 4.6850 10.8494 10.8503 11.0626 11.0646 13.0024 13.0056 k = 0.0667 0.4479 0.5570 ( 3356 PWs) bands (ev): -47.5309 -47.5309 -22.3074 -22.3074 -19.5877 -19.5838 -19.4250 -19.4193 -19.3863 -19.3849 -17.6875 -17.6871 -7.7609 -7.7608 -4.7999 -4.7975 -4.5037 -4.4997 -4.0161 -4.0136 -0.3722 -0.3715 1.0418 1.0427 1.9961 1.9967 4.6794 4.6815 10.8207 10.8215 11.0527 11.0545 12.9952 12.9980 k = 0.0583 0.4551 0.5497 ( 3354 PWs) bands (ev): -47.5309 -47.5309 -22.3079 -22.3079 -19.5868 -19.5833 -19.4238 -19.4188 -19.3860 -19.3848 -17.6885 -17.6881 -7.7663 -7.7662 -4.7953 -4.7932 -4.5015 -4.4978 -4.0199 -4.0176 -0.3695 -0.3689 1.0561 1.0569 1.9933 1.9938 4.6765 4.6784 10.7951 10.7958 11.0437 11.0453 12.9874 12.9898 k = 0.0500 0.4623 0.5424 ( 3352 PWs) bands (ev): -47.5309 -47.5309 -22.3084 -22.3084 -19.5860 -19.5830 -19.4226 -19.4183 -19.3858 -19.3846 -17.6893 -17.6889 -7.7711 -7.7710 -4.7917 -4.7898 -4.4988 -4.4956 -4.0235 -4.0215 -0.3670 -0.3664 1.0688 1.0695 1.9908 1.9913 4.6739 4.6755 10.7727 10.7733 11.0357 11.0370 12.9797 12.9817 k = 0.0417 0.4695 0.5352 ( 3350 PWs) bands (ev): -47.5309 -47.5309 -22.3087 -22.3087 -19.5852 -19.5827 -19.4216 -19.4180 -19.3855 -19.3845 -17.6900 -17.6897 -7.7753 -7.7752 -4.7888 -4.7872 -4.4959 -4.4931 -4.0269 -4.0251 -0.3648 -0.3643 1.0798 1.0804 1.9886 1.9890 4.6716 4.6730 10.7535 10.7541 11.0287 11.0298 12.9724 12.9741 k = 0.0333 0.4767 0.5279 ( 3348 PWs) bands (ev): -47.5309 -47.5309 -22.3090 -22.3090 -19.5846 -19.5826 -19.4207 -19.4178 -19.3852 -19.3845 -17.6906 -17.6903 -7.7787 -7.7787 -4.7865 -4.7853 -4.4931 -4.4908 -4.0298 -4.0284 -0.3629 -0.3626 1.0891 1.0895 1.9868 1.9872 4.6697 4.6708 10.7378 10.7382 11.0229 11.0238 12.9660 12.9673 k = 0.0250 0.4839 0.5206 ( 3346 PWs) bands (ev): -47.5309 -47.5309 -22.3093 -22.3093 -19.5840 -19.5825 -19.4199 -19.4177 -19.3850 -19.3844 -17.6910 -17.6909 -7.7814 -7.7814 -4.7849 -4.7839 -4.4905 -4.4888 -4.0322 -4.0311 -0.3614 -0.3612 1.0964 1.0967 1.9854 1.9857 4.6683 4.6691 10.7254 10.7257 11.0184 11.0190 12.9607 12.9617 k = 0.0167 0.4911 0.5133 ( 3348 PWs) bands (ev): -47.5309 -47.5309 -22.3095 -22.3095 -19.5835 -19.5825 -19.4193 -19.4178 -19.3848 -19.3844 -17.6914 -17.6913 -7.7834 -7.7834 -4.7837 -4.7831 -4.4884 -4.4873 -4.0339 -4.0331 -0.3603 -0.3601 1.1016 1.1019 1.9844 1.9846 4.6672 4.6678 10.7166 10.7168 11.0151 11.0155 12.9569 12.9575 k = 0.0083 0.4983 0.5060 ( 3340 PWs) bands (ev): -47.5309 -47.5309 -22.3096 -22.3096 -19.5831 -19.5826 -19.4187 -19.4180 -19.3846 -19.3844 -17.6915 -17.6915 -7.7846 -7.7846 -4.7830 -4.7827 -4.4870 -4.4864 -4.0349 -4.0345 -0.3596 -0.3595 1.1049 1.1050 1.9839 1.9839 4.6667 4.6670 10.7113 10.7114 11.0132 11.0134 12.9546 12.9549 k = 0.0000 0.5054 0.4987 ( 3340 PWs) bands (ev): -47.5309 -47.5309 -22.3096 -22.3096 -19.5828 -19.5828 -19.4183 -19.4183 -19.3845 -19.3845 -17.6916 -17.6916 -7.7850 -7.7850 -4.7827 -4.7827 -4.4863 -4.4863 -4.0351 -4.0351 -0.3593 -0.3593 1.1060 1.1060 1.9837 1.9837 4.6666 4.6666 10.7095 10.7095 11.0126 11.0126 12.9539 12.9539 k = 0.0000 0.5054 0.4987 ( 3340 PWs) bands (ev): -47.5309 -47.5309 -22.3096 -22.3096 -19.5828 -19.5828 -19.4183 -19.4183 -19.3845 -19.3845 -17.6916 -17.6916 -7.7850 -7.7850 -4.7827 -4.7827 -4.4863 -4.4863 -4.0351 -4.0351 -0.3593 -0.3593 1.1060 1.1060 1.9837 1.9837 4.6666 4.6666 10.7095 10.7095 11.0126 11.0126 12.9539 12.9539 k = 0.0104 0.5114 0.4927 ( 3348 PWs) bands (ev): -47.5309 -47.5309 -22.3096 -22.3096 -19.5830 -19.5827 -19.4183 -19.4183 -19.3847 -19.3844 -17.6916 -17.6916 -7.7851 -7.7851 -4.7826 -4.7824 -4.4862 -4.4862 -4.0352 -4.0350 -0.3591 -0.3590 1.1060 1.1061 1.9835 1.9835 4.6668 4.6668 10.7102 10.7102 11.0129 11.0131 12.9527 12.9528 k = 0.0207 0.5173 0.4867 ( 3354 PWs) bands (ev): -47.5309 -47.5309 -22.3095 -22.3095 -19.5832 -19.5826 -19.4184 -19.4183 -19.3849 -19.3844 -17.6917 -17.6917 -7.7856 -7.7855 -4.7824 -4.7820 -4.4859 -4.4858 -4.0353 -4.0348 -0.3582 -0.3580 1.1062 1.1064 1.9830 1.9831 4.6673 4.6675 10.7120 10.7121 11.0140 11.0143 12.9492 12.9494 k = 0.0311 0.5232 0.4807 ( 3354 PWs) bands (ev): -47.5309 -47.5309 -22.3093 -22.3093 -19.5835 -19.5825 -19.4185 -19.4184 -19.3852 -19.3844 -17.6918 -17.6918 -7.7863 -7.7862 -4.7819 -4.7813 -4.4853 -4.4852 -4.0353 -4.0345 -0.3567 -0.3564 1.1066 1.1069 1.9822 1.9824 4.6683 4.6685 10.7152 10.7152 11.0159 11.0163 12.9434 12.9438 k = 0.0415 0.5291 0.4747 ( 3348 PWs) bands (ev): -47.5309 -47.5309 -22.3091 -22.3090 -19.5837 -19.5825 -19.4186 -19.4185 -19.3855 -19.3845 -17.6920 -17.6920 -7.7873 -7.7872 -4.7811 -4.7803 -4.4844 -4.4843 -4.0352 -4.0342 -0.3546 -0.3541 1.1071 1.1076 1.9812 1.9814 4.6697 4.6700 10.7195 10.7196 11.0185 11.0190 12.9354 12.9359 k = 0.0518 0.5351 0.4687 ( 3343 PWs) bands (ev): -47.5309 -47.5309 -22.3088 -22.3087 -19.5840 -19.5824 -19.4187 -19.4186 -19.3859 -19.3846 -17.6921 -17.6921 -7.7886 -7.7884 -4.7801 -4.7791 -4.4834 -4.4832 -4.0352 -4.0339 -0.3518 -0.3512 1.1079 1.1085 1.9800 1.9801 4.6716 4.6720 10.7251 10.7252 11.0218 11.0225 12.9252 12.9258 k = 0.0622 0.5410 0.4627 ( 3345 PWs) bands (ev): -47.5309 -47.5309 -22.3084 -22.3083 -19.5843 -19.5825 -19.4189 -19.4187 -19.3864 -19.3848 -17.6924 -17.6924 -7.7902 -7.7900 -4.7788 -4.7777 -4.4821 -4.4819 -4.0351 -4.0336 -0.3485 -0.3478 1.1088 1.1095 1.9784 1.9786 4.6739 4.6743 10.7318 10.7319 11.0258 11.0267 12.9127 12.9135 k = 0.0725 0.5469 0.4567 ( 3343 PWs) bands (ev): -47.5309 -47.5309 -22.3080 -22.3078 -19.5847 -19.5826 -19.4190 -19.4189 -19.3869 -19.3851 -17.6927 -17.6927 -7.7920 -7.7918 -4.7773 -4.7760 -4.4806 -4.4804 -4.0350 -4.0333 -0.3445 -0.3437 1.1099 1.1107 1.9766 1.9769 4.6766 4.6772 10.7397 10.7398 11.0305 11.0315 12.8980 12.8989 k = 0.0829 0.5528 0.4507 ( 3343 PWs) bands (ev): -47.5309 -47.5309 -22.3075 -22.3073 -19.5851 -19.5827 -19.4192 -19.4191 -19.3875 -19.3854 -17.6930 -17.6930 -7.7941 -7.7939 -4.7755 -4.7740 -4.4789 -4.4787 -4.0349 -4.0330 -0.3400 -0.3391 1.1111 1.1120 1.9746 1.9749 4.6798 4.6804 10.7487 10.7488 11.0358 11.0370 12.8812 12.8823 k = 0.0933 0.5588 0.4447 ( 3338 PWs) bands (ev): -47.5309 -47.5309 -22.3069 -22.3068 -19.5855 -19.5828 -19.4195 -19.4193 -19.3881 -19.3857 -17.6933 -17.6933 -7.7965 -7.7962 -4.7734 -4.7717 -4.4770 -4.4768 -4.0349 -4.0327 -0.3349 -0.3339 1.1126 1.1136 1.9725 1.9728 4.6835 4.6841 10.7587 10.7588 11.0417 11.0430 12.8623 12.8635 k = 0.1036 0.5647 0.4387 ( 3340 PWs) bands (ev): -47.5309 -47.5309 -22.3063 -22.3061 -19.5859 -19.5830 -19.4197 -19.4196 -19.3887 -19.3860 -17.6937 -17.6937 -7.7991 -7.7988 -4.7710 -4.7692 -4.4749 -4.4746 -4.0348 -4.0324 -0.3293 -0.3282 1.1142 1.1153 1.9701 1.9705 4.6876 4.6883 10.7697 10.7698 11.0481 11.0495 12.8413 12.8426 k = 0.1140 0.5706 0.4327 ( 3338 PWs) bands (ev): -47.5309 -47.5309 -22.3057 -22.3055 -19.5864 -19.5832 -19.4200 -19.4199 -19.3894 -19.3865 -17.6941 -17.6941 -7.8019 -7.8016 -4.7683 -4.7663 -4.4726 -4.4724 -4.0349 -4.0323 -0.3231 -0.3219 1.1160 1.1173 1.9677 1.9680 4.6922 4.6930 10.7815 10.7817 11.0550 11.0565 12.8182 12.8197 k = 0.1244 0.5765 0.4267 ( 3337 PWs) bands (ev): -47.5309 -47.5309 -22.3050 -22.3048 -19.5868 -19.5834 -19.4202 -19.4202 -19.3901 -19.3869 -17.6946 -17.6946 -7.8050 -7.8047 -4.7653 -4.7632 -4.4702 -4.4699 -4.0350 -4.0322 -0.3164 -0.3151 1.1181 1.1194 1.9651 1.9655 4.6972 4.6981 10.7942 10.7945 11.0623 11.0639 12.7932 12.7948 k = 0.1347 0.5825 0.4207 ( 3340 PWs) bands (ev): -47.5309 -47.5309 -22.3042 -22.3040 -19.5874 -19.5837 -19.4206 -19.4205 -19.3909 -19.3874 -17.6951 -17.6951 -7.8083 -7.8079 -4.7620 -4.7598 -4.4676 -4.4673 -4.0353 -4.0323 -0.3093 -0.3079 1.1202 1.1216 1.9624 1.9629 4.7028 4.7037 10.8076 10.8079 11.0700 11.0717 12.7660 12.7678 k = 0.1451 0.5884 0.4147 ( 3339 PWs) bands (ev): -47.5309 -47.5309 -22.3035 -22.3033 -19.5879 -19.5840 -19.4210 -19.4208 -19.3917 -19.3879 -17.6956 -17.6956 -7.8119 -7.8114 -4.7584 -4.7560 -4.4649 -4.4646 -4.0356 -4.0324 -0.3017 -0.3002 1.1226 1.1241 1.9597 1.9602 4.7089 4.7099 10.8216 10.8219 11.0781 11.0798 12.7369 12.7388 k = 0.1554 0.5943 0.4087 ( 3337 PWs) bands (ev): -47.5309 -47.5309 -22.3027 -22.3025 -19.5884 -19.5843 -19.4214 -19.4211 -19.3925 -19.3884 -17.6961 -17.6961 -7.8156 -7.8151 -4.7544 -4.7519 -4.4621 -4.4618 -4.0361 -4.0327 -0.2937 -0.2921 1.1252 1.1268 1.9570 1.9575 4.7156 4.7166 10.8361 10.8365 11.0865 11.0883 12.7058 12.7079 k = 0.1658 0.6002 0.4027 ( 3341 PWs) bands (ev): -47.5309 -47.5309 -22.3019 -22.3016 -19.5889 -19.5847 -19.4219 -19.4215 -19.3933 -19.3889 -17.6967 -17.6966 -7.8195 -7.8190 -4.7502 -4.7475 -4.4592 -4.4588 -4.0367 -4.0332 -0.2853 -0.2836 1.1279 1.1296 1.9542 1.9548 4.7227 4.7238 10.8508 10.8513 11.0952 11.0970 12.6728 12.6749 k = 0.1762 0.6061 0.3967 ( 3343 PWs) bands (ev): -47.5310 -47.5310 -22.3011 -22.3008 -19.5895 -19.5850 -19.4223 -19.4218 -19.3941 -19.3894 -17.6972 -17.6972 -7.8236 -7.8231 -4.7455 -4.7428 -4.4562 -4.4558 -4.0374 -4.0338 -0.2765 -0.2748 1.1308 1.1326 1.9515 1.9521 4.7304 4.7315 10.8656 10.8662 11.1043 11.1062 12.6377 12.6400 k = 0.1865 0.6121 0.3906 ( 3337 PWs) bands (ev): -47.5310 -47.5310 -22.3002 -22.3000 -19.5900 -19.5854 -19.4228 -19.4221 -19.3949 -19.3899 -17.6978 -17.6978 -7.8278 -7.8273 -4.7405 -4.7377 -4.4531 -4.4528 -4.0384 -4.0345 -0.2674 -0.2656 1.1339 1.1358 1.9488 1.9494 4.7386 4.7398 10.8803 10.8810 11.1139 11.1156 12.6007 12.6030 k = 0.1969 0.6180 0.3846 ( 3339 PWs) bands (ev): -47.5310 -47.5310 -22.2994 -22.2991 -19.5906 -19.5858 -19.4233 -19.4225 -19.3957 -19.3905 -17.6984 -17.6983 -7.8322 -7.8317 -4.7352 -4.7323 -4.4501 -4.4497 -4.0395 -4.0355 -0.2580 -0.2561 1.1372 1.1391 1.9462 1.9468 4.7474 4.7486 10.8946 10.8955 11.1239 11.1256 12.5616 12.5641 k = 0.2073 0.6239 0.3786 ( 3335 PWs) bands (ev): -47.5310 -47.5310 -22.2986 -22.2983 -19.5911 -19.5863 -19.4238 -19.4228 -19.3965 -19.3910 -17.6989 -17.6989 -7.8368 -7.8362 -4.7296 -4.7265 -4.4469 -4.4465 -4.0407 -4.0366 -0.2483 -0.2463 1.1406 1.1426 1.9437 1.9444 4.7567 4.7580 10.9081 10.9092 11.1347 11.1362 12.5206 12.5231 k = 0.2176 0.6298 0.3726 ( 3341 PWs) bands (ev): -47.5310 -47.5310 -22.2978 -22.2975 -19.5917 -19.5867 -19.4244 -19.4232 -19.3973 -19.3915 -17.6995 -17.6995 -7.8414 -7.8409 -4.7236 -4.7204 -4.4438 -4.4434 -4.0422 -4.0380 -0.2383 -0.2363 1.1441 1.1462 1.9413 1.9420 4.7665 4.7678 10.9206 10.9220 11.1461 11.1475 12.4776 12.4802 k = 0.2280 0.6358 0.3666 ( 3345 PWs) bands (ev): -47.5310 -47.5310 -22.2970 -22.2967 -19.5923 -19.5872 -19.4250 -19.4236 -19.3981 -19.3920 -17.7001 -17.7001 -7.8462 -7.8456 -4.7172 -4.7140 -4.4407 -4.4403 -4.0438 -4.0395 -0.2282 -0.2261 1.1478 1.1500 1.9390 1.9397 4.7769 4.7782 10.9317 10.9334 11.1585 11.1596 12.4328 12.4353 k = 0.2383 0.6417 0.3606 ( 3345 PWs) bands (ev): -47.5310 -47.5310 -22.2962 -22.2959 -19.5928 -19.5877 -19.4255 -19.4240 -19.3988 -19.3925 -17.7007 -17.7007 -7.8511 -7.8505 -4.7106 -4.7073 -4.4377 -4.4372 -4.0456 -4.0412 -0.2179 -0.2157 1.1516 1.1539 1.9369 1.9376 4.7877 4.7891 10.9412 10.9431 11.1718 11.1726 12.3861 12.3886 k = 0.2487 0.6476 0.3546 ( 3347 PWs) bands (ev): -47.5310 -47.5310 -22.2955 -22.2952 -19.5934 -19.5882 -19.4261 -19.4244 -19.3994 -19.3929 -17.7012 -17.7012 -7.8560 -7.8554 -4.7036 -4.7002 -4.4347 -4.4342 -4.0475 -4.0431 -0.2075 -0.2052 1.1556 1.1579 1.9349 1.9357 4.7990 4.8004 10.9486 10.9508 11.1861 11.1866 12.3377 12.3402 k = 0.2591 0.6535 0.3486 ( 3351 PWs) bands (ev): -47.5311 -47.5311 -22.2948 -22.2945 -19.5939 -19.5887 -19.4267 -19.4248 -19.4001 -19.3933 -17.7018 -17.7018 -7.8610 -7.8604 -4.6963 -4.6929 -4.4317 -4.4313 -4.0497 -4.0452 -0.1970 -0.1946 1.1596 1.1619 1.9331 1.9339 4.8108 4.8123 10.9540 10.9564 11.2013 11.2015 12.2879 12.2904 k = 0.2694 0.6595 0.3426 ( 3351 PWs) bands (ev): -47.5311 -47.5311 -22.2942 -22.2938 -19.5944 -19.5892 -19.4273 -19.4252 -19.4006 -19.3937 -17.7023 -17.7023 -7.8660 -7.8654 -4.6886 -4.6852 -4.4289 -4.4284 -4.0519 -4.0474 -0.1863 -0.1840 1.1637 1.1661 1.9315 1.9322 4.8231 4.8245 10.9571 10.9598 11.2168 11.2169 12.2371 12.2395 k = 0.2798 0.6654 0.3366 ( 3351 PWs) bands (ev): -47.5311 -47.5311 -22.2936 -22.2932 -19.5949 -19.5897 -19.4279 -19.4257 -19.4011 -19.3940 -17.7028 -17.7028 -7.8710 -7.8704 -4.6807 -4.6772 -4.4261 -4.4257 -4.0543 -4.0497 -0.1757 -0.1733 1.1678 1.1702 1.9300 1.9308 4.8358 4.8372 10.9579 10.9608 11.2322 11.2326 12.1858 12.1880 k = 0.2902 0.6713 0.3306 ( 3347 PWs) bands (ev): -47.5311 -47.5311 -22.2930 -22.2927 -19.5954 -19.5901 -19.4285 -19.4261 -19.4015 -19.3942 -17.7033 -17.7033 -7.8761 -7.8754 -4.6725 -4.6690 -4.4235 -4.4230 -4.0568 -4.0522 -0.1650 -0.1626 1.1720 1.1744 1.9287 1.9295 4.8488 4.8503 10.9566 10.9597 11.2469 11.2476 12.1347 12.1368 k = 0.3005 0.6772 0.3246 ( 3351 PWs) bands (ev): -47.5311 -47.5311 -22.2926 -22.2922 -19.5959 -19.5906 -19.4290 -19.4265 -19.4019 -19.3945 -17.7037 -17.7037 -7.8811 -7.8805 -4.6640 -4.6605 -4.4211 -4.4206 -4.0594 -4.0548 -0.1543 -0.1519 1.1761 1.1786 1.9275 1.9283 4.8622 4.8636 10.9531 10.9563 11.2600 11.2609 12.0848 12.0867 k = 0.3109 0.6832 0.3186 ( 3350 PWs) bands (ev): -47.5311 -47.5311 -22.2922 -22.2918 -19.5963 -19.5911 -19.4296 -19.4269 -19.4022 -19.3947 -17.7042 -17.7042 -7.8862 -7.8855 -4.6552 -4.6517 -4.4188 -4.4183 -4.0622 -4.0575 -0.1437 -0.1412 1.1802 1.1827 1.9265 1.9273 4.8759 4.8774 10.9477 10.9509 11.2701 11.2712 12.0377 12.0394 k = 0.3212 0.6891 0.3126 ( 3352 PWs) bands (ev): -47.5312 -47.5312 -22.2918 -22.2915 -19.5967 -19.5916 -19.4301 -19.4273 -19.4024 -19.3949 -17.7045 -17.7045 -7.8911 -7.8904 -4.6462 -4.6427 -4.4166 -4.4162 -4.0649 -4.0603 -0.1332 -0.1307 1.1843 1.1868 1.9256 1.9265 4.8899 4.8913 10.9403 10.9435 11.2756 11.2769 11.9949 11.9964 k = 0.3316 0.6950 0.3066 ( 3351 PWs) bands (ev): -47.5312 -47.5312 -22.2916 -22.2913 -19.5971 -19.5920 -19.4306 -19.4278 -19.4025 -19.3950 -17.7049 -17.7049 -7.8960 -7.8953 -4.6370 -4.6334 -4.4147 -4.4142 -4.0678 -4.0631 -0.1228 -0.1203 1.1882 1.1907 1.9249 1.9258 4.9041 4.9055 10.9310 10.9342 11.2747 11.2760 11.9587 11.9600 k = 0.3420 0.7009 0.3006 ( 3355 PWs) bands (ev): -47.5312 -47.5312 -22.2914 -22.2911 -19.5975 -19.5925 -19.4311 -19.4282 -19.4026 -19.3951 -17.7052 -17.7052 -7.9008 -7.9001 -4.6275 -4.6239 -4.4130 -4.4125 -4.0706 -4.0660 -0.1125 -0.1100 1.1920 1.1945 1.9243 1.9252 4.9184 4.9198 10.9198 10.9229 11.2655 11.2669 11.9311 11.9323 k = 0.3523 0.7069 0.2946 ( 3355 PWs) bands (ev): -47.5312 -47.5312 -22.2913 -22.2910 -19.5978 -19.5929 -19.4316 -19.4286 -19.4026 -19.3951 -17.7054 -17.7054 -7.9055 -7.9048 -4.6178 -4.6143 -4.4115 -4.4110 -4.0735 -4.0689 -0.1023 -0.0998 1.1956 1.1981 1.9238 1.9247 4.9328 4.9342 10.9065 10.9095 11.2469 11.2482 11.9139 11.9150 k = 0.3523 0.7069 0.2946 ( 3355 PWs) bands (ev): -47.5312 -47.5312 -22.2913 -22.2910 -19.5978 -19.5929 -19.4316 -19.4286 -19.4026 -19.3951 -17.7054 -17.7054 -7.9055 -7.9048 -4.6178 -4.6143 -4.4115 -4.4110 -4.0735 -4.0689 -0.1023 -0.0998 1.1956 1.1981 1.9238 1.9247 4.9328 4.9342 10.9065 10.9095 11.2469 11.2482 11.9139 11.9150 k = 0.3578 0.7021 0.2837 ( 3347 PWs) bands (ev): -47.5313 -47.5313 -22.2913 -22.2910 -19.5983 -19.5936 -19.4324 -19.4293 -19.4025 -19.3951 -17.7058 -17.7058 -7.9139 -7.9132 -4.5997 -4.5962 -4.4090 -4.4086 -4.0787 -4.0742 -0.0839 -0.0814 1.2019 1.2044 1.9229 1.9238 4.9593 4.9607 10.8788 10.8814 11.2036 11.2046 11.8930 11.8939 k = 0.3633 0.6974 0.2728 ( 3341 PWs) bands (ev): -47.5313 -47.5313 -22.2913 -22.2910 -19.5988 -19.5943 -19.4331 -19.4300 -19.4023 -19.3950 -17.7062 -17.7062 -7.9222 -7.9216 -4.5812 -4.5778 -4.4067 -4.4062 -4.0839 -4.0796 -0.0653 -0.0628 1.2080 1.2105 1.9219 1.9228 4.9860 4.9873 10.8484 10.8506 11.1589 11.1595 11.8726 11.8734 k = 0.3687 0.6927 0.2619 ( 3325 PWs) bands (ev): -47.5313 -47.5313 -22.2913 -22.2910 -19.5993 -19.5950 -19.4339 -19.4307 -19.4021 -19.3949 -17.7065 -17.7065 -7.9304 -7.9298 -4.5624 -4.5590 -4.4045 -4.4040 -4.0891 -4.0848 -0.0465 -0.0440 1.2139 1.2163 1.9208 1.9217 5.0129 5.0142 10.8158 10.8176 11.1128 11.1131 11.8277 11.8310 k = 0.3742 0.6880 0.2509 ( 3325 PWs) bands (ev): -47.5313 -47.5313 -22.2914 -22.2911 -19.5999 -19.5958 -19.4346 -19.4314 -19.4019 -19.3949 -17.7068 -17.7068 -7.9385 -7.9379 -4.5434 -4.5401 -4.4024 -4.4019 -4.0943 -4.0901 -0.0277 -0.0252 1.2195 1.2219 1.9196 1.9205 5.0398 5.0410 10.7813 10.7828 11.0655 11.0655 11.7650 11.7682 k = 0.3797 0.6833 0.2400 ( 3325 PWs) bands (ev): -47.5314 -47.5314 -22.2915 -22.2912 -19.6005 -19.5966 -19.4354 -19.4322 -19.4016 -19.3948 -17.7071 -17.7071 -7.9464 -7.9458 -4.5243 -4.5210 -4.4004 -4.3999 -4.0995 -4.0953 -0.0089 -0.0065 1.2249 1.2273 1.9183 1.9191 5.0666 5.0678 10.7454 10.7465 11.0169 11.0172 11.7039 11.7070 k = 0.3851 0.6785 0.2291 ( 3321 PWs) bands (ev): -47.5314 -47.5314 -22.2916 -22.2914 -19.6011 -19.5974 -19.4361 -19.4329 -19.4013 -19.3947 -17.7073 -17.7073 -7.9541 -7.9535 -4.5051 -4.5019 -4.3985 -4.3981 -4.1045 -4.1005 0.0098 0.0122 1.2301 1.2324 1.9169 1.9177 5.0933 5.0944 10.7082 10.7090 10.9679 10.9685 11.6446 11.6476 k = 0.3906 0.6738 0.2182 ( 3320 PWs) bands (ev): -47.5315 -47.5315 -22.2918 -22.2915 -19.6017 -19.5982 -19.4368 -19.4337 -19.4010 -19.3946 -17.7075 -17.7075 -7.9617 -7.9611 -4.4860 -4.4828 -4.3967 -4.3963 -4.1095 -4.1055 0.0284 0.0307 1.2350 1.2373 1.9155 1.9163 5.1197 5.1208 10.6699 10.6703 10.9190 10.9199 11.5872 11.5900 k = 0.3961 0.6691 0.2073 ( 3316 PWs) bands (ev): -47.5315 -47.5315 -22.2920 -22.2917 -19.6023 -19.5989 -19.4374 -19.4344 -19.4006 -19.3945 -17.7077 -17.7077 -7.9690 -7.9684 -4.4671 -4.4639 -4.3951 -4.3947 -4.1144 -4.1105 0.0466 0.0489 1.2397 1.2419 1.9140 1.9148 5.1458 5.1468 10.6305 10.6306 10.8708 10.8719 11.5318 11.5345 k = 0.4016 0.6644 0.1964 ( 3328 PWs) bands (ev): -47.5315 -47.5315 -22.2922 -22.2919 -19.6030 -19.5998 -19.4381 -19.4351 -19.4004 -19.3945 -17.7079 -17.7079 -7.9761 -7.9755 -4.4484 -4.4452 -4.3936 -4.3931 -4.1192 -4.1154 0.0646 0.0668 1.2440 1.2462 1.9124 1.9133 5.1713 5.1723 10.5899 10.5901 10.8240 10.8253 11.4784 11.4810 k = 0.4070 0.6597 0.1855 ( 3328 PWs) bands (ev): -47.5316 -47.5316 -22.2924 -22.2921 -19.6036 -19.6006 -19.4387 -19.4358 -19.4000 -19.3944 -17.7080 -17.7080 -7.9829 -7.9823 -4.4300 -4.4268 -4.3921 -4.3916 -4.1238 -4.1201 0.0822 0.0843 1.2482 1.2504 1.9109 1.9117 5.1963 5.1972 10.5483 10.5487 10.7791 10.7805 11.4273 11.4297 k = 0.4125 0.6549 0.1746 ( 3324 PWs) bands (ev): -47.5316 -47.5316 -22.2926 -22.2924 -19.6041 -19.6013 -19.4393 -19.4365 -19.3996 -19.3943 -17.7081 -17.7081 -7.9894 -7.9889 -4.4122 -4.4090 -4.3907 -4.3902 -4.1283 -4.1246 0.0993 0.1013 1.2522 1.2542 1.9094 1.9102 5.2206 5.2215 10.5060 10.5066 10.7365 10.7381 11.3785 11.3807 k = 0.4180 0.6502 0.1637 ( 3326 PWs) bands (ev): -47.5317 -47.5317 -22.2928 -22.2926 -19.6047 -19.6021 -19.4398 -19.4371 -19.3992 -19.3942 -17.7082 -17.7082 -7.9956 -7.9951 -4.3956 -4.3924 -4.3885 -4.3881 -4.1327 -4.1290 0.1158 0.1178 1.2559 1.2579 1.9079 1.9086 5.2441 5.2449 10.4633 10.4640 10.6967 10.6983 11.3320 11.3342 k = 0.4234 0.6455 0.1527 ( 3330 PWs) bands (ev): -47.5317 -47.5317 -22.2930 -22.2928 -19.6053 -19.6028 -19.4403 -19.4378 -19.3989 -19.3941 -17.7083 -17.7083 -8.0015 -8.0010 -4.3888 -4.3887 -4.3770 -4.3744 -4.1368 -4.1332 0.1316 0.1335 1.2593 1.2612 1.9064 1.9071 5.2666 5.2674 10.4205 10.4213 10.6598 10.6614 11.2881 11.2901 k = 0.4289 0.6408 0.1418 ( 3326 PWs) bands (ev): -47.5317 -47.5317 -22.2933 -22.2931 -19.6058 -19.6035 -19.4408 -19.4383 -19.3985 -19.3941 -17.7084 -17.7084 -8.0071 -8.0066 -4.3875 -4.3874 -4.3612 -4.3584 -4.1407 -4.1372 0.1468 0.1486 1.2626 1.2644 1.9050 1.9057 5.2882 5.2890 10.3781 10.3789 10.6258 10.6274 11.2468 11.2486 k = 0.4344 0.6361 0.1309 ( 3322 PWs) bands (ev): -47.5318 -47.5318 -22.2935 -22.2933 -19.6062 -19.6042 -19.4412 -19.4389 -19.3981 -19.3940 -17.7084 -17.7084 -8.0123 -8.0119 -4.3865 -4.3863 -4.3459 -4.3430 -4.1444 -4.1410 0.1612 0.1629 1.2655 1.2672 1.9036 1.9043 5.3087 5.3094 10.3366 10.3374 10.5948 10.5963 11.2081 11.2098 k = 0.4398 0.6313 0.1200 ( 3326 PWs) bands (ev): -47.5318 -47.5318 -22.2937 -22.2935 -19.6067 -19.6049 -19.4415 -19.4394 -19.3977 -19.3939 -17.7085 -17.7085 -8.0172 -8.0168 -4.3856 -4.3854 -4.3315 -4.3286 -4.1479 -4.1446 0.1747 0.1763 1.2683 1.2698 1.9023 1.9029 5.3280 5.3286 10.2966 10.2973 10.5666 10.5680 11.1722 11.1738 k = 0.4453 0.6266 0.1091 ( 3322 PWs) bands (ev): -47.5318 -47.5318 -22.2939 -22.2938 -19.6071 -19.6054 -19.4419 -19.4399 -19.3973 -19.3939 -17.7085 -17.7085 -8.0216 -8.0213 -4.3847 -4.3846 -4.3179 -4.3151 -4.1512 -4.1479 0.1873 0.1888 1.2707 1.2722 1.9011 1.9016 5.3459 5.3465 10.2585 10.2592 10.5411 10.5424 11.1392 11.1406 k = 0.4508 0.6219 0.0982 ( 3318 PWs) bands (ev): -47.5318 -47.5318 -22.2941 -22.2940 -19.6075 -19.6060 -19.4421 -19.4404 -19.3969 -19.3938 -17.7086 -17.7085 -8.0257 -8.0254 -4.3840 -4.3838 -4.3053 -4.3026 -4.1542 -4.1511 0.1990 0.2003 1.2730 1.2744 1.8999 1.9004 5.3625 5.3630 10.2228 10.2234 10.5183 10.5194 11.1090 11.1103 k = 0.4562 0.6172 0.0873 ( 3318 PWs) bands (ev): -47.5319 -47.5319 -22.2943 -22.2942 -19.6079 -19.6065 -19.4424 -19.4408 -19.3966 -19.3938 -17.7086 -17.7086 -8.0294 -8.0291 -4.3834 -4.3832 -4.2938 -4.2912 -4.1569 -4.1539 0.2095 0.2108 1.2750 1.2762 1.8988 1.8993 5.3776 5.3780 10.1898 10.1903 10.4979 10.4989 11.0819 11.0830 k = 0.4617 0.6125 0.0764 ( 3306 PWs) bands (ev): -47.5319 -47.5319 -22.2944 -22.2943 -19.6081 -19.6069 -19.4425 -19.4411 -19.3962 -19.3938 -17.7086 -17.7086 -8.0327 -8.0324 -4.3828 -4.3826 -4.2835 -4.2810 -4.1594 -4.1565 0.2191 0.2202 1.2768 1.2779 1.8979 1.8983 5.3911 5.3915 10.1600 10.1604 10.4801 10.4810 11.0578 11.0588 k = 0.4672 0.6077 0.0655 ( 3310 PWs) bands (ev): -47.5319 -47.5319 -22.2946 -22.2945 -19.6084 -19.6074 -19.4427 -19.4415 -19.3959 -19.3938 -17.7086 -17.7086 -8.0355 -8.0353 -4.3823 -4.3822 -4.2743 -4.2720 -4.1615 -4.1589 0.2274 0.2283 1.2784 1.2793 1.8970 1.8974 5.4029 5.4033 10.1336 10.1340 10.4647 10.4655 11.0368 11.0376 k = 0.4727 0.6030 0.0546 ( 3314 PWs) bands (ev): -47.5319 -47.5319 -22.2947 -22.2946 -19.6086 -19.6078 -19.4428 -19.4418 -19.3957 -19.3939 -17.7086 -17.7086 -8.0380 -8.0378 -4.3819 -4.3818 -4.2664 -4.2643 -4.1633 -4.1610 0.2345 0.2353 1.2797 1.2805 1.8963 1.8966 5.4131 5.4133 10.1108 10.1112 10.4517 10.4523 11.0189 11.0197 k = 0.4781 0.5983 0.0436 ( 3314 PWs) bands (ev): -47.5319 -47.5319 -22.2948 -22.2947 -19.6088 -19.6081 -19.4429 -19.4421 -19.3954 -19.3940 -17.7086 -17.7086 -8.0400 -8.0398 -4.3815 -4.3814 -4.2598 -4.2580 -4.1648 -4.1628 0.2404 0.2410 1.2808 1.2814 1.8957 1.8960 5.4215 5.4217 10.0920 10.0922 10.4411 10.4416 11.0043 11.0049 k = 0.4836 0.5936 0.0327 ( 3314 PWs) bands (ev): -47.5319 -47.5319 -22.2949 -22.2948 -19.6089 -19.6084 -19.4430 -19.4423 -19.3951 -19.3941 -17.7086 -17.7086 -8.0415 -8.0414 -4.3813 -4.3812 -4.2545 -4.2530 -4.1659 -4.1643 0.2451 0.2455 1.2816 1.2821 1.8953 1.8954 5.4280 5.4282 10.0771 10.0773 10.4329 10.4333 10.9929 10.9933 k = 0.4891 0.5889 0.0218 ( 3314 PWs) bands (ev): -47.5319 -47.5319 -22.2949 -22.2949 -19.6089 -19.6086 -19.4430 -19.4425 -19.3949 -19.3942 -17.7086 -17.7086 -8.0426 -8.0425 -4.3811 -4.3810 -4.2506 -4.2496 -4.1666 -4.1655 0.2484 0.2488 1.2823 1.2826 1.8949 1.8951 5.4327 5.4329 10.0665 10.0666 10.4271 10.4273 10.9847 10.9850 k = 0.4945 0.5841 0.0109 ( 3310 PWs) bands (ev): -47.5319 -47.5319 -22.2950 -22.2949 -19.6089 -19.6088 -19.4429 -19.4427 -19.3947 -19.3943 -17.7086 -17.7086 -8.0433 -8.0432 -4.3809 -4.3809 -4.2481 -4.2476 -4.1669 -4.1664 0.2505 0.2507 1.2827 1.2829 1.8948 1.8948 5.4356 5.4357 10.0600 10.0601 10.4236 10.4237 10.9799 10.9800 k = 0.5000 0.5794-0.0000 ( 3312 PWs) bands (ev): -47.5319 -47.5319 -22.2950 -22.2950 -19.6089 -19.6089 -19.4428 -19.4428 -19.3945 -19.3945 -17.7086 -17.7086 -8.0435 -8.0435 -4.3809 -4.3809 -4.2471 -4.2471 -4.1668 -4.1668 0.2512 0.2512 1.2829 1.2829 1.8947 1.8947 5.4366 5.4366 10.0579 10.0579 10.4225 10.4225 10.9783 10.9783 k = 0.5000 0.5794-0.0000 ( 3312 PWs) bands (ev): -47.5319 -47.5319 -22.2950 -22.2950 -19.6089 -19.6089 -19.4428 -19.4428 -19.3945 -19.3945 -17.7086 -17.7086 -8.0435 -8.0435 -4.3809 -4.3809 -4.2471 -4.2471 -4.1668 -4.1668 0.2512 0.2512 1.2829 1.2829 1.8947 1.8947 5.4366 5.4366 10.0579 10.0579 10.4225 10.4225 10.9783 10.9783 k = 0.4912 0.5693-0.0000 ( 3306 PWs) bands (ev): -47.5319 -47.5319 -22.2950 -22.2950 -19.6088 -19.6088 -19.4428 -19.4428 -19.3944 -19.3944 -17.7086 -17.7086 -8.0433 -8.0433 -4.3811 -4.3811 -4.2469 -4.2469 -4.1668 -4.1668 0.2510 0.2510 1.2825 1.2825 1.8947 1.8947 5.4363 5.4363 10.0519 10.0519 10.4247 10.4247 10.9802 10.9802 k = 0.4825 0.5591-0.0000 ( 3310 PWs) bands (ev): -47.5319 -47.5319 -22.2953 -22.2953 -19.6087 -19.6087 -19.4427 -19.4427 -19.3944 -19.3944 -17.7084 -17.7084 -8.0428 -8.0428 -4.3818 -4.3818 -4.2464 -4.2464 -4.1669 -4.1669 0.2504 0.2504 1.2813 1.2813 1.8944 1.8944 5.4352 5.4352 10.0345 10.0345 10.4310 10.4310 10.9858 10.9858 k = 0.4737 0.5489-0.0000 ( 3314 PWs) bands (ev): -47.5319 -47.5319 -22.2957 -22.2957 -19.6086 -19.6086 -19.4425 -19.4425 -19.3943 -19.3943 -17.7082 -17.7082 -8.0421 -8.0421 -4.3829 -4.3829 -4.2455 -4.2455 -4.1669 -4.1669 0.2492 0.2492 1.2792 1.2792 1.8940 1.8940 5.4335 5.4335 10.0070 10.0070 10.4406 10.4406 10.9952 10.9952 k = 0.4649 0.5388-0.0000 ( 3316 PWs) bands (ev): -47.5319 -47.5319 -22.2962 -22.2962 -19.6084 -19.6084 -19.4423 -19.4423 -19.3941 -19.3941 -17.7079 -17.7079 -8.0410 -8.0410 -4.3844 -4.3844 -4.2443 -4.2443 -4.1670 -4.1670 0.2477 0.2477 1.2764 1.2764 1.8935 1.8935 5.4311 5.4311 9.9712 9.9712 10.4527 10.4527 11.0083 11.0083 k = 0.4561 0.5286-0.0000 ( 3320 PWs) bands (ev): -47.5320 -47.5320 -22.2969 -22.2969 -19.6081 -19.6081 -19.4421 -19.4421 -19.3939 -19.3939 -17.7075 -17.7075 -8.0396 -8.0396 -4.3864 -4.3864 -4.2427 -4.2427 -4.1670 -4.1670 0.2457 0.2457 1.2728 1.2728 1.8928 1.8928 5.4280 5.4280 9.9287 9.9287 10.4664 10.4664 11.0251 11.0251 k = 0.4474 0.5184-0.0000 ( 3324 PWs) bands (ev): -47.5320 -47.5320 -22.2977 -22.2977 -19.6078 -19.6078 -19.4417 -19.4417 -19.3936 -19.3936 -17.7069 -17.7069 -8.0379 -8.0379 -4.3888 -4.3888 -4.2408 -4.2408 -4.1671 -4.1671 0.2433 0.2433 1.2684 1.2684 1.8919 1.8919 5.4242 5.4242 9.8809 9.8809 10.4815 10.4815 11.0456 11.0456 k = 0.4386 0.5083-0.0000 ( 3324 PWs) bands (ev): -47.5320 -47.5320 -22.2987 -22.2987 -19.6074 -19.6074 -19.4414 -19.4414 -19.3933 -19.3933 -17.7063 -17.7063 -8.0358 -8.0358 -4.3916 -4.3916 -4.2385 -4.2385 -4.1673 -4.1673 0.2405 0.2405 1.2632 1.2632 1.8908 1.8908 5.4198 5.4198 9.8290 9.8290 10.4977 10.4977 11.0698 11.0698 k = 0.4298 0.4981-0.0000 ( 3320 PWs) bands (ev): -47.5320 -47.5320 -22.2997 -22.2997 -19.6069 -19.6069 -19.4409 -19.4409 -19.3929 -19.3929 -17.7056 -17.7056 -8.0335 -8.0335 -4.3948 -4.3948 -4.2359 -4.2359 -4.1674 -4.1674 0.2373 0.2373 1.2574 1.2574 1.8896 1.8896 5.4148 5.4148 9.7740 9.7740 10.5150 10.5150 11.0977 11.0977 k = 0.4211 0.4879-0.0000 ( 3324 PWs) bands (ev): -47.5320 -47.5320 -22.3010 -22.3010 -19.6064 -19.6064 -19.4404 -19.4404 -19.3925 -19.3925 -17.7049 -17.7049 -8.0308 -8.0308 -4.3984 -4.3984 -4.2330 -4.2330 -4.1676 -4.1676 0.2336 0.2336 1.2507 1.2507 1.8881 1.8881 5.4091 5.4091 9.7167 9.7167 10.5335 10.5335 11.1291 11.1291 k = 0.4123 0.4778-0.0000 ( 3328 PWs) bands (ev): -47.5320 -47.5320 -22.3023 -22.3023 -19.6059 -19.6059 -19.4399 -19.4399 -19.3921 -19.3921 -17.7040 -17.7040 -8.0277 -8.0277 -4.4025 -4.4025 -4.2297 -4.2297 -4.1678 -4.1678 0.2296 0.2296 1.2434 1.2434 1.8863 1.8863 5.4028 5.4028 9.6577 9.6577 10.5532 10.5532 11.1642 11.1642 k = 0.4035 0.4676-0.0000 ( 3332 PWs) bands (ev): -47.5320 -47.5320 -22.3038 -22.3038 -19.6053 -19.6053 -19.4393 -19.4393 -19.3917 -19.3917 -17.7030 -17.7030 -8.0243 -8.0243 -4.4069 -4.4069 -4.2262 -4.2262 -4.1680 -4.1680 0.2252 0.2252 1.2354 1.2354 1.8843 1.8843 5.3960 5.3960 9.5977 9.5977 10.5743 10.5743 11.2029 11.2029 k = 0.3947 0.4574-0.0000 ( 3324 PWs) bands (ev): -47.5320 -47.5320 -22.3053 -22.3053 -19.6046 -19.6046 -19.4387 -19.4387 -19.3911 -19.3911 -17.7020 -17.7020 -8.0206 -8.0206 -4.4116 -4.4116 -4.2223 -4.2223 -4.1683 -4.1683 0.2205 0.2205 1.2269 1.2269 1.8820 1.8820 5.3885 5.3885 9.5370 9.5370 10.5969 10.5969 11.2450 11.2450 k = 0.3860 0.4473-0.0000 ( 3320 PWs) bands (ev): -47.5320 -47.5320 -22.3070 -22.3070 -19.6039 -19.6039 -19.4380 -19.4380 -19.3906 -19.3906 -17.7009 -17.7009 -8.0165 -8.0165 -4.4167 -4.4167 -4.2182 -4.2182 -4.1686 -4.1686 0.2155 0.2155 1.2177 1.2177 1.8794 1.8794 5.3806 5.3806 9.4760 9.4760 10.6210 10.6210 11.2907 11.2907 k = 0.3772 0.4371-0.0000 ( 3320 PWs) bands (ev): -47.5320 -47.5320 -22.3087 -22.3087 -19.6032 -19.6032 -19.4373 -19.4373 -19.3900 -19.3900 -17.6996 -17.6996 -8.0120 -8.0120 -4.4222 -4.4222 -4.2138 -4.2138 -4.1689 -4.1689 0.2101 0.2101 1.2079 1.2079 1.8765 1.8765 5.3721 5.3721 9.4150 9.4150 10.6468 10.6468 11.3398 11.3398 k = 0.3684 0.4269-0.0000 ( 3312 PWs) bands (ev): -47.5320 -47.5320 -22.3105 -22.3105 -19.6024 -19.6024 -19.4366 -19.4366 -19.3895 -19.3895 -17.6984 -17.6984 -8.0072 -8.0072 -4.4279 -4.4279 -4.2091 -4.2091 -4.1693 -4.1693 0.2044 0.2044 1.1976 1.1976 1.8733 1.8733 5.3632 5.3632 9.3543 9.3543 10.6742 10.6742 11.3922 11.3922 k = 0.3596 0.4168-0.0000 ( 3306 PWs) bands (ev): -47.5320 -47.5320 -22.3124 -22.3124 -19.6016 -19.6016 -19.4359 -19.4359 -19.3889 -19.3889 -17.6970 -17.6970 -8.0019 -8.0019 -4.4340 -4.4340 -4.2042 -4.2042 -4.1697 -4.1697 0.1984 0.1984 1.1868 1.1868 1.8697 1.8697 5.3537 5.3537 9.2942 9.2942 10.7034 10.7034 11.4480 11.4480 k = 0.3509 0.4066-0.0000 ( 3306 PWs) bands (ev): -47.5320 -47.5320 -22.3144 -22.3144 -19.6008 -19.6008 -19.4351 -19.4351 -19.3883 -19.3883 -17.6956 -17.6956 -7.9964 -7.9964 -4.4404 -4.4404 -4.1992 -4.1992 -4.1701 -4.1701 0.1921 0.1921 1.1755 1.1755 1.8657 1.8657 5.3439 5.3439 9.2347 9.2347 10.7345 10.7345 11.5071 11.5071 k = 0.3421 0.3964-0.0000 ( 3310 PWs) bands (ev): -47.5320 -47.5320 -22.3164 -22.3164 -19.6001 -19.6001 -19.4344 -19.4344 -19.3878 -19.3878 -17.6941 -17.6941 -7.9904 -7.9904 -4.4470 -4.4470 -4.1940 -4.1940 -4.1705 -4.1705 0.1856 0.1856 1.1638 1.1638 1.8613 1.8613 5.3336 5.3336 9.1761 9.1761 10.7674 10.7674 11.5693 11.5693 k = 0.3333 0.3863-0.0000 ( 3316 PWs) bands (ev): -47.5321 -47.5321 -22.3184 -22.3184 -19.5993 -19.5993 -19.4337 -19.4337 -19.3873 -19.3873 -17.6925 -17.6925 -7.9841 -7.9841 -4.4539 -4.4539 -4.1888 -4.1888 -4.1708 -4.1708 0.1788 0.1788 1.1517 1.1517 1.8565 1.8565 5.3229 5.3229 9.1186 9.1186 10.8022 10.8022 11.6348 11.6348 k = 0.3246 0.3761-0.0000 ( 3328 PWs) bands (ev): -47.5321 -47.5321 -22.3205 -22.3205 -19.5985 -19.5985 -19.4330 -19.4330 -19.3868 -19.3868 -17.6909 -17.6909 -7.9774 -7.9774 -4.4611 -4.4611 -4.1839 -4.1839 -4.1706 -4.1706 0.1718 0.1718 1.1392 1.1392 1.8512 1.8512 5.3119 5.3119 9.0622 9.0622 10.8389 10.8389 11.7033 11.7033 k = 0.3158 0.3659-0.0000 ( 3330 PWs) bands (ev): -47.5321 -47.5321 -22.3226 -22.3226 -19.5977 -19.5977 -19.4322 -19.4322 -19.3863 -19.3863 -17.6892 -17.6892 -7.9704 -7.9704 -4.4684 -4.4684 -4.1800 -4.1800 -4.1693 -4.1693 0.1647 0.1647 1.1265 1.1265 1.8455 1.8455 5.3006 5.3006 9.0071 9.0071 10.8775 10.8775 11.7749 11.7749 k = 0.3070 0.3558-0.0000 ( 3336 PWs) bands (ev): -47.5321 -47.5321 -22.3247 -22.3247 -19.5969 -19.5969 -19.4315 -19.4315 -19.3859 -19.3859 -17.6875 -17.6875 -7.9630 -7.9630 -4.4759 -4.4759 -4.1782 -4.1782 -4.1658 -4.1658 0.1574 0.1574 1.1135 1.1135 1.8393 1.8393 5.2891 5.2891 8.9533 8.9533 10.9181 10.9181 11.8494 11.8494 k = 0.2982 0.3456-0.0000 ( 3340 PWs) bands (ev): -47.5321 -47.5321 -22.3268 -22.3268 -19.5961 -19.5961 -19.4307 -19.4307 -19.3855 -19.3855 -17.6857 -17.6857 -7.9552 -7.9552 -4.4836 -4.4836 -4.1780 -4.1780 -4.1607 -4.1607 0.1500 0.1500 1.1003 1.1003 1.8327 1.8327 5.2773 5.2773 8.9009 8.9009 10.9606 10.9606 11.9268 11.9268 k = 0.2895 0.3355-0.0000 ( 3336 PWs) bands (ev): -47.5321 -47.5321 -22.3289 -22.3289 -19.5953 -19.5953 -19.4300 -19.4300 -19.3851 -19.3851 -17.6839 -17.6839 -7.9471 -7.9471 -4.4914 -4.4914 -4.1785 -4.1785 -4.1547 -4.1547 0.1424 0.1424 1.0870 1.0870 1.8256 1.8256 5.2653 5.2653 8.8501 8.8501 11.0049 11.0049 12.0070 12.0070 k = 0.2807 0.3253-0.0000 ( 3340 PWs) bands (ev): -47.5322 -47.5322 -22.3310 -22.3310 -19.5945 -19.5945 -19.4292 -19.4292 -19.3847 -19.3847 -17.6820 -17.6820 -7.9387 -7.9387 -4.4993 -4.4993 -4.1794 -4.1794 -4.1484 -4.1484 0.1348 0.1348 1.0735 1.0735 1.8181 1.8181 5.2531 5.2531 8.8008 8.8008 11.0512 11.0512 12.0899 12.0899 k = 0.2719 0.3151-0.0000 ( 3344 PWs) bands (ev): -47.5322 -47.5322 -22.3331 -22.3331 -19.5937 -19.5937 -19.4285 -19.4285 -19.3844 -19.3844 -17.6801 -17.6801 -7.9300 -7.9300 -4.5073 -4.5073 -4.1804 -4.1804 -4.1419 -4.1419 0.1270 0.1270 1.0599 1.0599 1.8102 1.8102 5.2408 5.2408 8.7532 8.7532 11.0993 11.0993 12.1754 12.1754 k = 0.2632 0.3050-0.0000 ( 3344 PWs) bands (ev): -47.5322 -47.5322 -22.3352 -22.3352 -19.5930 -19.5930 -19.4278 -19.4278 -19.3842 -19.3842 -17.6782 -17.6782 -7.9210 -7.9210 -4.5154 -4.5154 -4.1816 -4.1816 -4.1353 -4.1353 0.1193 0.1193 1.0463 1.0463 1.8018 1.8018 5.2285 5.2285 8.7072 8.7072 11.1492 11.1492 12.2635 12.2635 k = 0.2544 0.2948-0.0000 ( 3344 PWs) bands (ev): -47.5322 -47.5322 -22.3372 -22.3372 -19.5922 -19.5922 -19.4270 -19.4270 -19.3840 -19.3840 -17.6762 -17.6762 -7.9117 -7.9117 -4.5236 -4.5236 -4.1829 -4.1829 -4.1286 -4.1286 0.1115 0.1115 1.0327 1.0327 1.7929 1.7929 5.2160 5.2160 8.6630 8.6630 11.2009 11.2009 12.3541 12.3541 k = 0.2456 0.2846-0.0000 ( 3340 PWs) bands (ev): -47.5322 -47.5322 -22.3392 -22.3392 -19.5915 -19.5915 -19.4263 -19.4263 -19.3838 -19.3838 -17.6742 -17.6742 -7.9022 -7.9022 -4.5317 -4.5317 -4.1842 -4.1842 -4.1218 -4.1218 0.1037 0.1037 1.0191 1.0191 1.7837 1.7837 5.2036 5.2036 8.6205 8.6205 11.2542 11.2542 12.4470 12.4470 k = 0.2368 0.2745-0.0000 ( 3348 PWs) bands (ev): -47.5322 -47.5322 -22.3411 -22.3411 -19.5908 -19.5908 -19.4257 -19.4257 -19.3837 -19.3837 -17.6722 -17.6722 -7.8925 -7.8925 -4.5399 -4.5399 -4.1856 -4.1856 -4.1150 -4.1150 0.0960 0.0960 1.0056 1.0056 1.7741 1.7741 5.1912 5.1912 8.5797 8.5797 11.3092 11.3092 12.5422 12.5422 k = 0.2281 0.2643-0.0000 ( 3364 PWs) bands (ev): -47.5323 -47.5323 -22.3430 -22.3430 -19.5903 -19.5903 -19.4251 -19.4251 -19.3838 -19.3838 -17.6702 -17.6702 -7.8827 -7.8827 -4.5480 -4.5480 -4.1871 -4.1871 -4.1082 -4.1082 0.0883 0.0883 0.9922 0.9922 1.7642 1.7642 5.1788 5.1788 8.5408 8.5408 11.3656 11.3656 12.6395 12.6395 k = 0.2193 0.2541-0.0000 ( 3364 PWs) bands (ev): -47.5323 -47.5323 -22.3448 -22.3448 -19.5896 -19.5896 -19.4244 -19.4244 -19.3837 -19.3837 -17.6682 -17.6682 -7.8726 -7.8726 -4.5561 -4.5561 -4.1886 -4.1886 -4.1014 -4.1014 0.0806 0.0806 0.9790 0.9790 1.7539 1.7539 5.1665 5.1665 8.5036 8.5036 11.4234 11.4234 12.7388 12.7388 k = 0.2105 0.2440-0.0000 ( 3358 PWs) bands (ev): -47.5323 -47.5323 -22.3466 -22.3466 -19.5890 -19.5890 -19.4238 -19.4238 -19.3837 -19.3837 -17.6662 -17.6662 -7.8625 -7.8625 -4.5641 -4.5641 -4.1902 -4.1902 -4.0946 -4.0946 0.0731 0.0731 0.9660 0.9660 1.7434 1.7434 5.1544 5.1544 8.4682 8.4682 11.4826 11.4826 12.8400 12.8400 k = 0.2018 0.2338-0.0000 ( 3358 PWs) bands (ev): -47.5323 -47.5323 -22.3483 -22.3483 -19.5885 -19.5885 -19.4231 -19.4231 -19.3838 -19.3838 -17.6643 -17.6643 -7.8523 -7.8523 -4.5720 -4.5720 -4.1918 -4.1918 -4.0879 -4.0879 0.0657 0.0657 0.9532 0.9532 1.7326 1.7326 5.1424 5.1424 8.4347 8.4347 11.5429 11.5429 12.9430 12.9430 k = 0.1930 0.2236-0.0000 ( 3358 PWs) bands (ev): -47.5323 -47.5323 -22.3500 -22.3500 -19.5880 -19.5880 -19.4225 -19.4225 -19.3839 -19.3839 -17.6623 -17.6623 -7.8420 -7.8420 -4.5797 -4.5797 -4.1934 -4.1934 -4.0814 -4.0814 0.0584 0.0584 0.9407 0.9407 1.7217 1.7217 5.1307 5.1307 8.4029 8.4029 11.6042 11.6042 13.0476 13.0476 k = 0.1842 0.2135-0.0000 ( 3354 PWs) bands (ev): -47.5323 -47.5323 -22.3515 -22.3515 -19.5874 -19.5874 -19.4219 -19.4219 -19.3841 -19.3841 -17.6604 -17.6604 -7.8318 -7.8318 -4.5873 -4.5873 -4.1950 -4.1950 -4.0749 -4.0749 0.0513 0.0513 0.9285 0.9285 1.7106 1.7106 5.1192 5.1192 8.3728 8.3728 11.6664 11.6664 13.1535 13.1535 k = 0.1754 0.2033-0.0000 ( 3358 PWs) bands (ev): -47.5323 -47.5323 -22.3530 -22.3530 -19.5870 -19.5870 -19.4214 -19.4214 -19.3843 -19.3843 -17.6585 -17.6585 -7.8216 -7.8216 -4.5948 -4.5948 -4.1966 -4.1966 -4.0685 -4.0685 0.0444 0.0444 0.9166 0.9166 1.6995 1.6995 5.1080 5.1080 8.3446 8.3446 11.7293 11.7293 13.2608 13.2608 k = 0.1667 0.1931-0.0000 ( 3358 PWs) bands (ev): -47.5323 -47.5323 -22.3544 -22.3544 -19.5866 -19.5866 -19.4209 -19.4209 -19.3846 -19.3846 -17.6566 -17.6566 -7.8115 -7.8115 -4.6020 -4.6020 -4.1982 -4.1982 -4.0623 -4.0623 0.0376 0.0376 0.9051 0.9051 1.6883 1.6883 5.0970 5.0970 8.3180 8.3180 11.7927 11.7927 13.3690 13.3690 k = 0.1579 0.1830-0.0000 ( 3356 PWs) bands (ev): -47.5324 -47.5324 -22.3558 -22.3558 -19.5862 -19.5862 -19.4204 -19.4204 -19.3848 -19.3848 -17.6548 -17.6548 -7.8016 -7.8016 -4.6091 -4.6091 -4.1998 -4.1998 -4.0563 -4.0563 0.0311 0.0311 0.8940 0.8940 1.6772 1.6772 5.0865 5.0865 8.2932 8.2932 11.8564 11.8564 13.4780 13.4780 k = 0.1491 0.1728-0.0000 ( 3360 PWs) bands (ev): -47.5324 -47.5324 -22.3571 -22.3571 -19.5859 -19.5859 -19.4199 -19.4199 -19.3852 -19.3852 -17.6531 -17.6531 -7.7919 -7.7919 -4.6159 -4.6159 -4.2014 -4.2014 -4.0505 -4.0505 0.0249 0.0249 0.8833 0.8833 1.6661 1.6661 5.0763 5.0763 8.2700 8.2700 11.9202 11.9202 13.5874 13.5874 k = 0.1404 0.1626-0.0000 ( 3353 PWs) bands (ev): -47.5324 -47.5324 -22.3583 -22.3583 -19.5855 -19.5855 -19.4194 -19.4194 -19.3854 -19.3854 -17.6514 -17.6514 -7.7823 -7.7823 -4.6224 -4.6224 -4.2030 -4.2030 -4.0449 -4.0449 0.0189 0.0189 0.8731 0.8731 1.6553 1.6553 5.0665 5.0665 8.2484 8.2484 11.9838 11.9838 13.6969 13.6969 k = 0.1316 0.1525-0.0000 ( 3351 PWs) bands (ev): -47.5324 -47.5324 -22.3594 -22.3594 -19.5852 -19.5852 -19.4190 -19.4190 -19.3857 -19.3857 -17.6497 -17.6497 -7.7731 -7.7731 -4.6286 -4.6286 -4.2045 -4.2045 -4.0395 -4.0395 0.0132 0.0132 0.8634 0.8634 1.6447 1.6447 5.0571 5.0571 8.2285 8.2285 12.0469 12.0469 13.8059 13.8059 k = 0.1228 0.1423-0.0000 ( 3351 PWs) bands (ev): -47.5324 -47.5324 -22.3604 -22.3604 -19.5850 -19.5850 -19.4186 -19.4186 -19.3861 -19.3861 -17.6482 -17.6482 -7.7642 -7.7642 -4.6345 -4.6345 -4.2059 -4.2059 -4.0344 -4.0344 0.0077 0.0077 0.8541 0.8541 1.6343 1.6343 5.0482 5.0482 8.2101 8.2101 12.1092 12.1092 13.9139 13.9139 k = 0.1140 0.1321-0.0000 ( 3353 PWs) bands (ev): -47.5324 -47.5324 -22.3614 -22.3614 -19.5848 -19.5848 -19.4183 -19.4183 -19.3864 -19.3864 -17.6467 -17.6467 -7.7557 -7.7557 -4.6401 -4.6401 -4.2073 -4.2073 -4.0295 -4.0295 0.0026 0.0026 0.8454 0.8454 1.6244 1.6244 5.0398 5.0398 8.1932 8.1932 12.1705 12.1705 14.0199 14.0199 k = 0.1053 0.1220-0.0000 ( 3363 PWs) bands (ev): -47.5324 -47.5324 -22.3623 -22.3623 -19.5846 -19.5846 -19.4180 -19.4180 -19.3868 -19.3868 -17.6453 -17.6453 -7.7476 -7.7476 -4.6454 -4.6454 -4.2087 -4.2087 -4.0250 -4.0250 -0.0023 -0.0023 0.8373 0.8373 1.6148 1.6148 5.0318 5.0318 8.1778 8.1778 12.2302 12.2302 14.1226 14.1226 k = 0.0965 0.1118-0.0000 ( 3359 PWs) bands (ev): -47.5324 -47.5324 -22.3631 -22.3631 -19.5845 -19.5845 -19.4176 -19.4176 -19.3871 -19.3871 -17.6440 -17.6440 -7.7400 -7.7400 -4.6503 -4.6503 -4.2099 -4.2099 -4.0207 -4.0207 -0.0067 -0.0067 0.8297 0.8297 1.6058 1.6058 5.0245 5.0245 8.1638 8.1638 12.2881 12.2881 14.1800 14.1800 k = 0.0877 0.1017-0.0000 ( 3359 PWs) bands (ev): -47.5324 -47.5324 -22.3638 -22.3638 -19.5843 -19.5843 -19.4174 -19.4174 -19.3874 -19.3874 -17.6428 -17.6428 -7.7328 -7.7328 -4.6549 -4.6549 -4.2111 -4.2111 -4.0168 -4.0168 -0.0109 -0.0109 0.8228 0.8228 1.5974 1.5974 5.0177 5.0177 8.1512 8.1512 12.3436 12.3436 14.1815 14.1815 k = 0.0789 0.0915-0.0000 ( 3349 PWs) bands (ev): -47.5324 -47.5324 -22.3645 -22.3645 -19.5841 -19.5841 -19.4171 -19.4171 -19.3876 -19.3876 -17.6417 -17.6417 -7.7263 -7.7263 -4.6590 -4.6590 -4.2121 -4.2121 -4.0132 -4.0132 -0.0146 -0.0146 0.8164 0.8164 1.5895 1.5895 5.0115 5.0115 8.1399 8.1399 12.3962 12.3962 14.1815 14.1815 k = 0.0702 0.0813-0.0000 ( 3345 PWs) bands (ev): -47.5324 -47.5324 -22.3651 -22.3651 -19.5840 -19.5840 -19.4168 -19.4168 -19.3879 -19.3879 -17.6407 -17.6407 -7.7203 -7.7203 -4.6627 -4.6627 -4.2131 -4.2131 -4.0099 -4.0099 -0.0180 -0.0180 0.8107 0.8107 1.5823 1.5823 5.0059 5.0059 8.1300 8.1300 12.4455 12.4455 14.1802 14.1802 k = 0.0614 0.0712-0.0000 ( 3341 PWs) bands (ev): -47.5324 -47.5324 -22.3656 -22.3656 -19.5839 -19.5839 -19.4166 -19.4166 -19.3881 -19.3881 -17.6398 -17.6398 -7.7149 -7.7149 -4.6661 -4.6661 -4.2140 -4.2140 -4.0070 -4.0070 -0.0210 -0.0210 0.8056 0.8056 1.5758 1.5758 5.0009 5.0009 8.1213 8.1213 12.4910 12.4910 14.1781 14.1781 k = 0.0526 0.0610-0.0000 ( 3339 PWs) bands (ev): -47.5324 -47.5324 -22.3660 -22.3660 -19.5838 -19.5838 -19.4165 -19.4165 -19.3883 -19.3883 -17.6390 -17.6390 -7.7102 -7.7102 -4.6690 -4.6690 -4.2148 -4.2148 -4.0045 -4.0045 -0.0237 -0.0237 0.8012 0.8012 1.5702 1.5702 4.9965 4.9965 8.1138 8.1138 12.5319 12.5319 14.1754 14.1754 k = 0.0439 0.0508-0.0000 ( 3335 PWs) bands (ev): -47.5324 -47.5324 -22.3664 -22.3664 -19.5838 -19.5838 -19.4163 -19.4163 -19.3885 -19.3885 -17.6383 -17.6383 -7.7061 -7.7061 -4.6715 -4.6715 -4.2154 -4.2154 -4.0023 -4.0023 -0.0259 -0.0259 0.7975 0.7975 1.5653 1.5653 4.9928 4.9928 8.1076 8.1076 12.5678 12.5678 14.1725 14.1725 k = 0.0351 0.0407-0.0000 ( 3339 PWs) bands (ev): -47.5324 -47.5324 -22.3667 -22.3667 -19.5837 -19.5837 -19.4162 -19.4162 -19.3887 -19.3887 -17.6377 -17.6377 -7.7028 -7.7028 -4.6735 -4.6735 -4.2160 -4.2160 -4.0006 -4.0006 -0.0278 -0.0278 0.7944 0.7944 1.5612 1.5612 4.9898 4.9898 8.1025 8.1025 12.5981 12.5981 14.1696 14.1696 k = 0.0263 0.0305-0.0000 ( 3343 PWs) bands (ev): -47.5324 -47.5324 -22.3670 -22.3670 -19.5837 -19.5837 -19.4161 -19.4161 -19.3888 -19.3888 -17.6373 -17.6373 -7.7002 -7.7002 -4.6751 -4.6751 -4.2164 -4.2164 -3.9992 -3.9992 -0.0292 -0.0292 0.7919 0.7919 1.5579 1.5579 4.9874 4.9874 8.0985 8.0985 12.6223 12.6223 14.1670 14.1670 k = 0.0175 0.0203-0.0000 ( 3343 PWs) bands (ev): -47.5324 -47.5324 -22.3671 -22.3671 -19.5837 -19.5837 -19.4161 -19.4161 -19.3889 -19.3889 -17.6370 -17.6370 -7.6983 -7.6983 -4.6763 -4.6763 -4.2167 -4.2167 -3.9982 -3.9982 -0.0302 -0.0302 0.7902 0.7902 1.5556 1.5556 4.9857 4.9857 8.0958 8.0958 12.6399 12.6399 14.1649 14.1649 k = 0.0088 0.0102-0.0000 ( 3351 PWs) bands (ev): -47.5325 -47.5325 -22.3672 -22.3672 -19.5837 -19.5837 -19.4161 -19.4161 -19.3890 -19.3890 -17.6368 -17.6368 -7.6971 -7.6971 -4.6770 -4.6770 -4.2170 -4.2170 -3.9976 -3.9976 -0.0309 -0.0309 0.7892 0.7892 1.5542 1.5542 4.9846 4.9846 8.0941 8.0941 12.6506 12.6506 14.1636 14.1636 k = 0.0000 0.0000 0.0000 ( 3345 PWs) bands (ev): -47.5324 -47.5324 -22.3673 -22.3673 -19.5837 -19.5837 -19.4160 -19.4160 -19.3890 -19.3890 -17.6367 -17.6367 -7.6968 -7.6968 -4.6772 -4.6772 -4.2170 -4.2170 -3.9974 -3.9974 -0.0311 -0.0311 0.7889 0.7889 1.5538 1.5538 4.9843 4.9843 8.0935 8.0935 12.6542 12.6542 14.1631 14.1631 k = 0.0000 0.0000 0.0000 ( 3345 PWs) bands (ev): -47.5324 -47.5324 -22.3673 -22.3673 -19.5837 -19.5837 -19.4160 -19.4160 -19.3890 -19.3890 -17.6367 -17.6367 -7.6968 -7.6968 -4.6772 -4.6772 -4.2170 -4.2170 -3.9974 -3.9974 -0.0311 -0.0311 0.7889 0.7889 1.5538 1.5538 4.9843 4.9843 8.0935 8.0935 12.6542 12.6542 14.1631 14.1631 k = 0.0085-0.0073 0.0074 ( 3345 PWs) bands (ev): -47.5324 -47.5324 -22.3672 -22.3672 -19.5837 -19.5836 -19.4160 -19.4159 -19.3890 -19.3890 -17.6370 -17.6370 -7.6964 -7.6964 -4.6798 -4.6791 -4.2151 -4.2142 -3.9976 -3.9976 -0.0309 -0.0309 0.7870 0.7876 1.5542 1.5551 4.9847 4.9847 8.0950 8.0952 12.6553 12.6558 14.1483 14.1485 k = 0.0170-0.0146 0.0148 ( 3337 PWs) bands (ev): -47.5324 -47.5324 -22.3671 -22.3671 -19.5835 -19.5834 -19.4159 -19.4157 -19.3890 -19.3890 -17.6377 -17.6376 -7.6952 -7.6951 -4.6869 -4.6853 -4.2086 -4.2069 -3.9982 -3.9981 -0.0304 -0.0304 0.7821 0.7833 1.5563 1.5581 4.9860 4.9860 8.0998 8.1002 12.6590 12.6600 14.1090 14.1095 k = 0.0254-0.0220 0.0223 ( 3341 PWs) bands (ev): -47.5324 -47.5324 -22.3669 -22.3669 -19.5834 -19.5832 -19.4157 -19.4154 -19.3891 -19.3890 -17.6390 -17.6388 -7.6932 -7.6931 -4.6978 -4.6956 -4.1980 -4.1955 -3.9991 -3.9991 -0.0296 -0.0296 0.7743 0.7759 1.5601 1.5626 4.9882 4.9882 8.1076 8.1083 12.6651 12.6667 14.0543 14.0551 k = 0.0339-0.0293 0.0297 ( 3351 PWs) bands (ev): -47.5324 -47.5324 -22.3667 -22.3666 -19.5832 -19.5830 -19.4154 -19.4150 -19.3892 -19.3891 -17.6406 -17.6404 -7.6905 -7.6904 -4.7120 -4.7093 -4.1839 -4.1808 -4.0005 -4.0004 -0.0284 -0.0284 0.7636 0.7657 1.5654 1.5688 4.9911 4.9911 8.1187 8.1195 12.6733 12.6755 13.9914 13.9924 k = 0.0424-0.0366 0.0371 ( 3357 PWs) bands (ev): -47.5325 -47.5325 -22.3663 -22.3663 -19.5829 -19.5827 -19.4150 -19.4146 -19.3892 -19.3892 -17.6428 -17.6425 -7.6871 -7.6870 -4.7286 -4.7255 -4.1670 -4.1633 -4.0022 -4.0021 -0.0270 -0.0269 0.7503 0.7529 1.5722 1.5763 4.9949 4.9949 8.1327 8.1338 12.6834 12.6861 13.9241 13.9255 k = 0.0509-0.0439 0.0445 ( 3357 PWs) bands (ev): -47.5324 -47.5324 -22.3659 -22.3658 -19.5825 -19.5824 -19.4145 -19.4141 -19.3893 -19.3893 -17.6453 -17.6450 -7.6831 -7.6830 -4.7471 -4.7436 -4.1480 -4.1438 -4.0043 -4.0042 -0.0251 -0.0251 0.7348 0.7378 1.5803 1.5851 4.9996 4.9996 8.1497 8.1510 12.6945 12.6980 13.8551 13.8568 k = 0.0594-0.0512 0.0519 ( 3359 PWs) bands (ev): -47.5324 -47.5324 -22.3654 -22.3653 -19.5820 -19.5820 -19.4138 -19.4134 -19.3894 -19.3894 -17.6482 -17.6479 -7.6785 -7.6784 -4.7668 -4.7631 -4.1275 -4.1230 -4.0067 -4.0066 -0.0230 -0.0230 0.7172 0.7205 1.5897 1.5951 5.0050 5.0050 8.1695 8.1710 12.7062 12.7103 13.7858 13.7879 k = 0.0678-0.0585 0.0593 ( 3359 PWs) bands (ev): -47.5324 -47.5324 -22.3648 -22.3648 -19.5815 -19.5815 -19.4131 -19.4128 -19.3895 -19.3895 -17.6516 -17.6512 -7.6734 -7.6733 -4.7872 -4.7833 -4.1060 -4.1012 -4.0094 -4.0094 -0.0205 -0.0205 0.6978 0.7015 1.6002 1.6062 5.0112 5.0112 8.1921 8.1937 12.7172 12.7221 13.7172 13.7198 k = 0.0763-0.0659 0.0668 ( 3359 PWs) bands (ev): -47.5324 -47.5324 -22.3642 -22.3641 -19.5811 -19.5809 -19.4123 -19.4120 -19.3896 -19.3896 -17.6552 -17.6548 -7.6680 -7.6679 -4.8078 -4.8038 -4.0841 -4.0789 -4.0125 -4.0124 -0.0177 -0.0177 0.6770 0.6809 1.6117 1.6182 5.0181 5.0181 8.2171 8.2190 12.7266 12.7322 13.6505 13.6534 k = 0.0848-0.0732 0.0742 ( 3361 PWs) bands (ev): -47.5324 -47.5324 -22.3635 -22.3634 -19.5806 -19.5803 -19.4114 -19.4113 -19.3897 -19.3897 -17.6592 -17.6587 -7.6623 -7.6622 -4.8283 -4.8241 -4.0621 -4.0567 -4.0158 -4.0156 -0.0147 -0.0146 0.6551 0.6593 1.6240 1.6310 5.0257 5.0258 8.2446 8.2466 12.7328 12.7392 13.5861 13.5895 k = 0.0933-0.0805 0.0816 ( 3365 PWs) bands (ev): -47.5324 -47.5324 -22.3627 -22.3625 -19.5802 -19.5796 -19.4105 -19.4104 -19.3899 -19.3899 -17.6634 -17.6630 -7.6565 -7.6564 -4.8482 -4.8440 -4.0410 -4.0353 -4.0188 -4.0186 -0.0113 -0.0112 0.6324 0.6367 1.6371 1.6445 5.0340 5.0341 8.2743 8.2765 12.7342 12.7414 13.5248 13.5284 k = 0.1018-0.0878 0.0890 ( 3363 PWs) bands (ev): -47.5324 -47.5324 -22.3618 -22.3617 -19.5797 -19.5789 -19.4096 -19.4094 -19.3900 -19.3900 -17.6679 -17.6674 -7.6507 -7.6506 -4.8674 -4.8631 -4.0276 -4.0257 -4.0144 -4.0107 -0.0076 -0.0075 0.6093 0.6138 1.6508 1.6586 5.0430 5.0430 8.3061 8.3084 12.7291 12.7370 13.4666 13.4704 k = 0.1102-0.0951 0.0964 ( 3363 PWs) bands (ev): -47.5324 -47.5324 -22.3608 -22.3607 -19.5793 -19.5781 -19.4088 -19.4083 -19.3902 -19.3901 -17.6726 -17.6721 -7.6450 -7.6449 -4.8855 -4.8812 -4.0297 -4.0292 -3.9958 -3.9906 -0.0035 -0.0035 0.5860 0.5906 1.6651 1.6732 5.0525 5.0525 8.3398 8.3422 12.7161 12.7245 13.4113 13.4150 k = 0.1187-0.1025 0.1038 ( 3365 PWs) bands (ev): -47.5324 -47.5324 -22.3598 -22.3597 -19.5789 -19.5774 -19.4080 -19.4072 -19.3903 -19.3902 -17.6774 -17.6769 -7.6395 -7.6394 -4.9023 -4.8980 -4.0339 -4.0336 -3.9761 -3.9707 0.0008 0.0008 0.5629 0.5676 1.6798 1.6883 5.0625 5.0626 8.3752 8.3777 12.6941 12.7027 13.3578 13.3611 k = 0.1272-0.1098 0.1113 ( 3365 PWs) bands (ev): -47.5324 -47.5324 -22.3587 -22.3586 -19.5785 -19.5766 -19.4072 -19.4060 -19.3905 -19.3904 -17.6823 -17.6819 -7.6345 -7.6344 -4.9177 -4.9133 -4.0387 -4.0385 -3.9573 -3.9516 0.0054 0.0054 0.5403 0.5451 1.6950 1.7037 5.0731 5.0731 8.4121 8.4148 12.6627 12.6714 13.3043 13.3070 k = 0.1357-0.1171 0.1187 ( 3361 PWs) bands (ev): -47.5324 -47.5324 -22.3575 -22.3574 -19.5782 -19.5759 -19.4065 -19.4049 -19.3907 -19.3905 -17.6873 -17.6869 -7.6300 -7.6299 -4.9314 -4.9270 -4.0438 -4.0436 -3.9396 -3.9338 0.0103 0.0104 0.5185 0.5233 1.7104 1.7194 5.0841 5.0841 8.4505 8.4532 12.6224 12.6308 13.2489 13.2509 k = 0.1442-0.1244 0.1261 ( 3361 PWs) bands (ev): -47.5324 -47.5324 -22.3563 -22.3561 -19.5780 -19.5751 -19.4059 -19.4038 -19.3908 -19.3906 -17.6923 -17.6919 -7.6262 -7.6261 -4.9432 -4.9389 -4.0492 -4.0490 -3.9231 -3.9173 0.0154 0.0155 0.4977 0.5027 1.7262 1.7354 5.0955 5.0956 8.4900 8.4928 12.5739 12.5819 13.1902 13.1914 k = 0.1527-0.1317 0.1335 ( 3361 PWs) bands (ev): -47.5324 -47.5324 -22.3550 -22.3548 -19.5778 -19.5744 -19.4053 -19.4027 -19.3910 -19.3907 -17.6973 -17.6969 -7.6231 -7.6231 -4.9532 -4.9489 -4.0547 -4.0546 -3.9082 -3.9023 0.0209 0.0209 0.4783 0.4833 1.7421 1.7516 5.1073 5.1073 8.5306 8.5335 12.5185 12.5259 13.1275 13.1279 k = 0.1611-0.1390 0.1409 ( 3357 PWs) bands (ev): -47.5323 -47.5323 -22.3536 -22.3534 -19.5777 -19.5737 -19.4048 -19.4017 -19.3911 -19.3907 -17.7023 -17.7019 -7.6210 -7.6210 -4.9610 -4.9568 -4.0605 -4.0604 -3.8948 -3.8888 0.0265 0.0266 0.4605 0.4657 1.7582 1.7678 5.1194 5.1194 8.5722 8.5752 12.4573 12.4641 13.0607 13.0609 k = 0.1696-0.1464 0.1483 ( 3359 PWs) bands (ev): -47.5323 -47.5323 -22.3522 -22.3520 -19.5777 -19.5731 -19.4045 -19.4009 -19.3913 -19.3907 -17.7071 -17.7067 -7.6199 -7.6199 -4.9668 -4.9626 -4.0665 -4.0664 -3.8830 -3.8770 0.0324 0.0325 0.4446 0.4498 1.7743 1.7841 5.1317 5.1317 8.6145 8.6175 12.3913 12.3975 12.9906 12.9914 k = 0.1781-0.1537 0.1558 ( 3359 PWs) bands (ev): -47.5323 -47.5323 -22.3507 -22.3505 -19.5778 -19.5725 -19.4043 -19.4001 -19.3914 -19.3907 -17.7117 -17.7115 -7.6200 -7.6200 -4.9702 -4.9661 -4.0726 -4.0725 -3.8729 -3.8670 0.0385 0.0386 0.4308 0.4360 1.7904 1.8004 5.1442 5.1443 8.6575 8.6605 12.3214 12.3270 12.9187 12.9200 k = 0.1866-0.1610 0.1632 ( 3355 PWs) bands (ev): -47.5323 -47.5323 -22.3491 -22.3489 -19.5779 -19.5719 -19.4043 -19.3995 -19.3914 -19.3906 -17.7162 -17.7160 -7.6213 -7.6213 -4.9715 -4.9674 -4.0788 -4.0788 -3.8646 -3.8587 0.0449 0.0450 0.4192 0.4245 1.8064 1.8166 5.1569 5.1570 8.7010 8.7041 12.2483 12.2533 12.8461 12.8478 k = 0.1951-0.1683 0.1706 ( 3359 PWs) bands (ev): -47.5323 -47.5323 -22.3475 -22.3473 -19.5781 -19.5714 -19.4045 -19.3992 -19.3915 -19.3905 -17.7204 -17.7203 -7.6239 -7.6238 -4.9704 -4.9663 -4.0852 -4.0851 -3.8582 -3.8522 0.0515 0.0515 0.4101 0.4155 1.8223 1.8327 5.1697 5.1697 8.7449 8.7480 12.1725 12.1770 12.7738 12.7759 k = 0.2035-0.1756 0.1780 ( 3353 PWs) bands (ev): -47.5323 -47.5323 -22.3459 -22.3456 -19.5784 -19.5710 -19.4048 -19.3989 -19.3915 -19.3903 -17.7244 -17.7243 -7.6277 -7.6276 -4.9670 -4.9630 -4.0917 -4.0916 -3.8535 -3.8476 0.0582 0.0583 0.4037 0.4092 1.8380 1.8485 5.1825 5.1826 8.7892 8.7923 12.0946 12.0986 12.7025 12.7048 k = 0.2120-0.1830 0.1854 ( 3357 PWs) bands (ev): -47.5323 -47.5323 -22.3441 -22.3439 -19.5789 -19.5707 -19.4054 -19.3989 -19.3915 -19.3901 -17.7281 -17.7280 -7.6330 -7.6328 -4.9613 -4.9574 -4.0982 -4.0982 -3.8507 -3.8448 0.0651 0.0652 0.3999 0.4055 1.8534 1.8641 5.1954 5.1954 8.8337 8.8368 12.0150 12.0185 12.6327 12.6353 k = 0.2205-0.1903 0.1928 ( 3351 PWs) bands (ev): -47.5323 -47.5323 -22.3424 -22.3421 -19.5794 -19.5704 -19.4061 -19.3989 -19.3915 -19.3898 -17.7315 -17.7314 -7.6395 -7.6394 -4.9534 -4.9495 -4.1048 -4.1048 -3.8496 -3.8437 0.0722 0.0722 0.3991 0.4048 1.8685 1.8793 5.2082 5.2082 8.8784 8.8815 11.9339 11.9371 12.5650 12.5678 k = 0.2290-0.1976 0.2003 ( 3355 PWs) bands (ev): -47.5323 -47.5323 -22.3406 -22.3403 -19.5800 -19.5703 -19.4069 -19.3992 -19.3915 -19.3897 -17.7346 -17.7344 -7.6475 -7.6473 -4.9434 -4.9396 -4.1115 -4.1114 -3.8503 -3.8445 0.0794 0.0794 0.4011 0.4069 1.8831 1.8941 5.2209 5.2209 8.9231 8.9262 11.8519 11.8547 12.4995 12.5024 k = 0.2375-0.2049 0.2077 ( 3359 PWs) bands (ev): -47.5322 -47.5322 -22.3387 -22.3384 -19.5807 -19.5703 -19.4080 -19.3996 -19.3916 -19.3896 -17.7373 -17.7370 -7.6567 -7.6565 -4.9313 -4.9276 -4.1182 -4.1181 -3.8528 -3.8470 0.0867 0.0868 0.4062 0.4121 1.8973 1.9084 5.2334 5.2335 8.9680 8.9710 11.7691 11.7717 12.4364 12.4395 k = 0.2459-0.2122 0.2151 ( 3359 PWs) bands (ev): -47.5322 -47.5322 -22.3368 -22.3365 -19.5815 -19.5703 -19.4092 -19.4001 -19.3916 -19.3895 -17.7396 -17.7393 -7.6672 -7.6669 -4.9173 -4.9136 -4.1248 -4.1247 -3.8569 -3.8512 0.0941 0.0942 0.4142 0.4202 1.9110 1.9221 5.2458 5.2458 9.0129 9.0158 11.6860 11.6883 12.3759 12.3791 k = 0.2544-0.2195 0.2225 ( 3343 PWs) bands (ev): -47.5322 -47.5322 -22.3349 -22.3346 -19.5823 -19.5704 -19.4105 -19.4006 -19.3916 -19.3894 -17.7416 -17.7412 -7.6788 -7.6785 -4.9014 -4.8978 -4.1314 -4.1313 -3.8625 -3.8569 0.1017 0.1017 0.4253 0.4314 1.9240 1.9353 5.2580 5.2581 9.0577 9.0606 11.6028 11.6049 12.3180 12.3212 k = 0.2629-0.2269 0.2299 ( 3351 PWs) bands (ev): -47.5322 -47.5322 -22.3330 -22.3326 -19.5833 -19.5707 -19.4120 -19.4014 -19.3916 -19.3895 -17.7431 -17.7427 -7.6916 -7.6913 -4.8839 -4.8803 -4.1380 -4.1379 -3.8696 -3.8641 0.1092 0.1092 0.4393 0.4455 1.9363 1.9477 5.2700 5.2700 9.1026 9.1054 11.5198 11.5217 12.2627 12.2658 k = 0.2714-0.2342 0.2373 ( 3345 PWs) bands (ev): -47.5322 -47.5322 -22.3310 -22.3307 -19.5843 -19.5711 -19.4136 -19.4022 -19.3917 -19.3896 -17.7443 -17.7437 -7.7053 -7.7050 -4.8649 -4.8613 -4.1445 -4.1445 -3.8781 -3.8726 0.1168 0.1168 0.4562 0.4626 1.9479 1.9593 5.2816 5.2816 9.1474 9.1502 11.4372 11.4390 12.2099 12.2130 k = 0.2799-0.2415 0.2448 ( 3347 PWs) bands (ev): -47.5322 -47.5322 -22.3291 -22.3287 -19.5855 -19.5716 -19.4153 -19.4032 -19.3918 -19.3897 -17.7451 -17.7444 -7.7200 -7.7196 -4.8445 -4.8410 -4.1510 -4.1510 -3.8878 -3.8825 0.1244 0.1244 0.4759 0.4824 1.9586 1.9701 5.2929 5.2929 9.1923 9.1949 11.3554 11.3571 12.1596 12.1626 k = 0.2883-0.2488 0.2522 ( 3343 PWs) bands (ev): -47.5322 -47.5322 -22.3271 -22.3267 -19.5866 -19.5722 -19.4171 -19.4043 -19.3919 -19.3899 -17.7454 -17.7448 -7.7354 -7.7351 -4.8230 -4.8195 -4.1574 -4.1573 -3.8987 -3.8934 0.1321 0.1321 0.4984 0.5051 1.9683 1.9799 5.3039 5.3039 9.2371 9.2397 11.2746 11.2761 12.1117 12.1146 k = 0.2968-0.2561 0.2596 ( 3343 PWs) bands (ev): -47.5321 -47.5321 -22.3251 -22.3248 -19.5879 -19.5730 -19.4190 -19.4055 -19.3920 -19.3902 -17.7455 -17.7447 -7.7516 -7.7512 -4.8004 -4.7970 -4.1636 -4.1636 -3.9105 -3.9053 0.1396 0.1396 0.5234 0.5303 1.9771 1.9888 5.3145 5.3145 9.2821 9.2845 11.1949 11.1964 12.0662 12.0689 k = 0.3053-0.2635 0.2670 ( 3343 PWs) bands (ev): -47.5321 -47.5321 -22.3231 -22.3228 -19.5892 -19.5739 -19.4209 -19.4068 -19.3921 -19.3905 -17.7451 -17.7443 -7.7683 -7.7678 -4.7771 -4.7737 -4.1698 -4.1697 -3.9232 -3.9181 0.1471 0.1471 0.5509 0.5579 1.9849 1.9966 5.3247 5.3247 9.3271 9.3294 11.1166 11.1180 12.0228 12.0254 k = 0.3138-0.2708 0.2744 ( 3343 PWs) bands (ev): -47.5321 -47.5321 -22.3212 -22.3208 -19.5906 -19.5749 -19.4229 -19.4083 -19.3923 -19.3908 -17.7444 -17.7436 -7.7854 -7.7849 -4.7531 -4.7498 -4.1757 -4.1756 -3.9365 -3.9315 0.1546 0.1546 0.5808 0.5879 1.9915 2.0033 5.3345 5.3345 9.3723 9.3745 11.0398 11.0413 11.9816 11.9840 k = 0.3223-0.2781 0.2818 ( 3343 PWs) bands (ev): -47.5321 -47.5321 -22.3193 -22.3189 -19.5920 -19.5761 -19.4249 -19.4098 -19.3924 -19.3911 -17.7434 -17.7425 -7.8027 -7.8023 -4.7287 -4.7254 -4.1815 -4.1815 -3.9505 -3.9456 0.1619 0.1619 0.6127 0.6200 1.9970 2.0087 5.3438 5.3439 9.4176 9.4197 10.9649 10.9663 11.9425 11.9446 k = 0.3307-0.2854 0.2893 ( 3345 PWs) bands (ev): -47.5321 -47.5321 -22.3174 -22.3170 -19.5934 -19.5774 -19.4269 -19.4115 -19.3926 -19.3914 -17.7422 -17.7412 -7.8203 -7.8199 -4.7040 -4.7008 -4.1872 -4.1871 -3.9649 -3.9601 0.1691 0.1691 0.6466 0.6540 2.0012 2.0130 5.3528 5.3528 9.4633 9.4652 10.8918 10.8932 11.9052 11.9071 k = 0.3392-0.2927 0.2967 ( 3337 PWs) bands (ev): -47.5321 -47.5321 -22.3155 -22.3151 -19.5949 -19.5787 -19.4288 -19.4132 -19.3927 -19.3917 -17.7406 -17.7397 -7.8379 -7.8375 -4.6793 -4.6760 -4.1926 -4.1925 -3.9795 -3.9748 0.1761 0.1761 0.6823 0.6898 2.0041 2.0159 5.3613 5.3613 9.5093 9.5111 10.8209 10.8223 11.8698 11.8713 k = 0.3477-0.3000 0.3041 ( 3339 PWs) bands (ev): -47.5321 -47.5321 -22.3136 -22.3133 -19.5963 -19.5803 -19.4308 -19.4150 -19.3929 -19.3919 -17.7389 -17.7379 -7.8554 -7.8550 -4.6546 -4.6514 -4.1979 -4.1978 -3.9944 -3.9898 0.1830 0.1830 0.7194 0.7271 2.0058 2.0176 5.3693 5.3693 9.5557 9.5573 10.7523 10.7537 11.8359 11.8371 k = 0.3562-0.3074 0.3115 ( 3343 PWs) bands (ev): -47.5321 -47.5321 -22.3119 -22.3115 -19.5978 -19.5819 -19.4326 -19.4169 -19.3930 -19.3922 -17.7370 -17.7360 -7.8727 -7.8723 -4.6302 -4.6270 -4.2029 -4.2028 -4.0092 -4.0047 0.1896 0.1897 0.7578 0.7656 2.0061 2.0178 5.3768 5.3768 9.6026 9.6040 10.6862 10.6876 11.8034 11.8042 k = 0.3647-0.3147 0.3189 ( 3343 PWs) bands (ev): -47.5321 -47.5321 -22.3101 -22.3098 -19.5993 -19.5836 -19.4344 -19.4188 -19.3932 -19.3925 -17.7349 -17.7339 -7.8897 -7.8893 -4.6062 -4.6031 -4.2077 -4.2076 -4.0240 -4.0196 0.1961 0.1961 0.7972 0.8051 2.0050 2.0166 5.3839 5.3839 9.6500 9.6513 10.6228 10.6242 11.7720 11.7724 k = 0.3732-0.3220 0.3263 ( 3344 PWs) bands (ev): -47.5320 -47.5320 -22.3085 -22.3082 -19.6007 -19.5854 -19.4361 -19.4207 -19.3933 -19.3927 -17.7327 -17.7317 -7.9063 -7.9059 -4.5828 -4.5797 -4.2123 -4.2122 -4.0385 -4.0343 0.2022 0.2023 0.8374 0.8454 2.0025 2.0141 5.3905 5.3905 9.6980 9.6991 10.5623 10.5637 11.7412 11.7414 k = 0.3816-0.3293 0.3338 ( 3340 PWs) bands (ev): -47.5320 -47.5320 -22.3069 -22.3066 -19.6021 -19.5872 -19.4376 -19.4226 -19.3935 -19.3930 -17.7304 -17.7294 -7.9223 -7.9219 -4.5601 -4.5570 -4.2166 -4.2165 -4.0528 -4.0486 0.2081 0.2082 0.8781 0.8862 1.9987 2.0101 5.3967 5.3967 9.7466 9.7475 10.5048 10.5063 11.7101 11.7108 k = 0.3901-0.3366 0.3412 ( 3332 PWs) bands (ev): -47.5320 -47.5320 -22.3053 -22.3051 -19.6033 -19.5891 -19.4389 -19.4245 -19.3936 -19.3932 -17.7281 -17.7271 -7.9376 -7.9372 -4.5382 -4.5352 -4.2207 -4.2206 -4.0665 -4.0625 0.2137 0.2138 0.9190 0.9271 1.9936 2.0048 5.4024 5.4024 9.7958 9.7965 10.4506 10.4522 11.6780 11.6794 k = 0.3986-0.3440 0.3486 ( 3332 PWs) bands (ev): -47.5320 -47.5320 -22.3039 -22.3036 -19.6046 -19.5910 -19.4402 -19.4264 -19.3937 -19.3934 -17.7257 -17.7248 -7.9522 -7.9519 -4.5173 -4.5143 -4.2245 -4.2244 -4.0798 -4.0759 0.2190 0.2190 0.9598 0.9678 1.9872 1.9982 5.4076 5.4076 9.8455 9.8460 10.4001 10.4017 11.6435 11.6456 k = 0.4071-0.3513 0.3560 ( 3336 PWs) bands (ev): -47.5320 -47.5320 -22.3026 -22.3023 -19.6058 -19.5930 -19.4413 -19.4282 -19.3939 -19.3936 -17.7234 -17.7226 -7.9660 -7.9657 -4.4975 -4.4946 -4.2281 -4.2280 -4.0925 -4.0887 0.2240 0.2240 1.0001 1.0081 1.9796 1.9903 5.4123 5.4123 9.8956 9.8958 10.3536 10.3553 11.6043 11.6072 k = 0.4156-0.3586 0.3634 ( 3332 PWs) bands (ev): -47.5320 -47.5320 -22.3013 -22.3011 -19.6068 -19.5949 -19.4422 -19.4300 -19.3940 -19.3937 -17.7212 -17.7204 -7.9789 -7.9785 -4.4789 -4.4761 -4.2313 -4.2312 -4.1044 -4.1008 0.2285 0.2286 1.0396 1.0474 1.9710 1.9814 5.4166 5.4167 9.9454 9.9455 10.3117 10.3135 11.5576 11.5611 k = 0.4240-0.3659 0.3709 ( 3324 PWs) bands (ev): -47.5320 -47.5320 -22.3001 -22.2999 -19.6077 -19.5967 -19.4430 -19.4317 -19.3941 -19.3939 -17.7191 -17.7183 -7.9907 -7.9904 -4.4616 -4.4589 -4.2343 -4.2342 -4.1155 -4.1122 0.2327 0.2328 1.0779 1.0855 1.9615 1.9715 5.4205 5.4205 9.9938 9.9943 10.2754 10.2775 11.5009 11.5044 k = 0.4325-0.3732 0.3783 ( 3320 PWs) bands (ev): -47.5320 -47.5320 -22.2991 -22.2989 -19.6085 -19.5985 -19.4436 -19.4334 -19.3942 -19.3940 -17.7171 -17.7164 -8.0015 -8.0013 -4.4458 -4.4432 -4.2370 -4.2368 -4.1258 -4.1227 0.2365 0.2366 1.1146 1.1219 1.9514 1.9608 5.4240 5.4240 10.0388 10.0398 10.2471 10.2495 11.4341 11.4373 k = 0.4410-0.3806 0.3857 ( 3320 PWs) bands (ev): -47.5320 -47.5320 -22.2981 -22.2980 -19.6091 -19.6003 -19.4441 -19.4349 -19.3942 -19.3941 -17.7152 -17.7146 -8.0112 -8.0109 -4.4314 -4.4290 -4.2393 -4.2392 -4.1351 -4.1322 0.2400 0.2400 1.1491 1.1560 1.9409 1.9497 5.4270 5.4270 10.0746 10.0762 10.2322 10.2351 11.3603 11.3630 k = 0.4495-0.3879 0.3931 ( 3322 PWs) bands (ev): -47.5320 -47.5320 -22.2973 -22.2972 -19.6096 -19.6020 -19.4444 -19.4364 -19.3943 -19.3942 -17.7136 -17.7131 -8.0197 -8.0195 -4.4187 -4.4164 -4.2414 -4.2413 -4.1434 -4.1408 0.2429 0.2429 1.1809 1.1873 1.9305 1.9385 5.4296 5.4296 10.0926 10.0943 10.2397 10.2425 11.2838 11.2858 k = 0.4580-0.3952 0.4005 ( 3320 PWs) bands (ev): -47.5320 -47.5320 -22.2966 -22.2965 -19.6099 -19.6035 -19.4445 -19.4378 -19.3944 -19.3943 -17.7121 -17.7117 -8.0269 -8.0267 -4.4076 -4.4056 -4.2432 -4.2431 -4.1506 -4.1483 0.2455 0.2455 1.2096 1.2153 1.9205 1.9276 5.4317 5.4317 10.0922 10.0934 10.2696 10.2719 11.2083 11.2099 k = 0.4664-0.4025 0.4079 ( 3316 PWs) bands (ev): -47.5319 -47.5319 -22.2960 -22.2959 -19.6101 -19.6049 -19.4444 -19.4391 -19.3944 -19.3944 -17.7109 -17.7106 -8.0329 -8.0328 -4.3983 -4.3966 -4.2446 -4.2445 -4.1566 -4.1546 0.2476 0.2476 1.2344 1.2392 1.9115 1.9174 5.4335 5.4335 10.0832 10.0840 10.3102 10.3119 11.1372 11.1384 k = 0.4749-0.4098 0.4154 ( 3316 PWs) bands (ev): -47.5319 -47.5319 -22.2956 -22.2955 -19.6101 -19.6061 -19.4443 -19.4402 -19.3945 -19.3944 -17.7100 -17.7097 -8.0376 -8.0375 -4.3909 -4.3895 -4.2457 -4.2456 -4.1612 -4.1597 0.2492 0.2492 1.2547 1.2585 1.9039 1.9086 5.4349 5.4349 10.0731 10.0736 10.3519 10.3531 11.0741 11.0750 k = 0.4834-0.4171 0.4228 ( 3320 PWs) bands (ev): -47.5320 -47.5320 -22.2952 -22.2952 -19.6099 -19.6073 -19.4439 -19.4412 -19.3945 -19.3945 -17.7093 -17.7091 -8.0409 -8.0408 -4.3854 -4.3845 -4.2465 -4.2465 -4.1645 -4.1635 0.2503 0.2503 1.2699 1.2725 1.8983 1.9015 5.4358 5.4358 10.0648 10.0650 10.3884 10.3891 11.0231 11.0237 k = 0.4834-0.4171 0.4228 ( 3320 PWs) bands (ev): -47.5320 -47.5320 -22.2952 -22.2952 -19.6099 -19.6073 -19.4439 -19.4412 -19.3945 -19.3945 -17.7093 -17.7091 -8.0409 -8.0408 -4.3854 -4.3845 -4.2465 -4.2465 -4.1645 -4.1635 0.2503 0.2503 1.2699 1.2725 1.8983 1.9015 5.4358 5.4358 10.0648 10.0650 10.3884 10.3891 11.0231 11.0237 k = 0.4838-0.4049 0.4177 ( 3318 PWs) bands (ev): -47.5319 -47.5319 -22.2955 -22.2954 -19.6100 -19.6065 -19.4442 -19.4405 -19.3945 -19.3944 -17.7097 -17.7094 -8.0387 -8.0386 -4.3891 -4.3879 -4.2459 -4.2458 -4.1624 -4.1611 0.2495 0.2495 1.2598 1.2633 1.9019 1.9061 5.4350 5.4350 10.0672 10.0676 10.3652 10.3662 11.0577 11.0585 k = 0.4842-0.3926 0.4126 ( 3320 PWs) bands (ev): -47.5320 -47.5320 -22.2959 -22.2958 -19.6100 -19.6056 -19.4443 -19.4397 -19.3944 -19.3944 -17.7102 -17.7099 -8.0357 -8.0355 -4.3939 -4.3925 -4.2450 -4.2449 -4.1596 -4.1579 0.2482 0.2482 1.2469 1.2511 1.9064 1.9115 5.4337 5.4337 10.0649 10.0654 10.3405 10.3418 11.1011 11.1020 k = 0.4846-0.3803 0.4075 ( 3322 PWs) bands (ev): -47.5320 -47.5320 -22.2964 -22.2963 -19.6100 -19.6047 -19.4443 -19.4389 -19.3943 -19.3943 -17.7108 -17.7104 -8.0319 -8.0317 -4.4000 -4.3983 -4.2437 -4.2436 -4.1561 -4.1542 0.2464 0.2464 1.2313 1.2362 1.9115 1.9175 5.4318 5.4319 10.0581 10.0588 10.3155 10.3170 11.1519 11.1530 k = 0.4851-0.3680 0.4024 ( 3326 PWs) bands (ev): -47.5320 -47.5320 -22.2971 -22.2969 -19.6097 -19.6037 -19.4442 -19.4379 -19.3942 -19.3941 -17.7115 -17.7110 -8.0273 -8.0271 -4.4073 -4.4054 -4.2422 -4.2421 -4.1518 -4.1497 0.2442 0.2443 1.2134 1.2189 1.9172 1.9239 5.4295 5.4295 10.0472 10.0481 10.2908 10.2926 11.2093 11.2106 k = 0.4855-0.3558 0.3973 ( 3323 PWs) bands (ev): -47.5320 -47.5320 -22.2978 -22.2977 -19.6094 -19.6025 -19.4440 -19.4369 -19.3941 -19.3939 -17.7122 -17.7117 -8.0220 -8.0218 -4.4158 -4.4138 -4.2403 -4.2401 -4.1468 -4.1445 0.2417 0.2417 1.1935 1.1994 1.9232 1.9305 5.4267 5.4267 10.0328 10.0339 10.2668 10.2689 11.2725 11.2738 k = 0.4859-0.3435 0.3922 ( 3323 PWs) bands (ev): -47.5320 -47.5320 -22.2988 -22.2986 -19.6090 -19.6013 -19.4437 -19.4358 -19.3939 -19.3937 -17.7130 -17.7125 -8.0159 -8.0157 -4.4255 -4.4234 -4.2381 -4.2379 -4.1411 -4.1386 0.2387 0.2387 1.1717 1.1780 1.9292 1.9371 5.4233 5.4233 10.0157 10.0169 10.2438 10.2462 11.3407 11.3421 k = 0.4863-0.3312 0.3870 ( 3322 PWs) bands (ev): -47.5320 -47.5320 -22.2998 -22.2996 -19.6084 -19.6000 -19.4432 -19.4346 -19.3937 -19.3935 -17.7139 -17.7133 -8.0091 -8.0089 -4.4364 -4.4342 -4.2356 -4.2355 -4.1346 -4.1320 0.2353 0.2353 1.1485 1.1551 1.9352 1.9436 5.4196 5.4196 9.9965 9.9979 10.2218 10.2244 11.4133 11.4148 k = 0.4867-0.3189 0.3819 ( 3322 PWs) bands (ev): -47.5320 -47.5320 -22.3009 -22.3007 -19.6077 -19.5986 -19.4426 -19.4334 -19.3934 -19.3932 -17.7148 -17.7141 -8.0016 -8.0014 -4.4485 -4.4463 -4.2328 -4.2327 -4.1275 -4.1248 0.2316 0.2316 1.1239 1.1308 1.9410 1.9497 5.4154 5.4154 9.9758 9.9773 10.2008 10.2037 11.4896 11.4911 k = 0.4871-0.3066 0.3768 ( 3323 PWs) bands (ev): -47.5320 -47.5320 -22.3022 -22.3020 -19.6069 -19.5972 -19.4420 -19.4321 -19.3932 -19.3929 -17.7157 -17.7151 -7.9935 -7.9932 -4.4618 -4.4596 -4.2298 -4.2297 -4.1196 -4.1168 0.2275 0.2275 1.0983 1.1053 1.9463 1.9554 5.4108 5.4108 9.9541 9.9557 10.1811 10.1841 11.5689 11.5703 k = 0.4875-0.2944 0.3717 ( 3324 PWs) bands (ev): -47.5320 -47.5320 -22.3035 -22.3033 -19.6061 -19.5958 -19.4412 -19.4308 -19.3929 -19.3925 -17.7168 -17.7160 -7.9846 -7.9844 -4.4762 -4.4740 -4.2265 -4.2264 -4.1111 -4.1083 0.2230 0.2231 1.0719 1.0790 1.9512 1.9605 5.4059 5.4059 9.9317 9.9333 10.1628 10.1659 11.6504 11.6516 k = 0.4880-0.2821 0.3666 ( 3327 PWs) bands (ev): -47.5320 -47.5320 -22.3049 -22.3047 -19.6051 -19.5943 -19.4403 -19.4294 -19.3927 -19.3922 -17.7178 -17.7171 -7.9752 -7.9749 -4.4917 -4.4895 -4.2230 -4.2229 -4.1019 -4.0991 0.2183 0.2183 1.0449 1.0521 1.9555 1.9649 5.4006 5.4006 9.9087 9.9104 10.1461 10.1493 11.7331 11.7341 k = 0.4884-0.2698 0.3615 ( 3327 PWs) bands (ev): -47.5320 -47.5320 -22.3064 -22.3062 -19.6041 -19.5928 -19.4393 -19.4280 -19.3924 -19.3917 -17.7189 -17.7182 -7.9652 -7.9649 -4.5082 -4.5061 -4.2193 -4.2192 -4.0921 -4.0893 0.2133 0.2133 1.0174 1.0246 1.9592 1.9687 5.3950 5.3950 9.8855 9.8872 10.1311 10.1343 11.8161 11.8167 k = 0.4888-0.2575 0.3564 ( 3327 PWs) bands (ev): -47.5320 -47.5320 -22.3080 -22.3078 -19.6030 -19.5913 -19.4382 -19.4266 -19.3920 -19.3913 -17.7201 -17.7193 -7.9546 -7.9543 -4.5256 -4.5236 -4.2154 -4.2153 -4.0818 -4.0791 0.2080 0.2080 0.9896 0.9969 1.9622 1.9718 5.3892 5.3892 9.8620 9.8636 10.1180 10.1212 11.8983 11.8984 k = 0.4892-0.2453 0.3513 ( 3327 PWs) bands (ev): -47.5320 -47.5320 -22.3096 -22.3094 -19.6018 -19.5897 -19.4370 -19.4252 -19.3917 -19.3908 -17.7213 -17.7204 -7.9435 -7.9431 -4.5439 -4.5420 -4.2113 -4.2113 -4.0710 -4.0683 0.2025 0.2025 0.9618 0.9689 1.9645 1.9741 5.3831 5.3831 9.8385 9.8400 10.1069 10.1101 11.9785 11.9790 k = 0.4896-0.2330 0.3462 ( 3329 PWs) bands (ev): -47.5320 -47.5320 -22.3113 -22.3111 -19.6005 -19.5882 -19.4357 -19.4238 -19.3914 -19.3903 -17.7225 -17.7216 -7.9319 -7.9316 -4.5630 -4.5612 -4.2071 -4.2071 -4.0598 -4.0571 0.1968 0.1968 0.9339 0.9410 1.9661 1.9757 5.3768 5.3769 9.8148 9.8162 10.0979 10.1010 12.0565 12.0576 k = 0.4900-0.2207 0.3411 ( 3333 PWs) bands (ev): -47.5320 -47.5320 -22.3131 -22.3128 -19.5993 -19.5868 -19.4343 -19.4223 -19.3910 -19.3899 -17.7237 -17.7228 -7.9199 -7.9196 -4.5828 -4.5811 -4.2028 -4.2027 -4.0482 -4.0456 0.1909 0.1910 0.9063 0.9133 1.9671 1.9766 5.3705 5.3705 9.7913 9.7925 10.0909 10.0940 12.1320 12.1338 k = 0.4905-0.2084 0.3360 ( 3336 PWs) bands (ev): -47.5321 -47.5321 -22.3148 -22.3146 -19.5979 -19.5853 -19.4328 -19.4209 -19.3907 -19.3893 -17.7250 -17.7241 -7.9076 -7.9072 -4.6032 -4.6015 -4.1984 -4.1983 -4.0363 -4.0338 0.1849 0.1849 0.8790 0.8858 1.9673 1.9768 5.3640 5.3640 9.7678 9.7690 10.0860 10.0890 12.2052 12.2077 k = 0.4909-0.1961 0.3309 ( 3336 PWs) bands (ev): -47.5321 -47.5321 -22.3166 -22.3164 -19.5966 -19.5839 -19.4313 -19.4195 -19.3903 -19.3888 -17.7262 -17.7253 -7.8949 -7.8945 -4.6241 -4.6225 -4.1939 -4.1938 -4.0242 -4.0217 0.1788 0.1788 0.8521 0.8588 1.9670 1.9762 5.3574 5.3574 9.7447 9.7457 10.0831 10.0859 12.2763 12.2793 k = 0.4913-0.1839 0.3258 ( 3329 PWs) bands (ev): -47.5321 -47.5321 -22.3184 -22.3182 -19.5951 -19.5825 -19.4296 -19.4180 -19.3899 -19.3882 -17.7274 -17.7265 -7.8819 -7.8816 -4.6454 -4.6438 -4.1893 -4.1892 -4.0119 -4.0095 0.1727 0.1727 0.8257 0.8322 1.9660 1.9751 5.3508 5.3509 9.7219 9.7227 10.0821 10.0847 12.3454 12.3488 k = 0.4917-0.1716 0.3207 ( 3333 PWs) bands (ev): -47.5321 -47.5321 -22.3202 -22.3200 -19.5937 -19.5812 -19.4280 -19.4167 -19.3895 -19.3876 -17.7287 -17.7278 -7.8688 -7.8684 -4.6669 -4.6655 -4.1847 -4.1847 -3.9995 -3.9973 0.1664 0.1665 0.8000 0.8063 1.9645 1.9733 5.3443 5.3443 9.6995 9.7002 10.0827 10.0852 12.4128 12.4165 k = 0.4921-0.1593 0.3156 ( 3335 PWs) bands (ev): -47.5321 -47.5321 -22.3220 -22.3217 -19.5923 -19.5799 -19.4263 -19.4153 -19.3892 -19.3871 -17.7299 -17.7290 -7.8555 -7.8552 -4.6886 -4.6872 -4.1801 -4.1801 -3.9871 -3.9850 0.1602 0.1602 0.7750 0.7811 1.9624 1.9711 5.3377 5.3378 9.6777 9.6783 10.0849 10.0873 12.4785 12.4825 k = 0.4925-0.1470 0.3105 ( 3337 PWs) bands (ev): -47.5321 -47.5321 -22.3237 -22.3235 -19.5909 -19.5787 -19.4245 -19.4140 -19.3888 -19.3866 -17.7311 -17.7302 -7.8422 -7.8419 -4.7103 -4.7090 -4.1756 -4.1755 -3.9748 -3.9727 0.1540 0.1541 0.7508 0.7567 1.9600 1.9683 5.3313 5.3313 9.6566 9.6570 10.0886 10.0908 12.5426 12.5469 k = 0.4929-0.1347 0.3054 ( 3339 PWs) bands (ev): -47.5321 -47.5321 -22.3255 -22.3253 -19.5894 -19.5776 -19.4228 -19.4127 -19.3885 -19.3860 -17.7323 -17.7315 -7.8289 -7.8286 -4.7319 -4.7307 -4.1711 -4.1710 -3.9626 -3.9606 0.1480 0.1480 0.7275 0.7331 1.9571 1.9652 5.3250 5.3250 9.6362 9.6365 10.0934 10.0955 12.6051 12.6095 k = 0.4934-0.1225 0.3003 ( 3340 PWs) bands (ev): -47.5321 -47.5321 -22.3272 -22.3270 -19.5880 -19.5765 -19.4210 -19.4115 -19.3881 -19.3855 -17.7335 -17.7326 -7.8157 -7.8154 -4.7532 -4.7521 -4.1667 -4.1667 -3.9506 -3.9487 0.1420 0.1420 0.7052 0.7105 1.9540 1.9617 5.3189 5.3189 9.6166 9.6168 10.0993 10.1012 12.6660 12.6705 k = 0.4938-0.1102 0.2952 ( 3344 PWs) bands (ev): -47.5321 -47.5321 -22.3288 -22.3286 -19.5866 -19.5756 -19.4192 -19.4103 -19.3878 -19.3850 -17.7346 -17.7338 -7.8027 -7.8024 -4.7742 -4.7732 -4.1624 -4.1624 -3.9389 -3.9371 0.1361 0.1361 0.6839 0.6890 1.9506 1.9580 5.3129 5.3129 9.5979 9.5981 10.1061 10.1078 12.7251 12.7297 k = 0.4942-0.0979 0.2901 ( 3340 PWs) bands (ev): -47.5321 -47.5321 -22.3304 -22.3302 -19.5852 -19.5746 -19.4174 -19.4092 -19.3874 -19.3845 -17.7357 -17.7349 -7.7899 -7.7896 -4.7947 -4.7938 -4.1582 -4.1582 -3.9275 -3.9259 0.1305 0.1305 0.6637 0.6685 1.9471 1.9541 5.3072 5.3072 9.5802 9.5803 10.1135 10.1151 12.7824 12.7869 k = 0.4946-0.0856 0.2850 ( 3342 PWs) bands (ev): -47.5322 -47.5322 -22.3319 -22.3317 -19.5839 -19.5738 -19.4157 -19.4081 -19.3871 -19.3841 -17.7367 -17.7360 -7.7775 -7.7772 -4.8145 -4.8137 -4.1542 -4.1542 -3.9166 -3.9150 0.1250 0.1250 0.6447 0.6492 1.9435 1.9501 5.3017 5.3017 9.5635 9.5635 10.1215 10.1229 12.8377 12.8422 k = 0.4950-0.0734 0.2799 ( 3332 PWs) bands (ev): -47.5321 -47.5321 -22.3334 -22.3332 -19.5825 -19.5731 -19.4140 -19.4071 -19.3867 -19.3836 -17.7377 -17.7370 -7.7656 -7.7653 -4.8335 -4.8328 -4.1504 -4.1504 -3.9061 -3.9047 0.1199 0.1199 0.6269 0.6311 1.9399 1.9461 5.2965 5.2966 9.5478 9.5478 10.1297 10.1311 12.8908 12.8951 k = 0.4954-0.0611 0.2748 ( 3331 PWs) bands (ev): -47.5322 -47.5322 -22.3347 -22.3346 -19.5813 -19.5724 -19.4124 -19.4061 -19.3863 -19.3832 -17.7386 -17.7379 -7.7541 -7.7539 -4.8516 -4.8510 -4.1468 -4.1468 -3.8962 -3.8949 0.1149 0.1150 0.6104 0.6143 1.9363 1.9421 5.2917 5.2917 9.5332 9.5333 10.1381 10.1393 12.9414 12.9456 k = 0.4958-0.0488 0.2697 ( 3334 PWs) bands (ev): -47.5322 -47.5322 -22.3360 -22.3358 -19.5801 -19.5719 -19.4108 -19.4053 -19.3860 -19.3830 -17.7395 -17.7388 -7.7433 -7.7431 -4.8687 -4.8681 -4.1434 -4.1434 -3.8869 -3.8857 0.1103 0.1104 0.5951 0.5987 1.9328 1.9381 5.2871 5.2872 9.5198 9.5199 10.1464 10.1475 12.9894 12.9934 k = 0.4963-0.0365 0.2646 ( 3337 PWs) bands (ev): -47.5322 -47.5322 -22.3372 -22.3370 -19.5789 -19.5715 -19.4094 -19.4045 -19.3857 -19.3827 -17.7403 -17.7397 -7.7333 -7.7330 -4.8846 -4.8841 -4.1403 -4.1403 -3.8784 -3.8773 0.1061 0.1061 0.5812 0.5845 1.9294 1.9342 5.2830 5.2830 9.5075 9.5076 10.1545 10.1555 13.0345 13.0382 k = 0.4967-0.0242 0.2595 ( 3339 PWs) bands (ev): -47.5322 -47.5322 -22.3382 -22.3381 -19.5778 -19.5711 -19.4080 -19.4038 -19.3854 -19.3825 -17.7410 -17.7405 -7.7240 -7.7237 -4.8992 -4.8987 -4.1374 -4.1374 -3.8705 -3.8695 0.1022 0.1022 0.5687 0.5716 1.9263 1.9306 5.2792 5.2792 9.4965 9.4966 10.1623 10.1631 13.0762 13.0797 k = 0.4971-0.0120 0.2544 ( 3337 PWs) bands (ev): -47.5322 -47.5322 -22.3392 -22.3390 -19.5768 -19.5708 -19.4068 -19.4032 -19.3851 -19.3824 -17.7416 -17.7411 -7.7155 -7.7153 -4.9124 -4.9120 -4.1349 -4.1349 -3.8634 -3.8626 0.0988 0.0988 0.5576 0.5602 1.9235 1.9273 5.2758 5.2758 9.4867 9.4868 10.1695 10.1702 13.1144 13.1175 k = 0.4975 0.0003 0.2493 ( 3337 PWs) bands (ev): -47.5322 -47.5322 -22.3400 -22.3399 -19.5758 -19.5707 -19.4056 -19.4026 -19.3847 -19.3823 -17.7421 -17.7418 -7.7081 -7.7079 -4.9240 -4.9237 -4.1326 -4.1326 -3.8572 -3.8565 0.0957 0.0957 0.5480 0.5502 1.9209 1.9242 5.2728 5.2728 9.4782 9.4783 10.1761 10.1767 13.1485 13.1513 k = 0.4979 0.0126 0.2442 ( 3335 PWs) bands (ev): -47.5322 -47.5322 -22.3407 -22.3406 -19.5749 -19.5706 -19.4046 -19.4022 -19.3844 -19.3823 -17.7426 -17.7423 -7.7016 -7.7015 -4.9341 -4.9338 -4.1307 -4.1306 -3.8519 -3.8512 0.0931 0.0931 0.5398 0.5417 1.9188 1.9215 5.2703 5.2703 9.4709 9.4711 10.1818 10.1824 13.1784 13.1807 k = 0.4983 0.0249 0.2391 ( 3331 PWs) bands (ev): -47.5322 -47.5322 -22.3413 -22.3412 -19.5741 -19.5706 -19.4037 -19.4019 -19.3841 -19.3823 -17.7430 -17.7427 -7.6962 -7.6961 -4.9424 -4.9421 -4.1291 -4.1290 -3.8474 -3.8469 0.0909 0.0909 0.5332 0.5347 1.9170 1.9192 5.2682 5.2682 9.4650 9.4651 10.1867 10.1872 13.2035 13.2054 k = 0.4988 0.0371 0.2340 ( 3330 PWs) bands (ev): -47.5322 -47.5322 -22.3417 -22.3417 -19.5733 -19.5707 -19.4030 -19.4016 -19.3838 -19.3824 -17.7433 -17.7431 -7.6920 -7.6919 -4.9489 -4.9487 -4.1278 -4.1278 -3.8439 -3.8435 0.0892 0.0892 0.5280 0.5291 1.9157 1.9173 5.2666 5.2666 9.4604 9.4605 10.1907 10.1910 13.2235 13.2250 k = 0.4992 0.0494 0.2289 ( 3332 PWs) bands (ev): -47.5322 -47.5322 -22.3421 -22.3420 -19.5727 -19.5709 -19.4024 -19.4015 -19.3835 -19.3826 -17.7435 -17.7434 -7.6889 -7.6889 -4.9536 -4.9535 -4.1269 -4.1269 -3.8414 -3.8411 0.0880 0.0880 0.5244 0.5251 1.9148 1.9159 5.2654 5.2654 9.4571 9.4571 10.1935 10.1937 13.2382 13.2392 k = 0.4996 0.0617 0.2237 ( 3333 PWs) bands (ev): -47.5322 -47.5322 -22.3423 -22.3422 -19.5721 -19.5712 -19.4020 -19.4016 -19.3832 -19.3828 -17.7436 -17.7435 -7.6871 -7.6870 -4.9565 -4.9564 -4.1263 -4.1263 -3.8398 -3.8397 0.0872 0.0872 0.5222 0.5226 1.9143 1.9149 5.2647 5.2647 9.4551 9.4551 10.1953 10.1954 13.2471 13.2476 k = 0.5000 0.0740 0.2186 ( 3334 PWs) bands (ev): -47.5322 -47.5322 -22.3423 -22.3423 -19.5716 -19.5716 -19.4017 -19.4017 -19.3830 -19.3830 -17.7436 -17.7436 -7.6864 -7.6864 -4.9574 -4.9574 -4.1262 -4.1262 -3.8393 -3.8393 0.0870 0.0870 0.5217 0.5217 1.9144 1.9144 5.2645 5.2645 9.4545 9.4545 10.1959 10.1959 13.2503 13.2503 k = 0.5000 0.0740 0.2186 ( 3334 PWs) bands (ev): -47.5322 -47.5322 -22.3423 -22.3423 -19.5716 -19.5716 -19.4017 -19.4017 -19.3830 -19.3830 -17.7436 -17.7436 -7.6864 -7.6864 -4.9574 -4.9574 -4.1262 -4.1262 -3.8393 -3.8393 0.0870 0.0870 0.5217 0.5217 1.9144 1.9144 5.2645 5.2645 9.4545 9.4545 10.1959 10.1959 13.2503 13.2503 k = 0.4944 0.0788 0.2297 ( 3332 PWs) bands (ev): -47.5322 -47.5322 -22.3423 -22.3423 -19.5719 -19.5714 -19.4019 -19.4016 -19.3834 -19.3827 -17.7435 -17.7435 -7.6864 -7.6864 -4.9573 -4.9572 -4.1269 -4.1267 -3.8394 -3.8393 0.0861 0.0865 0.5218 0.5221 1.9145 1.9146 5.2637 5.2639 9.4560 9.4561 10.1974 10.1975 13.2509 13.2511 k = 0.4889 0.0836 0.2408 ( 3336 PWs) bands (ev): -47.5322 -47.5322 -22.3421 -22.3421 -19.5722 -19.5713 -19.4023 -19.4015 -19.3838 -19.3824 -17.7433 -17.7432 -7.6862 -7.6862 -4.9569 -4.9568 -4.1289 -4.1285 -3.8399 -3.8397 0.0838 0.0845 0.5226 0.5232 1.9151 1.9152 5.2615 5.2619 9.4608 9.4610 10.2021 10.2023 13.2529 13.2534 k = 0.4833 0.0884 0.2519 ( 3340 PWs) bands (ev): -47.5322 -47.5322 -22.3418 -22.3418 -19.5727 -19.5712 -19.4027 -19.4016 -19.3842 -19.3822 -17.7428 -17.7426 -7.6859 -7.6858 -4.9563 -4.9561 -4.1321 -4.1315 -3.8405 -3.8402 0.0801 0.0811 0.5239 0.5249 1.9160 1.9162 5.2581 5.2586 9.4687 9.4691 10.2098 10.2101 13.2563 13.2570 k = 0.4778 0.0932 0.2630 ( 3340 PWs) bands (ev): -47.5322 -47.5322 -22.3414 -22.3414 -19.5731 -19.5712 -19.4032 -19.4017 -19.3847 -19.3820 -17.7422 -17.7419 -7.6854 -7.6854 -4.9554 -4.9551 -4.1366 -4.1357 -3.8414 -3.8411 0.0751 0.0764 0.5259 0.5272 1.9174 1.9176 5.2533 5.2540 9.4798 9.4803 10.2207 10.2211 13.2611 13.2619 k = 0.4722 0.0979 0.2741 ( 3338 PWs) bands (ev): -47.5322 -47.5322 -22.3409 -22.3409 -19.5736 -19.5712 -19.4038 -19.4019 -19.3852 -19.3819 -17.7414 -17.7410 -7.6848 -7.6848 -4.9543 -4.9539 -4.1422 -4.1411 -3.8426 -3.8421 0.0687 0.0704 0.5285 0.5301 1.9191 1.9194 5.2471 5.2480 9.4941 9.4947 10.2346 10.2351 13.2671 13.2682 k = 0.4667 0.1027 0.2851 ( 3334 PWs) bands (ev): -47.5321 -47.5321 -22.3403 -22.3403 -19.5741 -19.5713 -19.4044 -19.4021 -19.3856 -19.3818 -17.7404 -17.7400 -7.6841 -7.6840 -4.9529 -4.9524 -4.1489 -4.1475 -3.8440 -3.8434 0.0612 0.0631 0.5316 0.5334 1.9212 1.9215 5.2398 5.2408 9.5114 9.5121 10.2515 10.2522 13.2745 13.2758 k = 0.4611 0.1075 0.2962 ( 3340 PWs) bands (ev): -47.5321 -47.5321 -22.3397 -22.3396 -19.5748 -19.5715 -19.4052 -19.4026 -19.3861 -19.3818 -17.7392 -17.7387 -7.6833 -7.6832 -4.9514 -4.9507 -4.1567 -4.1551 -3.8457 -3.8450 0.0524 0.0546 0.5352 0.5373 1.9236 1.9240 5.2312 5.2324 9.5317 9.5325 10.2715 10.2722 13.2831 13.2846 k = 0.4556 0.1123 0.3073 ( 3336 PWs) bands (ev): -47.5321 -47.5321 -22.3389 -22.3388 -19.5755 -19.5717 -19.4060 -19.4030 -19.3865 -19.3818 -17.7378 -17.7373 -7.6823 -7.6822 -4.9496 -4.9489 -4.1654 -4.1637 -3.8476 -3.8468 0.0426 0.0450 0.5393 0.5415 1.9264 1.9268 5.2214 5.2228 9.5548 9.5558 10.2944 10.2952 13.2928 13.2945 k = 0.4500 0.1171 0.3184 ( 3338 PWs) bands (ev): -47.5321 -47.5321 -22.3380 -22.3380 -19.5762 -19.5720 -19.4069 -19.4036 -19.3870 -19.3819 -17.7363 -17.7357 -7.6813 -7.6812 -4.9476 -4.9468 -4.1751 -4.1732 -3.8497 -3.8489 0.0316 0.0342 0.5438 0.5462 1.9294 1.9299 5.2105 5.2121 9.5808 9.5819 10.3201 10.3211 13.3036 13.3055 k = 0.4444 0.1219 0.3295 ( 3338 PWs) bands (ev): -47.5320 -47.5320 -22.3370 -22.3370 -19.5770 -19.5724 -19.4080 -19.4043 -19.3874 -19.3820 -17.7346 -17.7340 -7.6801 -7.6800 -4.9455 -4.9446 -4.1857 -4.1835 -3.8521 -3.8512 0.0197 0.0224 0.5487 0.5513 1.9328 1.9333 5.1986 5.2004 9.6096 9.6107 10.3487 10.3497 13.3152 13.3175 k = 0.4389 0.1267 0.3406 ( 3336 PWs) bands (ev): -47.5320 -47.5320 -22.3359 -22.3359 -19.5778 -19.5728 -19.4091 -19.4050 -19.3877 -19.3821 -17.7328 -17.7321 -7.6788 -7.6787 -4.9433 -4.9423 -4.1970 -4.1946 -3.8548 -3.8538 0.0068 0.0098 0.5540 0.5567 1.9365 1.9370 5.1857 5.1876 9.6409 9.6421 10.3800 10.3811 13.3277 13.3302 k = 0.4333 0.1315 0.3516 ( 3338 PWs) bands (ev): -47.5320 -47.5320 -22.3348 -22.3348 -19.5787 -19.5733 -19.4103 -19.4059 -19.3880 -19.3822 -17.7309 -17.7301 -7.6774 -7.6773 -4.9410 -4.9398 -4.2089 -4.2063 -3.8577 -3.8566 -0.0068 -0.0038 0.5596 0.5624 1.9404 1.9410 5.1719 5.1740 9.6747 9.6760 10.4140 10.4152 13.3409 13.3435 k = 0.4278 0.1363 0.3627 ( 3338 PWs) bands (ev): -47.5319 -47.5319 -22.3335 -22.3335 -19.5796 -19.5738 -19.4116 -19.4068 -19.3883 -19.3824 -17.7288 -17.7280 -7.6760 -7.6758 -4.9386 -4.9374 -4.2213 -4.2185 -3.8608 -3.8597 -0.0212 -0.0181 0.5655 0.5683 1.9445 1.9452 5.1573 5.1595 9.7109 9.7123 10.4505 10.4518 13.3544 13.3573 k = 0.4222 0.1411 0.3738 ( 3338 PWs) bands (ev): -47.5319 -47.5319 -22.3322 -22.3322 -19.5806 -19.5744 -19.4130 -19.4078 -19.3885 -19.3826 -17.7266 -17.7257 -7.6744 -7.6743 -4.9362 -4.9349 -4.2342 -4.2312 -3.8642 -3.8630 -0.0363 -0.0331 0.5716 0.5745 1.9488 1.9495 5.1419 5.1443 9.7493 9.7508 10.4895 10.4909 13.3681 13.3713 k = 0.4167 0.1459 0.3849 ( 3334 PWs) bands (ev): -47.5319 -47.5319 -22.3309 -22.3309 -19.5815 -19.5750 -19.4144 -19.4088 -19.3887 -19.3828 -17.7243 -17.7234 -7.6728 -7.6727 -4.9339 -4.9324 -4.2474 -4.2442 -3.8678 -3.8665 -0.0520 -0.0487 0.5780 0.5809 1.9534 1.9541 5.1259 5.1284 9.7899 9.7914 10.5308 10.5322 13.3816 13.3850 k = 0.4111 0.1507 0.3960 ( 3332 PWs) bands (ev): -47.5318 -47.5318 -22.3295 -22.3295 -19.5826 -19.5757 -19.4159 -19.4099 -19.3889 -19.3830 -17.7219 -17.7210 -7.6711 -7.6710 -4.9316 -4.9300 -4.2608 -4.2574 -3.8717 -3.8703 -0.0681 -0.0649 0.5845 0.5874 1.9581 1.9588 5.1092 5.1119 9.8325 9.8341 10.5743 10.5758 13.3946 13.3982 k = 0.4056 0.1555 0.4070 ( 3332 PWs) bands (ev): -47.5318 -47.5318 -22.3280 -22.3280 -19.5836 -19.5765 -19.4174 -19.4110 -19.3890 -19.3832 -17.7194 -17.7184 -7.6694 -7.6692 -4.9294 -4.9277 -4.2742 -4.2706 -3.8757 -3.8743 -0.0847 -0.0815 0.5911 0.5940 1.9629 1.9636 5.0921 5.0949 9.8770 9.8786 10.6198 10.6215 13.4064 13.4103 k = 0.4000 0.1603 0.4181 ( 3334 PWs) bands (ev): -47.5317 -47.5317 -22.3265 -22.3265 -19.5847 -19.5773 -19.4190 -19.4121 -19.3892 -19.3834 -17.7169 -17.7159 -7.6676 -7.6674 -4.9274 -4.9255 -4.2876 -4.2838 -3.8800 -3.8785 -0.1017 -0.0984 0.5978 0.6007 1.9678 1.9686 5.0746 5.0775 9.9232 9.9249 10.6673 10.6690 13.4164 13.4205 k = 0.3944 0.1651 0.4292 ( 3336 PWs) bands (ev): -47.5317 -47.5317 -22.3250 -22.3250 -19.5859 -19.5782 -19.4207 -19.4133 -19.3893 -19.3837 -17.7143 -17.7132 -7.6657 -7.6656 -4.9257 -4.9236 -4.3008 -4.2969 -3.8845 -3.8830 -0.1189 -0.1156 0.6046 0.6075 1.9728 1.9736 5.0567 5.0598 9.9711 9.9728 10.7165 10.7183 13.4236 13.4279 k = 0.3889 0.1699 0.4403 ( 3332 PWs) bands (ev): -47.5316 -47.5316 -22.3234 -22.3234 -19.5870 -19.5790 -19.4223 -19.4145 -19.3894 -19.3839 -17.7116 -17.7106 -7.6639 -7.6637 -4.9241 -4.9220 -4.3137 -4.3096 -3.8892 -3.8876 -0.1362 -0.1329 0.6115 0.6143 1.9778 1.9786 5.0387 5.0418 10.0205 10.0223 10.7673 10.7692 13.4267 13.4312 k = 0.3833 0.1747 0.4514 ( 3334 PWs) bands (ev): -47.5316 -47.5316 -22.3218 -22.3218 -19.5882 -19.5799 -19.4239 -19.4157 -19.3895 -19.3841 -17.7090 -17.7079 -7.6620 -7.6618 -4.9230 -4.9207 -4.3261 -4.3218 -3.8941 -3.8924 -0.1536 -0.1503 0.6183 0.6211 1.9829 1.9837 5.0205 5.0237 10.0713 10.0731 10.8195 10.8215 13.4243 13.4289 k = 0.3778 0.1794 0.4625 ( 3338 PWs) bands (ev): -47.5316 -47.5316 -22.3202 -22.3202 -19.5894 -19.5809 -19.4256 -19.4169 -19.3896 -19.3843 -17.7063 -17.7052 -7.6601 -7.6598 -4.9221 -4.9197 -4.3381 -4.3336 -3.8992 -3.8975 -0.1710 -0.1678 0.6251 0.6278 1.9879 1.9887 5.0022 5.0056 10.1234 10.1253 10.8729 10.8750 13.4144 13.4190 k = 0.3722 0.1842 0.4735 ( 3338 PWs) bands (ev): -47.5315 -47.5315 -22.3186 -22.3186 -19.5906 -19.5819 -19.4272 -19.4182 -19.3896 -19.3846 -17.7036 -17.7025 -7.6581 -7.6579 -4.9217 -4.9192 -4.3493 -4.3448 -3.9044 -3.9027 -0.1883 -0.1851 0.6318 0.6345 1.9930 1.9938 4.9840 4.9875 10.1766 10.1786 10.9274 10.9296 13.3954 13.3998 k = 0.3667 0.1890 0.4846 ( 3340 PWs) bands (ev): -47.5315 -47.5315 -22.3170 -22.3170 -19.5917 -19.5829 -19.4288 -19.4194 -19.3897 -19.3848 -17.7009 -17.6998 -7.6562 -7.6560 -4.9218 -4.9191 -4.3599 -4.3552 -3.9098 -3.9080 -0.2055 -0.2023 0.6385 0.6410 1.9980 1.9988 4.9659 4.9695 10.2310 10.2330 10.9826 10.9849 13.3663 13.3703 k = 0.3611 0.1938 0.4957 ( 3346 PWs) bands (ev): -47.5314 -47.5314 -22.3154 -22.3154 -19.5930 -19.5839 -19.4304 -19.4206 -19.3897 -19.3850 -17.6982 -17.6971 -7.6543 -7.6541 -4.9222 -4.9195 -4.3696 -4.3648 -3.9153 -3.9135 -0.2224 -0.2193 0.6450 0.6475 2.0029 2.0037 4.9481 4.9517 10.2863 10.2883 11.0383 11.0407 13.3270 13.3305 k = 0.3556 0.1986 0.5068 ( 3346 PWs) bands (ev): -47.5314 -47.5314 -22.3138 -22.3138 -19.5941 -19.5850 -19.4319 -19.4218 -19.3897 -19.3852 -17.6956 -17.6945 -7.6524 -7.6522 -4.9232 -4.9204 -4.3785 -4.3735 -3.9209 -3.9191 -0.2391 -0.2360 0.6515 0.6538 2.0077 2.0085 4.9305 4.9343 10.3425 10.3446 11.0945 11.0970 13.2787 13.2818 k = 0.3500 0.2034 0.5179 ( 3344 PWs) bands (ev): -47.5313 -47.5313 -22.3123 -22.3123 -19.5953 -19.5860 -19.4334 -19.4229 -19.3897 -19.3854 -17.6931 -17.6919 -7.6506 -7.6504 -4.9246 -4.9217 -4.3864 -4.3813 -3.9266 -3.9247 -0.2553 -0.2522 0.6577 0.6600 2.0125 2.0132 4.9134 4.9172 10.3994 10.4015 11.1507 11.1533 13.2232 13.2258 k = 0.3444 0.2082 0.5290 ( 3350 PWs) bands (ev): -47.5313 -47.5313 -22.3107 -22.3107 -19.5964 -19.5870 -19.4349 -19.4241 -19.3898 -19.3856 -17.6906 -17.6894 -7.6488 -7.6485 -4.9265 -4.9236 -4.3933 -4.3882 -3.9324 -3.9305 -0.2711 -0.2681 0.6638 0.6660 2.0170 2.0178 4.8966 4.9006 10.4569 10.4591 11.2067 11.2095 13.1622 13.1644 k = 0.3389 0.2130 0.5400 ( 3348 PWs) bands (ev): -47.5312 -47.5312 -22.3093 -22.3093 -19.5975 -19.5880 -19.4362 -19.4251 -19.3898 -19.3858 -17.6881 -17.6869 -7.6470 -7.6468 -4.9288 -4.9258 -4.3993 -4.3942 -3.9382 -3.9362 -0.2863 -0.2833 0.6696 0.6717 2.0215 2.0222 4.8804 4.8845 10.5150 10.5173 11.2624 11.2653 13.0972 13.0992 k = 0.3333 0.2178 0.5511 ( 3342 PWs) bands (ev): -47.5312 -47.5312 -22.3078 -22.3078 -19.5986 -19.5890 -19.4375 -19.4261 -19.3898 -19.3859 -17.6858 -17.6846 -7.6453 -7.6451 -4.9315 -4.9285 -4.4043 -4.3992 -3.9439 -3.9419 -0.3010 -0.2980 0.6752 0.6772 2.0257 2.0264 4.8649 4.8690 10.5734 10.5758 11.3174 11.3204 13.0296 13.0313 k = 0.3278 0.2226 0.5622 ( 3348 PWs) bands (ev): -47.5312 -47.5312 -22.3065 -22.3065 -19.5997 -19.5900 -19.4388 -19.4271 -19.3898 -19.3861 -17.6835 -17.6823 -7.6437 -7.6434 -4.9346 -4.9315 -4.4084 -4.4033 -3.9497 -3.9476 -0.3150 -0.3121 0.6806 0.6825 2.0298 2.0305 4.8499 4.8541 10.6321 10.6345 11.3714 11.3745 12.9602 12.9618 k = 0.3222 0.2274 0.5733 ( 3344 PWs) bands (ev): -47.5311 -47.5311 -22.3051 -22.3051 -19.6006 -19.5909 -19.4399 -19.4281 -19.3898 -19.3862 -17.6814 -17.6802 -7.6421 -7.6419 -4.9379 -4.9349 -4.4116 -4.4066 -3.9553 -3.9533 -0.3283 -0.3254 0.6857 0.6875 2.0337 2.0343 4.8358 4.8400 10.6907 10.6933 11.4242 11.4275 12.8899 12.8914 k = 0.3167 0.2322 0.5844 ( 3350 PWs) bands (ev): -47.5311 -47.5311 -22.3039 -22.3039 -19.6016 -19.5919 -19.4410 -19.4290 -19.3898 -19.3864 -17.6793 -17.6782 -7.6407 -7.6404 -4.9414 -4.9384 -4.4141 -4.4091 -3.9608 -3.9588 -0.3409 -0.3380 0.6904 0.6922 2.0373 2.0379 4.8224 4.8267 10.7492 10.7519 11.4755 11.4789 12.8192 12.8208 k = 0.3111 0.2370 0.5955 ( 3350 PWs) bands (ev): -47.5311 -47.5311 -22.3027 -22.3027 -19.6025 -19.5927 -19.4420 -19.4298 -19.3898 -19.3865 -17.6774 -17.6763 -7.6393 -7.6390 -4.9451 -4.9420 -4.4159 -4.4110 -3.9661 -3.9641 -0.3526 -0.3498 0.6949 0.6965 2.0407 2.0413 4.8098 4.8142 10.8073 10.8101 11.5250 11.5286 12.7489 12.7504 k = 0.3056 0.2418 0.6065 ( 3344 PWs) bands (ev): -47.5310 -47.5310 -22.3017 -22.3016 -19.6033 -19.5935 -19.4429 -19.4305 -19.3897 -19.3866 -17.6757 -17.6745 -7.6380 -7.6377 -4.9487 -4.9457 -4.4170 -4.4122 -3.9712 -3.9692 -0.3634 -0.3607 0.6991 0.7006 2.0439 2.0444 4.7982 4.8026 10.8647 10.8675 11.5723 11.5761 12.6793 12.6810 k = 0.3000 0.2466 0.6176 ( 3346 PWs) bands (ev): -47.5310 -47.5310 -22.3007 -22.3006 -19.6041 -19.5943 -19.4438 -19.4312 -19.3897 -19.3867 -17.6740 -17.6729 -7.6368 -7.6365 -4.9524 -4.9494 -4.4177 -4.4129 -3.9760 -3.9740 -0.3734 -0.3707 0.7029 0.7043 2.0468 2.0472 4.7876 4.7920 10.9209 10.9239 11.6173 11.6212 12.6111 12.6129 k = 0.2944 0.2514 0.6287 ( 3342 PWs) bands (ev): -47.5310 -47.5310 -22.2997 -22.2997 -19.6048 -19.5950 -19.4445 -19.4318 -19.3897 -19.3868 -17.6726 -17.6714 -7.6357 -7.6354 -4.9558 -4.9529 -4.4179 -4.4132 -3.9805 -3.9785 -0.3824 -0.3797 0.7063 0.7077 2.0494 2.0498 4.7779 4.7824 10.9754 10.9786 11.6595 11.6637 12.5448 12.5467 k = 0.2889 0.2562 0.6398 ( 3342 PWs) bands (ev): -47.5309 -47.5309 -22.2989 -22.2989 -19.6054 -19.5956 -19.4452 -19.4324 -19.3896 -19.3869 -17.6712 -17.6701 -7.6348 -7.6345 -4.9591 -4.9562 -4.4178 -4.4132 -3.9846 -3.9826 -0.3905 -0.3878 0.7094 0.7106 2.0518 2.0521 4.7693 4.7738 11.0277 11.0311 11.6988 11.7032 12.4811 12.4832 k = 0.2833 0.2609 0.6509 ( 3342 PWs) bands (ev): -47.5309 -47.5309 -22.2982 -22.2982 -19.6059 -19.5961 -19.4458 -19.4329 -19.3896 -19.3870 -17.6701 -17.6689 -7.6339 -7.6336 -4.9621 -4.9592 -4.4175 -4.4130 -3.9883 -3.9864 -0.3975 -0.3948 0.7120 0.7133 2.0538 2.0541 4.7618 4.7663 11.0770 11.0805 11.7348 11.7395 12.4207 12.4230 k = 0.2778 0.2657 0.6619 ( 3346 PWs) bands (ev): -47.5309 -47.5309 -22.2976 -22.2976 -19.6064 -19.5966 -19.4463 -19.4333 -19.3896 -19.3871 -17.6691 -17.6679 -7.6332 -7.6329 -4.9648 -4.9619 -4.4170 -4.4127 -3.9915 -3.9896 -0.4035 -0.4008 0.7143 0.7155 2.0556 2.0558 4.7553 4.7599 11.1222 11.1258 11.7672 11.7722 12.3646 12.3673 k = 0.2722 0.2705 0.6730 ( 3344 PWs) bands (ev): -47.5309 -47.5309 -22.2971 -22.2971 -19.6068 -19.5970 -19.4467 -19.4337 -19.3896 -19.3871 -17.6683 -17.6671 -7.6326 -7.6323 -4.9670 -4.9642 -4.4165 -4.4123 -3.9942 -3.9923 -0.4084 -0.4058 0.7162 0.7173 2.0570 2.0572 4.7500 4.7546 11.1621 11.1659 11.7956 11.8010 12.3142 12.3174 k = 0.2667 0.2753 0.6841 ( 3344 PWs) bands (ev): -47.5309 -47.5309 -22.2967 -22.2967 -19.6071 -19.5973 -19.4470 -19.4339 -19.3896 -19.3872 -17.6676 -17.6665 -7.6321 -7.6318 -4.9688 -4.9660 -4.4161 -4.4119 -3.9964 -3.9945 -0.4123 -0.4096 0.7177 0.7187 2.0582 2.0583 4.7459 4.7505 11.1954 11.1994 11.8196 11.8253 12.2711 12.2748 k = 0.2611 0.2801 0.6952 ( 3342 PWs) bands (ev): -47.5309 -47.5309 -22.2964 -22.2964 -19.6073 -19.5975 -19.4473 -19.4341 -19.3896 -19.3872 -17.6672 -17.6660 -7.6318 -7.6315 -4.9701 -4.9674 -4.4157 -4.4115 -3.9979 -3.9961 -0.4150 -0.4124 0.7188 0.7197 2.0590 2.0591 4.7430 4.7476 11.2207 11.2248 11.8381 11.8443 12.2375 12.2416 k = 0.2556 0.2849 0.7063 ( 3334 PWs) bands (ev): -47.5309 -47.5309 -22.2963 -22.2963 -19.6074 -19.5976 -19.4474 -19.4342 -19.3895 -19.3872 -17.6669 -17.6658 -7.6316 -7.6313 -4.9709 -4.9682 -4.4154 -4.4113 -3.9989 -3.9970 -0.4167 -0.4140 0.7194 0.7204 2.0595 2.0595 4.7412 4.7458 11.2365 11.2407 11.8501 11.8566 12.2158 12.2203 k = 0.2500 0.2897 0.7174 ( 3328 PWs) bands (ev): -47.5308 -47.5308 -22.2962 -22.2962 -19.6074 -19.5977 -19.4474 -19.4342 -19.3895 -19.3872 -17.6668 -17.6657 -7.6315 -7.6312 -4.9712 -4.9684 -4.4154 -4.4112 -3.9992 -3.9973 -0.4172 -0.4146 0.7196 0.7206 2.0597 2.0597 4.7406 4.7452 11.2419 11.2461 11.8542 11.8609 12.2083 12.2129 k = 0.3357-0.2897 0.7174 ( 3352 PWs) bands (ev): -47.5312 -47.5312 -22.2914 -22.2911 -19.5978 -19.5929 -19.4316 -19.4286 -19.4026 -19.3951 -17.7055 -17.7054 -7.9034 -7.9027 -4.6177 -4.6143 -4.4136 -4.4129 -4.0721 -4.0675 -0.1046 -0.1021 1.1889 1.1919 1.9262 1.9281 4.9335 4.9349 10.8994 10.9023 11.2473 11.2487 11.9166 11.9177 k = 0.3412-0.2944 0.7064 ( 3352 PWs) bands (ev): -47.5313 -47.5313 -22.2913 -22.2910 -19.5984 -19.5936 -19.4324 -19.4293 -19.4025 -19.3951 -17.7059 -17.7058 -7.9118 -7.9111 -4.5997 -4.5963 -4.4112 -4.4105 -4.0772 -4.0727 -0.0862 -0.0837 1.1950 1.1979 1.9254 1.9273 4.9599 4.9613 10.8719 10.8746 11.2021 11.2034 11.8956 11.8966 k = 0.3467-0.2991 0.6955 ( 3344 PWs) bands (ev): -47.5313 -47.5313 -22.2914 -22.2911 -19.5989 -19.5943 -19.4332 -19.4300 -19.4023 -19.3950 -17.7063 -17.7062 -7.9201 -7.9194 -4.5812 -4.5779 -4.4090 -4.4082 -4.0824 -4.0780 -0.0675 -0.0650 1.2008 1.2038 1.9244 1.9265 4.9866 4.9879 10.8420 10.8443 11.1552 11.1564 11.8749 11.8758 k = 0.3521-0.3039 0.6846 ( 3338 PWs) bands (ev): -47.5313 -47.5313 -22.2914 -22.2911 -19.5994 -19.5950 -19.4340 -19.4307 -19.4021 -19.3949 -17.7066 -17.7065 -7.9282 -7.9276 -4.5625 -4.5592 -4.4068 -4.4061 -4.0875 -4.0832 -0.0487 -0.0462 1.2064 1.2094 1.9234 1.9255 5.0133 5.0146 10.8100 10.8120 11.1067 11.1078 11.8485 11.8522 k = 0.3576-0.3086 0.6737 ( 3334 PWs) bands (ev): -47.5314 -47.5314 -22.2915 -22.2912 -19.6000 -19.5957 -19.4347 -19.4314 -19.4019 -19.3949 -17.7069 -17.7068 -7.9363 -7.9356 -4.5435 -4.5402 -4.4048 -4.4040 -4.0926 -4.0884 -0.0298 -0.0273 1.2117 1.2147 1.9222 1.9244 5.0401 5.0414 10.7765 10.7782 11.0568 11.0578 11.7938 11.7968 k = 0.3631-0.3133 0.6628 ( 3328 PWs) bands (ev): -47.5314 -47.5314 -22.2916 -22.2913 -19.6006 -19.5965 -19.4354 -19.4321 -19.4016 -19.3948 -17.7072 -17.7071 -7.9442 -7.9435 -4.5244 -4.5212 -4.4028 -4.4020 -4.0977 -4.0935 -0.0110 -0.0085 1.2169 1.2199 1.9210 1.9233 5.0669 5.0681 10.7416 10.7430 11.0058 11.0067 11.7350 11.7379 k = 0.3685-0.3180 0.6519 ( 3328 PWs) bands (ev): -47.5314 -47.5314 -22.2917 -22.2915 -19.6012 -19.5972 -19.4361 -19.4328 -19.4013 -19.3947 -17.7075 -17.7074 -7.9519 -7.9512 -4.5053 -4.5021 -4.4010 -4.4002 -4.1027 -4.0986 0.0078 0.0102 1.2217 1.2248 1.9197 1.9220 5.0935 5.0947 10.7057 10.7069 10.9541 10.9551 11.6774 11.6802 k = 0.3740-0.3227 0.6410 ( 3321 PWs) bands (ev): -47.5315 -47.5315 -22.2919 -22.2916 -19.6018 -19.5979 -19.4368 -19.4334 -19.4010 -19.3946 -17.7077 -17.7076 -7.9594 -7.9588 -4.4863 -4.4831 -4.3993 -4.3984 -4.1076 -4.1036 0.0264 0.0288 1.2264 1.2294 1.9183 1.9208 5.1199 5.1209 10.6689 10.6698 10.9025 10.9036 11.6216 11.6242 k = 0.3795-0.3275 0.6301 ( 3323 PWs) bands (ev): -47.5315 -47.5315 -22.2921 -22.2918 -19.6024 -19.5987 -19.4375 -19.4341 -19.4006 -19.3945 -17.7080 -17.7078 -7.9666 -7.9661 -4.4674 -4.4644 -4.3976 -4.3966 -4.1124 -4.1085 0.0448 0.0471 1.2308 1.2338 1.9169 1.9194 5.1458 5.1469 10.6310 10.6318 10.8515 10.8527 11.5675 11.5700 k = 0.3850-0.3322 0.6192 ( 3325 PWs) bands (ev): -47.5315 -47.5315 -22.2923 -22.2921 -19.6030 -19.5994 -19.4382 -19.4348 -19.4003 -19.3944 -17.7081 -17.7080 -7.9737 -7.9731 -4.4489 -4.4459 -4.3959 -4.3949 -4.1171 -4.1132 0.0628 0.0650 1.2349 1.2379 1.9155 1.9180 5.1713 5.1723 10.5922 10.5930 10.8019 10.8032 11.5154 11.5177 k = 0.3904-0.3369 0.6083 ( 3325 PWs) bands (ev): -47.5316 -47.5316 -22.2925 -22.2923 -19.6036 -19.6002 -19.4388 -19.4354 -19.4000 -19.3943 -17.7083 -17.7082 -7.9805 -7.9799 -4.4310 -4.4281 -4.3941 -4.3930 -4.1217 -4.1179 0.0804 0.0826 1.2388 1.2418 1.9140 1.9167 5.1962 5.1972 10.5524 10.5532 10.7543 10.7557 11.4653 11.4675 k = 0.3959-0.3416 0.5973 ( 3320 PWs) bands (ev): -47.5316 -47.5316 -22.2927 -22.2925 -19.6042 -19.6008 -19.4393 -19.4360 -19.3996 -19.3943 -17.7085 -17.7083 -7.9870 -7.9864 -4.4141 -4.4115 -4.3918 -4.3903 -4.1261 -4.1223 0.0976 0.0997 1.2425 1.2455 1.9126 1.9153 5.2205 5.2214 10.5117 10.5125 10.7095 10.7109 11.4175 11.4195 k = 0.4014-0.3463 0.5864 ( 3320 PWs) bands (ev): -47.5317 -47.5317 -22.2930 -22.2928 -19.6048 -19.6015 -19.4399 -19.4366 -19.3992 -19.3942 -17.7086 -17.7085 -7.9932 -7.9927 -4.4006 -4.3992 -4.3864 -4.3843 -4.1304 -4.1267 0.1142 0.1162 1.2459 1.2489 1.9112 1.9139 5.2439 5.2447 10.4702 10.4711 10.6677 10.6691 11.3719 11.3738 k = 0.4068-0.3511 0.5755 ( 3320 PWs) bands (ev): -47.5317 -47.5317 -22.2932 -22.2930 -19.6054 -19.6022 -19.4404 -19.4372 -19.3988 -19.3941 -17.7087 -17.7086 -7.9990 -7.9986 -4.3944 -4.3943 -4.3744 -4.3716 -4.1345 -4.1308 0.1301 0.1321 1.2491 1.2520 1.9098 1.9125 5.2664 5.2672 10.4283 10.4292 10.6292 10.6306 11.3288 11.3306 k = 0.4123-0.3558 0.5646 ( 3320 PWs) bands (ev): -47.5317 -47.5317 -22.2935 -22.2933 -19.6059 -19.6028 -19.4409 -19.4377 -19.3984 -19.3940 -17.7088 -17.7087 -8.0046 -8.0041 -4.3923 -4.3920 -4.3596 -4.3566 -4.1383 -4.1347 0.1453 0.1472 1.2520 1.2549 1.9084 1.9112 5.2879 5.2887 10.3865 10.3873 10.5941 10.5955 11.2881 11.2898 k = 0.4178-0.3605 0.5537 ( 3319 PWs) bands (ev): -47.5318 -47.5318 -22.2937 -22.2935 -19.6064 -19.6035 -19.4414 -19.4382 -19.3980 -19.3939 -17.7089 -17.7087 -8.0098 -8.0094 -4.3911 -4.3905 -4.3447 -4.3417 -4.1420 -4.1385 0.1598 0.1615 1.2547 1.2576 1.9071 1.9099 5.3083 5.3090 10.3452 10.3461 10.5623 10.5636 11.2501 11.2516 k = 0.4232-0.3652 0.5428 ( 3319 PWs) bands (ev): -47.5318 -47.5318 -22.2939 -22.2937 -19.6069 -19.6040 -19.4418 -19.4387 -19.3977 -19.3939 -17.7090 -17.7088 -8.0146 -8.0142 -4.3900 -4.3894 -4.3304 -4.3275 -4.1455 -4.1420 0.1734 0.1750 1.2572 1.2601 1.9058 1.9087 5.3275 5.3282 10.3052 10.3060 10.5336 10.5348 11.2147 11.2161 k = 0.4287-0.3699 0.5319 ( 3316 PWs) bands (ev): -47.5318 -47.5318 -22.2941 -22.2940 -19.6074 -19.6045 -19.4421 -19.4391 -19.3973 -19.3938 -17.7090 -17.7089 -8.0191 -8.0187 -4.3891 -4.3884 -4.3170 -4.3142 -4.1487 -4.1453 0.1861 0.1876 1.2594 1.2623 1.9046 1.9076 5.3454 5.3460 10.2670 10.2677 10.5078 10.5089 11.1821 11.1834 k = 0.4342-0.3747 0.5210 ( 3312 PWs) bands (ev): -47.5318 -47.5318 -22.2943 -22.2942 -19.6078 -19.6050 -19.4425 -19.4395 -19.3969 -19.3938 -17.7091 -17.7089 -8.0232 -8.0228 -4.3884 -4.3876 -4.3045 -4.3017 -4.1516 -4.1484 0.1978 0.1992 1.2614 1.2643 1.9035 1.9065 5.3620 5.3625 10.2311 10.2317 10.4848 10.4858 11.1524 11.1536 k = 0.4396-0.3794 0.5101 ( 3312 PWs) bands (ev): -47.5318 -47.5318 -22.2945 -22.2944 -19.6082 -19.6055 -19.4428 -19.4398 -19.3966 -19.3938 -17.7091 -17.7089 -8.0268 -8.0265 -4.3878 -4.3870 -4.2931 -4.2904 -4.1543 -4.1512 0.2084 0.2097 1.2632 1.2660 1.9025 1.9055 5.3770 5.3774 10.1979 10.1985 10.4643 10.4653 11.1256 11.1267 k = 0.4451-0.3841 0.4991 ( 3314 PWs) bands (ev): -47.5319 -47.5319 -22.2947 -22.2946 -19.6086 -19.6059 -19.4430 -19.4402 -19.3962 -19.3938 -17.7092 -17.7090 -8.0301 -8.0298 -4.3872 -4.3864 -4.2828 -4.2802 -4.1568 -4.1538 0.2179 0.2190 1.2648 1.2676 1.9015 1.9046 5.3904 5.3908 10.1678 10.1683 10.4464 10.4473 11.1018 11.1028 k = 0.4506-0.3888 0.4882 ( 3316 PWs) bands (ev): -47.5319 -47.5319 -22.2948 -22.2947 -19.6089 -19.6062 -19.4433 -19.4405 -19.3959 -19.3938 -17.7092 -17.7090 -8.0330 -8.0327 -4.3867 -4.3859 -4.2736 -4.2713 -4.1589 -4.1561 0.2263 0.2273 1.2662 1.2689 1.9007 1.9038 5.4023 5.4026 10.1412 10.1416 10.4310 10.4318 11.0811 11.0820 k = 0.4561-0.3935 0.4773 ( 3316 PWs) bands (ev): -47.5319 -47.5319 -22.2949 -22.2949 -19.6092 -19.6065 -19.4435 -19.4407 -19.3956 -19.3939 -17.7092 -17.7090 -8.0354 -8.0352 -4.3863 -4.3855 -4.2657 -4.2636 -4.1607 -4.1582 0.2335 0.2343 1.2673 1.2700 1.9000 1.9031 5.4124 5.4127 10.1183 10.1186 10.4179 10.4188 11.0634 11.0643 k = 0.4615-0.3983 0.4664 ( 3312 PWs) bands (ev): -47.5319 -47.5319 -22.2950 -22.2950 -19.6094 -19.6068 -19.4436 -19.4409 -19.3954 -19.3939 -17.7092 -17.7090 -8.0373 -8.0372 -4.3860 -4.3851 -4.2591 -4.2573 -4.1621 -4.1599 0.2394 0.2401 1.2682 1.2709 1.8994 1.9026 5.4208 5.4210 10.0992 10.0996 10.4073 10.4081 11.0490 11.0497 k = 0.4670-0.4030 0.4555 ( 3314 PWs) bands (ev): -47.5319 -47.5319 -22.2951 -22.2951 -19.6096 -19.6070 -19.4438 -19.4410 -19.3951 -19.3941 -17.7092 -17.7091 -8.0389 -8.0388 -4.3858 -4.3849 -4.2538 -4.2524 -4.1633 -4.1614 0.2441 0.2446 1.2689 1.2716 1.8990 1.9021 5.4273 5.4275 10.0842 10.0846 10.3990 10.3998 11.0377 11.0383 k = 0.4725-0.4077 0.4446 ( 3310 PWs) bands (ev): -47.5319 -47.5319 -22.2952 -22.2951 -19.6097 -19.6071 -19.4438 -19.4411 -19.3948 -19.3941 -17.7092 -17.7091 -8.0400 -8.0399 -4.3856 -4.3847 -4.2499 -4.2489 -4.1640 -4.1625 0.2475 0.2478 1.2695 1.2721 1.8986 1.9018 5.4320 5.4321 10.0735 10.0737 10.3931 10.3939 11.0296 11.0302 k = 0.4779-0.4124 0.4337 ( 3312 PWs) bands (ev): -47.5319 -47.5319 -22.2952 -22.2952 -19.6098 -19.6072 -19.4439 -19.4412 -19.3946 -19.3943 -17.7092 -17.7091 -8.0407 -8.0406 -4.3855 -4.3846 -4.2475 -4.2470 -4.1644 -4.1633 0.2496 0.2498 1.2698 1.2724 1.8984 1.9016 5.4349 5.4349 10.0670 10.0672 10.3896 10.3903 11.0247 11.0253 k = 0.4834-0.4171 0.4228 ( 3320 PWs) bands (ev): -47.5320 -47.5320 -22.2952 -22.2952 -19.6099 -19.6073 -19.4439 -19.4412 -19.3945 -19.3945 -17.7093 -17.7091 -8.0409 -8.0408 -4.3854 -4.3845 -4.2465 -4.2465 -4.1645 -4.1635 0.2503 0.2503 1.2699 1.2725 1.8983 1.9015 5.4358 5.4358 10.0648 10.0650 10.3884 10.3891 11.0231 11.0237 k = 0.5166 0.5651 0.0145 ( 3320 PWs) bands (ev): -47.5320 -47.5320 -22.2952 -22.2952 -19.6099 -19.6073 -19.4439 -19.4412 -19.3945 -19.3945 -17.7093 -17.7091 -8.0409 -8.0408 -4.3854 -4.3845 -4.2465 -4.2465 -4.1645 -4.1635 0.2503 0.2503 1.2699 1.2725 1.8983 1.9015 5.4358 5.4358 10.0648 10.0650 10.3884 10.3891 11.0231 11.0237 k = 0.5083 0.5723 0.0073 ( 3312 PWs) bands (ev): -47.5319 -47.5319 -22.2950 -22.2950 -19.6094 -19.6081 -19.4434 -19.4421 -19.3945 -19.3945 -17.7088 -17.7087 -8.0428 -8.0428 -4.3821 -4.3817 -4.2470 -4.2469 -4.1664 -4.1659 0.2510 0.2510 1.2793 1.2806 1.8953 1.8969 5.4364 5.4364 10.0596 10.0597 10.4133 10.4137 10.9900 10.9903 k = 0.5000 0.5794-0.0000 ( 3312 PWs) bands (ev): -47.5319 -47.5319 -22.2950 -22.2950 -19.6089 -19.6089 -19.4428 -19.4428 -19.3945 -19.3945 -17.7086 -17.7086 -8.0435 -8.0435 -4.3809 -4.3809 -4.2471 -4.2471 -4.1668 -4.1668 0.2512 0.2512 1.2829 1.2829 1.8947 1.8947 5.4366 5.4366 10.0579 10.0579 10.4225 10.4225 10.9783 10.9783 Writing output data file NaNO2.save init_run : 2.99s CPU 10.48s WALL ( 1 calls) electrons : 365.09s CPU 371.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.27s CPU 2.07s WALL ( 1 calls) Called by electrons: c_bands : 365.07s CPU 371.18s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.83s WALL ( 1 calls) v_h : 0.01s CPU 0.06s WALL ( 1 calls) v_xc : 0.04s CPU 0.54s WALL ( 1 calls) newd : 0.43s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 459 calls) cegterg : 339.63s CPU 342.22s WALL ( 835 calls) Called by sum_band: Called by *egterg: h_psi : 178.94s CPU 185.59s WALL ( 14265 calls) s_psi : 5.16s CPU 5.87s WALL ( 14265 calls) g_psi : 0.39s CPU 0.47s WALL ( 12971 calls) cdiaghg : 109.06s CPU 106.85s WALL ( 13430 calls) cegterg:over : 28.24s CPU 25.19s WALL ( 12971 calls) cegterg:upda : 3.64s CPU 6.73s WALL ( 12971 calls) cegterg:last : 3.86s CPU 4.74s WALL ( 2464 calls) Called by h_psi: h_psi:vloc : 161.56s CPU 167.72s WALL ( 14265 calls) h_psi:vnl : 17.25s CPU 17.44s WALL ( 14265 calls) add_vuspsi : 2.49s CPU 4.90s WALL ( 14265 calls) General routines calbec : 14.72s CPU 12.45s WALL ( 14265 calls) fft : 0.64s CPU 1.55s WALL ( 19 calls) ffts : 0.02s CPU 0.53s WALL ( 4 calls) fftw : 156.33s CPU 160.65s WALL ( 1007316 calls) interpolate : 0.07s CPU 0.58s WALL ( 4 calls) davcio : 0.03s CPU 2.10s WALL ( 918 calls) Parallel routines fft_scatter : 102.91s CPU 105.34s WALL ( 1007339 calls) PWSCF : 6m52.57s CPU 8m24.30s WALL This run was terminated on: 16:24: 9 9Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=