Program PWSCF v.5.1.1 starts on 8Oct2015 at 19:50:43 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaNO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 28 8 716 533 84 Max 34 29 9 722 549 87 Sum 1623 1345 395 34515 25961 4117 bravais-lattice index = 14 lattice parameter (alat) = 7.9996 a.u. unit-cell volume = 350.9422 (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)= 7.999576 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.657733 celldm(5)= -0.192726 celldm(6)= -0.149541 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.149541 0.988756 0.000000 ) a(3) = ( -0.192726 -0.694361 0.693339 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.151241 0.429433 ) b(2) = ( 0.000000 1.011372 1.012863 ) b(3) = ( 0.000000 0.000000 1.442295 ) 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= 460 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( -0.0055653 0.0047869 0.0112737), wk = 0.0021739 k( 3) = ( -0.0111305 0.0095737 0.0225474), wk = 0.0021739 k( 4) = ( -0.0166958 0.0143606 0.0338212), wk = 0.0021739 k( 5) = ( -0.0222611 0.0191475 0.0450949), wk = 0.0021739 k( 6) = ( -0.0278264 0.0239343 0.0563686), wk = 0.0021739 k( 7) = ( -0.0333917 0.0287212 0.0676423), wk = 0.0021739 k( 8) = ( -0.0389569 0.0335081 0.0789161), wk = 0.0021739 k( 9) = ( -0.0445222 0.0382949 0.0901898), wk = 0.0021739 k( 10) = ( -0.0500875 0.0430818 0.1014635), wk = 0.0021739 k( 11) = ( -0.0556528 0.0478687 0.1127372), wk = 0.0021739 k( 12) = ( -0.0612181 0.0526555 0.1240110), wk = 0.0021739 k( 13) = ( -0.0667833 0.0574424 0.1352847), wk = 0.0021739 k( 14) = ( -0.0723486 0.0622293 0.1465584), wk = 0.0021739 k( 15) = ( -0.0779139 0.0670161 0.1578321), wk = 0.0021739 k( 16) = ( -0.0834792 0.0718030 0.1691058), wk = 0.0021739 k( 17) = ( -0.0890444 0.0765899 0.1803796), wk = 0.0021739 k( 18) = ( -0.0946097 0.0813767 0.1916533), wk = 0.0021739 k( 19) = ( -0.1001750 0.0861636 0.2029270), wk = 0.0021739 k( 20) = ( -0.1057403 0.0909505 0.2142007), wk = 0.0021739 k( 21) = ( -0.1113055 0.0957373 0.2254744), wk = 0.0021739 k( 22) = ( -0.1168708 0.1005242 0.2367482), wk = 0.0021739 k( 23) = ( -0.1224361 0.1053111 0.2480219), wk = 0.0021739 k( 24) = ( -0.1280014 0.1100979 0.2592956), wk = 0.0021739 k( 25) = ( -0.1335667 0.1148848 0.2705693), wk = 0.0021739 k( 26) = ( -0.1391319 0.1196717 0.2818431), wk = 0.0021739 k( 27) = ( -0.1446972 0.1244585 0.2931168), wk = 0.0021739 k( 28) = ( -0.1502625 0.1292454 0.3043905), wk = 0.0021739 k( 29) = ( -0.1558278 0.1340323 0.3156642), wk = 0.0021739 k( 30) = ( -0.1613930 0.1388191 0.3269379), wk = 0.0021739 k( 31) = ( -0.1669583 0.1436060 0.3382117), wk = 0.0021739 k( 32) = ( -0.1725236 0.1483929 0.3494854), wk = 0.0021739 k( 33) = ( -0.1780889 0.1531797 0.3607591), wk = 0.0021739 k( 34) = ( -0.1836541 0.1579666 0.3720328), wk = 0.0021739 k( 35) = ( -0.1892194 0.1627535 0.3833066), wk = 0.0021739 k( 36) = ( -0.1947847 0.1675404 0.3945803), wk = 0.0021739 k( 37) = ( -0.2003500 0.1723272 0.4058540), wk = 0.0021739 k( 38) = ( -0.2059152 0.1771141 0.4171277), wk = 0.0021739 k( 39) = ( -0.2114805 0.1819010 0.4284015), wk = 0.0021739 k( 40) = ( -0.2170458 0.1866878 0.4396752), wk = 0.0021739 k( 41) = ( -0.2226111 0.1914747 0.4509489), wk = 0.0021739 k( 42) = ( -0.2281764 0.1962616 0.4622226), wk = 0.0021739 k( 43) = ( -0.2337416 0.2010484 0.4734963), wk = 0.0021739 k( 44) = ( -0.2393069 0.2058353 0.4847701), wk = 0.0021739 k( 45) = ( -0.2448722 0.2106222 0.4960438), wk = 0.0021739 k( 46) = ( -0.2504375 0.2154090 0.5073175), wk = 0.0021739 k( 47) = ( -0.2560027 0.2201959 0.5185912), wk = 0.0021739 k( 48) = ( -0.2615680 0.2249828 0.5298649), wk = 0.0021739 k( 49) = ( -0.2671333 0.2297696 0.5411387), wk = 0.0021739 k( 50) = ( -0.2726986 0.2345565 0.5524124), wk = 0.0021739 k( 51) = ( -0.2782638 0.2393434 0.5636861), wk = 0.0021739 k( 52) = ( -0.2838291 0.2441302 0.5749598), wk = 0.0021739 k( 53) = ( -0.2893944 0.2489171 0.5862336), wk = 0.0021739 k( 54) = ( -0.2949597 0.2537040 0.5975073), wk = 0.0021739 k( 55) = ( -0.3005250 0.2584908 0.6087810), wk = 0.0021739 k( 56) = ( -0.3060902 0.2632777 0.6200547), wk = 0.0021739 k( 57) = ( -0.3116555 0.2680646 0.6313284), wk = 0.0021739 k( 58) = ( -0.3172208 0.2728514 0.6426022), wk = 0.0021739 k( 59) = ( -0.3227861 0.2776383 0.6538759), wk = 0.0021739 k( 60) = ( -0.3283513 0.2824252 0.6651496), wk = 0.0021739 k( 61) = ( -0.3339166 0.2872120 0.6764233), wk = 0.0021739 k( 62) = ( -0.3394819 0.2919989 0.6876971), wk = 0.0021739 k( 63) = ( -0.3450472 0.2967858 0.6989708), wk = 0.0021739 k( 64) = ( -0.3506125 0.3015726 0.7102445), wk = 0.0021739 k( 65) = ( -0.3506125 0.3015726 0.7102445), wk = 0.0021739 k( 66) = ( -0.3442650 0.2961130 0.7156961), wk = 0.0021739 k( 67) = ( -0.3379176 0.2906534 0.7211477), wk = 0.0021739 k( 68) = ( -0.3379176 0.2906534 0.7211477), wk = 0.0021739 k( 69) = ( -0.3279789 0.2821048 0.7211477), wk = 0.0021739 k( 70) = ( -0.3180401 0.2735562 0.7211477), wk = 0.0021739 k( 71) = ( -0.3081014 0.2650075 0.7211477), wk = 0.0021739 k( 72) = ( -0.2981626 0.2564589 0.7211477), wk = 0.0021739 k( 73) = ( -0.2882239 0.2479103 0.7211477), wk = 0.0021739 k( 74) = ( -0.2782851 0.2393616 0.7211477), wk = 0.0021739 k( 75) = ( -0.2683463 0.2308130 0.7211477), wk = 0.0021739 k( 76) = ( -0.2584076 0.2222644 0.7211477), wk = 0.0021739 k( 77) = ( -0.2484688 0.2137157 0.7211477), wk = 0.0021739 k( 78) = ( -0.2385301 0.2051671 0.7211477), wk = 0.0021739 k( 79) = ( -0.2285913 0.1966185 0.7211477), wk = 0.0021739 k( 80) = ( -0.2186526 0.1880698 0.7211477), wk = 0.0021739 k( 81) = ( -0.2087138 0.1795212 0.7211477), wk = 0.0021739 k( 82) = ( -0.1987751 0.1709726 0.7211477), wk = 0.0021739 k( 83) = ( -0.1888363 0.1624240 0.7211477), wk = 0.0021739 k( 84) = ( -0.1788976 0.1538753 0.7211477), wk = 0.0021739 k( 85) = ( -0.1689588 0.1453267 0.7211477), wk = 0.0021739 k( 86) = ( -0.1590200 0.1367781 0.7211477), wk = 0.0021739 k( 87) = ( -0.1490813 0.1282294 0.7211477), wk = 0.0021739 k( 88) = ( -0.1391426 0.1196808 0.7211477), wk = 0.0021739 k( 89) = ( -0.1292038 0.1111322 0.7211477), wk = 0.0021739 k( 90) = ( -0.1192650 0.1025836 0.7211477), wk = 0.0021739 k( 91) = ( -0.1093263 0.0940349 0.7211477), wk = 0.0021739 k( 92) = ( -0.0993875 0.0854863 0.7211477), wk = 0.0021739 k( 93) = ( -0.0894488 0.0769377 0.7211477), wk = 0.0021739 k( 94) = ( -0.0795100 0.0683890 0.7211477), wk = 0.0021739 k( 95) = ( -0.0695713 0.0598404 0.7211477), wk = 0.0021739 k( 96) = ( -0.0596325 0.0512918 0.7211477), wk = 0.0021739 k( 97) = ( -0.0496938 0.0427432 0.7211477), wk = 0.0021739 k( 98) = ( -0.0397550 0.0341945 0.7211477), wk = 0.0021739 k( 99) = ( -0.0298163 0.0256459 0.7211477), wk = 0.0021739 k( 100) = ( -0.0198775 0.0170973 0.7211477), wk = 0.0021739 k( 101) = ( -0.0099387 0.0085486 0.7211477), wk = 0.0021739 k( 102) = ( 0.0000000 0.0000000 0.7211477), wk = 0.0021739 k( 103) = ( 0.0000000 0.0000000 0.7211477), wk = 0.0021739 k( 104) = ( 0.0086207 0.0100225 0.7211477), wk = 0.0021739 k( 105) = ( 0.0172414 0.0200451 0.7211477), wk = 0.0021739 k( 106) = ( 0.0258621 0.0300676 0.7211477), wk = 0.0021739 k( 107) = ( 0.0344828 0.0400901 0.7211477), wk = 0.0021739 k( 108) = ( 0.0431035 0.0501127 0.7211477), wk = 0.0021739 k( 109) = ( 0.0517241 0.0601352 0.7211477), wk = 0.0021739 k( 110) = ( 0.0603448 0.0701577 0.7211477), wk = 0.0021739 k( 111) = ( 0.0689655 0.0801803 0.7211477), wk = 0.0021739 k( 112) = ( 0.0775862 0.0902028 0.7211477), wk = 0.0021739 k( 113) = ( 0.0862069 0.1002253 0.7211477), wk = 0.0021739 k( 114) = ( 0.0948276 0.1102478 0.7211477), wk = 0.0021739 k( 115) = ( 0.1034483 0.1202704 0.7211477), wk = 0.0021739 k( 116) = ( 0.1120690 0.1302929 0.7211477), wk = 0.0021739 k( 117) = ( 0.1206897 0.1403154 0.7211477), wk = 0.0021739 k( 118) = ( 0.1293103 0.1503380 0.7211477), wk = 0.0021739 k( 119) = ( 0.1379310 0.1603605 0.7211477), wk = 0.0021739 k( 120) = ( 0.1465517 0.1703830 0.7211477), wk = 0.0021739 k( 121) = ( 0.1551724 0.1804056 0.7211477), wk = 0.0021739 k( 122) = ( 0.1637931 0.1904281 0.7211477), wk = 0.0021739 k( 123) = ( 0.1724138 0.2004506 0.7211477), wk = 0.0021739 k( 124) = ( 0.1810345 0.2104732 0.7211477), wk = 0.0021739 k( 125) = ( 0.1896552 0.2204957 0.7211477), wk = 0.0021739 k( 126) = ( 0.1982759 0.2305182 0.7211477), wk = 0.0021739 k( 127) = ( 0.2068966 0.2405407 0.7211477), wk = 0.0021739 k( 128) = ( 0.2155172 0.2505633 0.7211477), wk = 0.0021739 k( 129) = ( 0.2241379 0.2605858 0.7211477), wk = 0.0021739 k( 130) = ( 0.2327586 0.2706083 0.7211477), wk = 0.0021739 k( 131) = ( 0.2413793 0.2806309 0.7211477), wk = 0.0021739 k( 132) = ( 0.2500000 0.2906534 0.7211477), wk = 0.0021739 k( 133) = ( 0.2500000 0.2906534 0.7211477), wk = 0.0021739 k( 134) = ( 0.2416667 0.2978212 0.7139905), wk = 0.0021739 k( 135) = ( 0.2333333 0.3049889 0.7068332), wk = 0.0021739 k( 136) = ( 0.2250000 0.3121567 0.6996760), wk = 0.0021739 k( 137) = ( 0.2166667 0.3193244 0.6925188), wk = 0.0021739 k( 138) = ( 0.2083333 0.3264922 0.6853616), wk = 0.0021739 k( 139) = ( 0.2000000 0.3336600 0.6782044), wk = 0.0021739 k( 140) = ( 0.1916667 0.3408277 0.6710472), wk = 0.0021739 k( 141) = ( 0.1833333 0.3479955 0.6638900), wk = 0.0021739 k( 142) = ( 0.1750000 0.3551632 0.6567328), wk = 0.0021739 k( 143) = ( 0.1666667 0.3623310 0.6495756), wk = 0.0021739 k( 144) = ( 0.1583333 0.3694988 0.6424183), wk = 0.0021739 k( 145) = ( 0.1500000 0.3766665 0.6352611), wk = 0.0021739 k( 146) = ( 0.1416667 0.3838343 0.6281039), wk = 0.0021739 k( 147) = ( 0.1333333 0.3910020 0.6209467), wk = 0.0021739 k( 148) = ( 0.1250000 0.3981698 0.6137895), wk = 0.0021739 k( 149) = ( 0.1166667 0.4053375 0.6066323), wk = 0.0021739 k( 150) = ( 0.1083333 0.4125053 0.5994751), wk = 0.0021739 k( 151) = ( 0.1000000 0.4196731 0.5923179), wk = 0.0021739 k( 152) = ( 0.0916667 0.4268408 0.5851606), wk = 0.0021739 k( 153) = ( 0.0833333 0.4340086 0.5780034), wk = 0.0021739 k( 154) = ( 0.0750000 0.4411763 0.5708462), wk = 0.0021739 k( 155) = ( 0.0666667 0.4483441 0.5636890), wk = 0.0021739 k( 156) = ( 0.0583333 0.4555118 0.5565318), wk = 0.0021739 k( 157) = ( 0.0500000 0.4626796 0.5493746), wk = 0.0021739 k( 158) = ( 0.0416667 0.4698474 0.5422174), wk = 0.0021739 k( 159) = ( 0.0333333 0.4770151 0.5350602), wk = 0.0021739 k( 160) = ( 0.0250000 0.4841829 0.5279030), wk = 0.0021739 k( 161) = ( 0.0166667 0.4913506 0.5207457), wk = 0.0021739 k( 162) = ( 0.0083333 0.4985184 0.5135885), wk = 0.0021739 k( 163) = ( 0.0000000 0.5056862 0.5064313), wk = 0.0021739 k( 164) = ( 0.0000000 0.5056862 0.5064313), wk = 0.0021739 k( 165) = ( 0.0103121 0.5116895 0.5004368), wk = 0.0021739 k( 166) = ( 0.0206243 0.5176928 0.4944423), wk = 0.0021739 k( 167) = ( 0.0309364 0.5236962 0.4884478), wk = 0.0021739 k( 168) = ( 0.0412485 0.5296995 0.4824533), wk = 0.0021739 k( 169) = ( 0.0515606 0.5357028 0.4764588), wk = 0.0021739 k( 170) = ( 0.0618728 0.5417062 0.4704643), wk = 0.0021739 k( 171) = ( 0.0721849 0.5477095 0.4644698), wk = 0.0021739 k( 172) = ( 0.0824971 0.5537129 0.4584753), wk = 0.0021739 k( 173) = ( 0.0928092 0.5597162 0.4524808), wk = 0.0021739 k( 174) = ( 0.1031213 0.5657195 0.4464863), wk = 0.0021739 k( 175) = ( 0.1134334 0.5717229 0.4404918), wk = 0.0021739 k( 176) = ( 0.1237456 0.5777262 0.4344973), wk = 0.0021739 k( 177) = ( 0.1340577 0.5837296 0.4285028), wk = 0.0021739 k( 178) = ( 0.1443698 0.5897329 0.4225082), wk = 0.0021739 k( 179) = ( 0.1546820 0.5957362 0.4165137), wk = 0.0021739 k( 180) = ( 0.1649941 0.6017396 0.4105192), wk = 0.0021739 k( 181) = ( 0.1753062 0.6077429 0.4045247), wk = 0.0021739 k( 182) = ( 0.1856184 0.6137463 0.3985302), wk = 0.0021739 k( 183) = ( 0.1959305 0.6197496 0.3925357), wk = 0.0021739 k( 184) = ( 0.2062426 0.6257529 0.3865412), wk = 0.0021739 k( 185) = ( 0.2165547 0.6317563 0.3805467), wk = 0.0021739 k( 186) = ( 0.2268669 0.6377596 0.3745522), wk = 0.0021739 k( 187) = ( 0.2371790 0.6437629 0.3685577), wk = 0.0021739 k( 188) = ( 0.2474911 0.6497663 0.3625632), wk = 0.0021739 k( 189) = ( 0.2578033 0.6557696 0.3565687), wk = 0.0021739 k( 190) = ( 0.2681154 0.6617730 0.3505742), wk = 0.0021739 k( 191) = ( 0.2784275 0.6677763 0.3445797), wk = 0.0021739 k( 192) = ( 0.2887397 0.6737796 0.3385852), wk = 0.0021739 k( 193) = ( 0.2990518 0.6797830 0.3325907), wk = 0.0021739 k( 194) = ( 0.3093639 0.6857863 0.3265961), wk = 0.0021739 k( 195) = ( 0.3196761 0.6917897 0.3206016), wk = 0.0021739 k( 196) = ( 0.3299882 0.6977930 0.3146071), wk = 0.0021739 k( 197) = ( 0.3403003 0.7037963 0.3086126), wk = 0.0021739 k( 198) = ( 0.3506125 0.7097997 0.3026181), wk = 0.0021739 k( 199) = ( 0.3506125 0.7097997 0.3026181), wk = 0.0021739 k( 200) = ( 0.3561453 0.7050407 0.2914101), wk = 0.0021739 k( 201) = ( 0.3616782 0.7002817 0.2802020), wk = 0.0021739 k( 202) = ( 0.3672111 0.6955227 0.2689939), wk = 0.0021739 k( 203) = ( 0.3727439 0.6907637 0.2577858), wk = 0.0021739 k( 204) = ( 0.3782768 0.6860047 0.2465777), wk = 0.0021739 k( 205) = ( 0.3838097 0.6812457 0.2353696), wk = 0.0021739 k( 206) = ( 0.3893426 0.6764867 0.2241616), wk = 0.0021739 k( 207) = ( 0.3948754 0.6717277 0.2129535), wk = 0.0021739 k( 208) = ( 0.4004083 0.6669687 0.2017454), wk = 0.0021739 k( 209) = ( 0.4059412 0.6622097 0.1905373), wk = 0.0021739 k( 210) = ( 0.4114740 0.6574507 0.1793293), wk = 0.0021739 k( 211) = ( 0.4170069 0.6526917 0.1681212), wk = 0.0021739 k( 212) = ( 0.4225398 0.6479327 0.1569131), wk = 0.0021739 k( 213) = ( 0.4280727 0.6431738 0.1457050), wk = 0.0021739 k( 214) = ( 0.4336055 0.6384148 0.1344970), wk = 0.0021739 k( 215) = ( 0.4391384 0.6336558 0.1232889), wk = 0.0021739 k( 216) = ( 0.4446713 0.6288968 0.1120808), wk = 0.0021739 k( 217) = ( 0.4502042 0.6241378 0.1008727), wk = 0.0021739 k( 218) = ( 0.4557370 0.6193788 0.0896646), wk = 0.0021739 k( 219) = ( 0.4612699 0.6146198 0.0784565), wk = 0.0021739 k( 220) = ( 0.4668028 0.6098608 0.0672485), wk = 0.0021739 k( 221) = ( 0.4723356 0.6051018 0.0560404), wk = 0.0021739 k( 222) = ( 0.4778685 0.6003428 0.0448323), wk = 0.0021739 k( 223) = ( 0.4834014 0.5955838 0.0336242), wk = 0.0021739 k( 224) = ( 0.4889343 0.5908248 0.0224161), wk = 0.0021739 k( 225) = ( 0.4944671 0.5860658 0.0112081), wk = 0.0021739 k( 226) = ( 0.5000000 0.5813068 -0.0000000), wk = 0.0021739 k( 227) = ( 0.5000000 0.5813068 -0.0000000), wk = 0.0021739 k( 228) = ( 0.4912281 0.5711085 -0.0000000), wk = 0.0021739 k( 229) = ( 0.4824561 0.5609101 -0.0000000), wk = 0.0021739 k( 230) = ( 0.4736842 0.5507117 -0.0000000), wk = 0.0021739 k( 231) = ( 0.4649123 0.5405134 -0.0000000), wk = 0.0021739 k( 232) = ( 0.4561404 0.5303150 -0.0000000), wk = 0.0021739 k( 233) = ( 0.4473684 0.5201166 -0.0000000), wk = 0.0021739 k( 234) = ( 0.4385965 0.5099183 -0.0000000), wk = 0.0021739 k( 235) = ( 0.4298246 0.4997199 -0.0000000), wk = 0.0021739 k( 236) = ( 0.4210526 0.4895215 -0.0000000), wk = 0.0021739 k( 237) = ( 0.4122807 0.4793232 -0.0000000), wk = 0.0021739 k( 238) = ( 0.4035088 0.4691248 -0.0000000), wk = 0.0021739 k( 239) = ( 0.3947368 0.4589264 -0.0000000), wk = 0.0021739 k( 240) = ( 0.3859649 0.4487281 -0.0000000), wk = 0.0021739 k( 241) = ( 0.3771930 0.4385297 -0.0000000), wk = 0.0021739 k( 242) = ( 0.3684211 0.4283313 -0.0000000), wk = 0.0021739 k( 243) = ( 0.3596491 0.4181330 -0.0000000), wk = 0.0021739 k( 244) = ( 0.3508772 0.4079346 -0.0000000), wk = 0.0021739 k( 245) = ( 0.3421053 0.3977362 -0.0000000), wk = 0.0021739 k( 246) = ( 0.3333333 0.3875379 -0.0000000), wk = 0.0021739 k( 247) = ( 0.3245614 0.3773395 -0.0000000), wk = 0.0021739 k( 248) = ( 0.3157895 0.3671411 -0.0000000), wk = 0.0021739 k( 249) = ( 0.3070175 0.3569428 -0.0000000), wk = 0.0021739 k( 250) = ( 0.2982456 0.3467444 -0.0000000), wk = 0.0021739 k( 251) = ( 0.2894737 0.3365460 -0.0000000), wk = 0.0021739 k( 252) = ( 0.2807018 0.3263477 -0.0000000), wk = 0.0021739 k( 253) = ( 0.2719298 0.3161493 -0.0000000), wk = 0.0021739 k( 254) = ( 0.2631579 0.3059510 -0.0000000), wk = 0.0021739 k( 255) = ( 0.2543860 0.2957526 -0.0000000), wk = 0.0021739 k( 256) = ( 0.2456140 0.2855542 -0.0000000), wk = 0.0021739 k( 257) = ( 0.2368421 0.2753559 -0.0000000), wk = 0.0021739 k( 258) = ( 0.2280702 0.2651575 -0.0000000), wk = 0.0021739 k( 259) = ( 0.2192983 0.2549591 -0.0000000), wk = 0.0021739 k( 260) = ( 0.2105263 0.2447608 -0.0000000), wk = 0.0021739 k( 261) = ( 0.2017544 0.2345624 -0.0000000), wk = 0.0021739 k( 262) = ( 0.1929825 0.2243640 -0.0000000), wk = 0.0021739 k( 263) = ( 0.1842105 0.2141657 -0.0000000), wk = 0.0021739 k( 264) = ( 0.1754386 0.2039673 -0.0000000), wk = 0.0021739 k( 265) = ( 0.1666667 0.1937689 -0.0000000), wk = 0.0021739 k( 266) = ( 0.1578947 0.1835706 -0.0000000), wk = 0.0021739 k( 267) = ( 0.1491228 0.1733722 -0.0000000), wk = 0.0021739 k( 268) = ( 0.1403509 0.1631738 -0.0000000), wk = 0.0021739 k( 269) = ( 0.1315790 0.1529755 -0.0000000), wk = 0.0021739 k( 270) = ( 0.1228070 0.1427771 -0.0000000), wk = 0.0021739 k( 271) = ( 0.1140351 0.1325788 -0.0000000), wk = 0.0021739 k( 272) = ( 0.1052632 0.1223804 -0.0000000), wk = 0.0021739 k( 273) = ( 0.0964912 0.1121820 -0.0000000), wk = 0.0021739 k( 274) = ( 0.0877193 0.1019837 -0.0000000), wk = 0.0021739 k( 275) = ( 0.0789474 0.0917853 -0.0000000), wk = 0.0021739 k( 276) = ( 0.0701754 0.0815869 -0.0000000), wk = 0.0021739 k( 277) = ( 0.0614035 0.0713886 -0.0000000), wk = 0.0021739 k( 278) = ( 0.0526316 0.0611902 -0.0000000), wk = 0.0021739 k( 279) = ( 0.0438597 0.0509918 -0.0000000), wk = 0.0021739 k( 280) = ( 0.0350877 0.0407935 -0.0000000), wk = 0.0021739 k( 281) = ( 0.0263158 0.0305951 -0.0000000), wk = 0.0021739 k( 282) = ( 0.0175439 0.0203967 -0.0000000), wk = 0.0021739 k( 283) = ( 0.0087719 0.0101984 -0.0000000), wk = 0.0021739 k( 284) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 285) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 286) = ( 0.0085492 -0.0073534 0.0073426), wk = 0.0021739 k( 287) = ( 0.0170984 -0.0147069 0.0146852), wk = 0.0021739 k( 288) = ( 0.0256476 -0.0220603 0.0220279), wk = 0.0021739 k( 289) = ( 0.0341969 -0.0294138 0.0293705), wk = 0.0021739 k( 290) = ( 0.0427461 -0.0367672 0.0367131), wk = 0.0021739 k( 291) = ( 0.0512953 -0.0441207 0.0440557), wk = 0.0021739 k( 292) = ( 0.0598445 -0.0514741 0.0513984), wk = 0.0021739 k( 293) = ( 0.0683937 -0.0588275 0.0587410), wk = 0.0021739 k( 294) = ( 0.0769429 -0.0661810 0.0660836), wk = 0.0021739 k( 295) = ( 0.0854921 -0.0735344 0.0734262), wk = 0.0021739 k( 296) = ( 0.0940413 -0.0808879 0.0807689), wk = 0.0021739 k( 297) = ( 0.1025906 -0.0882413 0.0881115), wk = 0.0021739 k( 298) = ( 0.1111398 -0.0955948 0.0954541), wk = 0.0021739 k( 299) = ( 0.1196890 -0.1029482 0.1027967), wk = 0.0021739 k( 300) = ( 0.1282382 -0.1103016 0.1101393), wk = 0.0021739 k( 301) = ( 0.1367874 -0.1176551 0.1174820), wk = 0.0021739 k( 302) = ( 0.1453366 -0.1250085 0.1248246), wk = 0.0021739 k( 303) = ( 0.1538858 -0.1323620 0.1321672), wk = 0.0021739 k( 304) = ( 0.1624350 -0.1397154 0.1395098), wk = 0.0021739 k( 305) = ( 0.1709843 -0.1470689 0.1468525), wk = 0.0021739 k( 306) = ( 0.1795335 -0.1544223 0.1541951), wk = 0.0021739 k( 307) = ( 0.1880827 -0.1617757 0.1615377), wk = 0.0021739 k( 308) = ( 0.1966319 -0.1691292 0.1688803), wk = 0.0021739 k( 309) = ( 0.2051811 -0.1764826 0.1762230), wk = 0.0021739 k( 310) = ( 0.2137303 -0.1838361 0.1835656), wk = 0.0021739 k( 311) = ( 0.2222795 -0.1911895 0.1909082), wk = 0.0021739 k( 312) = ( 0.2308288 -0.1985430 0.1982508), wk = 0.0021739 k( 313) = ( 0.2393780 -0.2058964 0.2055934), wk = 0.0021739 k( 314) = ( 0.2479272 -0.2132499 0.2129361), wk = 0.0021739 k( 315) = ( 0.2564764 -0.2206033 0.2202787), wk = 0.0021739 k( 316) = ( 0.2650256 -0.2279567 0.2276213), wk = 0.0021739 k( 317) = ( 0.2735748 -0.2353102 0.2349639), wk = 0.0021739 k( 318) = ( 0.2821240 -0.2426636 0.2423066), wk = 0.0021739 k( 319) = ( 0.2906733 -0.2500171 0.2496492), wk = 0.0021739 k( 320) = ( 0.2992225 -0.2573705 0.2569918), wk = 0.0021739 k( 321) = ( 0.3077717 -0.2647240 0.2643344), wk = 0.0021739 k( 322) = ( 0.3163209 -0.2720774 0.2716771), wk = 0.0021739 k( 323) = ( 0.3248701 -0.2794308 0.2790197), wk = 0.0021739 k( 324) = ( 0.3334193 -0.2867843 0.2863623), wk = 0.0021739 k( 325) = ( 0.3419685 -0.2941377 0.2937049), wk = 0.0021739 k( 326) = ( 0.3505178 -0.3014912 0.3010476), wk = 0.0021739 k( 327) = ( 0.3590670 -0.3088446 0.3083902), wk = 0.0021739 k( 328) = ( 0.3676162 -0.3161981 0.3157328), wk = 0.0021739 k( 329) = ( 0.3761654 -0.3235515 0.3230754), wk = 0.0021739 k( 330) = ( 0.3847146 -0.3309049 0.3304180), wk = 0.0021739 k( 331) = ( 0.3932638 -0.3382584 0.3377607), wk = 0.0021739 k( 332) = ( 0.4018130 -0.3456118 0.3451033), wk = 0.0021739 k( 333) = ( 0.4103622 -0.3529653 0.3524459), wk = 0.0021739 k( 334) = ( 0.4189115 -0.3603187 0.3597885), wk = 0.0021739 k( 335) = ( 0.4274607 -0.3676722 0.3671312), wk = 0.0021739 k( 336) = ( 0.4360099 -0.3750256 0.3744738), wk = 0.0021739 k( 337) = ( 0.4445591 -0.3823791 0.3818164), wk = 0.0021739 k( 338) = ( 0.4531083 -0.3897325 0.3891590), wk = 0.0021739 k( 339) = ( 0.4616575 -0.3970859 0.3965017), wk = 0.0021739 k( 340) = ( 0.4702067 -0.4044394 0.4038443), wk = 0.0021739 k( 341) = ( 0.4787559 -0.4117928 0.4111869), wk = 0.0021739 k( 342) = ( 0.4873052 -0.4191463 0.4185295), wk = 0.0021739 k( 343) = ( 0.4873052 -0.4191463 0.4185295), wk = 0.0021739 k( 344) = ( 0.4876225 -0.4067771 0.4134342), wk = 0.0021739 k( 345) = ( 0.4879399 -0.3944079 0.4083389), wk = 0.0021739 k( 346) = ( 0.4882573 -0.3820387 0.4032435), wk = 0.0021739 k( 347) = ( 0.4885746 -0.3696696 0.3981482), wk = 0.0021739 k( 348) = ( 0.4888920 -0.3573004 0.3930529), wk = 0.0021739 k( 349) = ( 0.4892094 -0.3449312 0.3879576), wk = 0.0021739 k( 350) = ( 0.4895268 -0.3325621 0.3828622), wk = 0.0021739 k( 351) = ( 0.4898441 -0.3201929 0.3777669), wk = 0.0021739 k( 352) = ( 0.4901615 -0.3078237 0.3726716), wk = 0.0021739 k( 353) = ( 0.4904789 -0.2954545 0.3675762), wk = 0.0021739 k( 354) = ( 0.4907962 -0.2830854 0.3624809), wk = 0.0021739 k( 355) = ( 0.4911136 -0.2707162 0.3573856), wk = 0.0021739 k( 356) = ( 0.4914310 -0.2583470 0.3522902), wk = 0.0021739 k( 357) = ( 0.4917484 -0.2459778 0.3471949), wk = 0.0021739 k( 358) = ( 0.4920657 -0.2336087 0.3420996), wk = 0.0021739 k( 359) = ( 0.4923831 -0.2212395 0.3370043), wk = 0.0021739 k( 360) = ( 0.4927005 -0.2088703 0.3319089), wk = 0.0021739 k( 361) = ( 0.4930178 -0.1965011 0.3268136), wk = 0.0021739 k( 362) = ( 0.4933352 -0.1841320 0.3217183), wk = 0.0021739 k( 363) = ( 0.4936526 -0.1717628 0.3166229), wk = 0.0021739 k( 364) = ( 0.4939699 -0.1593936 0.3115276), wk = 0.0021739 k( 365) = ( 0.4942873 -0.1470245 0.3064323), wk = 0.0021739 k( 366) = ( 0.4946047 -0.1346553 0.3013369), wk = 0.0021739 k( 367) = ( 0.4949221 -0.1222861 0.2962416), wk = 0.0021739 k( 368) = ( 0.4952394 -0.1099169 0.2911463), wk = 0.0021739 k( 369) = ( 0.4955568 -0.0975478 0.2860510), wk = 0.0021739 k( 370) = ( 0.4958742 -0.0851786 0.2809556), wk = 0.0021739 k( 371) = ( 0.4961915 -0.0728094 0.2758603), wk = 0.0021739 k( 372) = ( 0.4965089 -0.0604402 0.2707650), wk = 0.0021739 k( 373) = ( 0.4968263 -0.0480711 0.2656696), wk = 0.0021739 k( 374) = ( 0.4971437 -0.0357019 0.2605743), wk = 0.0021739 k( 375) = ( 0.4974610 -0.0233327 0.2554790), wk = 0.0021739 k( 376) = ( 0.4977784 -0.0109635 0.2503836), wk = 0.0021739 k( 377) = ( 0.4980958 0.0014056 0.2452883), wk = 0.0021739 k( 378) = ( 0.4984132 0.0137748 0.2401930), wk = 0.0021739 k( 379) = ( 0.4987305 0.0261440 0.2350977), wk = 0.0021739 k( 380) = ( 0.4990479 0.0385131 0.2300023), wk = 0.0021739 k( 381) = ( 0.4993653 0.0508823 0.2249070), wk = 0.0021739 k( 382) = ( 0.4996826 0.0632515 0.2198117), wk = 0.0021739 k( 383) = ( 0.5000000 0.0756207 0.2147163), wk = 0.0021739 k( 384) = ( 0.5000000 0.0756207 0.2147163), wk = 0.0021739 k( 385) = ( 0.4944444 0.0803992 0.2259704), wk = 0.0021739 k( 386) = ( 0.4888889 0.0851777 0.2372244), wk = 0.0021739 k( 387) = ( 0.4833333 0.0899562 0.2484784), wk = 0.0021739 k( 388) = ( 0.4777778 0.0947347 0.2597325), wk = 0.0021739 k( 389) = ( 0.4722222 0.0995132 0.2709865), wk = 0.0021739 k( 390) = ( 0.4666667 0.1042917 0.2822405), wk = 0.0021739 k( 391) = ( 0.4611111 0.1090702 0.2934946), wk = 0.0021739 k( 392) = ( 0.4555556 0.1138487 0.3047486), wk = 0.0021739 k( 393) = ( 0.4500000 0.1186272 0.3160026), wk = 0.0021739 k( 394) = ( 0.4444444 0.1234057 0.3272566), wk = 0.0021739 k( 395) = ( 0.4388889 0.1281842 0.3385107), wk = 0.0021739 k( 396) = ( 0.4333333 0.1329627 0.3497647), wk = 0.0021739 k( 397) = ( 0.4277778 0.1377412 0.3610187), wk = 0.0021739 k( 398) = ( 0.4222222 0.1425197 0.3722728), wk = 0.0021739 k( 399) = ( 0.4166667 0.1472982 0.3835268), wk = 0.0021739 k( 400) = ( 0.4111111 0.1520768 0.3947808), wk = 0.0021739 k( 401) = ( 0.4055556 0.1568553 0.4060348), wk = 0.0021739 k( 402) = ( 0.4000000 0.1616338 0.4172889), wk = 0.0021739 k( 403) = ( 0.3944444 0.1664123 0.4285429), wk = 0.0021739 k( 404) = ( 0.3888889 0.1711908 0.4397969), wk = 0.0021739 k( 405) = ( 0.3833333 0.1759693 0.4510510), wk = 0.0021739 k( 406) = ( 0.3777778 0.1807478 0.4623050), wk = 0.0021739 k( 407) = ( 0.3722222 0.1855263 0.4735590), wk = 0.0021739 k( 408) = ( 0.3666667 0.1903048 0.4848130), wk = 0.0021739 k( 409) = ( 0.3611111 0.1950833 0.4960671), wk = 0.0021739 k( 410) = ( 0.3555556 0.1998618 0.5073211), wk = 0.0021739 k( 411) = ( 0.3500000 0.2046403 0.5185751), wk = 0.0021739 k( 412) = ( 0.3444444 0.2094188 0.5298292), wk = 0.0021739 k( 413) = ( 0.3388889 0.2141973 0.5410832), wk = 0.0021739 k( 414) = ( 0.3333333 0.2189758 0.5523372), wk = 0.0021739 k( 415) = ( 0.3277778 0.2237543 0.5635912), wk = 0.0021739 k( 416) = ( 0.3222222 0.2285328 0.5748453), wk = 0.0021739 k( 417) = ( 0.3166667 0.2333113 0.5860993), wk = 0.0021739 k( 418) = ( 0.3111111 0.2380898 0.5973533), wk = 0.0021739 k( 419) = ( 0.3055556 0.2428684 0.6086074), wk = 0.0021739 k( 420) = ( 0.3000000 0.2476469 0.6198614), wk = 0.0021739 k( 421) = ( 0.2944444 0.2524254 0.6311154), wk = 0.0021739 k( 422) = ( 0.2888889 0.2572039 0.6423695), wk = 0.0021739 k( 423) = ( 0.2833333 0.2619824 0.6536235), wk = 0.0021739 k( 424) = ( 0.2777778 0.2667609 0.6648775), wk = 0.0021739 k( 425) = ( 0.2722222 0.2715394 0.6761315), wk = 0.0021739 k( 426) = ( 0.2666667 0.2763179 0.6873856), wk = 0.0021739 k( 427) = ( 0.2611111 0.2810964 0.6986396), wk = 0.0021739 k( 428) = ( 0.2555556 0.2858749 0.7098936), wk = 0.0021739 k( 429) = ( 0.2500000 0.2906534 0.7211477), wk = 0.0021739 k( 430) = ( 0.3379176 -0.2906534 0.7211477), wk = 0.0021739 k( 431) = ( 0.3434505 -0.2954124 0.7099396), wk = 0.0021739 k( 432) = ( 0.3489834 -0.3001714 0.6987315), wk = 0.0021739 k( 433) = ( 0.3545162 -0.3049304 0.6875234), wk = 0.0021739 k( 434) = ( 0.3600491 -0.3096894 0.6763153), wk = 0.0021739 k( 435) = ( 0.3655820 -0.3144484 0.6651073), wk = 0.0021739 k( 436) = ( 0.3711148 -0.3192074 0.6538992), wk = 0.0021739 k( 437) = ( 0.3766477 -0.3239664 0.6426911), wk = 0.0021739 k( 438) = ( 0.3821806 -0.3287254 0.6314830), wk = 0.0021739 k( 439) = ( 0.3877135 -0.3334844 0.6202750), wk = 0.0021739 k( 440) = ( 0.3932463 -0.3382434 0.6090669), wk = 0.0021739 k( 441) = ( 0.3987792 -0.3430024 0.5978588), wk = 0.0021739 k( 442) = ( 0.4043121 -0.3477613 0.5866507), wk = 0.0021739 k( 443) = ( 0.4098449 -0.3525203 0.5754426), wk = 0.0021739 k( 444) = ( 0.4153778 -0.3572793 0.5642346), wk = 0.0021739 k( 445) = ( 0.4209107 -0.3620383 0.5530265), wk = 0.0021739 k( 446) = ( 0.4264436 -0.3667973 0.5418184), wk = 0.0021739 k( 447) = ( 0.4319764 -0.3715563 0.5306103), wk = 0.0021739 k( 448) = ( 0.4375093 -0.3763153 0.5194022), wk = 0.0021739 k( 449) = ( 0.4430422 -0.3810743 0.5081942), wk = 0.0021739 k( 450) = ( 0.4485751 -0.3858333 0.4969861), wk = 0.0021739 k( 451) = ( 0.4541079 -0.3905923 0.4857780), wk = 0.0021739 k( 452) = ( 0.4596408 -0.3953513 0.4745699), wk = 0.0021739 k( 453) = ( 0.4651737 -0.4001103 0.4633618), wk = 0.0021739 k( 454) = ( 0.4707066 -0.4048693 0.4521538), wk = 0.0021739 k( 455) = ( 0.4762394 -0.4096283 0.4409457), wk = 0.0021739 k( 456) = ( 0.4817723 -0.4143873 0.4297376), wk = 0.0021739 k( 457) = ( 0.4873052 -0.4191463 0.4185295), wk = 0.0021739 k( 458) = ( 0.5126948 0.5703876 0.0109032), wk = 0.0021739 k( 459) = ( 0.5063474 0.5758472 0.0054516), wk = 0.0021739 k( 460) = ( 0.5000000 0.5813068 -0.0000000), wk = 0.0021739 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( -0.0055653 0.0055653 0.0055653), wk = 0.0021739 k( 3) = ( -0.0111305 0.0111305 0.0111306), wk = 0.0021739 k( 4) = ( -0.0166958 0.0166958 0.0166958), wk = 0.0021739 k( 5) = ( -0.0222611 0.0222611 0.0222611), wk = 0.0021739 k( 6) = ( -0.0278264 0.0278264 0.0278264), wk = 0.0021739 k( 7) = ( -0.0333917 0.0333917 0.0333917), wk = 0.0021739 k( 8) = ( -0.0389569 0.0389569 0.0389569), wk = 0.0021739 k( 9) = ( -0.0445222 0.0445222 0.0445222), wk = 0.0021739 k( 10) = ( -0.0500875 0.0500875 0.0500875), wk = 0.0021739 k( 11) = ( -0.0556528 0.0556528 0.0556528), wk = 0.0021739 k( 12) = ( -0.0612181 0.0612181 0.0612180), wk = 0.0021739 k( 13) = ( -0.0667833 0.0667833 0.0667833), wk = 0.0021739 k( 14) = ( -0.0723486 0.0723486 0.0723486), wk = 0.0021739 k( 15) = ( -0.0779139 0.0779139 0.0779139), wk = 0.0021739 k( 16) = ( -0.0834792 0.0834792 0.0834792), wk = 0.0021739 k( 17) = ( -0.0890444 0.0890444 0.0890444), wk = 0.0021739 k( 18) = ( -0.0946097 0.0946097 0.0946097), wk = 0.0021739 k( 19) = ( -0.1001750 0.1001750 0.1001750), wk = 0.0021739 k( 20) = ( -0.1057403 0.1057403 0.1057403), wk = 0.0021739 k( 21) = ( -0.1113055 0.1113055 0.1113055), wk = 0.0021739 k( 22) = ( -0.1168708 0.1168708 0.1168708), wk = 0.0021739 k( 23) = ( -0.1224361 0.1224361 0.1224361), wk = 0.0021739 k( 24) = ( -0.1280014 0.1280014 0.1280014), wk = 0.0021739 k( 25) = ( -0.1335667 0.1335667 0.1335667), wk = 0.0021739 k( 26) = ( -0.1391319 0.1391319 0.1391319), wk = 0.0021739 k( 27) = ( -0.1446972 0.1446972 0.1446972), wk = 0.0021739 k( 28) = ( -0.1502625 0.1502625 0.1502625), wk = 0.0021739 k( 29) = ( -0.1558278 0.1558278 0.1558278), wk = 0.0021739 k( 30) = ( -0.1613930 0.1613930 0.1613930), wk = 0.0021739 k( 31) = ( -0.1669583 0.1669583 0.1669583), wk = 0.0021739 k( 32) = ( -0.1725236 0.1725236 0.1725236), wk = 0.0021739 k( 33) = ( -0.1780889 0.1780889 0.1780889), wk = 0.0021739 k( 34) = ( -0.1836541 0.1836541 0.1836541), wk = 0.0021739 k( 35) = ( -0.1892194 0.1892194 0.1892194), wk = 0.0021739 k( 36) = ( -0.1947847 0.1947847 0.1947847), wk = 0.0021739 k( 37) = ( -0.2003500 0.2003500 0.2003500), wk = 0.0021739 k( 38) = ( -0.2059152 0.2059153 0.2059153), wk = 0.0021739 k( 39) = ( -0.2114805 0.2114805 0.2114805), wk = 0.0021739 k( 40) = ( -0.2170458 0.2170458 0.2170458), wk = 0.0021739 k( 41) = ( -0.2226111 0.2226111 0.2226111), wk = 0.0021739 k( 42) = ( -0.2281764 0.2281764 0.2281764), wk = 0.0021739 k( 43) = ( -0.2337416 0.2337416 0.2337416), wk = 0.0021739 k( 44) = ( -0.2393069 0.2393069 0.2393069), wk = 0.0021739 k( 45) = ( -0.2448722 0.2448722 0.2448722), wk = 0.0021739 k( 46) = ( -0.2504375 0.2504375 0.2504375), wk = 0.0021739 k( 47) = ( -0.2560027 0.2560027 0.2560027), wk = 0.0021739 k( 48) = ( -0.2615680 0.2615680 0.2615680), wk = 0.0021739 k( 49) = ( -0.2671333 0.2671333 0.2671333), wk = 0.0021739 k( 50) = ( -0.2726986 0.2726986 0.2726986), wk = 0.0021739 k( 51) = ( -0.2782638 0.2782638 0.2782638), wk = 0.0021739 k( 52) = ( -0.2838291 0.2838291 0.2838291), wk = 0.0021739 k( 53) = ( -0.2893944 0.2893944 0.2893944), wk = 0.0021739 k( 54) = ( -0.2949597 0.2949597 0.2949597), wk = 0.0021739 k( 55) = ( -0.3005250 0.3005250 0.3005250), wk = 0.0021739 k( 56) = ( -0.3060902 0.3060902 0.3060902), wk = 0.0021739 k( 57) = ( -0.3116555 0.3116555 0.3116555), wk = 0.0021739 k( 58) = ( -0.3172208 0.3172208 0.3172208), wk = 0.0021739 k( 59) = ( -0.3227861 0.3227861 0.3227861), wk = 0.0021739 k( 60) = ( -0.3283513 0.3283513 0.3283513), wk = 0.0021739 k( 61) = ( -0.3339166 0.3339166 0.3339166), wk = 0.0021739 k( 62) = ( -0.3394819 0.3394819 0.3394819), wk = 0.0021739 k( 63) = ( -0.3450472 0.3450472 0.3450472), wk = 0.0021739 k( 64) = ( -0.3506125 0.3506125 0.3506125), wk = 0.0021739 k( 65) = ( -0.3506125 0.3506125 0.3506125), wk = 0.0021739 k( 66) = ( -0.3442650 0.3442650 0.3569599), wk = 0.0021739 k( 67) = ( -0.3379176 0.3379176 0.3633073), wk = 0.0021739 k( 68) = ( -0.3379176 0.3379176 0.3633073), wk = 0.0021739 k( 69) = ( -0.3279789 0.3279789 0.3673277), wk = 0.0021739 k( 70) = ( -0.3180401 0.3180401 0.3713480), wk = 0.0021739 k( 71) = ( -0.3081014 0.3081014 0.3753684), wk = 0.0021739 k( 72) = ( -0.2981626 0.2981626 0.3793888), wk = 0.0021739 k( 73) = ( -0.2882239 0.2882239 0.3834092), wk = 0.0021739 k( 74) = ( -0.2782851 0.2782851 0.3874295), wk = 0.0021739 k( 75) = ( -0.2683463 0.2683463 0.3914499), wk = 0.0021739 k( 76) = ( -0.2584076 0.2584076 0.3954703), wk = 0.0021739 k( 77) = ( -0.2484688 0.2484688 0.3994907), wk = 0.0021739 k( 78) = ( -0.2385301 0.2385301 0.4035110), wk = 0.0021739 k( 79) = ( -0.2285913 0.2285913 0.4075314), wk = 0.0021739 k( 80) = ( -0.2186526 0.2186526 0.4115518), wk = 0.0021739 k( 81) = ( -0.2087138 0.2087138 0.4155721), wk = 0.0021739 k( 82) = ( -0.1987751 0.1987751 0.4195925), wk = 0.0021739 k( 83) = ( -0.1888363 0.1888363 0.4236129), wk = 0.0021739 k( 84) = ( -0.1788976 0.1788976 0.4276333), wk = 0.0021739 k( 85) = ( -0.1689588 0.1689588 0.4316536), wk = 0.0021739 k( 86) = ( -0.1590200 0.1590200 0.4356740), wk = 0.0021739 k( 87) = ( -0.1490813 0.1490813 0.4396944), wk = 0.0021739 k( 88) = ( -0.1391426 0.1391426 0.4437148), wk = 0.0021739 k( 89) = ( -0.1292038 0.1292038 0.4477351), wk = 0.0021739 k( 90) = ( -0.1192650 0.1192650 0.4517555), wk = 0.0021739 k( 91) = ( -0.1093263 0.1093263 0.4557759), wk = 0.0021739 k( 92) = ( -0.0993875 0.0993875 0.4597963), wk = 0.0021739 k( 93) = ( -0.0894488 0.0894488 0.4638166), wk = 0.0021739 k( 94) = ( -0.0795100 0.0795100 0.4678370), wk = 0.0021739 k( 95) = ( -0.0695713 0.0695713 0.4718574), wk = 0.0021739 k( 96) = ( -0.0596325 0.0596325 0.4758778), wk = 0.0021739 k( 97) = ( -0.0496938 0.0496938 0.4798981), wk = 0.0021739 k( 98) = ( -0.0397550 0.0397550 0.4839185), wk = 0.0021739 k( 99) = ( -0.0298163 0.0298163 0.4879389), wk = 0.0021739 k( 100) = ( -0.0198775 0.0198775 0.4919593), wk = 0.0021739 k( 101) = ( -0.0099387 0.0099387 0.4959796), wk = 0.0021739 k( 102) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 103) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 104) = ( 0.0086207 0.0086207 0.4913793), wk = 0.0021739 k( 105) = ( 0.0172414 0.0172414 0.4827586), wk = 0.0021739 k( 106) = ( 0.0258621 0.0258621 0.4741379), wk = 0.0021739 k( 107) = ( 0.0344828 0.0344828 0.4655172), wk = 0.0021739 k( 108) = ( 0.0431035 0.0431035 0.4568966), wk = 0.0021739 k( 109) = ( 0.0517241 0.0517241 0.4482759), wk = 0.0021739 k( 110) = ( 0.0603448 0.0603448 0.4396552), wk = 0.0021739 k( 111) = ( 0.0689655 0.0689655 0.4310345), wk = 0.0021739 k( 112) = ( 0.0775862 0.0775862 0.4224138), wk = 0.0021739 k( 113) = ( 0.0862069 0.0862069 0.4137931), wk = 0.0021739 k( 114) = ( 0.0948276 0.0948276 0.4051724), wk = 0.0021739 k( 115) = ( 0.1034483 0.1034483 0.3965517), wk = 0.0021739 k( 116) = ( 0.1120690 0.1120690 0.3879310), wk = 0.0021739 k( 117) = ( 0.1206897 0.1206897 0.3793103), wk = 0.0021739 k( 118) = ( 0.1293103 0.1293103 0.3706897), wk = 0.0021739 k( 119) = ( 0.1379310 0.1379310 0.3620690), wk = 0.0021739 k( 120) = ( 0.1465517 0.1465517 0.3534483), wk = 0.0021739 k( 121) = ( 0.1551724 0.1551724 0.3448276), wk = 0.0021739 k( 122) = ( 0.1637931 0.1637931 0.3362069), wk = 0.0021739 k( 123) = ( 0.1724138 0.1724138 0.3275862), wk = 0.0021739 k( 124) = ( 0.1810345 0.1810345 0.3189655), wk = 0.0021739 k( 125) = ( 0.1896552 0.1896552 0.3103448), wk = 0.0021739 k( 126) = ( 0.1982759 0.1982759 0.3017241), wk = 0.0021739 k( 127) = ( 0.2068966 0.2068966 0.2931035), wk = 0.0021739 k( 128) = ( 0.2155172 0.2155172 0.2844828), wk = 0.0021739 k( 129) = ( 0.2241379 0.2241379 0.2758621), wk = 0.0021739 k( 130) = ( 0.2327586 0.2327586 0.2672414), wk = 0.0021739 k( 131) = ( 0.2413793 0.2413793 0.2586207), wk = 0.0021739 k( 132) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021739 k( 133) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021739 k( 134) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0021739 k( 135) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0021739 k( 136) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0021739 k( 137) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0021739 k( 138) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0021739 k( 139) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0021739 k( 140) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0021739 k( 141) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0021739 k( 142) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0021739 k( 143) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0021739 k( 144) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0021739 k( 145) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0021739 k( 146) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0021739 k( 147) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0021739 k( 148) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0021739 k( 149) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0021739 k( 150) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0021739 k( 151) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0021739 k( 152) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0021739 k( 153) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0021739 k( 154) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0021739 k( 155) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0021739 k( 156) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0021739 k( 157) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0021739 k( 158) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0021739 k( 159) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0021739 k( 160) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0021739 k( 161) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0021739 k( 162) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0021739 k( 163) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021739 k( 164) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021739 k( 165) = ( 0.0103121 0.5043937 -0.0103121), wk = 0.0021739 k( 166) = ( 0.0206243 0.5087875 -0.0206243), wk = 0.0021739 k( 167) = ( 0.0309364 0.5131813 -0.0309364), wk = 0.0021739 k( 168) = ( 0.0412485 0.5175750 -0.0412485), wk = 0.0021739 k( 169) = ( 0.0515606 0.5219688 -0.0515606), wk = 0.0021739 k( 170) = ( 0.0618728 0.5263625 -0.0618728), wk = 0.0021739 k( 171) = ( 0.0721849 0.5307563 -0.0721849), wk = 0.0021739 k( 172) = ( 0.0824971 0.5351500 -0.0824971), wk = 0.0021739 k( 173) = ( 0.0928092 0.5395438 -0.0928092), wk = 0.0021739 k( 174) = ( 0.1031213 0.5439375 -0.1031213), wk = 0.0021739 k( 175) = ( 0.1134334 0.5483313 -0.1134334), wk = 0.0021739 k( 176) = ( 0.1237456 0.5527250 -0.1237456), wk = 0.0021739 k( 177) = ( 0.1340577 0.5571188 -0.1340577), wk = 0.0021739 k( 178) = ( 0.1443698 0.5615125 -0.1443698), wk = 0.0021739 k( 179) = ( 0.1546820 0.5659063 -0.1546820), wk = 0.0021739 k( 180) = ( 0.1649941 0.5703000 -0.1649941), wk = 0.0021739 k( 181) = ( 0.1753062 0.5746938 -0.1753062), wk = 0.0021739 k( 182) = ( 0.1856184 0.5790875 -0.1856184), wk = 0.0021739 k( 183) = ( 0.1959305 0.5834813 -0.1959305), wk = 0.0021739 k( 184) = ( 0.2062426 0.5878750 -0.2062426), wk = 0.0021739 k( 185) = ( 0.2165547 0.5922688 -0.2165548), wk = 0.0021739 k( 186) = ( 0.2268669 0.5966625 -0.2268669), wk = 0.0021739 k( 187) = ( 0.2371790 0.6010563 -0.2371790), wk = 0.0021739 k( 188) = ( 0.2474911 0.6054500 -0.2474911), wk = 0.0021739 k( 189) = ( 0.2578033 0.6098438 -0.2578033), wk = 0.0021739 k( 190) = ( 0.2681154 0.6142375 -0.2681154), wk = 0.0021739 k( 191) = ( 0.2784275 0.6186313 -0.2784275), wk = 0.0021739 k( 192) = ( 0.2887397 0.6230250 -0.2887397), wk = 0.0021739 k( 193) = ( 0.2990518 0.6274188 -0.2990518), wk = 0.0021739 k( 194) = ( 0.3093639 0.6318125 -0.3093639), wk = 0.0021739 k( 195) = ( 0.3196761 0.6362063 -0.3196761), wk = 0.0021739 k( 196) = ( 0.3299882 0.6406000 -0.3299882), wk = 0.0021739 k( 197) = ( 0.3403003 0.6449938 -0.3403003), wk = 0.0021739 k( 198) = ( 0.3506125 0.6493876 -0.3506125), wk = 0.0021739 k( 199) = ( 0.3506125 0.6493876 -0.3506125), wk = 0.0021739 k( 200) = ( 0.3561453 0.6438547 -0.3561453), wk = 0.0021739 k( 201) = ( 0.3616782 0.6383218 -0.3616782), wk = 0.0021739 k( 202) = ( 0.3672111 0.6327889 -0.3672111), wk = 0.0021739 k( 203) = ( 0.3727439 0.6272561 -0.3727439), wk = 0.0021739 k( 204) = ( 0.3782768 0.6217232 -0.3782768), wk = 0.0021739 k( 205) = ( 0.3838097 0.6161903 -0.3838097), wk = 0.0021739 k( 206) = ( 0.3893426 0.6106574 -0.3893426), wk = 0.0021739 k( 207) = ( 0.3948754 0.6051246 -0.3948754), wk = 0.0021739 k( 208) = ( 0.4004083 0.5995917 -0.4004083), wk = 0.0021739 k( 209) = ( 0.4059412 0.5940588 -0.4059412), wk = 0.0021739 k( 210) = ( 0.4114740 0.5885259 -0.4114741), wk = 0.0021739 k( 211) = ( 0.4170069 0.5829931 -0.4170069), wk = 0.0021739 k( 212) = ( 0.4225398 0.5774602 -0.4225398), wk = 0.0021739 k( 213) = ( 0.4280727 0.5719273 -0.4280727), wk = 0.0021739 k( 214) = ( 0.4336055 0.5663945 -0.4336055), wk = 0.0021739 k( 215) = ( 0.4391384 0.5608616 -0.4391384), wk = 0.0021739 k( 216) = ( 0.4446713 0.5553287 -0.4446713), wk = 0.0021739 k( 217) = ( 0.4502042 0.5497959 -0.4502042), wk = 0.0021739 k( 218) = ( 0.4557370 0.5442630 -0.4557370), wk = 0.0021739 k( 219) = ( 0.4612699 0.5387301 -0.4612699), wk = 0.0021739 k( 220) = ( 0.4668028 0.5331972 -0.4668028), wk = 0.0021739 k( 221) = ( 0.4723356 0.5276644 -0.4723356), wk = 0.0021739 k( 222) = ( 0.4778685 0.5221315 -0.4778685), wk = 0.0021739 k( 223) = ( 0.4834014 0.5165986 -0.4834014), wk = 0.0021739 k( 224) = ( 0.4889343 0.5110657 -0.4889343), wk = 0.0021739 k( 225) = ( 0.4944671 0.5055329 -0.4944671), wk = 0.0021739 k( 226) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021739 k( 227) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021739 k( 228) = ( 0.4912281 0.4912281 -0.4912281), wk = 0.0021739 k( 229) = ( 0.4824561 0.4824561 -0.4824561), wk = 0.0021739 k( 230) = ( 0.4736842 0.4736842 -0.4736842), wk = 0.0021739 k( 231) = ( 0.4649123 0.4649123 -0.4649123), wk = 0.0021739 k( 232) = ( 0.4561404 0.4561404 -0.4561404), wk = 0.0021739 k( 233) = ( 0.4473684 0.4473684 -0.4473684), wk = 0.0021739 k( 234) = ( 0.4385965 0.4385965 -0.4385965), wk = 0.0021739 k( 235) = ( 0.4298246 0.4298246 -0.4298246), wk = 0.0021739 k( 236) = ( 0.4210526 0.4210526 -0.4210526), wk = 0.0021739 k( 237) = ( 0.4122807 0.4122807 -0.4122807), wk = 0.0021739 k( 238) = ( 0.4035088 0.4035088 -0.4035088), wk = 0.0021739 k( 239) = ( 0.3947368 0.3947368 -0.3947368), wk = 0.0021739 k( 240) = ( 0.3859649 0.3859649 -0.3859649), wk = 0.0021739 k( 241) = ( 0.3771930 0.3771930 -0.3771930), wk = 0.0021739 k( 242) = ( 0.3684211 0.3684211 -0.3684211), wk = 0.0021739 k( 243) = ( 0.3596491 0.3596491 -0.3596491), wk = 0.0021739 k( 244) = ( 0.3508772 0.3508772 -0.3508772), wk = 0.0021739 k( 245) = ( 0.3421053 0.3421053 -0.3421053), wk = 0.0021739 k( 246) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0021739 k( 247) = ( 0.3245614 0.3245614 -0.3245614), wk = 0.0021739 k( 248) = ( 0.3157895 0.3157895 -0.3157895), wk = 0.0021739 k( 249) = ( 0.3070175 0.3070175 -0.3070175), wk = 0.0021739 k( 250) = ( 0.2982456 0.2982456 -0.2982456), wk = 0.0021739 k( 251) = ( 0.2894737 0.2894737 -0.2894737), wk = 0.0021739 k( 252) = ( 0.2807018 0.2807018 -0.2807018), wk = 0.0021739 k( 253) = ( 0.2719298 0.2719298 -0.2719298), wk = 0.0021739 k( 254) = ( 0.2631579 0.2631579 -0.2631579), wk = 0.0021739 k( 255) = ( 0.2543860 0.2543860 -0.2543860), wk = 0.0021739 k( 256) = ( 0.2456140 0.2456140 -0.2456140), wk = 0.0021739 k( 257) = ( 0.2368421 0.2368421 -0.2368421), wk = 0.0021739 k( 258) = ( 0.2280702 0.2280702 -0.2280702), wk = 0.0021739 k( 259) = ( 0.2192983 0.2192982 -0.2192983), wk = 0.0021739 k( 260) = ( 0.2105263 0.2105263 -0.2105263), wk = 0.0021739 k( 261) = ( 0.2017544 0.2017544 -0.2017544), wk = 0.0021739 k( 262) = ( 0.1929825 0.1929825 -0.1929825), wk = 0.0021739 k( 263) = ( 0.1842105 0.1842105 -0.1842105), wk = 0.0021739 k( 264) = ( 0.1754386 0.1754386 -0.1754386), wk = 0.0021739 k( 265) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0021739 k( 266) = ( 0.1578947 0.1578947 -0.1578947), wk = 0.0021739 k( 267) = ( 0.1491228 0.1491228 -0.1491228), wk = 0.0021739 k( 268) = ( 0.1403509 0.1403509 -0.1403509), wk = 0.0021739 k( 269) = ( 0.1315790 0.1315789 -0.1315790), wk = 0.0021739 k( 270) = ( 0.1228070 0.1228070 -0.1228070), wk = 0.0021739 k( 271) = ( 0.1140351 0.1140351 -0.1140351), wk = 0.0021739 k( 272) = ( 0.1052632 0.1052632 -0.1052632), wk = 0.0021739 k( 273) = ( 0.0964912 0.0964912 -0.0964912), wk = 0.0021739 k( 274) = ( 0.0877193 0.0877193 -0.0877193), wk = 0.0021739 k( 275) = ( 0.0789474 0.0789474 -0.0789474), wk = 0.0021739 k( 276) = ( 0.0701754 0.0701754 -0.0701754), wk = 0.0021739 k( 277) = ( 0.0614035 0.0614035 -0.0614035), wk = 0.0021739 k( 278) = ( 0.0526316 0.0526316 -0.0526316), wk = 0.0021739 k( 279) = ( 0.0438597 0.0438597 -0.0438597), wk = 0.0021739 k( 280) = ( 0.0350877 0.0350877 -0.0350877), wk = 0.0021739 k( 281) = ( 0.0263158 0.0263158 -0.0263158), wk = 0.0021739 k( 282) = ( 0.0175439 0.0175439 -0.0175439), wk = 0.0021739 k( 283) = ( 0.0087719 0.0087719 -0.0087719), wk = 0.0021739 k( 284) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 285) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 286) = ( 0.0085492 -0.0085492 0.0085492), wk = 0.0021739 k( 287) = ( 0.0170984 -0.0170984 0.0170984), wk = 0.0021739 k( 288) = ( 0.0256476 -0.0256476 0.0256476), wk = 0.0021739 k( 289) = ( 0.0341969 -0.0341969 0.0341969), wk = 0.0021739 k( 290) = ( 0.0427461 -0.0427461 0.0427461), wk = 0.0021739 k( 291) = ( 0.0512953 -0.0512953 0.0512953), wk = 0.0021739 k( 292) = ( 0.0598445 -0.0598445 0.0598445), wk = 0.0021739 k( 293) = ( 0.0683937 -0.0683937 0.0683937), wk = 0.0021739 k( 294) = ( 0.0769429 -0.0769429 0.0769429), wk = 0.0021739 k( 295) = ( 0.0854921 -0.0854921 0.0854921), wk = 0.0021739 k( 296) = ( 0.0940413 -0.0940413 0.0940413), wk = 0.0021739 k( 297) = ( 0.1025906 -0.1025906 0.1025906), wk = 0.0021739 k( 298) = ( 0.1111398 -0.1111398 0.1111398), wk = 0.0021739 k( 299) = ( 0.1196890 -0.1196890 0.1196890), wk = 0.0021739 k( 300) = ( 0.1282382 -0.1282382 0.1282382), wk = 0.0021739 k( 301) = ( 0.1367874 -0.1367874 0.1367874), wk = 0.0021739 k( 302) = ( 0.1453366 -0.1453366 0.1453366), wk = 0.0021739 k( 303) = ( 0.1538858 -0.1538858 0.1538858), wk = 0.0021739 k( 304) = ( 0.1624350 -0.1624350 0.1624350), wk = 0.0021739 k( 305) = ( 0.1709843 -0.1709843 0.1709843), wk = 0.0021739 k( 306) = ( 0.1795335 -0.1795335 0.1795335), wk = 0.0021739 k( 307) = ( 0.1880827 -0.1880827 0.1880827), wk = 0.0021739 k( 308) = ( 0.1966319 -0.1966319 0.1966319), wk = 0.0021739 k( 309) = ( 0.2051811 -0.2051811 0.2051811), wk = 0.0021739 k( 310) = ( 0.2137303 -0.2137303 0.2137303), wk = 0.0021739 k( 311) = ( 0.2222795 -0.2222796 0.2222795), wk = 0.0021739 k( 312) = ( 0.2308288 -0.2308288 0.2308288), wk = 0.0021739 k( 313) = ( 0.2393780 -0.2393780 0.2393780), wk = 0.0021739 k( 314) = ( 0.2479272 -0.2479272 0.2479272), wk = 0.0021739 k( 315) = ( 0.2564764 -0.2564764 0.2564764), wk = 0.0021739 k( 316) = ( 0.2650256 -0.2650256 0.2650256), wk = 0.0021739 k( 317) = ( 0.2735748 -0.2735748 0.2735748), wk = 0.0021739 k( 318) = ( 0.2821240 -0.2821240 0.2821240), wk = 0.0021739 k( 319) = ( 0.2906733 -0.2906733 0.2906733), wk = 0.0021739 k( 320) = ( 0.2992225 -0.2992225 0.2992225), wk = 0.0021739 k( 321) = ( 0.3077717 -0.3077717 0.3077717), wk = 0.0021739 k( 322) = ( 0.3163209 -0.3163209 0.3163209), wk = 0.0021739 k( 323) = ( 0.3248701 -0.3248701 0.3248701), wk = 0.0021739 k( 324) = ( 0.3334193 -0.3334193 0.3334193), wk = 0.0021739 k( 325) = ( 0.3419685 -0.3419685 0.3419685), wk = 0.0021739 k( 326) = ( 0.3505178 -0.3505178 0.3505178), wk = 0.0021739 k( 327) = ( 0.3590670 -0.3590670 0.3590670), wk = 0.0021739 k( 328) = ( 0.3676162 -0.3676162 0.3676162), wk = 0.0021739 k( 329) = ( 0.3761654 -0.3761654 0.3761654), wk = 0.0021739 k( 330) = ( 0.3847146 -0.3847146 0.3847146), wk = 0.0021739 k( 331) = ( 0.3932638 -0.3932638 0.3932638), wk = 0.0021739 k( 332) = ( 0.4018130 -0.4018130 0.4018130), wk = 0.0021739 k( 333) = ( 0.4103622 -0.4103622 0.4103622), wk = 0.0021739 k( 334) = ( 0.4189115 -0.4189115 0.4189115), wk = 0.0021739 k( 335) = ( 0.4274607 -0.4274607 0.4274607), wk = 0.0021739 k( 336) = ( 0.4360099 -0.4360099 0.4360099), wk = 0.0021739 k( 337) = ( 0.4445591 -0.4445591 0.4445591), wk = 0.0021739 k( 338) = ( 0.4531083 -0.4531083 0.4531083), wk = 0.0021739 k( 339) = ( 0.4616575 -0.4616575 0.4616575), wk = 0.0021739 k( 340) = ( 0.4702067 -0.4702067 0.4702067), wk = 0.0021739 k( 341) = ( 0.4787559 -0.4787559 0.4787559), wk = 0.0021739 k( 342) = ( 0.4873052 -0.4873052 0.4873052), wk = 0.0021739 k( 343) = ( 0.4873052 -0.4873052 0.4873052), wk = 0.0021739 k( 344) = ( 0.4876225 -0.4751225 0.4751225), wk = 0.0021739 k( 345) = ( 0.4879399 -0.4629399 0.4629399), wk = 0.0021739 k( 346) = ( 0.4882573 -0.4507573 0.4507573), wk = 0.0021739 k( 347) = ( 0.4885746 -0.4385747 0.4385747), wk = 0.0021739 k( 348) = ( 0.4888920 -0.4263920 0.4263920), wk = 0.0021739 k( 349) = ( 0.4892094 -0.4142094 0.4142094), wk = 0.0021739 k( 350) = ( 0.4895268 -0.4020268 0.4020268), wk = 0.0021739 k( 351) = ( 0.4898441 -0.3898441 0.3898441), wk = 0.0021739 k( 352) = ( 0.4901615 -0.3776615 0.3776615), wk = 0.0021739 k( 353) = ( 0.4904789 -0.3654789 0.3654789), wk = 0.0021739 k( 354) = ( 0.4907962 -0.3532962 0.3532962), wk = 0.0021739 k( 355) = ( 0.4911136 -0.3411136 0.3411136), wk = 0.0021739 k( 356) = ( 0.4914310 -0.3289310 0.3289310), wk = 0.0021739 k( 357) = ( 0.4917484 -0.3167484 0.3167484), wk = 0.0021739 k( 358) = ( 0.4920657 -0.3045657 0.3045657), wk = 0.0021739 k( 359) = ( 0.4923831 -0.2923831 0.2923831), wk = 0.0021739 k( 360) = ( 0.4927005 -0.2802005 0.2802005), wk = 0.0021739 k( 361) = ( 0.4930178 -0.2680178 0.2680178), wk = 0.0021739 k( 362) = ( 0.4933352 -0.2558352 0.2558352), wk = 0.0021739 k( 363) = ( 0.4936526 -0.2436526 0.2436526), wk = 0.0021739 k( 364) = ( 0.4939699 -0.2314700 0.2314699), wk = 0.0021739 k( 365) = ( 0.4942873 -0.2192873 0.2192873), wk = 0.0021739 k( 366) = ( 0.4946047 -0.2071047 0.2071047), wk = 0.0021739 k( 367) = ( 0.4949221 -0.1949221 0.1949221), wk = 0.0021739 k( 368) = ( 0.4952394 -0.1827394 0.1827394), wk = 0.0021739 k( 369) = ( 0.4955568 -0.1705568 0.1705568), wk = 0.0021739 k( 370) = ( 0.4958742 -0.1583742 0.1583742), wk = 0.0021739 k( 371) = ( 0.4961915 -0.1461916 0.1461915), wk = 0.0021739 k( 372) = ( 0.4965089 -0.1340089 0.1340089), wk = 0.0021739 k( 373) = ( 0.4968263 -0.1218263 0.1218263), wk = 0.0021739 k( 374) = ( 0.4971437 -0.1096437 0.1096437), wk = 0.0021739 k( 375) = ( 0.4974610 -0.0974610 0.0974610), wk = 0.0021739 k( 376) = ( 0.4977784 -0.0852784 0.0852784), wk = 0.0021739 k( 377) = ( 0.4980958 -0.0730958 0.0730958), wk = 0.0021739 k( 378) = ( 0.4984132 -0.0609131 0.0609131), wk = 0.0021739 k( 379) = ( 0.4987305 -0.0487305 0.0487305), wk = 0.0021739 k( 380) = ( 0.4990479 -0.0365479 0.0365479), wk = 0.0021739 k( 381) = ( 0.4993653 -0.0243653 0.0243653), wk = 0.0021739 k( 382) = ( 0.4996826 -0.0121826 0.0121826), wk = 0.0021739 k( 383) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021739 k( 384) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021739 k( 385) = ( 0.4944444 0.0055556 0.0055556), wk = 0.0021739 k( 386) = ( 0.4888889 0.0111111 0.0111111), wk = 0.0021739 k( 387) = ( 0.4833333 0.0166667 0.0166667), wk = 0.0021739 k( 388) = ( 0.4777778 0.0222222 0.0222222), wk = 0.0021739 k( 389) = ( 0.4722222 0.0277778 0.0277778), wk = 0.0021739 k( 390) = ( 0.4666667 0.0333333 0.0333333), wk = 0.0021739 k( 391) = ( 0.4611111 0.0388889 0.0388889), wk = 0.0021739 k( 392) = ( 0.4555556 0.0444444 0.0444444), wk = 0.0021739 k( 393) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0021739 k( 394) = ( 0.4444444 0.0555556 0.0555556), wk = 0.0021739 k( 395) = ( 0.4388889 0.0611111 0.0611111), wk = 0.0021739 k( 396) = ( 0.4333333 0.0666667 0.0666667), wk = 0.0021739 k( 397) = ( 0.4277778 0.0722222 0.0722222), wk = 0.0021739 k( 398) = ( 0.4222222 0.0777778 0.0777778), wk = 0.0021739 k( 399) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0021739 k( 400) = ( 0.4111111 0.0888889 0.0888889), wk = 0.0021739 k( 401) = ( 0.4055556 0.0944444 0.0944444), wk = 0.0021739 k( 402) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0021739 k( 403) = ( 0.3944444 0.1055556 0.1055556), wk = 0.0021739 k( 404) = ( 0.3888889 0.1111111 0.1111111), wk = 0.0021739 k( 405) = ( 0.3833333 0.1166667 0.1166667), wk = 0.0021739 k( 406) = ( 0.3777778 0.1222222 0.1222222), wk = 0.0021739 k( 407) = ( 0.3722222 0.1277778 0.1277778), wk = 0.0021739 k( 408) = ( 0.3666667 0.1333333 0.1333333), wk = 0.0021739 k( 409) = ( 0.3611111 0.1388889 0.1388889), wk = 0.0021739 k( 410) = ( 0.3555556 0.1444444 0.1444444), wk = 0.0021739 k( 411) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0021739 k( 412) = ( 0.3444444 0.1555556 0.1555556), wk = 0.0021739 k( 413) = ( 0.3388889 0.1611111 0.1611111), wk = 0.0021739 k( 414) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0021739 k( 415) = ( 0.3277778 0.1722222 0.1722222), wk = 0.0021739 k( 416) = ( 0.3222222 0.1777778 0.1777778), wk = 0.0021739 k( 417) = ( 0.3166667 0.1833333 0.1833333), wk = 0.0021739 k( 418) = ( 0.3111111 0.1888889 0.1888889), wk = 0.0021739 k( 419) = ( 0.3055556 0.1944444 0.1944444), wk = 0.0021739 k( 420) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0021739 k( 421) = ( 0.2944444 0.2055556 0.2055556), wk = 0.0021739 k( 422) = ( 0.2888889 0.2111111 0.2111111), wk = 0.0021739 k( 423) = ( 0.2833333 0.2166667 0.2166667), wk = 0.0021739 k( 424) = ( 0.2777778 0.2222222 0.2222222), wk = 0.0021739 k( 425) = ( 0.2722222 0.2277778 0.2277778), wk = 0.0021739 k( 426) = ( 0.2666667 0.2333333 0.2333333), wk = 0.0021739 k( 427) = ( 0.2611111 0.2388889 0.2388889), wk = 0.0021739 k( 428) = ( 0.2555556 0.2444444 0.2444444), wk = 0.0021739 k( 429) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021739 k( 430) = ( 0.3379176 -0.3379176 0.6366927), wk = 0.0021739 k( 431) = ( 0.3434505 -0.3434505 0.6311598), wk = 0.0021739 k( 432) = ( 0.3489834 -0.3489834 0.6256270), wk = 0.0021739 k( 433) = ( 0.3545162 -0.3545162 0.6200941), wk = 0.0021739 k( 434) = ( 0.3600491 -0.3600491 0.6145612), wk = 0.0021739 k( 435) = ( 0.3655820 -0.3655820 0.6090283), wk = 0.0021739 k( 436) = ( 0.3711148 -0.3711148 0.6034955), wk = 0.0021739 k( 437) = ( 0.3766477 -0.3766477 0.5979626), wk = 0.0021739 k( 438) = ( 0.3821806 -0.3821806 0.5924297), wk = 0.0021739 k( 439) = ( 0.3877135 -0.3877135 0.5868969), wk = 0.0021739 k( 440) = ( 0.3932463 -0.3932463 0.5813640), wk = 0.0021739 k( 441) = ( 0.3987792 -0.3987792 0.5758311), wk = 0.0021739 k( 442) = ( 0.4043121 -0.4043121 0.5702983), wk = 0.0021739 k( 443) = ( 0.4098449 -0.4098449 0.5647654), wk = 0.0021739 k( 444) = ( 0.4153778 -0.4153778 0.5592325), wk = 0.0021739 k( 445) = ( 0.4209107 -0.4209107 0.5536996), wk = 0.0021739 k( 446) = ( 0.4264436 -0.4264436 0.5481668), wk = 0.0021739 k( 447) = ( 0.4319764 -0.4319764 0.5426339), wk = 0.0021739 k( 448) = ( 0.4375093 -0.4375093 0.5371010), wk = 0.0021739 k( 449) = ( 0.4430422 -0.4430422 0.5315681), wk = 0.0021739 k( 450) = ( 0.4485751 -0.4485751 0.5260353), wk = 0.0021739 k( 451) = ( 0.4541079 -0.4541079 0.5205024), wk = 0.0021739 k( 452) = ( 0.4596408 -0.4596408 0.5149695), wk = 0.0021739 k( 453) = ( 0.4651737 -0.4651737 0.5094367), wk = 0.0021739 k( 454) = ( 0.4707066 -0.4707066 0.5039038), wk = 0.0021739 k( 455) = ( 0.4762394 -0.4762394 0.4983709), wk = 0.0021739 k( 456) = ( 0.4817723 -0.4817723 0.4928380), wk = 0.0021739 k( 457) = ( 0.4873052 -0.4873052 0.4873052), wk = 0.0021739 k( 458) = ( 0.5126948 0.4873052 -0.4873052), wk = 0.0021739 k( 459) = ( 0.5063474 0.4936526 -0.4936526), wk = 0.0021739 k( 460) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021739 Dense grid: 34515 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 25961 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 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 722) G-vector shells 0.01 Mb ( 686) 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 43.3 secs Computing kpt #: 2 total cpu time spent up to now is 44.5 secs Computing kpt #: 3 total cpu time spent up to now is 45.8 secs Computing kpt #: 4 total cpu time spent up to now is 46.7 secs Computing kpt #: 5 total cpu time spent up to now is 47.7 secs Computing kpt #: 6 total cpu time spent up to now is 48.7 secs Computing kpt #: 7 total cpu time spent up to now is 49.7 secs Computing kpt #: 8 total cpu time spent up to now is 51.1 secs Computing kpt #: 9 total cpu time spent up to now is 52.2 secs Computing kpt #: 10 total cpu time spent up to now is 53.2 secs Computing kpt #: 11 total cpu time spent up to now is 54.1 secs Computing kpt #: 12 total cpu time spent up to now is 55.3 secs Computing kpt #: 13 total cpu time spent up to now is 56.4 secs Computing kpt #: 14 total cpu time spent up to now is 57.7 secs Computing kpt #: 15 total cpu time spent up to now is 59.0 secs Computing kpt #: 16 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 60.9 secs Computing kpt #: 17 total cpu time spent up to now is 62.8 secs Computing kpt #: 18 total cpu time spent up to now is 65.0 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 67.0 secs Computing kpt #: 20 total cpu time spent up to now is 68.3 secs Computing kpt #: 21 total cpu time spent up to now is 69.7 secs Computing kpt #: 22 total cpu time spent up to now is 71.0 secs Computing kpt #: 23 total cpu time spent up to now is 72.2 secs Computing kpt #: 24 total cpu time spent up to now is 73.3 secs Computing kpt #: 25 total cpu time spent up to now is 74.4 secs Computing kpt #: 26 total cpu time spent up to now is 75.9 secs Computing kpt #: 27 total cpu time spent up to now is 76.9 secs Computing kpt #: 28 total cpu time spent up to now is 77.9 secs Computing kpt #: 29 total cpu time spent up to now is 79.0 secs Computing kpt #: 30 total cpu time spent up to now is 80.0 secs Computing kpt #: 31 total cpu time spent up to now is 80.9 secs Computing kpt #: 32 total cpu time spent up to now is 81.8 secs Computing kpt #: 33 total cpu time spent up to now is 83.1 secs Computing kpt #: 34 total cpu time spent up to now is 84.0 secs Computing kpt #: 35 total cpu time spent up to now is 84.7 secs Computing kpt #: 36 total cpu time spent up to now is 85.6 secs Computing kpt #: 37 total cpu time spent up to now is 86.3 secs Computing kpt #: 38 total cpu time spent up to now is 87.0 secs Computing kpt #: 39 total cpu time spent up to now is 87.7 secs Computing kpt #: 40 total cpu time spent up to now is 88.4 secs Computing kpt #: 41 total cpu time spent up to now is 89.6 secs Computing kpt #: 42 total cpu time spent up to now is 90.3 secs Computing kpt #: 43 total cpu time spent up to now is 91.0 secs Computing kpt #: 44 total cpu time spent up to now is 91.9 secs Computing kpt #: 45 total cpu time spent up to now is 92.6 secs Computing kpt #: 46 total cpu time spent up to now is 93.4 secs Computing kpt #: 47 total cpu time spent up to now is 94.1 secs Computing kpt #: 48 total cpu time spent up to now is 95.3 secs Computing kpt #: 49 total cpu time spent up to now is 96.1 secs Computing kpt #: 50 total cpu time spent up to now is 96.9 secs Computing kpt #: 51 total cpu time spent up to now is 97.9 secs Computing kpt #: 52 total cpu time spent up to now is 98.7 secs Computing kpt #: 53 total cpu time spent up to now is 99.7 secs Computing kpt #: 54 total cpu time spent up to now is 100.8 secs Computing kpt #: 55 total cpu time spent up to now is 102.3 secs Computing kpt #: 56 total cpu time spent up to now is 103.6 secs Computing kpt #: 57 total cpu time spent up to now is 104.7 secs Computing kpt #: 58 total cpu time spent up to now is 105.6 secs Computing kpt #: 59 total cpu time spent up to now is 106.4 secs Computing kpt #: 60 total cpu time spent up to now is 107.2 secs Computing kpt #: 61 total cpu time spent up to now is 108.6 secs Computing kpt #: 62 total cpu time spent up to now is 109.6 secs Computing kpt #: 63 total cpu time spent up to now is 110.6 secs Computing kpt #: 64 total cpu time spent up to now is 111.4 secs Computing kpt #: 65 total cpu time spent up to now is 112.4 secs Computing kpt #: 66 total cpu time spent up to now is 113.3 secs Computing kpt #: 67 total cpu time spent up to now is 114.8 secs Computing kpt #: 68 total cpu time spent up to now is 115.7 secs Computing kpt #: 69 total cpu time spent up to now is 116.7 secs Computing kpt #: 70 total cpu time spent up to now is 117.5 secs Computing kpt #: 71 total cpu time spent up to now is 118.4 secs Computing kpt #: 72 total cpu time spent up to now is 119.3 secs Computing kpt #: 73 total cpu time spent up to now is 120.2 secs Computing kpt #: 74 total cpu time spent up to now is 121.6 secs Computing kpt #: 75 total cpu time spent up to now is 122.5 secs Computing kpt #: 76 total cpu time spent up to now is 123.3 secs Computing kpt #: 77 total cpu time spent up to now is 124.2 secs Computing kpt #: 78 total cpu time spent up to now is 125.1 secs Computing kpt #: 79 total cpu time spent up to now is 126.0 secs Computing kpt #: 80 total cpu time spent up to now is 127.3 secs Computing kpt #: 81 total cpu time spent up to now is 128.2 secs Computing kpt #: 82 total cpu time spent up to now is 129.1 secs Computing kpt #: 83 total cpu time spent up to now is 129.9 secs Computing kpt #: 84 total cpu time spent up to now is 130.8 secs Computing kpt #: 85 total cpu time spent up to now is 131.7 secs Computing kpt #: 86 total cpu time spent up to now is 133.0 secs Computing kpt #: 87 total cpu time spent up to now is 133.9 secs Computing kpt #: 88 total cpu time spent up to now is 134.8 secs Computing kpt #: 89 total cpu time spent up to now is 135.7 secs Computing kpt #: 90 total cpu time spent up to now is 136.4 secs Computing kpt #: 91 total cpu time spent up to now is 137.3 secs Computing kpt #: 92 total cpu time spent up to now is 138.1 secs Computing kpt #: 93 total cpu time spent up to now is 139.3 secs Computing kpt #: 94 total cpu time spent up to now is 140.1 secs Computing kpt #: 95 total cpu time spent up to now is 141.0 secs Computing kpt #: 96 total cpu time spent up to now is 141.8 secs Computing kpt #: 97 total cpu time spent up to now is 142.4 secs Computing kpt #: 98 total cpu time spent up to now is 143.3 secs Computing kpt #: 99 total cpu time spent up to now is 144.5 secs Computing kpt #: 100 total cpu time spent up to now is 145.4 secs Computing kpt #: 101 total cpu 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up to now is 159.0 secs Computing kpt #: 117 total cpu time spent up to now is 159.6 secs Computing kpt #: 118 total cpu time spent up to now is 160.3 secs Computing kpt #: 119 total cpu time spent up to now is 160.9 secs Computing kpt #: 120 total cpu time spent up to now is 161.6 secs Computing kpt #: 121 total cpu time spent up to now is 162.8 secs Computing kpt #: 122 total cpu time spent up to now is 163.5 secs Computing kpt #: 123 total cpu time spent up to now is 164.2 secs Computing kpt #: 124 total cpu time spent up to now is 164.9 secs Computing kpt #: 125 total cpu time spent up to now is 165.5 secs Computing kpt #: 126 total cpu time spent up to now is 166.2 secs Computing kpt #: 127 total cpu time spent up to now is 166.8 secs Computing kpt #: 128 total cpu time spent up to now is 167.5 secs Computing kpt #: 129 total cpu time spent up to now is 168.5 secs Computing kpt #: 130 total cpu time spent up to now is 169.3 secs Computing kpt #: 131 total cpu time spent up to now is 170.0 secs Computing kpt #: 132 total cpu time spent up to now is 170.6 secs Computing kpt #: 133 total cpu time spent up to now is 171.2 secs Computing kpt #: 134 total cpu time spent up to now is 171.9 secs Computing kpt #: 135 total cpu time spent up to now is 172.5 secs Computing kpt #: 136 total cpu time spent up to now is 173.2 secs Computing kpt #: 137 total cpu time spent up to now is 173.9 secs Computing kpt #: 138 total cpu time spent up to now is 174.6 secs Computing kpt #: 139 total cpu time spent up to now is 175.8 secs Computing kpt #: 140 total cpu time spent up to now is 176.7 secs Computing kpt #: 141 total cpu time spent up to now is 177.5 secs Computing kpt #: 142 total cpu time spent up to now is 178.4 secs Computing kpt #: 143 total cpu time spent up to now is 179.2 secs Computing kpt #: 144 total cpu time spent up to now is 180.1 secs Computing kpt #: 145 total cpu time spent up to now is 181.5 secs Computing kpt #: 146 total cpu time spent up to now is 182.4 secs Computing kpt #: 147 total cpu time spent up to now is 183.3 secs Computing kpt #: 148 total cpu time spent up to now is 184.1 secs Computing kpt #: 149 total cpu time spent up to now is 184.8 secs Computing kpt #: 150 total cpu time spent up to now is 185.6 secs Computing kpt #: 151 total cpu time spent up to now is 187.1 secs Computing kpt #: 152 total cpu time spent up to now is 187.8 secs Computing kpt #: 153 total cpu time spent up to now is 188.6 secs Computing kpt #: 154 total cpu time spent up to now is 189.4 secs Computing kpt #: 155 total cpu time spent up to now is 190.1 secs Computing kpt #: 156 total cpu time spent up to now is 190.8 secs Computing kpt #: 157 total cpu time spent up to now is 192.1 secs Computing kpt #: 158 total cpu time spent up to now is 192.8 secs Computing kpt #: 159 total cpu time spent up to now is 193.6 secs Computing kpt #: 160 total cpu time spent up to now is 194.3 secs Computing kpt #: 161 total cpu time spent up to now is 195.3 secs Computing kpt #: 162 total cpu time spent up to now is 196.0 secs Computing kpt #: 163 total cpu time spent up to now is 196.9 secs Computing kpt #: 164 total cpu time spent up to now is 197.8 secs Computing kpt #: 165 total cpu time spent up to now is 198.6 secs Computing kpt #: 166 total cpu time spent up to now is 199.5 secs Computing kpt #: 167 total cpu time spent up to now is 200.2 secs Computing kpt #: 168 total cpu time spent up to now is 200.9 secs Computing kpt #: 169 total cpu time spent up to now is 201.6 secs Computing kpt #: 170 total cpu time spent up to now is 202.2 secs Computing kpt #: 171 total cpu time spent up to now is 203.5 secs Computing kpt #: 172 total cpu time spent up to now is 204.1 secs Computing kpt #: 173 total cpu time spent up to now is 205.0 secs Computing kpt #: 174 total cpu time spent up to now is 205.8 secs Computing kpt #: 175 total cpu time spent up to now is 206.5 secs Computing kpt #: 176 total cpu time spent up to now is 207.4 secs Computing 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total cpu time spent up to now is 224.5 secs Computing kpt #: 193 total cpu time spent up to now is 225.5 secs Computing kpt #: 194 total cpu time spent up to now is 226.4 secs Computing kpt #: 195 total cpu time spent up to now is 227.3 secs Computing kpt #: 196 total cpu time spent up to now is 228.4 secs Computing kpt #: 197 total cpu time spent up to now is 229.6 secs Computing kpt #: 198 total cpu time spent up to now is 230.5 secs Computing kpt #: 199 total cpu time spent up to now is 231.5 secs Computing kpt #: 200 total cpu time spent up to now is 232.3 secs Computing kpt #: 201 total cpu time spent up to now is 233.1 secs Computing kpt #: 202 total cpu time spent up to now is 234.0 secs Computing kpt #: 203 total cpu time spent up to now is 235.2 secs Computing kpt #: 204 total cpu time spent up to now is 236.1 secs Computing kpt #: 205 total cpu time spent up to now is 237.0 secs Computing kpt #: 206 total cpu time spent up to now is 237.8 secs Computing kpt #: 207 total cpu 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secs Computing kpt #: 253 total cpu time spent up to now is 270.2 secs Computing kpt #: 254 total cpu time spent up to now is 270.9 secs Computing kpt #: 255 total cpu time spent up to now is 271.8 secs Computing kpt #: 256 total cpu time spent up to now is 272.6 secs Computing kpt #: 257 total cpu time spent up to now is 273.2 secs Computing kpt #: 258 total cpu time spent up to now is 273.8 secs Computing kpt #: 259 total cpu time spent up to now is 274.4 secs Computing kpt #: 260 total cpu time spent up to now is 275.0 secs Computing kpt #: 261 total cpu time spent up to now is 275.7 secs Computing kpt #: 262 total cpu time spent up to now is 276.3 secs Computing kpt #: 263 total cpu time spent up to now is 277.0 secs Computing kpt #: 264 total cpu time spent up to now is 277.8 secs Computing kpt #: 265 total cpu time spent up to now is 278.9 secs Computing kpt #: 266 total cpu time spent up to now is 279.8 secs Computing kpt #: 267 total cpu time spent up to now is 280.5 secs 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kpt #: 283 total cpu time spent up to now is 296.1 secs Computing kpt #: 284 total cpu time spent up to now is 297.5 secs Computing kpt #: 285 total cpu time spent up to now is 298.4 secs Computing kpt #: 286 total cpu time spent up to now is 299.3 secs Computing kpt #: 287 total cpu time spent up to now is 300.2 secs Computing kpt #: 288 total cpu time spent up to now is 301.0 secs Computing kpt #: 289 total cpu time spent up to now is 301.9 secs Computing kpt #: 290 total cpu time spent up to now is 302.6 secs Computing kpt #: 291 total cpu time spent up to now is 303.9 secs Computing kpt #: 292 total cpu time spent up to now is 304.6 secs Computing kpt #: 293 total cpu time spent up to now is 305.3 secs Computing kpt #: 294 total cpu time spent up to now is 306.1 secs Computing kpt #: 295 total cpu time spent up to now is 306.8 secs Computing kpt #: 296 total cpu time spent up to now is 307.6 secs Computing kpt #: 297 total cpu time spent up to now is 308.3 secs Computing kpt #: 298 total cpu time spent up to now is 309.4 secs Computing kpt #: 299 total cpu time spent up to now is 310.3 secs Computing kpt #: 300 total cpu time spent up to now is 311.1 secs Computing kpt #: 301 total cpu time spent up to now is 311.9 secs Computing kpt #: 302 total cpu time spent up to now is 312.7 secs Computing kpt #: 303 total cpu time spent up to now is 313.8 secs Computing kpt #: 304 total cpu time spent up to now is 314.6 secs Computing kpt #: 305 total cpu time spent up to now is 316.0 secs Computing kpt #: 306 total cpu time spent up to now is 316.9 secs Computing kpt #: 307 total cpu time spent up to now is 317.7 secs Computing kpt #: 308 total cpu time spent up to now is 318.6 secs Computing kpt #: 309 total cpu time spent up to now is 319.5 secs Computing kpt #: 310 total cpu time spent up to now is 320.4 secs Computing kpt #: 311 total cpu time spent up to now is 321.3 secs Computing kpt #: 312 total cpu time spent up to now is 322.6 secs Computing kpt #: 313 total cpu 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is 349.7 secs Computing kpt #: 344 total cpu time spent up to now is 350.3 secs Computing kpt #: 345 total cpu time spent up to now is 350.9 secs Computing kpt #: 346 total cpu time spent up to now is 351.6 secs Computing kpt #: 347 total cpu time spent up to now is 352.2 secs Computing kpt #: 348 total cpu time spent up to now is 353.7 secs Computing kpt #: 349 total cpu time spent up to now is 354.4 secs Computing kpt #: 350 total cpu time spent up to now is 355.1 secs Computing kpt #: 351 total cpu time spent up to now is 356.0 secs Computing kpt #: 352 total cpu time spent up to now is 356.9 secs Computing kpt #: 353 total cpu time spent up to now is 357.7 secs Computing kpt #: 354 total cpu time spent up to now is 358.5 secs Computing kpt #: 355 total cpu time spent up to now is 359.6 secs Computing kpt #: 356 total cpu time spent up to now is 360.4 secs Computing kpt #: 357 total cpu time spent up to now is 361.3 secs Computing kpt #: 358 total cpu time spent up to now is 362.0 secs Computing kpt #: 359 total cpu time spent up to now is 362.8 secs Computing kpt #: 360 total cpu time spent up to now is 363.6 secs Computing kpt #: 361 total cpu time spent up to now is 364.5 secs Computing kpt #: 362 total cpu time spent up to now is 365.1 secs Computing kpt #: 363 total cpu time spent up to now is 365.9 secs Computing kpt #: 364 total cpu time spent up to now is 367.1 secs Computing kpt #: 365 total cpu time spent up to now is 368.0 secs Computing kpt #: 366 total cpu time spent up to now is 368.7 secs Computing kpt #: 367 total cpu time spent up to now is 369.3 secs Computing kpt #: 368 total cpu time spent up to now is 370.0 secs Computing kpt #: 369 total cpu time spent up to now is 370.6 secs Computing kpt #: 370 total cpu time spent up to now is 371.3 secs Computing kpt #: 371 total cpu time spent up to now is 371.9 secs Computing kpt #: 372 total cpu time spent up to now is 372.6 secs Computing kpt #: 373 total cpu time spent up to now is 373.7 secs Computing kpt #: 374 total cpu time spent up to now is 374.5 secs Computing kpt #: 375 total cpu time spent up to now is 375.2 secs Computing kpt #: 376 total cpu time spent up to now is 375.8 secs Computing kpt #: 377 total cpu time spent up to now is 376.5 secs Computing kpt #: 378 total cpu time spent up to now is 377.1 secs Computing kpt #: 379 total cpu time spent up to now is 377.8 secs Computing kpt #: 380 total cpu time spent up to now is 378.4 secs Computing kpt #: 381 total cpu time spent up to now is 379.7 secs Computing kpt #: 382 total cpu time spent up to now is 380.3 secs Computing kpt #: 383 total cpu time spent up to now is 381.0 secs Computing kpt #: 384 total cpu time spent up to now is 381.6 secs Computing kpt #: 385 total cpu time spent up to now is 382.3 secs Computing kpt #: 386 total cpu time spent up to now is 383.1 secs Computing kpt #: 387 total cpu time spent up to now is 383.7 secs Computing kpt #: 388 total cpu time spent up to now is 384.3 secs Computing kpt #: 389 total cpu time spent up to now is 385.1 secs Computing kpt #: 390 total cpu time spent up to now is 386.2 secs Computing kpt #: 391 total cpu time spent up to now is 387.0 secs Computing kpt #: 392 total cpu time spent up to now is 387.7 secs Computing kpt #: 393 total cpu time spent up to now is 388.4 secs Computing kpt #: 394 total cpu time spent up to now is 389.1 secs Computing kpt #: 395 total cpu time spent up to now is 389.9 secs Computing kpt #: 396 total cpu time spent up to now is 390.6 secs Computing kpt #: 397 total cpu time spent up to now is 391.5 secs Computing kpt #: 398 total cpu time spent up to now is 392.7 secs Computing kpt #: 399 total cpu time spent up to now is 393.5 secs Computing kpt #: 400 total cpu time spent up to now is 394.3 secs Computing kpt #: 401 total cpu time spent up to now is 395.1 secs Computing kpt #: 402 total cpu time spent up to now is 395.9 secs Computing kpt #: 403 total cpu time spent up to now is 396.9 secs Computing kpt #: 404 total cpu time spent up to now is 398.1 secs Computing kpt #: 405 total cpu time spent up to now is 399.0 secs Computing kpt #: 406 total cpu time spent up to now is 399.8 secs Computing kpt #: 407 total cpu time spent up to now is 400.7 secs Computing kpt #: 408 total cpu time spent up to now is 401.6 secs Computing kpt #: 409 total cpu time spent up to now is 402.6 secs Computing kpt #: 410 total cpu time spent up to now is 404.0 secs Computing kpt #: 411 total cpu time spent up to now is 404.9 secs Computing kpt #: 412 total cpu time spent up to now is 405.9 secs Computing kpt #: 413 total cpu time spent up to now is 406.8 secs Computing kpt #: 414 total cpu time spent up to now is 407.6 secs Computing kpt #: 415 total cpu time spent up to now is 409.1 secs Computing kpt #: 416 total cpu time spent up to now is 410.1 secs Computing kpt #: 417 total cpu time spent up to now is 411.2 secs Computing kpt #: 418 total cpu time spent up to now is 412.2 secs Computing kpt #: 419 total cpu time spent up to now is 413.0 secs Computing kpt #: 420 total cpu time spent up to now is 414.1 secs Computing kpt #: 421 total cpu time spent up to now is 415.2 secs Computing kpt #: 422 total cpu time spent up to now is 415.9 secs Computing kpt #: 423 total cpu time spent up to now is 416.6 secs Computing kpt #: 424 total cpu time spent up to now is 417.4 secs Computing kpt #: 425 total cpu time spent up to now is 418.0 secs Computing kpt #: 426 total cpu time spent up to now is 418.7 secs Computing kpt #: 427 total cpu time spent up to now is 419.4 secs Computing kpt #: 428 total cpu time spent up to now is 420.0 secs Computing kpt #: 429 total cpu time spent up to now is 421.2 secs Computing kpt #: 430 total cpu time spent up to now is 422.2 secs Computing kpt #: 431 total cpu time spent up to now is 423.1 secs Computing kpt #: 432 total cpu time spent up to now is 424.0 secs Computing kpt #: 433 total cpu time spent up to now is 424.9 secs Computing kpt #: 434 total cpu time spent up to now is 425.8 secs Computing kpt #: 435 total cpu time spent up to now is 427.2 secs Computing kpt #: 436 total cpu time spent up to now is 428.1 secs Computing kpt #: 437 total cpu time spent up to now is 428.9 secs Computing kpt #: 438 total cpu time spent up to now is 429.6 secs Computing kpt #: 439 total cpu time spent up to now is 430.2 secs Computing kpt #: 440 total cpu time spent up to now is 431.0 secs Computing kpt #: 441 total cpu time spent up to now is 432.3 secs Computing kpt #: 442 total cpu time spent up to now is 433.1 secs Computing kpt #: 443 total cpu time spent up to now is 433.8 secs Computing kpt #: 444 total cpu time spent up to now is 434.4 secs Computing kpt #: 445 total cpu time spent up to now is 435.1 secs Computing kpt #: 446 total cpu time spent up to now is 435.8 secs Computing kpt #: 447 total cpu time spent up to now is 436.5 secs Computing kpt #: 448 total cpu time spent up to now is 437.5 secs Computing kpt #: 449 total cpu time spent up to now is 438.2 secs Computing kpt #: 450 total cpu time spent up to now is 438.8 secs Computing kpt #: 451 total cpu time spent up to now is 439.5 secs Computing kpt #: 452 total cpu time spent up to now is 440.2 secs Computing kpt #: 453 total cpu time spent up to now is 440.8 secs Computing kpt #: 454 total cpu time spent up to now is 441.4 secs Computing kpt #: 455 total cpu time spent up to now is 442.1 secs Computing kpt #: 456 total cpu time spent up to now is 443.1 secs Computing kpt #: 457 total cpu time spent up to now is 443.8 secs Computing kpt #: 458 total cpu time spent up to now is 444.4 secs Computing kpt #: 459 total cpu time spent up to now is 445.1 secs Computing kpt #: 460 total cpu time spent up to now is 445.7 secs ethr = 3.85E-11, avg # of iterations = 29.2 total cpu time spent up to now is 446.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3261 PWs) bands (ev): -47.2447 -47.2447 -22.0873 -22.0873 -19.2998 -19.2998 -19.1326 -19.1326 -19.1041 -19.1041 -17.3837 -17.3837 -7.5336 -7.5336 -4.4972 -4.4972 -3.9997 -3.9997 -3.7083 -3.7083 0.1829 0.1829 0.9474 0.9474 1.7250 1.7250 5.1512 5.1512 8.4397 8.4397 12.8183 12.8183 14.4900 14.4900 k =-0.0056 0.0048 0.0113 ( 3261 PWs) bands (ev): -47.2447 -47.2447 -22.0873 -22.0873 -19.2999 -19.2996 -19.1327 -19.1325 -19.1043 -19.1039 -17.3838 -17.3838 -7.5335 -7.5335 -4.4970 -4.4970 -4.0008 -3.9997 -3.7092 -3.7080 0.1823 0.1824 0.9475 0.9476 1.7253 1.7255 5.1503 5.1504 8.4415 8.4416 12.8182 12.8183 14.4921 14.4921 k =-0.0111 0.0096 0.0225 ( 3257 PWs) bands (ev): -47.2447 -47.2447 -22.0871 -22.0871 -19.2999 -19.2995 -19.1328 -19.1324 -19.1046 -19.1037 -17.3839 -17.3839 -7.5334 -7.5334 -4.4965 -4.4965 -4.0030 -4.0008 -3.7105 -3.7081 0.1807 0.1808 0.9480 0.9482 1.7266 1.7269 5.1479 5.1481 8.4469 8.4472 12.8180 12.8181 14.4984 14.4984 k =-0.0167 0.0144 0.0338 ( 3253 PWs) bands (ev): -47.2447 -47.2447 -22.0868 -22.0867 -19.3000 -19.2993 -19.1328 -19.1322 -19.1048 -19.1036 -17.3842 -17.3841 -7.5332 -7.5332 -4.4957 -4.4957 -4.0063 -4.0030 -3.7123 -3.7088 0.1780 0.1782 0.9488 0.9491 1.7288 1.7291 5.1438 5.1441 8.4561 8.4565 12.8176 12.8177 14.5088 14.5088 k =-0.0223 0.0191 0.0451 ( 3253 PWs) bands (ev): -47.2447 -47.2447 -22.0863 -22.0863 -19.3001 -19.2991 -19.1328 -19.1320 -19.1052 -19.1035 -17.3845 -17.3845 -7.5329 -7.5329 -4.4945 -4.4945 -4.0107 -4.0064 -3.7146 -3.7099 0.1742 0.1745 0.9500 0.9504 1.7318 1.7322 5.1382 5.1386 8.4689 8.4695 12.8170 12.8172 14.5234 14.5234 k =-0.0278 0.0239 0.0564 ( 3247 PWs) bands (ev): -47.2447 -47.2447 -22.0857 -22.0857 -19.3001 -19.2989 -19.1327 -19.1317 -19.1055 -19.1034 -17.3849 -17.3849 -7.5326 -7.5325 -4.4930 -4.4930 -4.0162 -4.0110 -3.7172 -3.7114 0.1695 0.1698 0.9515 0.9519 1.7356 1.7362 5.1311 5.1316 8.4854 8.4861 12.8163 12.8165 14.5419 14.5420 k =-0.0334 0.0287 0.0676 ( 3249 PWs) bands (ev): -47.2446 -47.2446 -22.0850 -22.0849 -19.3001 -19.2987 -19.1327 -19.1315 -19.1059 -19.1034 -17.3854 -17.3854 -7.5322 -7.5321 -4.4912 -4.4912 -4.0230 -4.0168 -3.7200 -3.7132 0.1637 0.1641 0.9533 0.9538 1.7403 1.7410 5.1226 5.1232 8.5054 8.5062 12.8153 12.8155 14.5644 14.5644 k =-0.0390 0.0335 0.0789 ( 3253 PWs) bands (ev): -47.2446 -47.2446 -22.0842 -22.0841 -19.3002 -19.2986 -19.1326 -19.1313 -19.1063 -19.1034 -17.3860 -17.3860 -7.5317 -7.5316 -4.4891 -4.4890 -4.0309 -4.0239 -3.7230 -3.7152 0.1569 0.1574 0.9554 0.9561 1.7457 1.7465 5.1127 5.1133 8.5289 8.5298 12.8141 12.8143 14.5905 14.5906 k =-0.0445 0.0383 0.0902 ( 3257 PWs) bands (ev): -47.2446 -47.2446 -22.0832 -22.0831 -19.3002 -19.2984 -19.1325 -19.1311 -19.1068 -19.1035 -17.3867 -17.3867 -7.5311 -7.5311 -4.4866 -4.4866 -4.0401 -4.0324 -3.7260 -3.7174 0.1493 0.1498 0.9579 0.9586 1.7518 1.7527 5.1014 5.1022 8.5558 8.5568 12.8125 12.8129 14.6201 14.6202 k =-0.0501 0.0431 0.1015 ( 3257 PWs) bands (ev): -47.2445 -47.2445 -22.0821 -22.0820 -19.3003 -19.2981 -19.1324 -19.1308 -19.1073 -19.1035 -17.3874 -17.3874 -7.5306 -7.5305 -4.4838 -4.4838 -4.0505 -4.0421 -3.7290 -3.7197 0.1408 0.1413 0.9607 0.9615 1.7587 1.7597 5.0890 5.0898 8.5861 8.5872 12.8107 12.8110 14.6529 14.6529 k =-0.0557 0.0479 0.1127 ( 3257 PWs) bands (ev): -47.2445 -47.2445 -22.0809 -22.0808 -19.3003 -19.2979 -19.1323 -19.1305 -19.1077 -19.1036 -17.3883 -17.3883 -7.5300 -7.5299 -4.4808 -4.4807 -4.0622 -4.0532 -3.7319 -3.7219 0.1314 0.1321 0.9639 0.9648 1.7662 1.7672 5.0754 5.0763 8.6197 8.6209 12.8085 12.8089 14.6884 14.6884 k =-0.0612 0.0527 0.1240 ( 3257 PWs) bands (ev): -47.2445 -47.2445 -22.0796 -22.0795 -19.3003 -19.2977 -19.1321 -19.1302 -19.1082 -19.1037 -17.3892 -17.3892 -7.5293 -7.5293 -4.4774 -4.4774 -4.0751 -4.0656 -3.7346 -3.7240 0.1214 0.1221 0.9674 0.9683 1.7742 1.7754 5.0608 5.0618 8.6564 8.6578 12.8058 12.8062 14.7259 14.7259 k =-0.0668 0.0574 0.1353 ( 3257 PWs) bands (ev): -47.2444 -47.2444 -22.0782 -22.0781 -19.3003 -19.2974 -19.1319 -19.1299 -19.1087 -19.1039 -17.3902 -17.3902 -7.5287 -7.5286 -4.4738 -4.4737 -4.0891 -4.0793 -3.7370 -3.7260 0.1106 0.1114 0.9711 0.9722 1.7829 1.7841 5.0453 5.0463 8.6963 8.6977 12.8027 12.8032 14.7645 14.7645 k =-0.0723 0.0622 0.1466 ( 3257 PWs) bands (ev): -47.2444 -47.2444 -22.0767 -22.0766 -19.3003 -19.2972 -19.1318 -19.1296 -19.1092 -19.1040 -17.3913 -17.3913 -7.5280 -7.5280 -4.4699 -4.4698 -4.1043 -4.0943 -3.7392 -3.7279 0.0992 0.1000 0.9752 0.9763 1.7920 1.7933 5.0289 5.0300 8.7391 8.7406 12.7991 12.7996 14.8028 14.8028 k =-0.0779 0.0670 0.1578 ( 3257 PWs) bands (ev): -47.2443 -47.2443 -22.0751 -22.0750 -19.3003 -19.2970 -19.1316 -19.1293 -19.1097 -19.1041 -17.3925 -17.3924 -7.5274 -7.5274 -4.4657 -4.4656 -4.1206 -4.1104 -3.7411 -3.7295 0.0873 0.0881 0.9796 0.9808 1.8016 1.8029 5.0119 5.0130 8.7848 8.7863 12.7949 12.7954 14.8386 14.8386 k =-0.0835 0.0718 0.1691 ( 3263 PWs) bands (ev): -47.2443 -47.2443 -22.0734 -22.0733 -19.3004 -19.2968 -19.1314 -19.1291 -19.1102 -19.1043 -17.3937 -17.3937 -7.5268 -7.5268 -4.4612 -4.4612 -4.1380 -4.1276 -3.7426 -3.7309 0.0749 0.0757 0.9843 0.9856 1.8115 1.8130 4.9942 4.9954 8.8333 8.8348 12.7901 12.7906 14.8684 14.8684 k =-0.0890 0.0766 0.1804 ( 3267 PWs) bands (ev): -47.2442 -47.2442 -22.0716 -22.0715 -19.3004 -19.2966 -19.1312 -19.1288 -19.1106 -19.1045 -17.3950 -17.3950 -7.5263 -7.5262 -4.4565 -4.4565 -4.1562 -4.1459 -3.7439 -3.7320 0.0620 0.0629 0.9893 0.9906 1.8218 1.8233 4.9762 4.9774 8.8844 8.8860 12.7846 12.7852 14.8827 14.8847 k =-0.0946 0.0814 0.1917 ( 3267 PWs) bands (ev): -47.2442 -47.2442 -22.0698 -22.0696 -19.3004 -19.2964 -19.1310 -19.1286 -19.1110 -19.1047 -17.3963 -17.3963 -7.5258 -7.5257 -4.4516 -4.4516 -4.1752 -4.1649 -3.7448 -3.7329 0.0487 0.0497 0.9947 0.9960 1.8324 1.8339 4.9577 4.9590 8.9381 8.9397 12.7784 12.7790 14.8763 14.8801 k =-0.1002 0.0862 0.2029 ( 3269 PWs) bands (ev): -47.2441 -47.2441 -22.0679 -22.0677 -19.3005 -19.2962 -19.1308 -19.1285 -19.1114 -19.1049 -17.3978 -17.3978 -7.5254 -7.5253 -4.4465 -4.4464 -4.1949 -4.1847 -3.7454 -3.7336 0.0353 0.0363 1.0002 1.0016 1.8432 1.8447 4.9391 4.9404 8.9941 8.9957 12.7714 12.7721 14.8659 14.8684 k =-0.1057 0.0910 0.2142 ( 3261 PWs) bands (ev): -47.2440 -47.2440 -22.0659 -22.0657 -19.3005 -19.2960 -19.1306 -19.1283 -19.1117 -19.1050 -17.3992 -17.3992 -7.5250 -7.5250 -4.4411 -4.4411 -4.2152 -4.2051 -3.7458 -3.7341 0.0217 0.0227 1.0061 1.0076 1.8541 1.8557 4.9204 4.9217 9.0525 9.0541 12.7636 12.7643 14.8305 14.8309 k =-0.1113 0.0957 0.2255 ( 3255 PWs) bands (ev): -47.2439 -47.2439 -22.0638 -22.0636 -19.3006 -19.2958 -19.1303 -19.1282 -19.1120 -19.1051 -17.4008 -17.4008 -7.5248 -7.5248 -4.4356 -4.4355 -4.2360 -4.2261 -3.7459 -3.7344 0.0079 0.0090 1.0123 1.0138 1.8652 1.8668 4.9016 4.9030 9.1130 9.1146 12.7550 12.7557 14.7722 14.7726 k =-0.1169 0.1005 0.2367 ( 3263 PWs) bands (ev): -47.2439 -47.2439 -22.0617 -22.0615 -19.3007 -19.2956 -19.1302 -19.1282 -19.1123 -19.1053 -17.4023 -17.4023 -7.5247 -7.5247 -4.4299 -4.4298 -4.2571 -4.2474 -3.7459 -3.7345 -0.0059 -0.0047 1.0187 1.0202 1.8763 1.8779 4.8830 4.8844 9.1755 9.1771 12.7454 12.7462 14.7013 14.7015 k =-0.1224 0.1053 0.2480 ( 3257 PWs) bands (ev): -47.2438 -47.2438 -22.0595 -22.0593 -19.3007 -19.2955 -19.1300 -19.1281 -19.1124 -19.1054 -17.4040 -17.4040 -7.5247 -7.5247 -4.4240 -4.4239 -4.2784 -4.2689 -3.7457 -3.7345 -0.0196 -0.0184 1.0253 1.0269 1.8875 1.8891 4.8647 4.8660 9.2400 9.2415 12.7349 12.7357 14.6222 14.6223 k =-0.1280 0.1101 0.2593 ( 3261 PWs) bands (ev): -47.2438 -47.2438 -22.0573 -22.0571 -19.3009 -19.2954 -19.1299 -19.1283 -19.1126 -19.1056 -17.4056 -17.4056 -7.5249 -7.5249 -4.4180 -4.4179 -4.2998 -4.2906 -3.7454 -3.7344 -0.0332 -0.0319 1.0322 1.0339 1.8986 1.9002 4.8466 4.8480 9.3062 9.3077 12.7234 12.7243 14.5381 14.5383 k =-0.1336 0.1149 0.2706 ( 3263 PWs) bands (ev): -47.2437 -47.2437 -22.0551 -22.0549 -19.3010 -19.2953 -19.1298 -19.1284 -19.1127 -19.1057 -17.4073 -17.4073 -7.5253 -7.5253 -4.4118 -4.4118 -4.3212 -4.3122 -3.7450 -3.7342 -0.0465 -0.0453 1.0394 1.0410 1.9097 1.9112 4.8290 4.8304 9.3741 9.3755 12.7110 12.7119 14.4512 14.4515 k =-0.1391 0.1197 0.2818 ( 3255 PWs) bands (ev): -47.2436 -47.2436 -22.0528 -22.0526 -19.3011 -19.2952 -19.1296 -19.1286 -19.1126 -19.1058 -17.4090 -17.4090 -7.5259 -7.5259 -4.4056 -4.4055 -4.3424 -4.3337 -3.7446 -3.7339 -0.0596 -0.0583 1.0467 1.0485 1.9206 1.9222 4.8120 4.8135 9.4435 9.4449 12.6975 12.6985 14.3628 14.3634 k =-0.1447 0.1245 0.2931 ( 3259 PWs) bands (ev): -47.2436 -47.2436 -22.0505 -22.0503 -19.3013 -19.2952 -19.1296 -19.1288 -19.1127 -19.1059 -17.4108 -17.4108 -7.5267 -7.5266 -4.3993 -4.3991 -4.3633 -4.3549 -3.7441 -3.7336 -0.0723 -0.0709 1.0543 1.0561 1.9314 1.9329 4.7957 4.7971 9.5142 9.5156 12.6830 12.6840 14.2740 14.2748 k =-0.1503 0.1292 0.3044 ( 3255 PWs) bands (ev): -47.2435 -47.2435 -22.0482 -22.0480 -19.3015 -19.2951 -19.1295 -19.1291 -19.1126 -19.1060 -17.4126 -17.4125 -7.5277 -7.5276 -4.3934 -4.3926 -4.3833 -4.3758 -3.7435 -3.7333 -0.0846 -0.0832 1.0621 1.0640 1.9420 1.9435 4.7801 4.7815 9.5862 9.5875 12.6674 12.6685 14.1854 14.1865 k =-0.1558 0.1340 0.3157 ( 3263 PWs) bands (ev): -47.2434 -47.2434 -22.0459 -22.0457 -19.3017 -19.2952 -19.1296 -19.1295 -19.1126 -19.1061 -17.4143 -17.4143 -7.5289 -7.5289 -4.4047 -4.3962 -4.3861 -4.3856 -3.7431 -3.7331 -0.0964 -0.0949 1.0701 1.0720 1.9524 1.9538 4.7652 4.7667 9.6593 9.6605 12.6508 12.6519 14.0975 14.0988 k =-0.1614 0.1388 0.3269 ( 3263 PWs) bands (ev): -47.2434 -47.2434 -22.0436 -22.0434 -19.3020 -19.2952 -19.1298 -19.1296 -19.1125 -19.1062 -17.4161 -17.4161 -7.5304 -7.5303 -4.4240 -4.4160 -4.3795 -4.3792 -3.7426 -3.7328 -0.1076 -0.1061 1.0783 1.0802 1.9625 1.9639 4.7514 4.7529 9.7334 9.7345 12.6332 12.6343 14.0106 14.0121 k =-0.1670 0.1436 0.3382 ( 3263 PWs) bands (ev): -47.2433 -47.2433 -22.0414 -22.0411 -19.3022 -19.2952 -19.1302 -19.1296 -19.1124 -19.1063 -17.4180 -17.4179 -7.5322 -7.5321 -4.4429 -4.4351 -4.3728 -4.3726 -3.7423 -3.7327 -0.1181 -0.1166 1.0867 1.0886 1.9724 1.9737 4.7386 4.7401 9.8083 9.8093 12.6145 12.6157 13.9251 13.9268 k =-0.1725 0.1484 0.3495 ( 3259 PWs) bands (ev): -47.2432 -47.2432 -22.0391 -22.0388 -19.3024 -19.2953 -19.1306 -19.1297 -19.1123 -19.1063 -17.4198 -17.4197 -7.5343 -7.5341 -4.4610 -4.4535 -4.3661 -4.3659 -3.7420 -3.7326 -0.1280 -0.1264 1.0953 1.0972 1.9820 1.9832 4.7269 4.7284 9.8839 9.8848 12.5947 12.5960 13.8411 13.8430 k =-0.1781 0.1532 0.3608 ( 3263 PWs) bands (ev): -47.2432 -47.2432 -22.0368 -22.0365 -19.3027 -19.2954 -19.1311 -19.1299 -19.1122 -19.1064 -17.4216 -17.4216 -7.5366 -7.5365 -4.4783 -4.4710 -4.3594 -4.3592 -3.7418 -3.7326 -0.1371 -0.1355 1.1040 1.1060 1.9912 1.9924 4.7163 4.7178 9.9600 9.9608 12.5740 12.5753 13.7589 13.7609 k =-0.1837 0.1580 0.3720 ( 3263 PWs) bands (ev): -47.2431 -47.2431 -22.0346 -22.0343 -19.3030 -19.2955 -19.1315 -19.1301 -19.1122 -19.1064 -17.4234 -17.4234 -7.5393 -7.5391 -4.4947 -4.4876 -4.3527 -4.3525 -3.7418 -3.7328 -0.1454 -0.1437 1.1128 1.1149 2.0001 2.0013 4.7069 4.7084 10.0365 10.0371 12.5522 12.5536 13.6784 13.6807 k =-0.1892 0.1628 0.3833 ( 3267 PWs) bands (ev): -47.2431 -47.2431 -22.0324 -22.0321 -19.3033 -19.2957 -19.1320 -19.1303 -19.1121 -19.1065 -17.4252 -17.4252 -7.5422 -7.5420 -4.5101 -4.5032 -4.3460 -4.3458 -3.7419 -3.7332 -0.1528 -0.1511 1.1218 1.1239 2.0087 2.0098 4.6988 4.7004 10.1131 10.1136 12.5295 12.5309 13.6000 13.6024 k =-0.1948 0.1675 0.3946 ( 3259 PWs) bands (ev): -47.2430 -47.2430 -22.0303 -22.0299 -19.3035 -19.2958 -19.1324 -19.1305 -19.1121 -19.1066 -17.4269 -17.4269 -7.5455 -7.5453 -4.5244 -4.5177 -4.3394 -4.3392 -3.7422 -3.7336 -0.1593 -0.1575 1.1309 1.1330 2.0169 2.0179 4.6921 4.6936 10.1898 10.1902 12.5059 12.5073 13.5236 13.5262 k =-0.2003 0.1723 0.4059 ( 3265 PWs) bands (ev): -47.2430 -47.2430 -22.0282 -22.0278 -19.3039 -19.2960 -19.1329 -19.1308 -19.1122 -19.1067 -17.4287 -17.4287 -7.5491 -7.5489 -4.5377 -4.5311 -4.3328 -4.3325 -3.7427 -3.7343 -0.1649 -0.1631 1.1401 1.1422 2.0247 2.0256 4.6867 4.6882 10.2663 10.2665 12.4813 12.4827 13.4494 13.4521 k =-0.2059 0.1771 0.4171 ( 3265 PWs) bands (ev): -47.2429 -47.2429 -22.0261 -22.0258 -19.3042 -19.2963 -19.1333 -19.1311 -19.1122 -19.1068 -17.4304 -17.4304 -7.5530 -7.5528 -4.5497 -4.5434 -4.3262 -4.3259 -3.7434 -3.7352 -0.1694 -0.1676 1.1494 1.1516 2.0321 2.0330 4.6827 4.6843 10.3424 10.3425 12.4558 12.4572 13.3774 13.3803 k =-0.2115 0.1819 0.4284 ( 3277 PWs) bands (ev): -47.2429 -47.2429 -22.0241 -22.0238 -19.3046 -19.2965 -19.1338 -19.1315 -19.1124 -19.1070 -17.4321 -17.4321 -7.5573 -7.5570 -4.5606 -4.5544 -4.3197 -4.3194 -3.7443 -3.7363 -0.1730 -0.1711 1.1588 1.1610 2.0392 2.0399 4.6802 4.6817 10.4178 10.4179 12.4294 12.4308 13.3078 13.3108 k =-0.2170 0.1867 0.4397 ( 3265 PWs) bands (ev): -47.2429 -47.2429 -22.0222 -22.0218 -19.3048 -19.2967 -19.1342 -19.1318 -19.1124 -19.1070 -17.4338 -17.4338 -7.5620 -7.5616 -4.5701 -4.5641 -4.3132 -4.3130 -3.7454 -3.7376 -0.1754 -0.1735 1.1683 1.1705 2.0458 2.0464 4.6792 4.6807 10.4924 10.4927 12.4022 12.4036 13.2407 13.2438 k =-0.2226 0.1915 0.4509 ( 3265 PWs) bands (ev): -47.2428 -47.2428 -22.0203 -22.0200 -19.3052 -19.2970 -19.1346 -19.1322 -19.1126 -19.1072 -17.4354 -17.4354 -7.5669 -7.5665 -4.5783 -4.5724 -4.3069 -4.3066 -3.7468 -3.7391 -0.1768 -0.1749 1.1778 1.1801 2.0520 2.0526 4.6796 4.6812 10.5658 10.5663 12.3742 12.3755 13.1761 13.1794 k =-0.2282 0.1963 0.4622 ( 3261 PWs) bands (ev): -47.2428 -47.2428 -22.0185 -22.0182 -19.3055 -19.2973 -19.1350 -19.1326 -19.1128 -19.1073 -17.4370 -17.4370 -7.5722 -7.5718 -4.5851 -4.5794 -4.3006 -4.3003 -3.7483 -3.7408 -0.1771 -0.1751 1.1874 1.1897 2.0578 2.0583 4.6816 4.6832 10.6379 10.6386 12.3453 12.3465 13.1142 13.1176 k =-0.2337 0.2010 0.4735 ( 3257 PWs) bands (ev): -47.2428 -47.2428 -22.0168 -22.0164 -19.3059 -19.2976 -19.1354 -19.1331 -19.1131 -19.1075 -17.4385 -17.4385 -7.5779 -7.5774 -4.5906 -4.5851 -4.2945 -4.2942 -3.7502 -3.7428 -0.1762 -0.1741 1.1970 1.1993 2.0632 2.0636 4.6851 4.6867 10.7083 10.7093 12.3156 12.3167 13.0550 13.0585 k =-0.2393 0.2058 0.4848 ( 3257 PWs) bands (ev): -47.2428 -47.2428 -22.0151 -22.0148 -19.3062 -19.2979 -19.1358 -19.1336 -19.1134 -19.1077 -17.4400 -17.4400 -7.5838 -7.5834 -4.5947 -4.5893 -4.2885 -4.2881 -3.7523 -3.7451 -0.1742 -0.1721 1.2066 1.2089 2.0682 2.0685 4.6902 4.6918 10.7768 10.7779 12.2851 12.2861 12.9987 13.0023 k =-0.2449 0.2106 0.4960 ( 3255 PWs) bands (ev): -47.2427 -47.2427 -22.0136 -22.0132 -19.3066 -19.2983 -19.1362 -19.1342 -19.1138 -19.1079 -17.4415 -17.4415 -7.5901 -7.5897 -4.5973 -4.5920 -4.2826 -4.2823 -3.7546 -3.7475 -0.1711 -0.1689 1.2161 1.2185 2.0728 2.0730 4.6968 4.6984 10.8429 10.8443 12.2538 12.2548 12.9453 12.9489 k =-0.2504 0.2154 0.5073 ( 3263 PWs) bands (ev): -47.2427 -47.2427 -22.0121 -22.0117 -19.3070 -19.2987 -19.1367 -19.1348 -19.1141 -19.1081 -17.4429 -17.4429 -7.5968 -7.5963 -4.5986 -4.5934 -4.2768 -4.2765 -3.7572 -3.7503 -0.1669 -0.1647 1.2257 1.2282 2.0770 2.0771 4.7048 4.7064 10.9062 10.9079 12.2219 12.2227 12.8950 12.8986 k =-0.2560 0.2202 0.5186 ( 3255 PWs) bands (ev): -47.2427 -47.2427 -22.0107 -22.0103 -19.3073 -19.2991 -19.1371 -19.1354 -19.1145 -19.1083 -17.4442 -17.4442 -7.6037 -7.6032 -4.5983 -4.5933 -4.2712 -4.2708 -3.7600 -3.7533 -0.1615 -0.1592 1.2353 1.2378 2.0808 2.0808 4.7144 4.7161 10.9664 10.9684 12.1894 12.1899 12.8477 12.8514 k =-0.2616 0.2250 0.5299 ( 3255 PWs) bands (ev): -47.2427 -47.2427 -22.0094 -22.0090 -19.3077 -19.2995 -19.1375 -19.1361 -19.1150 -19.1086 -17.4455 -17.4455 -7.6110 -7.6104 -4.5967 -4.5918 -4.2657 -4.2653 -3.7631 -3.7565 -0.1549 -0.1526 1.2448 1.2473 2.0841 2.0842 4.7255 4.7272 11.0229 11.0252 12.1563 12.1567 12.8035 12.8072 k =-0.2671 0.2298 0.5411 ( 3255 PWs) bands (ev): -47.2427 -47.2427 -22.0081 -22.0077 -19.3081 -19.3000 -19.1379 -19.1368 -19.1154 -19.1088 -17.4468 -17.4468 -7.6185 -7.6179 -4.5936 -4.5888 -4.2604 -4.2600 -3.7665 -3.7601 -0.1473 -0.1449 1.2543 1.2568 2.0871 2.0873 4.7381 4.7398 11.0753 11.0779 12.1230 12.1231 12.7623 12.7661 k =-0.2727 0.2346 0.5524 ( 3257 PWs) bands (ev): -47.2427 -47.2427 -22.0070 -22.0066 -19.3086 -19.3005 -19.1384 -19.1375 -19.1159 -19.1091 -17.4480 -17.4480 -7.6263 -7.6257 -4.5891 -4.5844 -4.2552 -4.2547 -3.7701 -3.7638 -0.1385 -0.1361 1.2637 1.2662 2.0897 2.0899 4.7521 4.7538 11.1231 11.1259 12.0894 12.0895 12.7241 12.7279 k =-0.2783 0.2393 0.5637 ( 3253 PWs) bands (ev): -47.2427 -47.2427 -22.0059 -22.0055 -19.3090 -19.3010 -19.1388 -19.1383 -19.1164 -19.1093 -17.4491 -17.4491 -7.6344 -7.6338 -4.5832 -4.5786 -4.2501 -4.2497 -3.7740 -3.7678 -0.1286 -0.1262 1.2730 1.2756 2.0920 2.0923 4.7676 4.7692 11.1656 11.1688 12.0557 12.0561 12.6888 12.6925 k =-0.2838 0.2441 0.5750 ( 3253 PWs) bands (ev): -47.2427 -47.2427 -22.0050 -22.0046 -19.3094 -19.3015 -19.1393 -19.1391 -19.1169 -19.1095 -17.4502 -17.4501 -7.6427 -7.6421 -4.5759 -4.5714 -4.2452 -4.2448 -3.7781 -3.7720 -0.1176 -0.1152 1.2822 1.2848 2.0939 2.0943 4.7843 4.7860 11.2024 11.2059 12.0224 12.0230 12.6561 12.6598 k =-0.2894 0.2489 0.5862 ( 3245 PWs) bands (ev): -47.2428 -47.2428 -22.0041 -22.0037 -19.3098 -19.3020 -19.1399 -19.1397 -19.1173 -19.1097 -17.4512 -17.4512 -7.6513 -7.6506 -4.5673 -4.5629 -4.2405 -4.2401 -3.7824 -3.7764 -0.1056 -0.1031 1.2913 1.2939 2.0955 2.0959 4.8025 4.8041 11.2329 11.2367 11.9898 11.9906 12.6257 12.6294 k =-0.2950 0.2537 0.5975 ( 3241 PWs) bands (ev): -47.2428 -47.2428 -22.0033 -22.0029 -19.3103 -19.3026 -19.1408 -19.1402 -19.1178 -19.1099 -17.4521 -17.4521 -7.6600 -7.6593 -4.5573 -4.5530 -4.2360 -4.2355 -3.7869 -3.7811 -0.0926 -0.0901 1.3003 1.3029 2.0968 2.0973 4.8219 4.8235 11.2568 11.2608 11.9581 11.9591 12.5975 12.6011 k =-0.3005 0.2585 0.6088 ( 3239 PWs) bands (ev): -47.2428 -47.2428 -22.0026 -22.0022 -19.3107 -19.3032 -19.1417 -19.1407 -19.1182 -19.1101 -17.4530 -17.4530 -7.6690 -7.6683 -4.5461 -4.5419 -4.2316 -4.2311 -3.7917 -3.7860 -0.0786 -0.0761 1.3092 1.3118 2.0977 2.0983 4.8424 4.8440 11.2737 11.2779 11.9274 11.9285 12.5709 12.5744 k =-0.3061 0.2633 0.6201 ( 3241 PWs) bands (ev): -47.2428 -47.2428 -22.0020 -22.0016 -19.3112 -19.3039 -19.1427 -19.1413 -19.1186 -19.1103 -17.4538 -17.4538 -7.6781 -7.6774 -4.5336 -4.5295 -4.2273 -4.2269 -3.7966 -3.7910 -0.0637 -0.0612 1.3179 1.3206 2.0984 2.0990 4.8641 4.8657 11.2834 11.2877 11.8979 11.8991 12.5456 12.5491 k =-0.3117 0.2681 0.6313 ( 3232 PWs) bands (ev): -47.2428 -47.2428 -22.0014 -22.0010 -19.3117 -19.3045 -19.1436 -19.1418 -19.1190 -19.1105 -17.4546 -17.4546 -7.6873 -7.6866 -4.5200 -4.5159 -4.2233 -4.2228 -3.8017 -3.7962 -0.0480 -0.0454 1.3265 1.3292 2.0988 2.0995 4.8869 4.8885 11.2860 11.2904 11.8694 11.8706 12.5212 12.5246 k =-0.3172 0.2729 0.6426 ( 3228 PWs) bands (ev): -47.2429 -47.2429 -22.0010 -22.0006 -19.3122 -19.3052 -19.1445 -19.1424 -19.1192 -19.1106 -17.4553 -17.4553 -7.6967 -7.6960 -4.5052 -4.5013 -4.2193 -4.2188 -3.8070 -3.8016 -0.0314 -0.0288 1.3349 1.3376 2.0990 2.0998 4.9107 4.9123 11.2819 11.2861 11.8417 11.8429 12.4974 12.5006 k =-0.3228 0.2776 0.6539 ( 3222 PWs) bands (ev): -47.2429 -47.2429 -22.0006 -22.0002 -19.3128 -19.3060 -19.1455 -19.1431 -19.1195 -19.1107 -17.4559 -17.4559 -7.7062 -7.7054 -4.4894 -4.4855 -4.2156 -4.2151 -3.8124 -3.8071 -0.0141 -0.0115 1.3432 1.3458 2.0990 2.0998 4.9355 4.9370 11.2715 11.2756 11.8142 11.8153 12.4737 12.4768 k =-0.3284 0.2824 0.6651 ( 3218 PWs) bands (ev): -47.2429 -47.2429 -22.0003 -21.9999 -19.3133 -19.3067 -19.1465 -19.1438 -19.1196 -19.1108 -17.4565 -17.4565 -7.7157 -7.7149 -4.4726 -4.4688 -4.2120 -4.2115 -3.8180 -3.8128 0.0039 0.0066 1.3512 1.3539 2.0987 2.0995 4.9611 4.9626 11.2555 11.2594 11.7863 11.7872 12.4500 12.4529 k =-0.3339 0.2872 0.6764 ( 3218 PWs) bands (ev): -47.2430 -47.2430 -22.0001 -21.9997 -19.3139 -19.3075 -19.1475 -19.1445 -19.1198 -19.1109 -17.4571 -17.4571 -7.7253 -7.7245 -4.4549 -4.4511 -4.2085 -4.2080 -3.8236 -3.8186 0.0226 0.0253 1.3590 1.3617 2.0982 2.0990 4.9874 4.9889 11.2348 11.2384 11.7573 11.7580 12.4261 12.4288 k =-0.3395 0.2920 0.6877 ( 3220 PWs) bands (ev): -47.2430 -47.2430 -21.9999 -21.9995 -19.3146 -19.3084 -19.1486 -19.1454 -19.1199 -19.1109 -17.4576 -17.4576 -7.7349 -7.7341 -4.4364 -4.4326 -4.2053 -4.2048 -3.8294 -3.8244 0.0419 0.0445 1.3666 1.3693 2.0975 2.0984 5.0144 5.0159 11.2100 11.2134 11.7265 11.7270 12.4021 12.4045 k =-0.3450 0.2968 0.6990 ( 3220 PWs) bands (ev): -47.2431 -47.2431 -21.9998 -21.9994 -19.3153 -19.3093 -19.1496 -19.1462 -19.1199 -19.1110 -17.4581 -17.4580 -7.7445 -7.7437 -4.4171 -4.4134 -4.2022 -4.2017 -3.8352 -3.8304 0.0616 0.0643 1.3740 1.3767 2.0966 2.0975 5.0420 5.0435 11.1820 11.1851 11.6932 11.6936 12.3779 12.3802 k =-0.3506 0.3016 0.7102 ( 3228 PWs) bands (ev): -47.2431 -47.2431 -21.9998 -21.9994 -19.3160 -19.3102 -19.1506 -19.1471 -19.1199 -19.1110 -17.4585 -17.4585 -7.7540 -7.7532 -4.3972 -4.3935 -4.1992 -4.1987 -3.8412 -3.8364 0.0818 0.0844 1.3812 1.3839 2.0956 2.0965 5.0701 5.0715 11.1515 11.1543 11.6570 11.6572 12.3469 12.3500 k =-0.3506 0.3016 0.7102 ( 3228 PWs) bands (ev): -47.2431 -47.2431 -21.9998 -21.9994 -19.3160 -19.3102 -19.1506 -19.1471 -19.1199 -19.1110 -17.4585 -17.4585 -7.7540 -7.7532 -4.3972 -4.3935 -4.1992 -4.1987 -3.8412 -3.8364 0.0818 0.0844 1.3812 1.3839 2.0956 2.0965 5.0701 5.0715 11.1515 11.1543 11.6570 11.6572 12.3469 12.3500 k =-0.3443 0.2961 0.7157 ( 3228 PWs) bands (ev): -47.2431 -47.2431 -21.9998 -21.9994 -19.3160 -19.3103 -19.1506 -19.1471 -19.1198 -19.1110 -17.4585 -17.4584 -7.7537 -7.7529 -4.3972 -4.3936 -4.1995 -4.1990 -3.8409 -3.8361 0.0814 0.0841 1.3802 1.3829 2.0959 2.0971 5.0702 5.0716 11.1511 11.1539 11.6563 11.6567 12.3486 12.3527 k =-0.3379 0.2907 0.7211 ( 3227 PWs) bands (ev): -47.2431 -47.2431 -21.9998 -21.9994 -19.3160 -19.3103 -19.1507 -19.1471 -19.1198 -19.1110 -17.4585 -17.4584 -7.7527 -7.7520 -4.3972 -4.3936 -4.2005 -4.1998 -3.8403 -3.8355 0.0803 0.0830 1.3772 1.3801 2.0971 2.0987 5.0705 5.0719 11.1499 11.1527 11.6546 11.6554 12.3515 12.3556 k =-0.3379 0.2907 0.7211 ( 3227 PWs) bands (ev): -47.2431 -47.2431 -21.9998 -21.9994 -19.3160 -19.3103 -19.1507 -19.1471 -19.1198 -19.1110 -17.4585 -17.4584 -7.7527 -7.7520 -4.3972 -4.3936 -4.2005 -4.1998 -3.8403 -3.8355 0.0803 0.0830 1.3772 1.3801 2.0971 2.0987 5.0705 5.0719 11.1499 11.1527 11.6546 11.6554 12.3515 12.3556 k =-0.3280 0.2821 0.7211 ( 3222 PWs) bands (ev): -47.2431 -47.2431 -21.9999 -21.9995 -19.3157 -19.3098 -19.1502 -19.1467 -19.1198 -19.1109 -17.4582 -17.4581 -7.7459 -7.7452 -4.4080 -4.4044 -4.2037 -4.2028 -3.8360 -3.8311 0.0676 0.0703 1.3681 1.3713 2.0997 2.1020 5.0560 5.0575 11.1639 11.1668 11.6730 11.6741 12.3685 12.3713 k =-0.3180 0.2736 0.7211 ( 3228 PWs) bands (ev): -47.2431 -47.2431 -21.9999 -21.9995 -19.3154 -19.3095 -19.1498 -19.1463 -19.1199 -19.1109 -17.4578 -17.4577 -7.7384 -7.7377 -4.4186 -4.4151 -4.2075 -4.2065 -3.8313 -3.8264 0.0540 0.0568 1.3570 1.3606 2.1032 2.1060 5.0421 5.0435 11.1760 11.1790 11.6922 11.6935 12.3843 12.3871 k =-0.3081 0.2650 0.7211 ( 3226 PWs) bands (ev): -47.2431 -47.2431 -22.0000 -21.9996 -19.3152 -19.3091 -19.1495 -19.1460 -19.1198 -19.1108 -17.4574 -17.4572 -7.7302 -7.7295 -4.4291 -4.4257 -4.2118 -4.2107 -3.8263 -3.8213 0.0397 0.0425 1.3442 1.3480 2.1074 2.1107 5.0286 5.0300 11.1860 11.1891 11.7131 11.7146 12.4008 12.4037 k =-0.2982 0.2565 0.7211 ( 3224 PWs) bands (ev): -47.2430 -47.2430 -22.0000 -21.9997 -19.3150 -19.3089 -19.1492 -19.1458 -19.1197 -19.1107 -17.4568 -17.4566 -7.7214 -7.7206 -4.4396 -4.4362 -4.2166 -4.2153 -3.8210 -3.8160 0.0248 0.0276 1.3298 1.3340 2.1122 2.1159 5.0156 5.0170 11.1938 11.1970 11.7364 11.7381 12.4181 12.4212 k =-0.2882 0.2479 0.7211 ( 3224 PWs) bands (ev): -47.2430 -47.2430 -22.0001 -21.9997 -19.3149 -19.3088 -19.1490 -19.1456 -19.1196 -19.1106 -17.4561 -17.4559 -7.7119 -7.7112 -4.4501 -4.4467 -4.2216 -4.2202 -3.8155 -3.8104 0.0091 0.0120 1.3142 1.3186 2.1174 2.1215 5.0031 5.0045 11.1996 11.2028 11.7625 11.7642 12.4361 12.4393 k =-0.2783 0.2394 0.7211 ( 3226 PWs) bands (ev): -47.2430 -47.2430 -22.0002 -21.9998 -19.3148 -19.3088 -19.1490 -19.1456 -19.1195 -19.1105 -17.4553 -17.4551 -7.7019 -7.7012 -4.4605 -4.4573 -4.2269 -4.2253 -3.8098 -3.8047 -0.0071 -0.0041 1.2974 1.3020 2.1230 2.1273 4.9912 4.9927 11.2035 11.2066 11.7914 11.7932 12.4546 12.4580 k =-0.2683 0.2308 0.7211 ( 3226 PWs) bands (ev): -47.2430 -47.2430 -22.0002 -21.9999 -19.3148 -19.3088 -19.1490 -19.1456 -19.1193 -19.1104 -17.4544 -17.4541 -7.6914 -7.6907 -4.4710 -4.4678 -4.2322 -4.2305 -3.8039 -3.7988 -0.0238 -0.0208 1.2797 1.2845 2.1288 2.1333 4.9800 4.9814 11.2058 11.2088 11.8231 11.8248 12.4737 12.4772 k =-0.2584 0.2223 0.7211 ( 3234 PWs) bands (ev): -47.2430 -47.2430 -22.0003 -21.9999 -19.3149 -19.3090 -19.1492 -19.1458 -19.1192 -19.1103 -17.4533 -17.4530 -7.6805 -7.6798 -4.4816 -4.4786 -4.2376 -4.2357 -3.7980 -3.7929 -0.0410 -0.0380 1.2612 1.2662 2.1346 2.1394 4.9693 4.9707 11.2066 11.2095 11.8572 11.8588 12.4931 12.4968 k =-0.2485 0.2137 0.7211 ( 3234 PWs) bands (ev): -47.2429 -47.2429 -22.0003 -21.9999 -19.3150 -19.3093 -19.1494 -19.1460 -19.1190 -19.1102 -17.4520 -17.4517 -7.6691 -7.6684 -4.4923 -4.4894 -4.2428 -4.2408 -3.7921 -3.7870 -0.0585 -0.0555 1.2421 1.2473 2.1406 2.1455 4.9593 4.9607 11.2063 11.2091 11.8934 11.8950 12.5127 12.5165 k =-0.2385 0.2052 0.7211 ( 3228 PWs) bands (ev): -47.2429 -47.2429 -22.0003 -21.9999 -19.3152 -19.3096 -19.1497 -19.1463 -19.1187 -19.1101 -17.4506 -17.4503 -7.6573 -7.6567 -4.5032 -4.5004 -4.2477 -4.2456 -3.7862 -3.7811 -0.0762 -0.0732 1.2226 1.2278 2.1466 2.1515 4.9500 4.9513 11.2051 11.2078 11.9313 11.9329 12.5324 12.5363 k =-0.2286 0.1966 0.7211 ( 3228 PWs) bands (ev): -47.2429 -47.2429 -22.0003 -21.9999 -19.3155 -19.3101 -19.1501 -19.1468 -19.1185 -19.1101 -17.4490 -17.4487 -7.6453 -7.6447 -4.5143 -4.5117 -4.2523 -4.2501 -3.7804 -3.7753 -0.0942 -0.0911 1.2028 1.2080 2.1525 2.1575 4.9412 4.9426 11.2033 11.2058 11.9707 11.9722 12.5520 12.5559 k =-0.2187 0.1881 0.7211 ( 3224 PWs) bands (ev): -47.2429 -47.2429 -22.0002 -21.9999 -19.3158 -19.3106 -19.1506 -19.1473 -19.1182 -19.1100 -17.4473 -17.4470 -7.6331 -7.6325 -4.5256 -4.5231 -4.2565 -4.2542 -3.7747 -3.7697 -0.1122 -0.1091 1.1828 1.1880 2.1583 2.1633 4.9332 4.9345 11.2010 11.2034 12.0110 12.0125 12.5713 12.5753 k =-0.2087 0.1795 0.7211 ( 3226 PWs) bands (ev): -47.2429 -47.2429 -22.0001 -21.9998 -19.3162 -19.3113 -19.1512 -19.1479 -19.1179 -19.1100 -17.4455 -17.4452 -7.6207 -7.6201 -4.5372 -4.5348 -4.2601 -4.2578 -3.7692 -3.7642 -0.1301 -0.1270 1.1626 1.1678 2.1640 2.1689 4.9257 4.9270 11.1984 11.2007 12.0520 12.0535 12.5902 12.5942 k =-0.1988 0.1710 0.7211 ( 3229 PWs) bands (ev): -47.2428 -47.2428 -22.0000 -21.9997 -19.3167 -19.3120 -19.1519 -19.1486 -19.1176 -19.1100 -17.4435 -17.4432 -7.6082 -7.6077 -4.5490 -4.5468 -4.2633 -4.2608 -3.7640 -3.7590 -0.1479 -0.1448 1.1425 1.1477 2.1695 2.1743 4.9189 4.9201 11.1957 11.1978 12.0934 12.0949 12.6086 12.6125 k =-0.1888 0.1624 0.7211 ( 3224 PWs) bands (ev): -47.2428 -47.2428 -21.9999 -21.9996 -19.3172 -19.3128 -19.1526 -19.1494 -19.1173 -19.1100 -17.4415 -17.4412 -7.5957 -7.5951 -4.5610 -4.5589 -4.2658 -4.2633 -3.7589 -3.7540 -0.1654 -0.1623 1.1225 1.1276 2.1749 2.1796 4.9127 4.9139 11.1929 11.1949 12.1347 12.1363 12.6264 12.6303 k =-0.1789 0.1539 0.7211 ( 3228 PWs) bands (ev): -47.2428 -47.2428 -21.9998 -21.9995 -19.3178 -19.3137 -19.1533 -19.1502 -19.1170 -19.1100 -17.4394 -17.4390 -7.5832 -7.5827 -4.5731 -4.5712 -4.2677 -4.2651 -3.7541 -3.7494 -0.1826 -0.1795 1.1026 1.1076 2.1800 2.1845 4.9070 4.9082 11.1901 11.1920 12.1758 12.1775 12.6435 12.6473 k =-0.1690 0.1453 0.7211 ( 3228 PWs) bands (ev): -47.2428 -47.2428 -21.9996 -21.9993 -19.3185 -19.3146 -19.1541 -19.1511 -19.1167 -19.1101 -17.4372 -17.4368 -7.5708 -7.5703 -4.5854 -4.5836 -4.2691 -4.2664 -3.7497 -3.7450 -0.1993 -0.1963 1.0831 1.0880 2.1849 2.1893 4.9020 4.9031 11.1874 11.1891 12.2164 12.2181 12.6599 12.6636 k =-0.1590 0.1368 0.7211 ( 3228 PWs) bands (ev): -47.2428 -47.2428 -21.9994 -21.9992 -19.3192 -19.3156 -19.1549 -19.1521 -19.1164 -19.1102 -17.4349 -17.4346 -7.5586 -7.5582 -4.5976 -4.5960 -4.2698 -4.2672 -3.7455 -3.7410 -0.2154 -0.2124 1.0640 1.0688 2.1895 2.1938 4.8975 4.8985 11.1847 11.1864 12.2561 12.2580 12.6757 12.6792 k =-0.1491 0.1282 0.7211 ( 3223 PWs) bands (ev): -47.2428 -47.2428 -21.9992 -21.9990 -19.3199 -19.3165 -19.1557 -19.1530 -19.1160 -19.1103 -17.4326 -17.4323 -7.5467 -7.5463 -4.6098 -4.6083 -4.2700 -4.2673 -3.7417 -3.7373 -0.2308 -0.2280 1.0455 1.0500 2.1940 2.1980 4.8935 4.8945 11.1822 11.1838 12.2947 12.2968 12.6908 12.6941 k =-0.1391 0.1197 0.7211 ( 3224 PWs) bands (ev): -47.2428 -47.2428 -21.9990 -21.9988 -19.3207 -19.3176 -19.1566 -19.1540 -19.1158 -19.1104 -17.4303 -17.4300 -7.5350 -7.5347 -4.6219 -4.6205 -4.2697 -4.2671 -3.7383 -3.7340 -0.2456 -0.2429 1.0275 1.0319 2.1981 2.2020 4.8899 4.8909 11.1799 11.1813 12.3319 12.3342 12.7054 12.7085 k =-0.1292 0.1111 0.7211 ( 3226 PWs) bands (ev): -47.2428 -47.2428 -21.9988 -21.9986 -19.3215 -19.3186 -19.1574 -19.1550 -19.1155 -19.1105 -17.4281 -17.4278 -7.5238 -7.5235 -4.6337 -4.6324 -4.2689 -4.2663 -3.7352 -3.7311 -0.2596 -0.2569 1.0102 1.0144 2.2021 2.2057 4.8868 4.8877 11.1778 11.1791 12.3674 12.3698 12.7196 12.7225 k =-0.1193 0.1026 0.7211 ( 3232 PWs) bands (ev): -47.2428 -47.2428 -21.9986 -21.9984 -19.3223 -19.3197 -19.1582 -19.1559 -19.1153 -19.1107 -17.4259 -17.4256 -7.5131 -7.5128 -4.6452 -4.6440 -4.2677 -4.2653 -3.7324 -3.7286 -0.2726 -0.2701 0.9937 0.9976 2.2057 2.2091 4.8841 4.8849 11.1758 11.1770 12.4008 12.4034 12.7335 12.7362 k =-0.1093 0.0940 0.7211 ( 3232 PWs) bands (ev): -47.2427 -47.2427 -21.9984 -21.9982 -19.3230 -19.3207 -19.1590 -19.1569 -19.1150 -19.1108 -17.4237 -17.4234 -7.5029 -7.5026 -4.6562 -4.6552 -4.2663 -4.2639 -3.7300 -3.7264 -0.2848 -0.2824 0.9781 0.9818 2.2091 2.2122 4.8817 4.8826 11.1740 11.1751 12.4319 12.4347 12.7473 12.7498 k =-0.0994 0.0855 0.7211 ( 3235 PWs) bands (ev): -47.2427 -47.2427 -21.9981 -21.9980 -19.3238 -19.3218 -19.1597 -19.1578 -19.1148 -19.1110 -17.4217 -17.4214 -7.4933 -7.4931 -4.6667 -4.6657 -4.2646 -4.2623 -3.7279 -3.7245 -0.2960 -0.2938 0.9635 0.9669 2.2122 2.2151 4.8797 4.8805 11.1724 11.1734 12.4604 12.4633 12.7611 12.7634 k =-0.0894 0.0769 0.7211 ( 3242 PWs) bands (ev): -47.2427 -47.2427 -21.9979 -21.9978 -19.3246 -19.3227 -19.1605 -19.1587 -19.1146 -19.1111 -17.4197 -17.4195 -7.4845 -7.4842 -4.6765 -4.6757 -4.2627 -4.2606 -3.7261 -3.7230 -0.3062 -0.3042 0.9500 0.9531 2.2151 2.2176 4.8780 4.8787 11.1709 11.1718 12.4860 12.4889 12.7748 12.7771 k =-0.0795 0.0684 0.7211 ( 3250 PWs) bands (ev): -47.2428 -47.2428 -21.9977 -21.9976 -19.3253 -19.3237 -19.1611 -19.1595 -19.1144 -19.1113 -17.4180 -17.4177 -7.4763 -7.4761 -4.6856 -4.6848 -4.2608 -4.2588 -3.7246 -3.7218 -0.3154 -0.3135 0.9377 0.9405 2.2176 2.2199 4.8766 4.8772 11.1697 11.1705 12.5085 12.5115 12.7886 12.7907 k =-0.0696 0.0598 0.7211 ( 3245 PWs) bands (ev): -47.2427 -47.2427 -21.9975 -21.9974 -19.3259 -19.3245 -19.1616 -19.1603 -19.1141 -19.1115 -17.4163 -17.4161 -7.4690 -7.4688 -4.6938 -4.6932 -4.2588 -4.2571 -3.7233 -3.7208 -0.3235 -0.3218 0.9266 0.9291 2.2199 2.2219 4.8755 4.8760 11.1686 11.1693 12.5280 12.5308 12.8022 12.8042 k =-0.0596 0.0513 0.7211 ( 3241 PWs) bands (ev): -47.2427 -47.2427 -21.9974 -21.9972 -19.3264 -19.3252 -19.1621 -19.1609 -19.1139 -19.1116 -17.4148 -17.4147 -7.4625 -7.4623 -4.7011 -4.7005 -4.2569 -4.2554 -3.7223 -3.7201 -0.3305 -0.3291 0.9168 0.9190 2.2219 2.2237 4.8746 4.8750 11.1677 11.1683 12.5444 12.5470 12.8154 12.8172 k =-0.0497 0.0427 0.7211 ( 3247 PWs) bands (ev): -47.2427 -47.2427 -21.9972 -21.9971 -19.3269 -19.3260 -19.1625 -19.1615 -19.1137 -19.1118 -17.4136 -17.4134 -7.4569 -7.4568 -4.7074 -4.7069 -4.2552 -4.2539 -3.7214 -3.7196 -0.3364 -0.3352 0.9085 0.9103 2.2236 2.2251 4.8738 4.8742 11.1669 11.1674 12.5578 12.5601 12.8276 12.8292 k =-0.0398 0.0342 0.7211 ( 3243 PWs) bands (ev): -47.2427 -47.2427 -21.9971 -21.9970 -19.3273 -19.3265 -19.1628 -19.1620 -19.1135 -19.1120 -17.4125 -17.4124 -7.4523 -7.4522 -4.7126 -4.7123 -4.2536 -4.2525 -3.7207 -3.7192 -0.3413 -0.3403 0.9016 0.9031 2.2251 2.2263 4.8733 4.8736 11.1663 11.1667 12.5684 12.5703 12.8386 12.8399 k =-0.0298 0.0256 0.7211 ( 3243 PWs) bands (ev): -47.2427 -47.2427 -21.9970 -21.9969 -19.3276 -19.3270 -19.1631 -19.1625 -19.1133 -19.1122 -17.4117 -17.4116 -7.4486 -7.4486 -4.7168 -4.7165 -4.2523 -4.2515 -3.7201 -3.7190 -0.3450 -0.3443 0.8962 0.8974 2.2262 2.2271 4.8728 4.8731 11.1659 11.1661 12.5765 12.5780 12.8478 12.8488 k =-0.0199 0.0171 0.7211 ( 3243 PWs) bands (ev): -47.2427 -47.2427 -21.9969 -21.9968 -19.3278 -19.3274 -19.1632 -19.1628 -19.1131 -19.1123 -17.4111 -17.4110 -7.4460 -7.4460 -4.7197 -4.7195 -4.2513 -4.2508 -3.7197 -3.7189 -0.3476 -0.3472 0.8924 0.8932 2.2271 2.2277 4.8725 4.8727 11.1655 11.1657 12.5821 12.5832 12.8547 12.8554 k =-0.0099 0.0085 0.7211 ( 3246 PWs) bands (ev): -47.2427 -47.2427 -21.9968 -21.9968 -19.3279 -19.3277 -19.1632 -19.1630 -19.1129 -19.1125 -17.4107 -17.4107 -7.4444 -7.4444 -4.7215 -4.7214 -4.2507 -4.2504 -3.7194 -3.7190 -0.3492 -0.3489 0.8902 0.8906 2.2277 2.2280 4.8724 4.8725 11.1654 11.1655 12.5856 12.5861 12.8591 12.8595 k = 0.0000 0.0000 0.7211 ( 3244 PWs) bands (ev): -47.2427 -47.2427 -21.9968 -21.9968 -19.3278 -19.3278 -19.1632 -19.1632 -19.1127 -19.1127 -17.4105 -17.4105 -7.4439 -7.4439 -4.7221 -4.7221 -4.2503 -4.2503 -3.7191 -3.7191 -0.3496 -0.3496 0.8896 0.8896 2.2280 2.2280 4.8724 4.8724 11.1654 11.1654 12.5869 12.5869 12.8607 12.8607 k = 0.0000 0.0000 0.7211 ( 3244 PWs) bands (ev): -47.2427 -47.2427 -21.9968 -21.9968 -19.3278 -19.3278 -19.1632 -19.1632 -19.1127 -19.1127 -17.4105 -17.4105 -7.4439 -7.4439 -4.7221 -4.7221 -4.2503 -4.2503 -3.7191 -3.7191 -0.3496 -0.3496 0.8896 0.8896 2.2280 2.2280 4.8724 4.8724 11.1654 11.1654 12.5869 12.5869 12.8607 12.8607 k = 0.0086 0.0100 0.7211 ( 3246 PWs) bands (ev): -47.2427 -47.2427 -21.9968 -21.9968 -19.3281 -19.3275 -19.1636 -19.1628 -19.1127 -19.1126 -17.4106 -17.4105 -7.4440 -7.4439 -4.7224 -4.7222 -4.2503 -4.2500 -3.7193 -3.7192 -0.3494 -0.3492 0.8896 0.8896 2.2280 2.2280 4.8722 4.8725 11.1661 11.1663 12.5871 12.5873 12.8590 12.8595 k = 0.0172 0.0200 0.7211 ( 3244 PWs) bands (ev): -47.2427 -47.2427 -21.9969 -21.9969 -19.3284 -19.3271 -19.1639 -19.1624 -19.1127 -19.1125 -17.4106 -17.4105 -7.4442 -7.4442 -4.7231 -4.7227 -4.2497 -4.2492 -3.7199 -3.7197 -0.3485 -0.3482 0.8897 0.8898 2.2281 2.2281 4.8720 4.8726 11.1684 11.1689 12.5878 12.5884 12.8546 12.8556 k = 0.0259 0.0301 0.7211 ( 3246 PWs) bands (ev): -47.2427 -47.2427 -21.9970 -21.9970 -19.3286 -19.3268 -19.1643 -19.1619 -19.1126 -19.1123 -17.4107 -17.4105 -7.4446 -7.4445 -4.7242 -4.7236 -4.2488 -4.2480 -3.7208 -3.7204 -0.3469 -0.3465 0.8898 0.8899 2.2282 2.2282 4.8718 4.8726 11.1725 11.1732 12.5892 12.5900 12.8473 12.8488 k = 0.0345 0.0401 0.7211 ( 3246 PWs) bands (ev): -47.2427 -47.2427 -21.9972 -21.9972 -19.3288 -19.3264 -19.1646 -19.1615 -19.1125 -19.1120 -17.4108 -17.4105 -7.4451 -7.4450 -4.7257 -4.7250 -4.2475 -4.2464 -3.7219 -3.7215 -0.3448 -0.3442 0.8899 0.8902 2.2284 2.2284 4.8716 4.8726 11.1781 11.1791 12.5911 12.5923 12.8373 12.8393 k = 0.0431 0.0501 0.7211 ( 3250 PWs) bands (ev): -47.2427 -47.2427 -21.9974 -21.9974 -19.3290 -19.3260 -19.1650 -19.1610 -19.1123 -19.1117 -17.4109 -17.4105 -7.4457 -7.4457 -4.7276 -4.7267 -4.2458 -4.2445 -3.7234 -3.7228 -0.3421 -0.3413 0.8902 0.8904 2.2286 2.2286 4.8713 4.8726 11.1854 11.1866 12.5936 12.5951 12.8248 12.8272 k = 0.0517 0.0601 0.7211 ( 3250 PWs) bands (ev): -47.2427 -47.2427 -21.9976 -21.9976 -19.3292 -19.3256 -19.1653 -19.1606 -19.1120 -19.1114 -17.4110 -17.4105 -7.4465 -7.4464 -4.7298 -4.7287 -4.2438 -4.2422 -3.7252 -3.7245 -0.3388 -0.3379 0.8905 0.8908 2.2289 2.2289 4.8710 4.8725 11.1942 11.1956 12.5967 12.5984 12.8097 12.8125 k = 0.0603 0.0702 0.7211 ( 3254 PWs) bands (ev): -47.2427 -47.2427 -21.9979 -21.9979 -19.3294 -19.3252 -19.1656 -19.1601 -19.1118 -19.1110 -17.4111 -17.4106 -7.4474 -7.4473 -4.7323 -4.7310 -4.2414 -4.2396 -3.7272 -3.7264 -0.3350 -0.3339 0.8908 0.8911 2.2292 2.2292 4.8707 4.8724 11.2047 11.2063 12.6003 12.6023 12.7922 12.7955 k = 0.0690 0.0802 0.7211 ( 3250 PWs) bands (ev): -47.2427 -47.2427 -21.9982 -21.9982 -19.3295 -19.3247 -19.1658 -19.1596 -19.1114 -19.1105 -17.4112 -17.4106 -7.4484 -7.4483 -4.7350 -4.7336 -4.2387 -4.2367 -3.7294 -3.7285 -0.3307 -0.3295 0.8911 0.8916 2.2296 2.2296 4.8703 4.8723 11.2166 11.2184 12.6044 12.6067 12.7725 12.7762 k = 0.0776 0.0902 0.7211 ( 3244 PWs) bands (ev): -47.2427 -47.2427 -21.9986 -21.9986 -19.3295 -19.3242 -19.1661 -19.1591 -19.1110 -19.1100 -17.4113 -17.4107 -7.4495 -7.4493 -4.7380 -4.7365 -4.2359 -4.2336 -3.7318 -3.7308 -0.3260 -0.3247 0.8916 0.8920 2.2300 2.2300 4.8699 4.8722 11.2300 11.2320 12.6090 12.6116 12.7507 12.7547 k = 0.0862 0.1002 0.7211 ( 3242 PWs) bands (ev): -47.2427 -47.2427 -21.9989 -21.9989 -19.3296 -19.3237 -19.1663 -19.1586 -19.1105 -19.1094 -17.4114 -17.4107 -7.4507 -7.4505 -4.7412 -4.7395 -4.2328 -4.2304 -3.7344 -3.7333 -0.3210 -0.3195 0.8920 0.8925 2.2304 2.2305 4.8695 4.8720 11.2448 11.2470 12.6140 12.6169 12.7270 12.7314 k = 0.0948 0.1102 0.7211 ( 3242 PWs) bands (ev): -47.2427 -47.2427 -21.9993 -21.9993 -19.3297 -19.3232 -19.1665 -19.1581 -19.1101 -19.1089 -17.4115 -17.4108 -7.4519 -7.4517 -4.7444 -4.7427 -4.2296 -4.2270 -3.7371 -3.7359 -0.3157 -0.3140 0.8925 0.8931 2.2309 2.2309 4.8691 4.8718 11.2609 11.2634 12.6195 12.6226 12.7016 12.7063 k = 0.1034 0.1203 0.7211 ( 3244 PWs) bands (ev): -47.2427 -47.2427 -21.9997 -21.9997 -19.3297 -19.3228 -19.1668 -19.1577 -19.1096 -19.1083 -17.4117 -17.4108 -7.4532 -7.4530 -4.7478 -4.7459 -4.2262 -4.2234 -3.7400 -3.7387 -0.3101 -0.3084 0.8930 0.8936 2.2314 2.2314 4.8687 4.8716 11.2783 11.2810 12.6252 12.6286 12.6747 12.6796 k = 0.1121 0.1303 0.7211 ( 3244 PWs) bands (ev): -47.2427 -47.2427 -22.0002 -22.0002 -19.3297 -19.3223 -19.1670 -19.1572 -19.1091 -19.1077 -17.4118 -17.4109 -7.4546 -7.4544 -4.7513 -4.7493 -4.2228 -4.2199 -3.7429 -3.7415 -0.3044 -0.3026 0.8935 0.8941 2.2319 2.2320 4.8683 4.8714 11.2968 11.2997 12.6312 12.6349 12.6465 12.6517 k = 0.1207 0.1403 0.7211 ( 3244 PWs) bands (ev): -47.2427 -47.2427 -22.0006 -22.0006 -19.3297 -19.3218 -19.1671 -19.1567 -19.1086 -19.1071 -17.4120 -17.4110 -7.4560 -7.4557 -4.7547 -4.7526 -4.2194 -4.2163 -3.7458 -3.7444 -0.2986 -0.2966 0.8940 0.8947 2.2325 2.2325 4.8679 4.8712 11.3165 11.3196 12.6170 12.6226 12.6377 12.6414 k = 0.1293 0.1503 0.7211 ( 3248 PWs) bands (ev): -47.2427 -47.2427 -22.0010 -22.0010 -19.3297 -19.3214 -19.1673 -19.1563 -19.1082 -19.1065 -17.4121 -17.4111 -7.4573 -7.4571 -4.7581 -4.7560 -4.2160 -4.2128 -3.7488 -3.7473 -0.2928 -0.2907 0.8945 0.8953 2.2330 2.2330 4.8675 4.8709 11.3370 11.3403 12.5869 12.5926 12.6441 12.6481 k = 0.1379 0.1604 0.7211 ( 3244 PWs) bands (ev): -47.2427 -47.2427 -22.0015 -22.0015 -19.3297 -19.3209 -19.1675 -19.1559 -19.1076 -19.1059 -17.4122 -17.4112 -7.4587 -7.4584 -4.7615 -4.7592 -4.2126 -4.2093 -3.7517 -3.7501 -0.2870 -0.2848 0.8951 0.8959 2.2335 2.2336 4.8671 4.8707 11.3584 11.3618 12.5561 12.5620 12.6507 12.6549 k = 0.1466 0.1704 0.7211 ( 3244 PWs) bands (ev): -47.2427 -47.2427 -22.0019 -22.0019 -19.3297 -19.3205 -19.1676 -19.1555 -19.1071 -19.1053 -17.4123 -17.4112 -7.4601 -7.4598 -4.7647 -4.7624 -4.2094 -4.2059 -3.7546 -3.7529 -0.2813 -0.2791 0.8956 0.8964 2.2341 2.2341 4.8667 4.8705 11.3804 11.3840 12.5250 12.5310 12.6573 12.6617 k = 0.1552 0.1804 0.7211 ( 3242 PWs) bands (ev): -47.2427 -47.2427 -22.0023 -22.0023 -19.3296 -19.3201 -19.1678 -19.1551 -19.1066 -19.1046 -17.4125 -17.4113 -7.4614 -7.4611 -4.7678 -4.7654 -4.2063 -4.2027 -3.7573 -3.7556 -0.2759 -0.2735 0.8961 0.8970 2.2346 2.2346 4.8663 4.8702 11.4028 11.4066 12.4938 12.5000 12.6638 12.6685 k = 0.1638 0.1904 0.7211 ( 3242 PWs) bands (ev): -47.2427 -47.2427 -22.0027 -22.0027 -19.3296 -19.3197 -19.1679 -19.1548 -19.1061 -19.1040 -17.4126 -17.4114 -7.4626 -7.4623 -4.7708 -4.7683 -4.2033 -4.1996 -3.7599 -3.7581 -0.2706 -0.2682 0.8966 0.8975 2.2351 2.2352 4.8659 4.8700 11.4255 11.4294 12.4629 12.4691 12.6703 12.6751 k = 0.1724 0.2005 0.7211 ( 3246 PWs) bands (ev): -47.2427 -47.2427 -22.0030 -22.0030 -19.3296 -19.3194 -19.1681 -19.1545 -19.1056 -19.1035 -17.4127 -17.4115 -7.4638 -7.4635 -4.7735 -4.7710 -4.2006 -4.1968 -3.7624 -3.7606 -0.2657 -0.2632 0.8971 0.8980 2.2357 2.2357 4.8656 4.8698 11.4481 11.4521 12.4326 12.4389 12.6765 12.6815 k = 0.1810 0.2105 0.7211 ( 3248 PWs) bands (ev): -47.2427 -47.2427 -22.0034 -22.0034 -19.3296 -19.3190 -19.1682 -19.1542 -19.1052 -19.1030 -17.4128 -17.4115 -7.4649 -7.4646 -4.7761 -4.7736 -4.1980 -4.1942 -3.7647 -3.7628 -0.2612 -0.2586 0.8975 0.8984 2.2361 2.2362 4.8652 4.8696 11.4703 11.4745 12.4032 12.4097 12.6823 12.6875 k = 0.1897 0.2205 0.7211 ( 3250 PWs) bands (ev): -47.2427 -47.2427 -22.0037 -22.0037 -19.3296 -19.3187 -19.1683 -19.1540 -19.1048 -19.1025 -17.4129 -17.4116 -7.4659 -7.4656 -4.7784 -4.7758 -4.1957 -4.1918 -3.7668 -3.7649 -0.2570 -0.2544 0.8979 0.8988 2.2366 2.2366 4.8650 4.8694 11.4917 11.4961 12.3754 12.3819 12.6878 12.6931 k = 0.1983 0.2305 0.7211 ( 3250 PWs) bands (ev): -47.2427 -47.2427 -22.0040 -22.0040 -19.3295 -19.3185 -19.1684 -19.1537 -19.1045 -19.1021 -17.4130 -17.4117 -7.4668 -7.4665 -4.7804 -4.7778 -4.1937 -4.1897 -3.7686 -3.7667 -0.2533 -0.2506 0.8982 0.8992 2.2370 2.2370 4.8647 4.8692 11.5120 11.5164 12.3494 12.3560 12.6928 12.6982 k = 0.2069 0.2405 0.7211 ( 3250 PWs) bands (ev): -47.2427 -47.2427 -22.0042 -22.0042 -19.3295 -19.3183 -19.1685 -19.1535 -19.1041 -19.1018 -17.4130 -17.4117 -7.4676 -7.4672 -4.7821 -4.7795 -4.1919 -4.1879 -3.7702 -3.7683 -0.2501 -0.2473 0.8985 0.8995 2.2373 2.2374 4.8645 4.8690 11.5306 11.5351 12.3259 12.3325 12.6971 12.7027 k = 0.2155 0.2506 0.7211 ( 3250 PWs) bands (ev): -47.2427 -47.2427 -22.0044 -22.0044 -19.3295 -19.3181 -19.1685 -19.1534 -19.1039 -19.1015 -17.4131 -17.4117 -7.4682 -7.4679 -4.7836 -4.7809 -4.1904 -4.1864 -3.7716 -3.7696 -0.2474 -0.2446 0.8988 0.8998 2.2376 2.2377 4.8643 4.8689 11.5469 11.5516 12.3055 12.3121 12.7009 12.7065 k = 0.2241 0.2606 0.7211 ( 3254 PWs) bands (ev): -47.2427 -47.2427 -22.0046 -22.0046 -19.3295 -19.3179 -19.1686 -19.1533 -19.1037 -19.1013 -17.4131 -17.4118 -7.4687 -7.4684 -4.7847 -4.7821 -4.1893 -4.1852 -3.7726 -3.7706 -0.2453 -0.2425 0.8990 0.9000 2.2378 2.2378 4.8641 4.8688 11.5605 11.5652 12.2888 12.2954 12.7038 12.7096 k = 0.2328 0.2706 0.7211 ( 3252 PWs) bands (ev): -47.2427 -47.2427 -22.0047 -22.0047 -19.3295 -19.3178 -19.1686 -19.1532 -19.1036 -19.1011 -17.4132 -17.4118 -7.4691 -7.4687 -4.7855 -4.7829 -4.1885 -4.1844 -3.7734 -3.7713 -0.2438 -0.2409 0.8991 0.9001 2.2380 2.2380 4.8640 4.8687 11.5707 11.5754 12.2763 12.2830 12.7060 12.7118 k = 0.2414 0.2806 0.7211 ( 3250 PWs) bands (ev): -47.2427 -47.2427 -22.0048 -22.0048 -19.3295 -19.3178 -19.1686 -19.1531 -19.1034 -19.1010 -17.4132 -17.4118 -7.4693 -7.4690 -4.7860 -4.7834 -4.1880 -4.1839 -3.7738 -3.7718 -0.2428 -0.2400 0.8992 0.9002 2.2381 2.2381 4.8640 4.8687 11.5770 11.5817 12.2686 12.2753 12.7073 12.7131 k = 0.2500 0.2907 0.7211 ( 3248 PWs) bands (ev): -47.2427 -47.2427 -22.0048 -22.0048 -19.3294 -19.3177 -19.1686 -19.1531 -19.1034 -19.1009 -17.4132 -17.4118 -7.4694 -7.4690 -4.7862 -4.7835 -4.1878 -4.1837 -3.7740 -3.7719 -0.2425 -0.2397 0.8993 0.9003 2.2381 2.2381 4.8639 4.8687 11.5791 11.5839 12.2660 12.2727 12.7078 12.7136 k = 0.2500 0.2907 0.7211 ( 3248 PWs) bands (ev): -47.2427 -47.2427 -22.0048 -22.0048 -19.3294 -19.3177 -19.1686 -19.1531 -19.1034 -19.1009 -17.4132 -17.4118 -7.4694 -7.4690 -4.7862 -4.7835 -4.1878 -4.1837 -3.7740 -3.7719 -0.2425 -0.2397 0.8993 0.9003 2.2381 2.2381 4.8639 4.8687 11.5791 11.5839 12.2660 12.2727 12.7078 12.7136 k = 0.2417 0.2978 0.7140 ( 3244 PWs) bands (ev): -47.2427 -47.2427 -22.0048 -22.0048 -19.3293 -19.3176 -19.1685 -19.1530 -19.1034 -19.1009 -17.4133 -17.4119 -7.4698 -7.4695 -4.7855 -4.7828 -4.1885 -4.1843 -3.7737 -3.7717 -0.2425 -0.2396 0.9004 0.9014 2.2379 2.2379 4.8638 4.8685 11.5786 11.5833 12.2537 12.2600 12.7213 12.7267 k = 0.2333 0.3050 0.7068 ( 3250 PWs) bands (ev): -47.2427 -47.2427 -22.0050 -22.0050 -19.3291 -19.3174 -19.1684 -19.1529 -19.1034 -19.1009 -17.4135 -17.4122 -7.4712 -7.4708 -4.7834 -4.7807 -4.1905 -4.1863 -3.7731 -3.7710 -0.2423 -0.2395 0.9036 0.9046 2.2372 2.2373 4.8633 4.8680 11.5769 11.5817 12.2203 12.2258 12.7579 12.7623 k = 0.2250 0.3122 0.6997 ( 3252 PWs) bands (ev): -47.2427 -47.2427 -22.0052 -22.0052 -19.3287 -19.3171 -19.1680 -19.1526 -19.1034 -19.1009 -17.4140 -17.4126 -7.4734 -7.4731 -4.7799 -4.7773 -4.1937 -4.1895 -3.7720 -3.7698 -0.2420 -0.2393 0.9090 0.9100 2.2362 2.2363 4.8625 4.8672 11.5742 11.5789 12.1733 12.1778 12.8096 12.8130 k = 0.2167 0.3193 0.6925 ( 3256 PWs) bands (ev): -47.2427 -47.2427 -22.0055 -22.0054 -19.3281 -19.3166 -19.1675 -19.1523 -19.1034 -19.1009 -17.4145 -17.4132 -7.4765 -7.4762 -4.7752 -4.7725 -4.1981 -4.1939 -3.7706 -3.7683 -0.2416 -0.2389 0.9165 0.9175 2.2347 2.2349 4.8615 4.8661 11.5703 11.5750 12.1185 12.1223 12.8701 12.8725 k = 0.2083 0.3265 0.6854 ( 3252 PWs) bands (ev): -47.2427 -47.2427 -22.0058 -22.0058 -19.3274 -19.3160 -19.1669 -19.1518 -19.1033 -19.1008 -17.4153 -17.4139 -7.4804 -7.4801 -4.7692 -4.7664 -4.2036 -4.1993 -3.7690 -3.7666 -0.2411 -0.2384 0.9259 0.9269 2.2329 2.2331 4.8601 4.8648 11.5653 11.5700 12.0599 12.0631 12.9350 12.9365 k = 0.2000 0.3337 0.6782 ( 3248 PWs) bands (ev): -47.2427 -47.2427 -22.0062 -22.0062 -19.3265 -19.3153 -19.1661 -19.1512 -19.1032 -19.1007 -17.4162 -17.4149 -7.4851 -7.4848 -4.7620 -4.7592 -4.2100 -4.2056 -3.7673 -3.7647 -0.2403 -0.2378 0.9372 0.9382 2.2307 2.2309 4.8585 4.8630 11.5593 11.5639 11.9995 12.0023 13.0014 13.0024 k = 0.1917 0.3408 0.6710 ( 3240 PWs) bands (ev): -47.2427 -47.2427 -22.0067 -22.0067 -19.3254 -19.3144 -19.1652 -19.1504 -19.1031 -19.1006 -17.4172 -17.4159 -7.4905 -7.4901 -4.7537 -4.7509 -4.2170 -4.2126 -3.7655 -3.7628 -0.2394 -0.2370 0.9503 0.9512 2.2281 2.2284 4.8566 4.8611 11.5521 11.5567 11.9388 11.9412 13.0670 13.0681 k = 0.1833 0.3480 0.6639 ( 3244 PWs) bands (ev): -47.2427 -47.2427 -22.0073 -22.0073 -19.3243 -19.3135 -19.1642 -19.1497 -19.1031 -19.1005 -17.4184 -17.4171 -7.4965 -7.4962 -4.7444 -4.7416 -4.2246 -4.2201 -3.7638 -3.7610 -0.2383 -0.2360 0.9649 0.9658 2.2253 2.2256 4.8544 4.8588 11.5438 11.5484 11.8786 11.8809 13.1299 13.1317 k = 0.1750 0.3552 0.6567 ( 3248 PWs) bands (ev): -47.2427 -47.2427 -22.0079 -22.0079 -19.3231 -19.3126 -19.1631 -19.1489 -19.1030 -19.1005 -17.4197 -17.4184 -7.5031 -7.5027 -4.7343 -4.7315 -4.2326 -4.2280 -3.7623 -3.7594 -0.2370 -0.2348 0.9808 0.9818 2.2221 2.2225 4.8520 4.8563 11.5342 11.5388 11.8198 11.8218 13.1883 13.1909 k = 0.1667 0.3623 0.6496 ( 3242 PWs) bands (ev): -47.2427 -47.2427 -22.0086 -22.0086 -19.3218 -19.3115 -19.1618 -19.1480 -19.1028 -19.1003 -17.4210 -17.4198 -7.5101 -7.5098 -4.7235 -4.7206 -4.2408 -4.2361 -3.7611 -3.7582 -0.2355 -0.2334 0.9981 0.9991 2.2187 2.2192 4.8493 4.8536 11.5232 11.5278 11.7627 11.7646 13.2404 13.2438 k = 0.1583 0.3695 0.6424 ( 3234 PWs) bands (ev): -47.2427 -47.2427 -22.0093 -22.0093 -19.3203 -19.3104 -19.1604 -19.1470 -19.1027 -19.1002 -17.4225 -17.4213 -7.5175 -7.5172 -4.7121 -4.7092 -4.2489 -4.2442 -3.7603 -3.7572 -0.2337 -0.2317 1.0163 1.0173 2.2152 2.2157 4.8465 4.8507 11.5105 11.5151 11.7082 11.7101 13.2844 13.2885 k = 0.1500 0.3767 0.6353 ( 3236 PWs) bands (ev): -47.2427 -47.2427 -22.0100 -22.0100 -19.3189 -19.3093 -19.1590 -19.1460 -19.1025 -19.1000 -17.4240 -17.4229 -7.5253 -7.5250 -4.7003 -4.6974 -4.2569 -4.2521 -3.7599 -3.7568 -0.2317 -0.2298 1.0354 1.0364 2.2114 2.2119 4.8435 4.8475 11.4955 11.5000 11.6572 11.6590 13.3190 13.3237 k = 0.1417 0.3838 0.6281 ( 3238 PWs) bands (ev): -47.2427 -47.2427 -22.0108 -22.0108 -19.3174 -19.3082 -19.1575 -19.1449 -19.1024 -19.0999 -17.4256 -17.4245 -7.5332 -7.5330 -4.6884 -4.6853 -4.2645 -4.2596 -3.7600 -3.7568 -0.2295 -0.2277 1.0551 1.0561 2.2075 2.2080 4.8403 4.8442 11.4771 11.4815 11.6110 11.6128 13.3439 13.3488 k = 0.1333 0.3910 0.6209 ( 3242 PWs) bands (ev): -47.2427 -47.2427 -22.0116 -22.0116 -19.3159 -19.3071 -19.1560 -19.1439 -19.1022 -19.0998 -17.4273 -17.4262 -7.5413 -7.5411 -4.6763 -4.6733 -4.2716 -4.2667 -3.7606 -3.7574 -0.2271 -0.2255 1.0751 1.0761 2.2035 2.2041 4.8371 4.8408 11.4539 11.4580 11.5715 11.5732 13.3594 13.3643 k = 0.1250 0.3982 0.6138 ( 3240 PWs) bands (ev): -47.2427 -47.2427 -22.0124 -22.0124 -19.3144 -19.3060 -19.1544 -19.1428 -19.1020 -19.0996 -17.4289 -17.4279 -7.5494 -7.5492 -4.6645 -4.6614 -4.2780 -4.2731 -3.7617 -3.7586 -0.2245 -0.2230 1.0954 1.0964 2.1995 2.2000 4.8337 4.8373 11.4248 11.4284 11.5399 11.5415 13.3668 13.3716 k = 0.1167 0.4053 0.6066 ( 3240 PWs) bands (ev): -47.2427 -47.2427 -22.0132 -22.0132 -19.3129 -19.3049 -19.1527 -19.1417 -19.1018 -19.0994 -17.4306 -17.4297 -7.5575 -7.5573 -4.6530 -4.6499 -4.2836 -4.2786 -3.7634 -3.7603 -0.2218 -0.2204 1.1157 1.1167 2.1954 2.1960 4.8303 4.8337 11.3907 11.3937 11.5155 11.5170 13.3677 13.3722 k = 0.1083 0.4125 0.5995 ( 3236 PWs) bands (ev): -47.2427 -47.2427 -22.0139 -22.0139 -19.3114 -19.3039 -19.1510 -19.1406 -19.1015 -19.0992 -17.4323 -17.4314 -7.5654 -7.5652 -4.6420 -4.6389 -4.2882 -4.2833 -3.7655 -3.7625 -0.2189 -0.2176 1.1357 1.1367 2.1914 2.1920 4.8269 4.8302 11.3539 11.3564 11.4963 11.4978 13.3636 13.3677 k = 0.1000 0.4197 0.5923 ( 3240 PWs) bands (ev): -47.2427 -47.2427 -22.0147 -22.0147 -19.3099 -19.3029 -19.1494 -19.1396 -19.1012 -19.0991 -17.4339 -17.4331 -7.5731 -7.5729 -4.6317 -4.6286 -4.2919 -4.2870 -3.7682 -3.7652 -0.2160 -0.2149 1.1552 1.1562 2.1875 2.1881 4.8236 4.8266 11.3166 11.3186 11.4803 11.4819 13.3559 13.3596 k = 0.0917 0.4268 0.5852 ( 3240 PWs) bands (ev): -47.2427 -47.2427 -22.0154 -22.0154 -19.3085 -19.3021 -19.1478 -19.1387 -19.1010 -19.0989 -17.4355 -17.4347 -7.5805 -7.5803 -4.6222 -4.6192 -4.2944 -4.2896 -3.7712 -3.7682 -0.2131 -0.2121 1.1741 1.1751 2.1838 2.1843 4.8203 4.8231 11.2801 11.2818 11.4665 11.4680 13.3457 13.3491 k = 0.0833 0.4340 0.5780 ( 3240 PWs) bands (ev): -47.2427 -47.2427 -22.0161 -22.0161 -19.3072 -19.3013 -19.1462 -19.1378 -19.1007 -19.0987 -17.4370 -17.4362 -7.5875 -7.5874 -4.6137 -4.6108 -4.2959 -4.2913 -3.7745 -3.7717 -0.2102 -0.2093 1.1922 1.1931 2.1801 2.1807 4.8171 4.8197 11.2453 11.2468 11.4542 11.4556 13.3341 13.3371 k = 0.0750 0.4412 0.5708 ( 3238 PWs) bands (ev): -47.2427 -47.2427 -22.0168 -22.0168 -19.3059 -19.3005 -19.1446 -19.1370 -19.1004 -19.0985 -17.4384 -17.4377 -7.5941 -7.5939 -4.6062 -4.6035 -4.2963 -4.2919 -3.7780 -3.7754 -0.2074 -0.2065 1.2092 1.2100 2.1767 2.1773 4.8141 4.8165 11.2129 11.2142 11.4431 11.4444 13.3219 13.3245 k = 0.0667 0.4483 0.5637 ( 3236 PWs) bands (ev): -47.2427 -47.2427 -22.0174 -22.0174 -19.3047 -19.2999 -19.1431 -19.1363 -19.1001 -19.0984 -17.4397 -17.4391 -7.6001 -7.6000 -4.5997 -4.5972 -4.2958 -4.2917 -3.7816 -3.7792 -0.2047 -0.2039 1.2249 1.2257 2.1736 2.1741 4.8113 4.8135 11.1831 11.1843 11.4331 11.4343 13.3095 13.3118 k = 0.0583 0.4555 0.5565 ( 3236 PWs) bands (ev): -47.2427 -47.2427 -22.0180 -22.0180 -19.3036 -19.2994 -19.1417 -19.1357 -19.0997 -19.0982 -17.4409 -17.4403 -7.6056 -7.6055 -4.5943 -4.5920 -4.2945 -4.2907 -3.7853 -3.7830 -0.2022 -0.2015 1.2393 1.2400 2.1707 2.1712 4.8087 4.8106 11.1564 11.1573 11.4242 11.4253 13.2976 13.2996 k = 0.0500 0.4627 0.5494 ( 3234 PWs) bands (ev): -47.2427 -47.2427 -22.0185 -22.0185 -19.3026 -19.2989 -19.1404 -19.1352 -19.0994 -19.0981 -17.4419 -17.4415 -7.6105 -7.6104 -4.5898 -4.5878 -4.2926 -4.2893 -3.7887 -3.7867 -0.1999 -0.1993 1.2521 1.2527 2.1681 2.1685 4.8064 4.8081 11.1328 11.1336 11.4164 11.4174 13.2866 13.2883 k = 0.0417 0.4698 0.5422 ( 3240 PWs) bands (ev): -47.2427 -47.2427 -22.0189 -22.0189 -19.3017 -19.2986 -19.1393 -19.1349 -19.0992 -19.0980 -17.4428 -17.4425 -7.6147 -7.6146 -4.5863 -4.5846 -4.2904 -4.2876 -3.7920 -3.7902 -0.1978 -0.1974 1.2631 1.2637 2.1659 2.1663 4.8044 4.8058 11.1125 11.1132 11.4097 11.4105 13.2768 13.2781 k = 0.0333 0.4770 0.5351 ( 3240 PWs) bands (ev): -47.2427 -47.2427 -22.0192 -22.0192 -19.3009 -19.2984 -19.1382 -19.1347 -19.0989 -19.0980 -17.4436 -17.4433 -7.6182 -7.6181 -4.5835 -4.5821 -4.2881 -4.2858 -3.7948 -3.7933 -0.1961 -0.1958 1.2724 1.2728 2.1641 2.1644 4.8028 4.8039 11.0958 11.0963 11.4042 11.4048 13.2684 13.2695 k = 0.0250 0.4842 0.5279 ( 3240 PWs) bands (ev): -47.2427 -47.2427 -22.0195 -22.0195 -19.3002 -19.2984 -19.1373 -19.1346 -19.0986 -19.0979 -17.4442 -17.4440 -7.6209 -7.6208 -4.5814 -4.5803 -4.2860 -4.2842 -3.7971 -3.7960 -0.1947 -0.1945 1.2797 1.2800 2.1627 2.1629 4.8015 4.8024 11.0826 11.0830 11.3998 11.4003 13.2617 13.2626 k = 0.0167 0.4914 0.5207 ( 3234 PWs) bands (ev): -47.2427 -47.2427 -22.0197 -22.0197 -19.2996 -19.2983 -19.1364 -19.1347 -19.0984 -19.0979 -17.4446 -17.4444 -7.6229 -7.6228 -4.5799 -4.5792 -4.2842 -4.2830 -3.7987 -3.7980 -0.1937 -0.1935 1.2850 1.2852 2.1616 2.1618 4.8007 4.8012 11.0732 11.0735 11.3967 11.3971 13.2569 13.2574 k = 0.0083 0.4985 0.5136 ( 3236 PWs) bands (ev): -47.2427 -47.2427 -22.0198 -22.0198 -19.2991 -19.2985 -19.1358 -19.1349 -19.0982 -19.0980 -17.4448 -17.4447 -7.6240 -7.6240 -4.5790 -4.5786 -4.2830 -4.2824 -3.7997 -3.7993 -0.1931 -0.1930 1.2882 1.2884 2.1610 2.1611 4.8002 4.8005 11.0676 11.0677 11.3949 11.3951 13.2540 13.2543 k = 0.0000 0.5057 0.5064 ( 3240 PWs) bands (ev): -47.2427 -47.2427 -22.0199 -22.0199 -19.2988 -19.2988 -19.1353 -19.1353 -19.0981 -19.0981 -17.4449 -17.4449 -7.6244 -7.6244 -4.5786 -4.5786 -4.2823 -4.2823 -3.7999 -3.7999 -0.1928 -0.1928 1.2893 1.2893 2.1609 2.1609 4.8001 4.8001 11.0657 11.0657 11.3944 11.3944 13.2531 13.2531 k = 0.0000 0.5057 0.5064 ( 3240 PWs) bands (ev): -47.2427 -47.2427 -22.0199 -22.0199 -19.2988 -19.2988 -19.1353 -19.1353 -19.0981 -19.0981 -17.4449 -17.4449 -7.6244 -7.6244 -4.5786 -4.5786 -4.2823 -4.2823 -3.7999 -3.7999 -0.1928 -0.1928 1.2893 1.2893 2.1609 2.1609 4.8001 4.8001 11.0657 11.0657 11.3944 11.3944 13.2531 13.2531 k = 0.0103 0.5117 0.5004 ( 3238 PWs) bands (ev): -47.2427 -47.2427 -22.0199 -22.0198 -19.2990 -19.2986 -19.1353 -19.1353 -19.0983 -19.0980 -17.4449 -17.4449 -7.6246 -7.6246 -4.5785 -4.5783 -4.2822 -4.2822 -3.8000 -3.7997 -0.1926 -0.1924 1.2894 1.2895 2.1607 2.1607 4.8003 4.8004 11.0662 11.0663 11.3947 11.3948 13.2521 13.2523 k = 0.0206 0.5177 0.4944 ( 3241 PWs) bands (ev): -47.2427 -47.2427 -22.0197 -22.0197 -19.2992 -19.2985 -19.1354 -19.1353 -19.0985 -19.0980 -17.4450 -17.4450 -7.6251 -7.6250 -4.5782 -4.5779 -4.2818 -4.2818 -3.8000 -3.7995 -0.1916 -0.1914 1.2896 1.2898 2.1602 2.1602 4.8008 4.8010 11.0678 11.0680 11.3958 11.3961 13.2492 13.2495 k = 0.0309 0.5237 0.4884 ( 3241 PWs) bands (ev): -47.2427 -47.2427 -22.0196 -22.0195 -19.2995 -19.2984 -19.1356 -19.1354 -19.0989 -19.0980 -17.4451 -17.4451 -7.6259 -7.6258 -4.5777 -4.5771 -4.2812 -4.2811 -3.8000 -3.7992 -0.1900 -0.1896 1.2899 1.2903 2.1594 2.1595 4.8018 4.8020 11.0705 11.0707 11.3978 11.3982 13.2443 13.2448 k = 0.0412 0.5297 0.4825 ( 3237 PWs) bands (ev): -47.2427 -47.2427 -22.0193 -22.0192 -19.2998 -19.2983 -19.1357 -19.1354 -19.0992 -19.0981 -17.4452 -17.4452 -7.6269 -7.6268 -4.5769 -4.5761 -4.2802 -4.2801 -3.7999 -3.7989 -0.1877 -0.1873 1.2905 1.2910 2.1583 2.1584 4.8032 4.8035 11.0742 11.0745 11.4005 11.4010 13.2376 13.2382 k = 0.0516 0.5357 0.4765 ( 3242 PWs) bands (ev): -47.2427 -47.2427 -22.0189 -22.0188 -19.3002 -19.2983 -19.1359 -19.1356 -19.0997 -19.0983 -17.4454 -17.4454 -7.6283 -7.6281 -4.5758 -4.5748 -4.2791 -4.2790 -3.7998 -3.7985 -0.1848 -0.1842 1.2912 1.2918 2.1568 2.1570 4.8050 4.8054 11.0790 11.0793 11.4040 11.4047 13.2289 13.2297 k = 0.0619 0.5417 0.4705 ( 3239 PWs) bands (ev): -47.2427 -47.2427 -22.0185 -22.0184 -19.3005 -19.2984 -19.1361 -19.1357 -19.1002 -19.0985 -17.4457 -17.4457 -7.6300 -7.6298 -4.5744 -4.5732 -4.2776 -4.2775 -3.7997 -3.7981 -0.1812 -0.1805 1.2921 1.2928 2.1552 2.1554 4.8072 4.8077 11.0847 11.0851 11.4083 11.4090 13.2184 13.2194 k = 0.0722 0.5477 0.4645 ( 3240 PWs) bands (ev): -47.2427 -47.2427 -22.0180 -22.0179 -19.3010 -19.2984 -19.1364 -19.1359 -19.1008 -19.0989 -17.4459 -17.4459 -7.6320 -7.6317 -4.5727 -4.5714 -4.2760 -4.2758 -3.7995 -3.7977 -0.1771 -0.1763 1.2932 1.2940 2.1533 2.1535 4.8099 4.8104 11.0913 11.0918 11.4133 11.4142 13.2061 13.2072 k = 0.0825 0.5537 0.4585 ( 3238 PWs) bands (ev): -47.2427 -47.2427 -22.0175 -22.0173 -19.3014 -19.2985 -19.1366 -19.1362 -19.1015 -19.0992 -17.4463 -17.4463 -7.6342 -7.6339 -4.5707 -4.5692 -4.2741 -4.2739 -3.7993 -3.7973 -0.1723 -0.1713 1.2944 1.2954 2.1511 2.1514 4.8130 4.8136 11.0988 11.0994 11.4190 11.4200 13.1919 13.1932 k = 0.0928 0.5597 0.4525 ( 3241 PWs) bands (ev): -47.2427 -47.2427 -22.0169 -22.0167 -19.3019 -19.2987 -19.1369 -19.1365 -19.1022 -19.0996 -17.4466 -17.4466 -7.6367 -7.6364 -4.5684 -4.5667 -4.2720 -4.2717 -3.7992 -3.7970 -0.1669 -0.1658 1.2958 1.2969 2.1487 2.1491 4.8166 4.8172 11.1070 11.1077 11.4254 11.4265 13.1759 13.1774 k = 0.1031 0.5657 0.4465 ( 3242 PWs) bands (ev): -47.2427 -47.2427 -22.0162 -22.0160 -19.3024 -19.2989 -19.1372 -19.1368 -19.1030 -19.1001 -17.4470 -17.4470 -7.6395 -7.6392 -4.5658 -4.5640 -4.2696 -4.2694 -3.7992 -3.7967 -0.1609 -0.1597 1.2974 1.2986 2.1462 2.1465 4.8206 4.8213 11.1159 11.1167 11.4324 11.4336 13.1581 13.1598 k = 0.1134 0.5717 0.4405 ( 3244 PWs) bands (ev): -47.2428 -47.2428 -22.0155 -22.0153 -19.3029 -19.2991 -19.1375 -19.1371 -19.1039 -19.1007 -17.4474 -17.4474 -7.6426 -7.6422 -4.5629 -4.5609 -4.2671 -4.2669 -3.7992 -3.7964 -0.1543 -0.1531 1.2992 1.3005 2.1434 2.1439 4.8251 4.8259 11.1254 11.1263 11.4401 11.4414 13.1386 13.1404 k = 0.1237 0.5777 0.4345 ( 3244 PWs) bands (ev): -47.2428 -47.2428 -22.0147 -22.0145 -19.3035 -19.2994 -19.1378 -19.1375 -19.1047 -19.1013 -17.4479 -17.4479 -7.6458 -7.6454 -4.5596 -4.5574 -4.2644 -4.2642 -3.7992 -3.7963 -0.1472 -0.1459 1.3012 1.3026 2.1406 2.1411 4.8302 4.8310 11.1354 11.1363 11.4484 11.4497 13.1173 13.1192 k = 0.1341 0.5837 0.4285 ( 3248 PWs) bands (ev): -47.2428 -47.2428 -22.0139 -22.0136 -19.3041 -19.2997 -19.1382 -19.1379 -19.1057 -19.1019 -17.4484 -17.4483 -7.6494 -7.6489 -4.5560 -4.5537 -4.2616 -4.2613 -3.7994 -3.7963 -0.1397 -0.1382 1.3034 1.3049 2.1378 2.1382 4.8357 4.8366 11.1457 11.1467 11.4572 11.4586 13.0942 13.0964 k = 0.1444 0.5897 0.4225 ( 3254 PWs) bands (ev): -47.2428 -47.2428 -22.0130 -22.0128 -19.3047 -19.3000 -19.1386 -19.1384 -19.1067 -19.1025 -17.4489 -17.4489 -7.6532 -7.6527 -4.5520 -4.5495 -4.2586 -4.2583 -3.7998 -3.7965 -0.1316 -0.1300 1.3057 1.3073 2.1348 2.1353 4.8418 4.8427 11.1562 11.1573 11.4667 11.4681 13.0695 13.0718 k = 0.1547 0.5957 0.4165 ( 3244 PWs) bands (ev): -47.2428 -47.2428 -22.0122 -22.0119 -19.3052 -19.3004 -19.1389 -19.1388 -19.1076 -19.1031 -17.4494 -17.4494 -7.6571 -7.6566 -4.5476 -4.5450 -4.2555 -4.2551 -3.8002 -3.7967 -0.1230 -0.1214 1.3083 1.3100 2.1319 2.1324 4.8484 4.8494 11.1667 11.1679 11.4767 11.4781 13.0430 13.0455 k = 0.1650 0.6017 0.4105 ( 3242 PWs) bands (ev): -47.2428 -47.2428 -22.0113 -22.0110 -19.3058 -19.3007 -19.1393 -19.1393 -19.1085 -19.1037 -17.4499 -17.4499 -7.6613 -7.6608 -4.5429 -4.5402 -4.2522 -4.2519 -3.8008 -3.7971 -0.1141 -0.1123 1.3111 1.3128 2.1289 2.1295 4.8555 4.8566 11.1770 11.1784 11.4873 11.4887 13.0148 13.0174 k = 0.1753 0.6077 0.4045 ( 3242 PWs) bands (ev): -47.2428 -47.2428 -22.0104 -22.0101 -19.3065 -19.3012 -19.1398 -19.1396 -19.1095 -19.1044 -17.4505 -17.4505 -7.6657 -7.6652 -4.5378 -4.5350 -4.2489 -4.2485 -3.8016 -3.7978 -0.1047 -0.1029 1.3140 1.3159 2.1260 2.1266 4.8632 4.8643 11.1870 11.1885 11.4985 11.4999 12.9849 12.9876 k = 0.1856 0.6137 0.3985 ( 3246 PWs) bands (ev): -47.2428 -47.2428 -22.0094 -22.0091 -19.3071 -19.3016 -19.1404 -19.1401 -19.1105 -19.1050 -17.4510 -17.4510 -7.6703 -7.6697 -4.5323 -4.5294 -4.2455 -4.2451 -3.8026 -3.7986 -0.0950 -0.0931 1.3171 1.3191 2.1231 2.1237 4.8714 4.8726 11.1965 11.1981 11.5102 11.5116 12.9533 12.9561 k = 0.1959 0.6197 0.3925 ( 3244 PWs) bands (ev): -47.2428 -47.2428 -22.0085 -22.0082 -19.3077 -19.3021 -19.1410 -19.1404 -19.1115 -19.1057 -17.4516 -17.4516 -7.6750 -7.6744 -4.5264 -4.5234 -4.2421 -4.2417 -3.8037 -3.7996 -0.0850 -0.0830 1.3204 1.3224 2.1203 2.1209 4.8802 4.8814 11.2052 11.2070 11.5227 11.5240 12.9199 12.9228 k = 0.2062 0.6258 0.3865 ( 3244 PWs) bands (ev): -47.2429 -47.2429 -22.0076 -22.0073 -19.3084 -19.3026 -19.1416 -19.1409 -19.1125 -19.1063 -17.4522 -17.4522 -7.6798 -7.6792 -4.5202 -4.5171 -4.2386 -4.2382 -3.8051 -3.8009 -0.0747 -0.0726 1.3239 1.3260 2.1176 2.1183 4.8895 4.8908 11.2130 11.2149 11.5358 11.5370 12.8848 12.8878 k = 0.2166 0.6318 0.3805 ( 3244 PWs) bands (ev): -47.2429 -47.2429 -22.0067 -22.0064 -19.3090 -19.3031 -19.1423 -19.1413 -19.1134 -19.1069 -17.4527 -17.4527 -7.6848 -7.6842 -4.5136 -4.5104 -4.2352 -4.2347 -3.8067 -3.8023 -0.0641 -0.0619 1.3275 1.3297 2.1150 2.1157 4.8995 4.9007 11.2196 11.2217 11.5495 11.5507 12.8479 12.8510 k = 0.2269 0.6378 0.3746 ( 3238 PWs) bands (ev): -47.2429 -47.2429 -22.0058 -22.0055 -19.3096 -19.3036 -19.1429 -19.1416 -19.1143 -19.1074 -17.4533 -17.4533 -7.6900 -7.6893 -4.5066 -4.5033 -4.2317 -4.2313 -3.8084 -3.8040 -0.0532 -0.0510 1.3313 1.3336 2.1126 2.1133 4.9099 4.9113 11.2248 11.2271 11.5640 11.5649 12.8094 12.8125 k = 0.2372 0.6438 0.3686 ( 3237 PWs) bands (ev): -47.2429 -47.2429 -22.0050 -22.0046 -19.3103 -19.3042 -19.1435 -19.1421 -19.1151 -19.1080 -17.4539 -17.4539 -7.6952 -7.6945 -4.4993 -4.4959 -4.2283 -4.2279 -3.8104 -3.8058 -0.0422 -0.0399 1.3352 1.3376 2.1103 2.1110 4.9209 4.9223 11.2285 11.2309 11.5789 11.5798 12.7692 12.7724 k = 0.2475 0.6498 0.3626 ( 3235 PWs) bands (ev): -47.2429 -47.2429 -22.0042 -22.0038 -19.3109 -19.3047 -19.1442 -19.1425 -19.1160 -19.1085 -17.4544 -17.4544 -7.7005 -7.6998 -4.4916 -4.4881 -4.2250 -4.2245 -3.8125 -3.8079 -0.0310 -0.0287 1.3393 1.3417 2.1081 2.1089 4.9324 4.9338 11.2305 11.2331 11.5944 11.5950 12.7276 12.7307 k = 0.2578 0.6558 0.3566 ( 3235 PWs) bands (ev): -47.2429 -47.2429 -22.0034 -22.0031 -19.3115 -19.3053 -19.1449 -19.1429 -19.1167 -19.1090 -17.4550 -17.4550 -7.7058 -7.7051 -4.4835 -4.4800 -4.2217 -4.2212 -3.8149 -3.8102 -0.0198 -0.0173 1.3434 1.3459 2.1062 2.1070 4.9445 4.9459 11.2308 11.2336 11.6101 11.6106 12.6846 12.6877 k = 0.2681 0.6618 0.3506 ( 3233 PWs) bands (ev): -47.2430 -47.2430 -22.0027 -22.0024 -19.3121 -19.3059 -19.1456 -19.1433 -19.1174 -19.1094 -17.4555 -17.4555 -7.7113 -7.7105 -4.4751 -4.4716 -4.2185 -4.2181 -3.8174 -3.8126 -0.0084 -0.0059 1.3476 1.3501 2.1044 2.1052 4.9570 4.9584 11.2292 11.2321 11.6257 11.6260 12.6407 12.6437 k = 0.2784 0.6678 0.3446 ( 3227 PWs) bands (ev): -47.2430 -47.2430 -22.0021 -22.0017 -19.3126 -19.3064 -19.1462 -19.1438 -19.1180 -19.1097 -17.4560 -17.4560 -7.7167 -7.7159 -4.4664 -4.4628 -4.2155 -4.2150 -3.8200 -3.8152 0.0031 0.0056 1.3519 1.3545 2.1027 2.1036 4.9699 4.9714 11.2258 11.2288 11.6408 11.6410 12.5962 12.5992 k = 0.2887 0.6738 0.3386 ( 3223 PWs) bands (ev): -47.2430 -47.2430 -22.0015 -22.0011 -19.3132 -19.3070 -19.1469 -19.1442 -19.1185 -19.1101 -17.4564 -17.4564 -7.7221 -7.7214 -4.4573 -4.4537 -4.2126 -4.2121 -3.8228 -3.8179 0.0145 0.0171 1.3563 1.3589 2.1013 2.1021 4.9833 4.9848 11.2205 11.2236 11.6549 11.6549 12.5518 12.5547 k = 0.2991 0.6798 0.3326 ( 3220 PWs) bands (ev): -47.2430 -47.2430 -22.0010 -22.0006 -19.3137 -19.3075 -19.1475 -19.1447 -19.1189 -19.1103 -17.4569 -17.4569 -7.7276 -7.7268 -4.4480 -4.4443 -4.2098 -4.2094 -3.8256 -3.8208 0.0259 0.0285 1.3606 1.3632 2.1000 2.1008 4.9971 4.9985 11.2135 11.2166 11.6670 11.6670 12.5084 12.5112 k = 0.3094 0.6858 0.3266 ( 3222 PWs) bands (ev): -47.2430 -47.2430 -22.0006 -22.0002 -19.3142 -19.3081 -19.1482 -19.1452 -19.1193 -19.1106 -17.4573 -17.4573 -7.7330 -7.7322 -4.4383 -4.4347 -4.2073 -4.2068 -3.8287 -3.8238 0.0373 0.0399 1.3649 1.3676 2.0988 2.0997 5.0112 5.0127 11.2046 11.2077 11.6761 11.6763 12.4671 12.4697 k = 0.3197 0.6918 0.3206 ( 3220 PWs) bands (ev): -47.2430 -47.2430 -22.0002 -21.9998 -19.3147 -19.3086 -19.1488 -19.1456 -19.1195 -19.1107 -17.4576 -17.4576 -7.7384 -7.7376 -4.4284 -4.4247 -4.2049 -4.2044 -3.8317 -3.8269 0.0486 0.0512 1.3692 1.3718 2.0979 2.0987 5.0256 5.0271 11.1939 11.1970 11.6811 11.6813 12.4294 12.4318 k = 0.3300 0.6978 0.3146 ( 3222 PWs) bands (ev): -47.2431 -47.2431 -22.0000 -21.9996 -19.3151 -19.3092 -19.1495 -19.1461 -19.1197 -19.1109 -17.4580 -17.4579 -7.7437 -7.7429 -4.4182 -4.4146 -4.2028 -4.2023 -3.8349 -3.8300 0.0598 0.0625 1.3733 1.3760 2.0970 2.0979 5.0403 5.0417 11.1815 11.1845 11.6805 11.6807 12.3968 12.3991 k = 0.3403 0.7038 0.3086 ( 3224 PWs) bands (ev): -47.2431 -47.2431 -21.9998 -21.9995 -19.3156 -19.3097 -19.1501 -19.1466 -19.1198 -19.1110 -17.4582 -17.4582 -7.7489 -7.7481 -4.4078 -4.4042 -4.2009 -4.2004 -3.8380 -3.8332 0.0709 0.0735 1.3774 1.3800 2.0962 2.0972 5.0551 5.0566 11.1674 11.1703 11.6728 11.6730 12.3711 12.3733 k = 0.3506 0.7098 0.3026 ( 3228 PWs) bands (ev): -47.2431 -47.2431 -21.9998 -21.9994 -19.3160 -19.3102 -19.1506 -19.1471 -19.1199 -19.1110 -17.4585 -17.4585 -7.7540 -7.7532 -4.3972 -4.3935 -4.1992 -4.1987 -3.8412 -3.8364 0.0818 0.0844 1.3812 1.3839 2.0956 2.0965 5.0701 5.0715 11.1515 11.1543 11.6570 11.6572 12.3469 12.3500 k = 0.3506 0.7098 0.3026 ( 3228 PWs) bands (ev): -47.2431 -47.2431 -21.9998 -21.9994 -19.3160 -19.3102 -19.1506 -19.1471 -19.1199 -19.1110 -17.4585 -17.4585 -7.7540 -7.7532 -4.3972 -4.3935 -4.1992 -4.1987 -3.8412 -3.8364 0.0818 0.0844 1.3812 1.3839 2.0956 2.0965 5.0701 5.0715 11.1515 11.1543 11.6570 11.6572 12.3469 12.3500 k = 0.3561 0.7050 0.2914 ( 3228 PWs) bands (ev): -47.2432 -47.2432 -21.9998 -21.9994 -19.3167 -19.3112 -19.1516 -19.1479 -19.1197 -19.1110 -17.4588 -17.4588 -7.7634 -7.7627 -4.3767 -4.3732 -4.1964 -4.1959 -3.8471 -3.8423 0.1022 0.1048 1.3881 1.3908 2.0944 2.0954 5.0984 5.0998 11.1193 11.1218 11.6178 11.6178 12.2781 12.2820 k = 0.3617 0.7003 0.2802 ( 3228 PWs) bands (ev): -47.2432 -47.2432 -21.9999 -21.9995 -19.3174 -19.3121 -19.1526 -19.1488 -19.1196 -19.1110 -17.4592 -17.4591 -7.7728 -7.7720 -4.3559 -4.3523 -4.1937 -4.1932 -3.8530 -3.8483 0.1229 0.1255 1.3948 1.3974 2.0932 2.0941 5.1270 5.1284 11.0856 11.0878 11.5750 11.5752 12.2104 12.2142 k = 0.3672 0.6955 0.2690 ( 3232 PWs) bands (ev): -47.2433 -47.2433 -22.0000 -21.9996 -19.3182 -19.3132 -19.1536 -19.1497 -19.1194 -19.1109 -17.4594 -17.4594 -7.7820 -7.7812 -4.3346 -4.3311 -4.1912 -4.1907 -3.8589 -3.8543 0.1437 0.1463 1.4012 1.4038 2.0918 2.0927 5.1558 5.1572 11.0508 11.0528 11.5290 11.5292 12.1441 12.1478 k = 0.3727 0.6908 0.2578 ( 3236 PWs) bands (ev): -47.2434 -47.2434 -22.0002 -21.9998 -19.3190 -19.3142 -19.1545 -19.1506 -19.1191 -19.1109 -17.4597 -17.4597 -7.7910 -7.7903 -4.3130 -4.3095 -4.1888 -4.1883 -3.8648 -3.8603 0.1646 0.1672 1.4074 1.4100 2.0903 2.0912 5.1847 5.1860 11.0154 11.0171 11.4799 11.4803 12.0793 12.0829 k = 0.3783 0.6860 0.2466 ( 3236 PWs) bands (ev): -47.2434 -47.2434 -22.0004 -22.0000 -19.3197 -19.3152 -19.1554 -19.1515 -19.1188 -19.1108 -17.4599 -17.4599 -7.8000 -7.7992 -4.2913 -4.2878 -4.1866 -4.1861 -3.8706 -3.8662 0.1856 0.1882 1.4133 1.4159 2.0887 2.0896 5.2136 5.2148 10.9795 10.9809 11.4281 11.4286 12.0161 12.0195 k = 0.3838 0.6812 0.2354 ( 3232 PWs) bands (ev): -47.2435 -47.2435 -22.0006 -22.0003 -19.3205 -19.3162 -19.1562 -19.1523 -19.1185 -19.1107 -17.4601 -17.4601 -7.8087 -7.8079 -4.2695 -4.2660 -4.1844 -4.1839 -3.8764 -3.8720 0.2065 0.2091 1.4190 1.4215 2.0870 2.0880 5.2423 5.2434 10.9434 10.9446 11.3742 11.3748 11.9547 11.9580 k = 0.3893 0.6765 0.2242 ( 3232 PWs) bands (ev): -47.2435 -47.2435 -22.0008 -22.0005 -19.3213 -19.3172 -19.1570 -19.1532 -19.1181 -19.1106 -17.4602 -17.4602 -7.8171 -7.8164 -4.2477 -4.2442 -4.1824 -4.1819 -3.8820 -3.8777 0.2273 0.2298 1.4244 1.4269 2.0854 2.0863 5.2707 5.2718 10.9072 10.9082 11.3188 11.3195 11.8952 11.8983 k = 0.3949 0.6717 0.2130 ( 3236 PWs) bands (ev): -47.2436 -47.2436 -22.0011 -22.0008 -19.3221 -19.3183 -19.1578 -19.1540 -19.1178 -19.1105 -17.4603 -17.4603 -7.8254 -7.8247 -4.2261 -4.2226 -4.1805 -4.1800 -3.8876 -3.8833 0.2478 0.2502 1.4295 1.4320 2.0836 2.0845 5.2987 5.2998 10.8710 10.8718 11.2625 11.2633 11.8376 11.8405 k = 0.4004 0.6670 0.2017 ( 3228 PWs) bands (ev): -47.2436 -47.2436 -22.0014 -22.0011 -19.3228 -19.3192 -19.1585 -19.1548 -19.1173 -19.1103 -17.4604 -17.4604 -7.8333 -7.8327 -4.2049 -4.2012 -4.1787 -4.1781 -3.8930 -3.8888 0.2680 0.2704 1.4344 1.4368 2.0819 2.0828 5.3263 5.3273 10.8350 10.8355 11.2062 11.2071 11.7821 11.7849 k = 0.4059 0.6622 0.1905 ( 3232 PWs) bands (ev): -47.2437 -47.2437 -22.0017 -22.0015 -19.3236 -19.3203 -19.1593 -19.1556 -19.1169 -19.1102 -17.4605 -17.4605 -7.8410 -7.8404 -4.1845 -4.1809 -4.1764 -4.1758 -3.8983 -3.8941 0.2877 0.2900 1.4390 1.4413 2.0801 2.0810 5.3532 5.3542 10.7990 10.7993 11.1505 11.1514 11.7289 11.7315 k = 0.4115 0.6575 0.1793 ( 3228 PWs) bands (ev): -47.2437 -47.2437 -22.0021 -22.0018 -19.3244 -19.3213 -19.1599 -19.1564 -19.1164 -19.1101 -17.4606 -17.4606 -7.8484 -7.8478 -4.1758 -4.1758 -4.1624 -4.1593 -3.9034 -3.8992 0.3069 0.3091 1.4434 1.4456 2.0784 2.0792 5.3795 5.3804 10.7633 10.7634 11.0961 11.0971 11.6780 11.6805 k = 0.4170 0.6527 0.1681 ( 3228 PWs) bands (ev): -47.2438 -47.2438 -22.0024 -22.0022 -19.3252 -19.3222 -19.1605 -19.1571 -19.1159 -19.1099 -17.4606 -17.4606 -7.8554 -7.8548 -4.1743 -4.1741 -4.1428 -4.1394 -3.9083 -3.9041 0.3255 0.3277 1.4474 1.4496 2.0767 2.0775 5.4048 5.4057 10.7277 10.7277 11.0437 11.0448 11.6295 11.6318 k = 0.4225 0.6479 0.1569 ( 3232 PWs) bands (ev): -47.2438 -47.2438 -22.0027 -22.0025 -19.3259 -19.3232 -19.1611 -19.1579 -19.1154 -19.1098 -17.4606 -17.4606 -7.8621 -7.8615 -4.1729 -4.1727 -4.1236 -4.1201 -3.9131 -3.9089 0.3434 0.3455 1.4512 1.4533 2.0750 2.0757 5.4292 5.4301 10.6921 10.6923 10.9939 10.9950 11.5836 11.5858 k = 0.4281 0.6432 0.1457 ( 3232 PWs) bands (ev): -47.2438 -47.2438 -22.0031 -22.0029 -19.3266 -19.3241 -19.1616 -19.1585 -19.1150 -19.1097 -17.4606 -17.4606 -7.8684 -7.8678 -4.1717 -4.1715 -4.1051 -4.1016 -3.9176 -3.9134 0.3606 0.3625 1.4547 1.4567 2.0734 2.0741 5.4526 5.4534 10.6570 10.6573 10.9472 10.9484 11.5404 11.5424 k = 0.4336 0.6384 0.1345 ( 3232 PWs) bands (ev): -47.2439 -47.2439 -22.0034 -22.0032 -19.3273 -19.3250 -19.1620 -19.1592 -19.1145 -19.1096 -17.4607 -17.4607 -7.8743 -7.8738 -4.1706 -4.1703 -4.0876 -4.0839 -3.9218 -3.9176 0.3768 0.3787 1.4580 1.4598 2.0718 2.0725 5.4747 5.4754 10.6223 10.6226 10.9041 10.9053 11.4999 11.5017 k = 0.4391 0.6337 0.1233 ( 3234 PWs) bands (ev): -47.2439 -47.2439 -22.0037 -22.0035 -19.3280 -19.3259 -19.1624 -19.1598 -19.1140 -19.1096 -17.4607 -17.4607 -7.8798 -7.8793 -4.1696 -4.1693 -4.0710 -4.0672 -3.9259 -3.9216 0.3921 0.3939 1.4610 1.4627 2.0703 2.0709 5.4955 5.4962 10.5883 10.5887 10.8647 10.8659 11.4622 11.4640 k = 0.4447 0.6289 0.1121 ( 3230 PWs) bands (ev): -47.2440 -47.2440 -22.0040 -22.0038 -19.3285 -19.3267 -19.1628 -19.1604 -19.1135 -19.1095 -17.4606 -17.4606 -7.8848 -7.8844 -4.1686 -4.1684 -4.0554 -4.0515 -3.9296 -3.9252 0.4064 0.4080 1.4637 1.4653 2.0689 2.0694 5.5150 5.5156 10.5553 10.5557 10.8293 10.8305 11.4276 11.4291 k = 0.4502 0.6241 0.1009 ( 3230 PWs) bands (ev): -47.2440 -47.2440 -22.0043 -22.0041 -19.3291 -19.3274 -19.1631 -19.1609 -19.1131 -19.1094 -17.4606 -17.4606 -7.8895 -7.8891 -4.1678 -4.1676 -4.0410 -4.0371 -3.9331 -3.9287 0.4196 0.4211 1.4662 1.4676 2.0675 2.0681 5.5329 5.5334 10.5237 10.5242 10.7979 10.7989 11.3959 11.3973 k = 0.4557 0.6194 0.0897 ( 3234 PWs) bands (ev): -47.2440 -47.2440 -22.0046 -22.0044 -19.3296 -19.3281 -19.1634 -19.1614 -19.1127 -19.1094 -17.4606 -17.4606 -7.8936 -7.8933 -4.1671 -4.1669 -4.0279 -4.0238 -3.9362 -3.9318 0.4316 0.4329 1.4683 1.4697 2.0663 2.0668 5.5491 5.5496 10.4940 10.4945 10.7702 10.7712 11.3674 11.3686 k = 0.4613 0.6146 0.0785 ( 3230 PWs) bands (ev): -47.2441 -47.2441 -22.0048 -22.0047 -19.3300 -19.3288 -19.1636 -19.1618 -19.1122 -19.1093 -17.4606 -17.4606 -7.8973 -7.8970 -4.1664 -4.1663 -4.0161 -4.0119 -3.9391 -3.9346 0.4424 0.4436 1.4703 1.4715 2.0652 2.0657 5.5638 5.5642 10.4666 10.4671 10.7463 10.7472 11.3421 11.3432 k = 0.4668 0.6099 0.0672 ( 3238 PWs) bands (ev): -47.2441 -47.2441 -22.0050 -22.0049 -19.3304 -19.3294 -19.1638 -19.1623 -19.1118 -19.1094 -17.4606 -17.4606 -7.9006 -7.9003 -4.1659 -4.1657 -4.0056 -4.0014 -3.9417 -3.9372 0.4518 0.4528 1.4720 1.4730 2.0643 2.0647 5.5766 5.5769 10.4420 10.4423 10.7260 10.7267 11.3200 11.3209 k = 0.4723 0.6051 0.0560 ( 3242 PWs) bands (ev): -47.2441 -47.2441 -22.0052 -22.0051 -19.3308 -19.3299 -19.1639 -19.1627 -19.1115 -19.1094 -17.4606 -17.4606 -7.9033 -7.9031 -4.1654 -4.1653 -3.9965 -3.9923 -3.9440 -3.9395 0.4599 0.4608 1.4734 1.4743 2.0635 2.0638 5.5876 5.5879 10.4205 10.4208 10.7090 10.7097 11.3012 11.3020 k = 0.4779 0.6003 0.0448 ( 3246 PWs) bands (ev): -47.2441 -47.2441 -22.0053 -22.0052 -19.3310 -19.3303 -19.1640 -19.1630 -19.1112 -19.1095 -17.4606 -17.4606 -7.9056 -7.9054 -4.1651 -4.1650 -3.9889 -3.9847 -3.9459 -3.9416 0.4666 0.4673 1.4746 1.4753 2.0628 2.0630 5.5966 5.5969 10.4024 10.4027 10.6954 10.6959 11.2858 11.2864 k = 0.4834 0.5956 0.0336 ( 3246 PWs) bands (ev): -47.2442 -47.2442 -22.0054 -22.0054 -19.3312 -19.3307 -19.1641 -19.1633 -19.1109 -19.1096 -17.4606 -17.4606 -7.9073 -7.9072 -4.1648 -4.1647 -3.9826 -3.9789 -3.9473 -3.9434 0.4719 0.4725 1.4755 1.4760 2.0623 2.0624 5.6037 5.6039 10.3881 10.3883 10.6849 10.6853 11.2738 11.2742 k = 0.4889 0.5908 0.0224 ( 3248 PWs) bands (ev): -47.2442 -47.2442 -22.0055 -22.0055 -19.3313 -19.3310 -19.1641 -19.1635 -19.1106 -19.1098 -17.4605 -17.4605 -7.9086 -7.9085 -4.1646 -4.1645 -3.9778 -3.9748 -3.9481 -3.9451 0.4757 0.4761 1.4762 1.4766 2.0619 2.0620 5.6089 5.6090 10.3777 10.3779 10.6774 10.6777 11.2652 11.2655 k = 0.4945 0.5861 0.0112 ( 3248 PWs) bands (ev): -47.2442 -47.2442 -22.0056 -22.0055 -19.3314 -19.3312 -19.1640 -19.1637 -19.1103 -19.1099 -17.4605 -17.4605 -7.9093 -7.9093 -4.1644 -4.1644 -3.9744 -3.9727 -3.9483 -3.9465 0.4781 0.4782 1.4767 1.4768 2.0617 2.0617 5.6119 5.6120 10.3715 10.3715 10.6730 10.6732 11.2600 11.2602 k = 0.5000 0.5813-0.0000 ( 3244 PWs) bands (ev): -47.2442 -47.2442 -22.0056 -22.0056 -19.3313 -19.3313 -19.1639 -19.1639 -19.1101 -19.1101 -17.4605 -17.4605 -7.9096 -7.9096 -4.1644 -4.1644 -3.9727 -3.9727 -3.9477 -3.9477 0.4789 0.4789 1.4769 1.4769 2.0616 2.0616 5.6130 5.6130 10.3694 10.3694 10.6716 10.6716 11.2584 11.2584 k = 0.5000 0.5813-0.0000 ( 3244 PWs) bands (ev): -47.2442 -47.2442 -22.0056 -22.0056 -19.3313 -19.3313 -19.1639 -19.1639 -19.1101 -19.1101 -17.4605 -17.4605 -7.9096 -7.9096 -4.1644 -4.1644 -3.9727 -3.9727 -3.9477 -3.9477 0.4789 0.4789 1.4769 1.4769 2.0616 2.0616 5.6130 5.6130 10.3694 10.3694 10.6716 10.6716 11.2584 11.2584 k = 0.4912 0.5711-0.0000 ( 3244 PWs) bands (ev): -47.2442 -47.2442 -22.0057 -22.0057 -19.3312 -19.3312 -19.1638 -19.1638 -19.1101 -19.1101 -17.4605 -17.4605 -7.9094 -7.9094 -4.1646 -4.1646 -3.9725 -3.9725 -3.9477 -3.9477 0.4787 0.4787 1.4764 1.4764 2.0615 2.0615 5.6127 5.6127 10.3640 10.3640 10.6737 10.6737 11.2603 11.2603 k = 0.4825 0.5609-0.0000 ( 3242 PWs) bands (ev): -47.2442 -47.2442 -22.0059 -22.0059 -19.3311 -19.3311 -19.1637 -19.1637 -19.1099 -19.1099 -17.4603 -17.4603 -7.9089 -7.9089 -4.1653 -4.1653 -3.9719 -3.9719 -3.9476 -3.9476 0.4780 0.4780 1.4751 1.4751 2.0613 2.0613 5.6116 5.6116 10.3485 10.3485 10.6796 10.6796 11.2661 11.2661 k = 0.4737 0.5507-0.0000 ( 3244 PWs) bands (ev): -47.2442 -47.2442 -22.0064 -22.0064 -19.3309 -19.3309 -19.1635 -19.1635 -19.1098 -19.1098 -17.4601 -17.4601 -7.9081 -7.9081 -4.1666 -4.1666 -3.9710 -3.9710 -3.9476 -3.9476 0.4768 0.4768 1.4730 1.4730 2.0608 2.0608 5.6098 5.6098 10.3239 10.3239 10.6886 10.6886 11.2757 11.2757 k = 0.4649 0.5405-0.0000 ( 3236 PWs) bands (ev): -47.2442 -47.2442 -22.0070 -22.0070 -19.3306 -19.3306 -19.1632 -19.1632 -19.1096 -19.1096 -17.4597 -17.4597 -7.9069 -7.9069 -4.1683 -4.1683 -3.9698 -3.9698 -3.9475 -3.9475 0.4752 0.4752 1.4699 1.4699 2.0602 2.0602 5.6074 5.6074 10.2917 10.2917 10.6999 10.6999 11.2891 11.2891 k = 0.4561 0.5303-0.0000 ( 3236 PWs) bands (ev): -47.2442 -47.2442 -22.0077 -22.0077 -19.3303 -19.3303 -19.1629 -19.1629 -19.1093 -19.1093 -17.4593 -17.4593 -7.9054 -7.9054 -4.1705 -4.1705 -3.9682 -3.9682 -3.9474 -3.9474 0.4731 0.4731 1.4661 1.4661 2.0594 2.0594 5.6043 5.6043 10.2532 10.2532 10.7130 10.7130 11.3063 11.3063 k = 0.4474 0.5201-0.0000 ( 3238 PWs) bands (ev): -47.2442 -47.2442 -22.0087 -22.0087 -19.3299 -19.3299 -19.1625 -19.1625 -19.1090 -19.1090 -17.4588 -17.4588 -7.9036 -7.9036 -4.1732 -4.1732 -3.9663 -3.9663 -3.9472 -3.9472 0.4706 0.4706 1.4613 1.4613 2.0584 2.0584 5.6005 5.6005 10.2097 10.2097 10.7274 10.7274 11.3273 11.3273 k = 0.4386 0.5099-0.0000 ( 3238 PWs) bands (ev): -47.2442 -47.2442 -22.0098 -22.0098 -19.3294 -19.3294 -19.1620 -19.1620 -19.1086 -19.1086 -17.4581 -17.4581 -7.9014 -7.9014 -4.1763 -4.1763 -3.9642 -3.9642 -3.9470 -3.9470 0.4677 0.4677 1.4558 1.4558 2.0571 2.0571 5.5960 5.5960 10.1622 10.1622 10.7430 10.7430 11.3521 11.3521 k = 0.4298 0.4997-0.0000 ( 3238 PWs) bands (ev): -47.2442 -47.2442 -22.0110 -22.0110 -19.3288 -19.3288 -19.1615 -19.1615 -19.1082 -19.1082 -17.4574 -17.4574 -7.8989 -7.8989 -4.1800 -4.1800 -3.9617 -3.9617 -3.9467 -3.9467 0.4643 0.4643 1.4495 1.4495 2.0557 2.0557 5.5909 5.5909 10.1114 10.1114 10.7598 10.7598 11.3806 11.3806 k = 0.4211 0.4895-0.0000 ( 3234 PWs) bands (ev): -47.2442 -47.2442 -22.0124 -22.0124 -19.3282 -19.3282 -19.1609 -19.1609 -19.1078 -19.1078 -17.4566 -17.4566 -7.8960 -7.8960 -4.1840 -4.1840 -3.9592 -3.9592 -3.9462 -3.9462 0.4604 0.4604 1.4424 1.4424 2.0540 2.0540 5.5852 5.5852 10.0582 10.0582 10.7779 10.7779 11.4129 11.4129 k = 0.4123 0.4793-0.0000 ( 3236 PWs) bands (ev): -47.2442 -47.2442 -22.0140 -22.0140 -19.3275 -19.3275 -19.1602 -19.1602 -19.1073 -19.1073 -17.4557 -17.4557 -7.8928 -7.8928 -4.1885 -4.1885 -3.9567 -3.9567 -3.9454 -3.9454 0.4562 0.4562 1.4345 1.4345 2.0520 2.0520 5.5788 5.5788 10.0030 10.0030 10.7973 10.7973 11.4488 11.4488 k = 0.4035 0.4691-0.0000 ( 3228 PWs) bands (ev): -47.2442 -47.2442 -22.0156 -22.0156 -19.3267 -19.3267 -19.1595 -19.1595 -19.1067 -19.1067 -17.4547 -17.4547 -7.8892 -7.8892 -4.1934 -4.1934 -3.9544 -3.9544 -3.9439 -3.9439 0.4516 0.4516 1.4260 1.4260 2.0499 2.0499 5.5718 5.5718 9.9465 9.9465 10.8181 10.8181 11.4884 11.4884 k = 0.3947 0.4589-0.0000 ( 3236 PWs) bands (ev): -47.2442 -47.2442 -22.0174 -22.0174 -19.3260 -19.3260 -19.1588 -19.1588 -19.1062 -19.1062 -17.4536 -17.4536 -7.8852 -7.8852 -4.1988 -4.1988 -3.9528 -3.9528 -3.9416 -3.9416 0.4467 0.4467 1.4167 1.4167 2.0473 2.0473 5.5643 5.5643 9.8889 9.8889 10.8405 10.8405 11.5316 11.5316 k = 0.3860 0.4487-0.0000 ( 3238 PWs) bands (ev): -47.2442 -47.2442 -22.0193 -22.0193 -19.3251 -19.3251 -19.1581 -19.1581 -19.1056 -19.1056 -17.4524 -17.4524 -7.8808 -7.8808 -4.2045 -4.2045 -3.9519 -3.9519 -3.9383 -3.9383 0.4413 0.4413 1.4068 1.4068 2.0446 2.0446 5.5562 5.5562 9.8308 9.8308 10.8644 10.8644 11.5784 11.5784 k = 0.3772 0.4385-0.0000 ( 3238 PWs) bands (ev): -47.2442 -47.2442 -22.0213 -22.0213 -19.3243 -19.3243 -19.1573 -19.1573 -19.1050 -19.1050 -17.4511 -17.4511 -7.8760 -7.8760 -4.2106 -4.2106 -3.9515 -3.9515 -3.9343 -3.9343 0.4357 0.4357 1.3963 1.3963 2.0414 2.0414 5.5476 5.5476 9.7723 9.7723 10.8900 10.8900 11.6287 11.6287 k = 0.3684 0.4283-0.0000 ( 3242 PWs) bands (ev): -47.2442 -47.2442 -22.0234 -22.0234 -19.3234 -19.3234 -19.1565 -19.1565 -19.1044 -19.1044 -17.4498 -17.4498 -7.8708 -7.8708 -4.2171 -4.2171 -3.9514 -3.9514 -3.9298 -3.9298 0.4297 0.4297 1.3852 1.3852 2.0380 2.0380 5.5384 5.5384 9.7139 9.7139 10.9174 10.9174 11.6824 11.6824 k = 0.3596 0.4181-0.0000 ( 3242 PWs) bands (ev): -47.2443 -47.2443 -22.0255 -22.0255 -19.3224 -19.3224 -19.1557 -19.1557 -19.1038 -19.1038 -17.4483 -17.4483 -7.8652 -7.8652 -4.2239 -4.2239 -3.9515 -3.9515 -3.9248 -3.9248 0.4234 0.4234 1.3736 1.3736 2.0341 2.0341 5.5288 5.5288 9.6557 9.6557 10.9466 10.9466 11.7396 11.7396 k = 0.3509 0.4079-0.0000 ( 3242 PWs) bands (ev): -47.2443 -47.2443 -22.0278 -22.0278 -19.3214 -19.3214 -19.1548 -19.1548 -19.1031 -19.1031 -17.4468 -17.4468 -7.8593 -7.8593 -4.2311 -4.2311 -3.9517 -3.9517 -3.9195 -3.9195 0.4168 0.4168 1.3615 1.3615 2.0300 2.0300 5.5188 5.5188 9.5979 9.5979 10.9776 10.9776 11.8001 11.8001 k = 0.3421 0.3977-0.0000 ( 3238 PWs) bands (ev): -47.2443 -47.2443 -22.0300 -22.0300 -19.3204 -19.3204 -19.1539 -19.1539 -19.1025 -19.1025 -17.4452 -17.4452 -7.8529 -7.8529 -4.2385 -4.2385 -3.9521 -3.9521 -3.9138 -3.9138 0.4099 0.4099 1.3489 1.3489 2.0254 2.0254 5.5084 5.5084 9.5407 9.5407 11.0105 11.0105 11.8640 11.8640 k = 0.3333 0.3875-0.0000 ( 3234 PWs) bands (ev): -47.2443 -47.2443 -22.0324 -22.0324 -19.3194 -19.3194 -19.1530 -19.1530 -19.1018 -19.1018 -17.4436 -17.4436 -7.8461 -7.8461 -4.2462 -4.2462 -3.9526 -3.9526 -3.9080 -3.9080 0.4029 0.4029 1.3360 1.3360 2.0204 2.0204 5.4976 5.4976 9.4844 9.4844 11.0453 11.0453 11.9310 11.9310 k = 0.3246 0.3773-0.0000 ( 3242 PWs) bands (ev): -47.2443 -47.2443 -22.0347 -22.0347 -19.3184 -19.3184 -19.1522 -19.1522 -19.1013 -19.1013 -17.4419 -17.4419 -7.8389 -7.8389 -4.2542 -4.2542 -3.9532 -3.9532 -3.9019 -3.9019 0.3955 0.3955 1.3227 1.3227 2.0151 2.0151 5.4864 5.4864 9.4289 9.4289 11.0820 11.0820 12.0013 12.0013 k = 0.3158 0.3671-0.0000 ( 3254 PWs) bands (ev): -47.2443 -47.2443 -22.0371 -22.0371 -19.3174 -19.3174 -19.1513 -19.1513 -19.1008 -19.1008 -17.4401 -17.4401 -7.8313 -7.8313 -4.2625 -4.2625 -3.9540 -3.9540 -3.8956 -3.8956 0.3880 0.3880 1.3090 1.3090 2.0093 2.0093 5.4748 5.4748 9.3744 9.3744 11.1206 11.1206 12.0747 12.0747 k = 0.3070 0.3569-0.0000 ( 3250 PWs) bands (ev): -47.2443 -47.2443 -22.0395 -22.0395 -19.3164 -19.3164 -19.1504 -19.1504 -19.1003 -19.1003 -17.4383 -17.4383 -7.8233 -7.8233 -4.2709 -4.2709 -3.9548 -3.9548 -3.8891 -3.8891 0.3804 0.3804 1.2951 1.2951 2.0031 2.0031 5.4631 5.4631 9.3211 9.3211 11.1611 11.1611 12.1511 12.1511 k = 0.2982 0.3467-0.0000 ( 3246 PWs) bands (ev): -47.2444 -47.2444 -22.0419 -22.0419 -19.3153 -19.3153 -19.1495 -19.1495 -19.0998 -19.0998 -17.4363 -17.4363 -7.8149 -7.8149 -4.2795 -4.2795 -3.9556 -3.9556 -3.8824 -3.8824 0.3726 0.3726 1.2809 1.2809 1.9964 1.9964 5.4511 5.4511 9.2690 9.2690 11.2036 11.2036 12.2305 12.2305 k = 0.2895 0.3365-0.0000 ( 3246 PWs) bands (ev): -47.2444 -47.2444 -22.0443 -22.0443 -19.3143 -19.3143 -19.1486 -19.1486 -19.0993 -19.0993 -17.4344 -17.4344 -7.8062 -7.8062 -4.2883 -4.2883 -3.9566 -3.9566 -3.8756 -3.8756 0.3647 0.3647 1.2666 1.2666 1.9894 1.9894 5.4388 5.4388 9.2183 9.2183 11.2479 11.2479 12.3128 12.3128 k = 0.2807 0.3263-0.0000 ( 3246 PWs) bands (ev): -47.2444 -47.2444 -22.0467 -22.0467 -19.3134 -19.3133 -19.1478 -19.1478 -19.0989 -19.0989 -17.4324 -17.4324 -7.7971 -7.7971 -4.2972 -4.2972 -3.9577 -3.9577 -3.8686 -3.8686 0.3566 0.3566 1.2522 1.2522 1.9819 1.9819 5.4264 5.4264 9.1689 9.1689 11.2940 11.2940 12.3979 12.3979 k = 0.2719 0.3161-0.0000 ( 3252 PWs) bands (ev): -47.2444 -47.2444 -22.0491 -22.0491 -19.3124 -19.3124 -19.1469 -19.1469 -19.0986 -19.0986 -17.4304 -17.4304 -7.7877 -7.7877 -4.3062 -4.3062 -3.9589 -3.9589 -3.8616 -3.8616 0.3486 0.3486 1.2376 1.2376 1.9740 1.9740 5.4139 5.4139 9.1211 9.1211 11.3419 11.3419 12.4858 12.4858 k = 0.2632 0.3060-0.0000 ( 3250 PWs) bands (ev): -47.2444 -47.2444 -22.0514 -22.0514 -19.3115 -19.3115 -19.1461 -19.1461 -19.0983 -19.0983 -17.4283 -17.4283 -7.7779 -7.7779 -4.3153 -4.3153 -3.9602 -3.9602 -3.8545 -3.8545 0.3404 0.3404 1.2230 1.2230 1.9658 1.9658 5.4013 5.4013 9.0748 9.0748 11.3916 11.3916 12.5763 12.5763 k = 0.2544 0.2958-0.0000 ( 3258 PWs) bands (ev): -47.2444 -47.2444 -22.0537 -22.0537 -19.3106 -19.3106 -19.1453 -19.1453 -19.0981 -19.0981 -17.4262 -17.4262 -7.7679 -7.7679 -4.3244 -4.3244 -3.9616 -3.9616 -3.8473 -3.8473 0.3323 0.3323 1.2084 1.2084 1.9571 1.9571 5.3886 5.3886 9.0300 9.0300 11.4429 11.4429 12.6693 12.6693 k = 0.2456 0.2856-0.0000 ( 3260 PWs) bands (ev): -47.2445 -47.2445 -22.0559 -22.0559 -19.3097 -19.3097 -19.1445 -19.1445 -19.0980 -19.0980 -17.4241 -17.4241 -7.7576 -7.7576 -4.3336 -4.3336 -3.9630 -3.9630 -3.8401 -3.8401 0.3241 0.3241 1.1938 1.1938 1.9480 1.9480 5.3759 5.3759 8.9869 8.9869 11.4958 11.4958 12.7648 12.7648 k = 0.2368 0.2754-0.0000 ( 3264 PWs) bands (ev): -47.2445 -47.2445 -22.0581 -22.0581 -19.3089 -19.3089 -19.1437 -19.1437 -19.0979 -19.0979 -17.4220 -17.4220 -7.7471 -7.7471 -4.3427 -4.3427 -3.9645 -3.9645 -3.8328 -3.8328 0.3160 0.3160 1.1794 1.1794 1.9385 1.9385 5.3632 5.3632 8.9455 8.9455 11.5501 11.5501 12.8627 12.8627 k = 0.2281 0.2652-0.0000 ( 3264 PWs) bands (ev): -47.2445 -47.2445 -22.0602 -22.0602 -19.3080 -19.3080 -19.1429 -19.1429 -19.0978 -19.0978 -17.4199 -17.4199 -7.7364 -7.7364 -4.3519 -4.3519 -3.9661 -3.9661 -3.8256 -3.8256 0.3079 0.3079 1.1650 1.1650 1.9289 1.9289 5.3506 5.3506 8.9057 8.9057 11.6059 11.6059 12.9629 12.9629 k = 0.2193 0.2550-0.0000 ( 3264 PWs) bands (ev): -47.2445 -47.2445 -22.0623 -22.0623 -19.3073 -19.3073 -19.1422 -19.1422 -19.0978 -19.0978 -17.4177 -17.4177 -7.7255 -7.7255 -4.3609 -4.3609 -3.9677 -3.9677 -3.8184 -3.8184 0.2999 0.2999 1.1509 1.1509 1.9189 1.9189 5.3381 5.3381 8.8677 8.8677 11.6629 11.6629 13.0652 13.0652 k = 0.2105 0.2448-0.0000 ( 3264 PWs) bands (ev): -47.2445 -47.2445 -22.0643 -22.0643 -19.3065 -19.3065 -19.1414 -19.1414 -19.0979 -19.0979 -17.4156 -17.4156 -7.7144 -7.7144 -4.3699 -4.3699 -3.9694 -3.9694 -3.8112 -3.8112 0.2920 0.2920 1.1369 1.1369 1.9086 1.9086 5.3256 5.3256 8.8314 8.8314 11.7210 11.7210 13.1696 13.1696 k = 0.2018 0.2346-0.0000 ( 3259 PWs) bands (ev): -47.2445 -47.2445 -22.0662 -22.0662 -19.3058 -19.3058 -19.1407 -19.1407 -19.0979 -19.0979 -17.4135 -17.4135 -7.7033 -7.7033 -4.3788 -4.3788 -3.9711 -3.9711 -3.8042 -3.8042 0.2843 0.2843 1.1232 1.1232 1.8982 1.8982 5.3134 5.3134 8.7969 8.7969 11.7802 11.7802 13.2759 13.2759 k = 0.1930 0.2244-0.0000 ( 3255 PWs) bands (ev): -47.2445 -47.2445 -22.0680 -22.0680 -19.3051 -19.3051 -19.1400 -19.1400 -19.0981 -19.0981 -17.4114 -17.4114 -7.6922 -7.6922 -4.3875 -4.3875 -3.9729 -3.9729 -3.7972 -3.7972 0.2767 0.2767 1.1098 1.1098 1.8875 1.8875 5.3014 5.3014 8.7641 8.7641 11.8401 11.8401 13.3840 13.3840 k = 0.1842 0.2142-0.0000 ( 3255 PWs) bands (ev): -47.2446 -47.2446 -22.0698 -22.0698 -19.3045 -19.3045 -19.1393 -19.1393 -19.0983 -19.0983 -17.4093 -17.4093 -7.6811 -7.6811 -4.3961 -4.3961 -3.9746 -3.9746 -3.7903 -3.7903 0.2692 0.2692 1.0968 1.0968 1.8768 1.8768 5.2896 5.2896 8.7331 8.7331 11.9008 11.9008 13.4937 13.4937 k = 0.1754 0.2040-0.0000 ( 3263 PWs) bands (ev): -47.2446 -47.2446 -22.0715 -22.0715 -19.3040 -19.3040 -19.1387 -19.1387 -19.0986 -19.0986 -17.4072 -17.4072 -7.6700 -7.6700 -4.4045 -4.4045 -3.9765 -3.9765 -3.7836 -3.7836 0.2619 0.2619 1.0840 1.0840 1.8660 1.8660 5.2781 5.2781 8.7037 8.7037 11.9618 11.9618 13.6048 13.6048 k = 0.1667 0.1938-0.0000 ( 3267 PWs) bands (ev): -47.2446 -47.2446 -22.0731 -22.0731 -19.3034 -19.3034 -19.1381 -19.1381 -19.0989 -19.0989 -17.4052 -17.4052 -7.6590 -7.6590 -4.4126 -4.4126 -3.9783 -3.9783 -3.7771 -3.7771 0.2549 0.2549 1.0717 1.0717 1.8552 1.8552 5.2669 5.2669 8.6762 8.6762 12.0232 12.0232 13.7173 13.7173 k = 0.1579 0.1836-0.0000 ( 3271 PWs) bands (ev): -47.2446 -47.2446 -22.0746 -22.0746 -19.3030 -19.3030 -19.1376 -19.1376 -19.0993 -19.0993 -17.4033 -17.4033 -7.6482 -7.6482 -4.4205 -4.4205 -3.9801 -3.9801 -3.7707 -3.7707 0.2481 0.2481 1.0598 1.0598 1.8444 1.8444 5.2561 5.2561 8.6503 8.6503 12.0845 12.0845 13.8308 13.8308 k = 0.1491 0.1734-0.0000 ( 3267 PWs) bands (ev): -47.2446 -47.2446 -22.0760 -22.0760 -19.3025 -19.3025 -19.1370 -19.1370 -19.0996 -19.0996 -17.4014 -17.4014 -7.6375 -7.6375 -4.4281 -4.4281 -3.9819 -3.9819 -3.7646 -3.7646 0.2415 0.2415 1.0484 1.0484 1.8337 1.8337 5.2456 5.2456 8.6261 8.6261 12.1457 12.1457 13.9451 13.9451 k = 0.1404 0.1632-0.0000 ( 3267 PWs) bands (ev): -47.2446 -47.2446 -22.0773 -22.0773 -19.3021 -19.3021 -19.1365 -19.1365 -19.1000 -19.1000 -17.3996 -17.3996 -7.6271 -7.6271 -4.4355 -4.4355 -3.9836 -3.9836 -3.7587 -3.7587 0.2352 0.2352 1.0375 1.0375 1.8232 1.8232 5.2356 5.2356 8.6035 8.6035 12.2064 12.2064 14.0598 14.0598 k = 0.1316 0.1530-0.0000 ( 3271 PWs) bands (ev): -47.2447 -47.2447 -22.0786 -22.0786 -19.3018 -19.3018 -19.1360 -19.1360 -19.1004 -19.1004 -17.3978 -17.3978 -7.6171 -7.6171 -4.4425 -4.4425 -3.9853 -3.9853 -3.7530 -3.7530 0.2292 0.2292 1.0271 1.0271 1.8129 1.8129 5.2259 5.2259 8.5826 8.5826 12.2663 12.2663 14.1746 14.1746 k = 0.1228 0.1428-0.0000 ( 3271 PWs) bands (ev): -47.2447 -47.2447 -22.0797 -22.0797 -19.3015 -19.3015 -19.1356 -19.1356 -19.1007 -19.1007 -17.3961 -17.3961 -7.6074 -7.6074 -4.4492 -4.4492 -3.9870 -3.9870 -3.7476 -3.7476 0.2235 0.2235 1.0172 1.0172 1.8029 1.8029 5.2168 5.2168 8.5632 8.5632 12.3252 12.3252 14.2888 14.2888 k = 0.1140 0.1326-0.0000 ( 3267 PWs) bands (ev): -47.2447 -47.2447 -22.0808 -22.0808 -19.3012 -19.3012 -19.1351 -19.1351 -19.1011 -19.1011 -17.3945 -17.3945 -7.5980 -7.5980 -4.4555 -4.4555 -3.9885 -3.9885 -3.7424 -3.7424 0.2181 0.2181 1.0079 1.0079 1.7933 1.7933 5.2082 5.2082 8.5455 8.5455 12.3826 12.3826 14.4013 14.4013 k = 0.1053 0.1224-0.0000 ( 3267 PWs) bands (ev): -47.2447 -47.2447 -22.0818 -22.0818 -19.3009 -19.3009 -19.1348 -19.1348 -19.1015 -19.1015 -17.3930 -17.3930 -7.5892 -7.5892 -4.4614 -4.4614 -3.9901 -3.9901 -3.7376 -3.7376 0.2131 0.2131 0.9993 0.9993 1.7841 1.7841 5.2001 5.2001 8.5292 8.5292 12.4382 12.4382 14.4435 14.4435 k = 0.0965 0.1122-0.0000 ( 3267 PWs) bands (ev): -47.2447 -47.2447 -22.0827 -22.0827 -19.3007 -19.3007 -19.1344 -19.1344 -19.1019 -19.1019 -17.3916 -17.3916 -7.5809 -7.5809 -4.4669 -4.4669 -3.9915 -3.9915 -3.7331 -3.7331 0.2084 0.2084 0.9912 0.9912 1.7754 1.7754 5.1925 5.1925 8.5144 8.5144 12.4917 12.4917 14.4522 14.4522 k = 0.0877 0.1020-0.0000 ( 3267 PWs) bands (ev): -47.2447 -47.2447 -22.0835 -22.0835 -19.3005 -19.3005 -19.1341 -19.1341 -19.1022 -19.1022 -17.3903 -17.3903 -7.5731 -7.5731 -4.4720 -4.4720 -3.9928 -3.9928 -3.7289 -3.7289 0.2041 0.2041 0.9837 0.9837 1.7671 1.7671 5.1855 5.1855 8.5010 8.5010 12.5426 12.5426 14.4595 14.4595 k = 0.0789 0.0918-0.0000 ( 3267 PWs) bands (ev): -47.2447 -47.2447 -22.0843 -22.0843 -19.3004 -19.3004 -19.1338 -19.1338 -19.1026 -19.1026 -17.3891 -17.3891 -7.5659 -7.5659 -4.4767 -4.4767 -3.9941 -3.9941 -3.7251 -3.7251 0.2001 0.2001 0.9769 0.9769 1.7595 1.7595 5.1791 5.1791 8.4891 8.4891 12.5905 12.5905 14.4658 14.4658 k = 0.0702 0.0816-0.0000 ( 3267 PWs) bands (ev): -47.2447 -47.2447 -22.0849 -22.0849 -19.3002 -19.3002 -19.1336 -19.1336 -19.1029 -19.1029 -17.3880 -17.3880 -7.5593 -7.5593 -4.4809 -4.4809 -3.9952 -3.9952 -3.7217 -3.7217 0.1965 0.1965 0.9708 0.9708 1.7526 1.7526 5.1734 5.1734 8.4785 8.4785 12.6350 12.6350 14.4711 14.4711 k = 0.0614 0.0714-0.0000 ( 3255 PWs) bands (ev): -47.2447 -47.2447 -22.0855 -22.0855 -19.3001 -19.3001 -19.1333 -19.1333 -19.1031 -19.1031 -17.3870 -17.3870 -7.5534 -7.5534 -4.4847 -4.4847 -3.9962 -3.9962 -3.7186 -3.7186 0.1934 0.1934 0.9654 0.9654 1.7463 1.7463 5.1682 5.1682 8.4693 8.4693 12.6756 12.6756 14.4757 14.4757 k = 0.0526 0.0612-0.0000 ( 3249 PWs) bands (ev): -47.2447 -47.2447 -22.0860 -22.0860 -19.2999 -19.2999 -19.1331 -19.1331 -19.1033 -19.1033 -17.3861 -17.3861 -7.5482 -7.5482 -4.4880 -4.4880 -3.9971 -3.9971 -3.7158 -3.7158 0.1906 0.1906 0.9607 0.9607 1.7408 1.7408 5.1638 5.1638 8.4613 8.4613 12.7119 12.7119 14.4795 14.4795 k = 0.0439 0.0510-0.0000 ( 3249 PWs) bands (ev): -47.2447 -47.2447 -22.0864 -22.0864 -19.2999 -19.2999 -19.1329 -19.1329 -19.1035 -19.1035 -17.3854 -17.3854 -7.5438 -7.5438 -4.4908 -4.4908 -3.9979 -3.9979 -3.7136 -3.7136 0.1883 0.1883 0.9567 0.9567 1.7361 1.7361 5.1599 5.1599 8.4547 8.4547 12.7435 12.7435 14.4827 14.4827 k = 0.0351 0.0408-0.0000 ( 3251 PWs) bands (ev): -47.2447 -47.2447 -22.0867 -22.0867 -19.2998 -19.2998 -19.1328 -19.1328 -19.1037 -19.1037 -17.3848 -17.3848 -7.5402 -7.5402 -4.4931 -4.4931 -3.9985 -3.9985 -3.7117 -3.7117 0.1863 0.1863 0.9533 0.9533 1.7321 1.7321 5.1568 5.1568 8.4492 8.4492 12.7699 12.7699 14.4853 14.4853 k = 0.0263 0.0306-0.0000 ( 3255 PWs) bands (ev): -47.2447 -47.2447 -22.0870 -22.0870 -19.2998 -19.2998 -19.1327 -19.1327 -19.1039 -19.1039 -17.3843 -17.3843 -7.5373 -7.5373 -4.4949 -4.4949 -3.9990 -3.9990 -3.7102 -3.7102 0.1848 0.1848 0.9508 0.9508 1.7290 1.7290 5.1543 5.1543 8.4450 8.4450 12.7909 12.7909 14.4874 14.4874 k = 0.0175 0.0204-0.0000 ( 3257 PWs) bands (ev): -47.2447 -47.2447 -22.0872 -22.0872 -19.2998 -19.2998 -19.1327 -19.1327 -19.1040 -19.1040 -17.3840 -17.3840 -7.5352 -7.5352 -4.4962 -4.4962 -3.9994 -3.9994 -3.7092 -3.7092 0.1838 0.1838 0.9489 0.9489 1.7268 1.7268 5.1526 5.1526 8.4421 8.4421 12.8060 12.8060 14.4888 14.4888 k = 0.0088 0.0102-0.0000 ( 3257 PWs) bands (ev): -47.2447 -47.2447 -22.0873 -22.0873 -19.2998 -19.2998 -19.1326 -19.1326 -19.1040 -19.1040 -17.3838 -17.3838 -7.5340 -7.5340 -4.4969 -4.4969 -3.9996 -3.9996 -3.7085 -3.7085 0.1831 0.1831 0.9478 0.9478 1.7254 1.7254 5.1515 5.1515 8.4403 8.4403 12.8153 12.8153 14.4897 14.4897 k = 0.0000 0.0000 0.0000 ( 3261 PWs) bands (ev): -47.2447 -47.2447 -22.0873 -22.0873 -19.2998 -19.2998 -19.1326 -19.1326 -19.1041 -19.1041 -17.3837 -17.3837 -7.5336 -7.5336 -4.4972 -4.4972 -3.9997 -3.9997 -3.7083 -3.7083 0.1829 0.1829 0.9474 0.9474 1.7250 1.7250 5.1512 5.1512 8.4397 8.4397 12.8183 12.8183 14.4900 14.4900 k = 0.0000 0.0000 0.0000 ( 3261 PWs) bands (ev): -47.2447 -47.2447 -22.0873 -22.0873 -19.2998 -19.2998 -19.1326 -19.1326 -19.1041 -19.1041 -17.3837 -17.3837 -7.5336 -7.5336 -4.4972 -4.4972 -3.9997 -3.9997 -3.7083 -3.7083 0.1829 0.1829 0.9474 0.9474 1.7250 1.7250 5.1512 5.1512 8.4397 8.4397 12.8183 12.8183 14.4900 14.4900 k = 0.0085-0.0074 0.0073 ( 3253 PWs) bands (ev): -47.2447 -47.2447 -22.0873 -22.0873 -19.2997 -19.2996 -19.1326 -19.1324 -19.1041 -19.1041 -17.3840 -17.3840 -7.5332 -7.5332 -4.4999 -4.4992 -3.9976 -3.9968 -3.7085 -3.7085 0.1831 0.1831 0.9455 0.9461 1.7254 1.7263 5.1516 5.1516 8.4412 8.4414 12.8196 12.8201 14.4756 14.4758 k = 0.0171-0.0147 0.0147 ( 3253 PWs) bands (ev): -47.2447 -47.2447 -22.0872 -22.0872 -19.2996 -19.2995 -19.1325 -19.1322 -19.1041 -19.1041 -17.3849 -17.3848 -7.5319 -7.5319 -4.5072 -4.5057 -3.9908 -3.9891 -3.7092 -3.7092 0.1837 0.1837 0.9404 0.9416 1.7277 1.7295 5.1529 5.1529 8.4460 8.4465 12.8240 12.8249 14.4377 14.4382 k = 0.0256-0.0221 0.0220 ( 3253 PWs) bands (ev): -47.2447 -47.2447 -22.0870 -22.0869 -19.2994 -19.2992 -19.1322 -19.1318 -19.1041 -19.1041 -17.3863 -17.3861 -7.5299 -7.5298 -4.5185 -4.5164 -3.9796 -3.9771 -3.7102 -3.7102 0.1847 0.1847 0.9321 0.9339 1.7316 1.7343 5.1551 5.1551 8.4541 8.4547 12.8312 12.8326 14.3854 14.3862 k = 0.0342-0.0294 0.0294 ( 3241 PWs) bands (ev): -47.2447 -47.2447 -22.0867 -22.0866 -19.2990 -19.2988 -19.1318 -19.1313 -19.1042 -19.1041 -17.3882 -17.3879 -7.5271 -7.5270 -4.5332 -4.5305 -3.9646 -3.9615 -3.7117 -3.7116 0.1860 0.1860 0.9209 0.9232 1.7373 1.7408 5.1581 5.1581 8.4654 8.4662 12.8410 12.8430 14.3254 14.3264 k = 0.0427-0.0368 0.0367 ( 3247 PWs) bands (ev): -47.2447 -47.2447 -22.0863 -22.0863 -19.2987 -19.2984 -19.1313 -19.1307 -19.1042 -19.1042 -17.3906 -17.3903 -7.5236 -7.5235 -4.5505 -4.5474 -3.9467 -3.9431 -3.7135 -3.7135 0.1877 0.1878 0.9071 0.9098 1.7445 1.7487 5.1619 5.1619 8.4797 8.4807 12.8532 12.8556 14.2615 14.2629 k = 0.0513-0.0441 0.0441 ( 3247 PWs) bands (ev): -47.2447 -47.2447 -22.0859 -22.0858 -19.2982 -19.2979 -19.1307 -19.1301 -19.1043 -19.1043 -17.3935 -17.3931 -7.5194 -7.5193 -4.5697 -4.5663 -3.9266 -3.9225 -3.7158 -3.7158 0.1898 0.1898 0.8908 0.8939 1.7531 1.7580 5.1666 5.1666 8.4971 8.4983 12.8671 12.8702 14.1961 14.1977 k = 0.0598-0.0515 0.0514 ( 3249 PWs) bands (ev): -47.2447 -47.2447 -22.0853 -22.0852 -19.2976 -19.2974 -19.1299 -19.1293 -19.1044 -19.1044 -17.3969 -17.3964 -7.5147 -7.5146 -4.5902 -4.5865 -3.9048 -3.9003 -3.7185 -3.7185 0.1923 0.1923 0.8723 0.8759 1.7629 1.7686 5.1720 5.1720 8.5173 8.5187 12.8822 12.8859 14.1305 14.1325 k = 0.0684-0.0588 0.0587 ( 3249 PWs) bands (ev): -47.2447 -47.2447 -22.0847 -22.0846 -19.2970 -19.2969 -19.1291 -19.1285 -19.1045 -19.1045 -17.4007 -17.4002 -7.5095 -7.5094 -4.6113 -4.6075 -3.8819 -3.8771 -3.7216 -3.7215 0.1951 0.1951 0.8521 0.8560 1.7739 1.7802 5.1783 5.1783 8.5402 8.5418 12.8977 12.9021 14.0659 14.0683 k = 0.0769-0.0662 0.0661 ( 3243 PWs) bands (ev): -47.2447 -47.2447 -22.0840 -22.0839 -19.2963 -19.2962 -19.1280 -19.1276 -19.1046 -19.1046 -17.4049 -17.4043 -7.5040 -7.5039 -4.6327 -4.6287 -3.8584 -3.8534 -3.7250 -3.7249 0.1983 0.1983 0.8305 0.8346 1.7860 1.7927 5.1852 5.1852 8.5658 8.5675 12.9126 12.9177 14.0030 14.0058 k = 0.0855-0.0735 0.0734 ( 3251 PWs) bands (ev): -47.2447 -47.2447 -22.0832 -22.0831 -19.2957 -19.2955 -19.1270 -19.1267 -19.1048 -19.1048 -17.4094 -17.4088 -7.4983 -7.4981 -4.6539 -4.6498 -3.8349 -3.8296 -3.7288 -3.7287 0.2018 0.2019 0.8077 0.8120 1.7988 1.8061 5.1929 5.1929 8.5937 8.5956 12.9256 12.9314 13.9427 13.9459 k = 0.0940-0.0809 0.0808 ( 3255 PWs) bands (ev): -47.2447 -47.2447 -22.0823 -22.0822 -19.2952 -19.2947 -19.1258 -19.1257 -19.1050 -19.1050 -17.4142 -17.4137 -7.4924 -7.4923 -4.6745 -4.6703 -3.8115 -3.8059 -3.7329 -3.7327 0.2057 0.2057 0.7841 0.7887 1.8125 1.8202 5.2012 5.2012 8.6239 8.6259 12.9354 12.9419 13.8854 13.8889 k = 0.1026-0.0882 0.0881 ( 3259 PWs) bands (ev): -47.2447 -47.2447 -22.0814 -22.0812 -19.2947 -19.2938 -19.1247 -19.1246 -19.1052 -19.1052 -17.4194 -17.4188 -7.4866 -7.4864 -4.6942 -4.6900 -3.7886 -3.7829 -3.7372 -3.7370 0.2099 0.2099 0.7601 0.7648 1.8268 1.8349 5.2102 5.2102 8.6561 8.6583 12.9403 12.9475 13.8314 13.8351 k = 0.1111-0.0956 0.0955 ( 3253 PWs) bands (ev): -47.2447 -47.2447 -22.0803 -22.0802 -19.2941 -19.2929 -19.1237 -19.1232 -19.1053 -19.1053 -17.4247 -17.4241 -7.4809 -7.4808 -4.7127 -4.7085 -3.7670 -3.7611 -3.7414 -3.7411 0.2144 0.2145 0.7360 0.7409 1.8417 1.8501 5.2197 5.2198 8.6903 8.6926 12.9387 12.9465 13.7804 13.7841 k = 0.1197-0.1029 0.1028 ( 3257 PWs) bands (ev): -47.2446 -47.2446 -22.0792 -22.0790 -19.2936 -19.2920 -19.1228 -19.1218 -19.1055 -19.1055 -17.4302 -17.4296 -7.4756 -7.4754 -4.7299 -4.7256 -3.7519 -3.7493 -3.7399 -3.7367 0.2193 0.2193 0.7122 0.7172 1.8570 1.8657 5.2299 5.2299 8.7261 8.7285 12.9294 12.9376 13.7315 13.7349 k = 0.1282-0.1103 0.1101 ( 3253 PWs) bands (ev): -47.2446 -47.2446 -22.0780 -22.0778 -19.2932 -19.2910 -19.1218 -19.1204 -19.1057 -19.1056 -17.4358 -17.4352 -7.4707 -7.4706 -4.7454 -4.7412 -3.7540 -3.7534 -3.7228 -3.7175 0.2244 0.2245 0.6890 0.6940 1.8727 1.8817 5.2405 5.2405 8.7634 8.7660 12.9113 12.9198 13.6827 13.6855 k = 0.1368-0.1177 0.1175 ( 3251 PWs) bands (ev): -47.2446 -47.2446 -22.0767 -22.0765 -19.2929 -19.2901 -19.1210 -19.1190 -19.1058 -19.1058 -17.4415 -17.4409 -7.4664 -7.4663 -4.7591 -4.7549 -3.7591 -3.7588 -3.7043 -3.6987 0.2299 0.2300 0.6666 0.6717 1.8887 1.8980 5.2516 5.2516 8.8021 8.8047 12.8842 12.8926 13.6314 13.6334 k = 0.1453-0.1250 0.1248 ( 3243 PWs) bands (ev): -47.2446 -47.2446 -22.0753 -22.0751 -19.2925 -19.2892 -19.1202 -19.1175 -19.1060 -19.1059 -17.4472 -17.4466 -7.4629 -7.4629 -4.7709 -4.7667 -3.7648 -3.7646 -3.6869 -3.6812 0.2357 0.2357 0.6455 0.6507 1.9050 1.9145 5.2631 5.2632 8.8420 8.8447 12.8482 12.8564 13.5754 13.5766 k = 0.1539-0.1324 0.1322 ( 3243 PWs) bands (ev): -47.2446 -47.2446 -22.0739 -22.0737 -19.2924 -19.2883 -19.1196 -19.1162 -19.1061 -19.1060 -17.4528 -17.4523 -7.4603 -7.4603 -4.7805 -4.7763 -3.7708 -3.7707 -3.6711 -3.6652 0.2417 0.2417 0.6258 0.6311 1.9214 1.9312 5.2750 5.2751 8.8828 8.8856 12.8042 12.8120 13.5135 13.5139 k = 0.1624-0.1397 0.1395 ( 3247 PWs) bands (ev): -47.2446 -47.2446 -22.0724 -22.0721 -19.2923 -19.2875 -19.1191 -19.1151 -19.1062 -19.1061 -17.4584 -17.4579 -7.4588 -7.4587 -4.7880 -4.7838 -3.7771 -3.7769 -3.6569 -3.6509 0.2479 0.2480 0.6078 0.6132 1.9380 1.9480 5.2872 5.2873 8.9245 8.9273 12.7530 12.7602 13.4457 13.4461 k = 0.1710-0.1471 0.1469 ( 3255 PWs) bands (ev): -47.2446 -47.2446 -22.0708 -22.0705 -19.2923 -19.2868 -19.1189 -19.1141 -19.1063 -19.1061 -17.4638 -17.4634 -7.4583 -7.4583 -4.7931 -4.7890 -3.7835 -3.7834 -3.6444 -3.6385 0.2544 0.2545 0.5919 0.5974 1.9546 1.9647 5.2997 5.2997 8.9669 8.9698 12.6956 12.7023 13.3735 13.3745 k = 0.1795-0.1544 0.1542 ( 3253 PWs) bands (ev): -47.2446 -47.2446 -22.0691 -22.0688 -19.2924 -19.2860 -19.1187 -19.1132 -19.1063 -19.1060 -17.4690 -17.4687 -7.4591 -7.4591 -4.7957 -4.7917 -3.7901 -3.7900 -3.6338 -3.6278 0.2611 0.2612 0.5782 0.5838 1.9711 1.9815 5.3124 5.3124 9.0099 9.0128 12.6329 12.6390 13.2988 13.3003 k = 0.1881-0.1618 0.1615 ( 3261 PWs) bands (ev): -47.2446 -47.2446 -22.0673 -22.0670 -19.2927 -19.2854 -19.1189 -19.1126 -19.1064 -19.1059 -17.4740 -17.4738 -7.4613 -7.4612 -4.7960 -4.7920 -3.7968 -3.7967 -3.6252 -3.6192 0.2680 0.2681 0.5670 0.5726 1.9875 1.9981 5.3252 5.3252 9.0533 9.0562 12.5657 12.5712 13.2233 13.2253 k = 0.1966-0.1691 0.1689 ( 3257 PWs) bands (ev): -47.2445 -47.2445 -22.0655 -22.0652 -19.2930 -19.2848 -19.1192 -19.1122 -19.1063 -19.1055 -17.4787 -17.4785 -7.4648 -7.4647 -4.7938 -4.7898 -3.8037 -3.8036 -3.6185 -3.6125 0.2751 0.2752 0.5585 0.5642 2.0038 2.0145 5.3382 5.3382 9.0970 9.0999 12.4947 12.4996 13.1483 13.1507 k = 0.2052-0.1765 0.1762 ( 3261 PWs) bands (ev): -47.2445 -47.2445 -22.0636 -22.0633 -19.2934 -19.2844 -19.1198 -19.1121 -19.1062 -19.1051 -17.4831 -17.4830 -7.4697 -7.4696 -4.7891 -4.7852 -3.8106 -3.8105 -3.6137 -3.6078 0.2824 0.2825 0.5527 0.5585 2.0199 2.0307 5.3512 5.3512 9.1409 9.1439 12.4203 12.4247 13.0748 13.0775 k = 0.2137-0.1838 0.1836 ( 3257 PWs) bands (ev): -47.2445 -47.2445 -22.0617 -22.0614 -19.2939 -19.2840 -19.1205 -19.1122 -19.1061 -19.1047 -17.4871 -17.4871 -7.4761 -7.4759 -4.7820 -4.7782 -3.8176 -3.8175 -3.6110 -3.6050 0.2899 0.2900 0.5499 0.5557 2.0357 2.0466 5.3643 5.3643 9.1850 9.1880 12.3432 12.3470 13.0036 13.0065 k = 0.2223-0.1912 0.1909 ( 3261 PWs) bands (ev): -47.2445 -47.2445 -22.0597 -22.0594 -19.2946 -19.2837 -19.1215 -19.1125 -19.1061 -19.1043 -17.4909 -17.4908 -7.4839 -7.4837 -4.7726 -4.7688 -3.8247 -3.8246 -3.6102 -3.6043 0.2975 0.2975 0.5500 0.5560 2.0510 2.0622 5.3773 5.3773 9.2291 9.2321 12.2637 12.2671 12.9350 12.9381 k = 0.2308-0.1985 0.1983 ( 3261 PWs) bands (ev): -47.2445 -47.2445 -22.0577 -22.0573 -19.2954 -19.2835 -19.1227 -19.1129 -19.1060 -19.1040 -17.4942 -17.4940 -7.4930 -7.4928 -4.7610 -4.7572 -3.8317 -3.8317 -3.6113 -3.6054 0.3052 0.3053 0.5533 0.5593 2.0660 2.0772 5.3903 5.3903 9.2733 9.2762 12.1823 12.1853 12.8693 12.8726 k = 0.2394-0.2059 0.2056 ( 3261 PWs) bands (ev): -47.2445 -47.2445 -22.0555 -22.0552 -19.2963 -19.2834 -19.1241 -19.1134 -19.1060 -19.1038 -17.4972 -17.4968 -7.5036 -7.5033 -4.7471 -4.7434 -3.8388 -3.8387 -3.6142 -3.6084 0.3130 0.3131 0.5597 0.5659 2.0804 2.0917 5.4031 5.4031 9.3173 9.3202 12.0995 12.1022 12.8067 12.8102 k = 0.2479-0.2132 0.2129 ( 3259 PWs) bands (ev): -47.2445 -47.2445 -22.0534 -22.0530 -19.2972 -19.2835 -19.1256 -19.1140 -19.1060 -19.1037 -17.4996 -17.4992 -7.5154 -7.5151 -4.7313 -4.7276 -3.8459 -3.8458 -3.6190 -3.6132 0.3209 0.3209 0.5693 0.5756 2.0942 2.1057 5.4158 5.4158 9.3613 9.3641 12.0157 12.0181 12.7473 12.7508 k = 0.2565-0.2206 0.2203 ( 3263 PWs) bands (ev): -47.2444 -47.2444 -22.0512 -22.0508 -19.2984 -19.2837 -19.1273 -19.1148 -19.1061 -19.1038 -17.5016 -17.5011 -7.5285 -7.5281 -4.7135 -4.7099 -3.8529 -3.8528 -3.6254 -3.6197 0.3288 0.3289 0.5820 0.5884 2.1073 2.1189 5.4282 5.4283 9.4052 9.4079 11.9312 11.9334 12.6908 12.6943 k = 0.2650-0.2280 0.2276 ( 3267 PWs) bands (ev): -47.2444 -47.2444 -22.0490 -22.0486 -19.2996 -19.2841 -19.1292 -19.1156 -19.1062 -19.1039 -17.5032 -17.5025 -7.5427 -7.5423 -4.6941 -4.6905 -3.8599 -3.8598 -3.6333 -3.6277 0.3368 0.3368 0.5978 0.6043 2.1197 2.1314 5.4405 5.4405 9.4489 9.4516 11.8466 11.8486 12.6373 12.6408 k = 0.2736-0.2353 0.2350 ( 3255 PWs) bands (ev): -47.2444 -47.2444 -22.0468 -22.0464 -19.3008 -19.2845 -19.1311 -19.1165 -19.1062 -19.1041 -17.5042 -17.5035 -7.5578 -7.5574 -4.6731 -4.6696 -3.8668 -3.8667 -3.6427 -3.6372 0.3448 0.3448 0.6166 0.6233 2.1312 2.1430 5.4524 5.4525 9.4926 9.4951 11.7621 11.7639 12.5867 12.5901 k = 0.2821-0.2427 0.2423 ( 3259 PWs) bands (ev): -47.2444 -47.2444 -22.0445 -22.0441 -19.3022 -19.2851 -19.1333 -19.1177 -19.1064 -19.1044 -17.5048 -17.5040 -7.5739 -7.5735 -4.6507 -4.6473 -3.8736 -3.8735 -3.6535 -3.6480 0.3527 0.3528 0.6384 0.6452 2.1419 2.1537 5.4641 5.4641 9.5361 9.5386 11.6781 11.6797 12.5387 12.5420 k = 0.2907-0.2500 0.2496 ( 3263 PWs) bands (ev): -47.2444 -47.2444 -22.0422 -22.0418 -19.3037 -19.2859 -19.1355 -19.1190 -19.1065 -19.1047 -17.5050 -17.5041 -7.5908 -7.5903 -4.6272 -4.6238 -3.8803 -3.8802 -3.6654 -3.6600 0.3607 0.3607 0.6629 0.6699 2.1515 2.1635 5.4754 5.4754 9.5796 9.5820 11.5948 11.5964 12.4932 12.4963 k = 0.2992-0.2574 0.2570 ( 3269 PWs) bands (ev): -47.2444 -47.2444 -22.0400 -22.0396 -19.3053 -19.2869 -19.1379 -19.1204 -19.1067 -19.1052 -17.5048 -17.5038 -7.6082 -7.6078 -4.6028 -4.5994 -3.8868 -3.8868 -3.6783 -3.6730 0.3685 0.3685 0.6901 0.6972 2.1601 2.1721 5.4863 5.4863 9.6231 9.6253 11.5126 11.5140 12.4501 12.4531 k = 0.3078-0.2647 0.2643 ( 3269 PWs) bands (ev): -47.2444 -47.2444 -22.0377 -22.0373 -19.3070 -19.2880 -19.1402 -19.1220 -19.1069 -19.1056 -17.5041 -17.5030 -7.6262 -7.6258 -4.5775 -4.5741 -3.8933 -3.8932 -3.6921 -3.6868 0.3762 0.3763 0.7199 0.7272 2.1676 2.1797 5.4969 5.4969 9.6666 9.6687 11.4316 11.4330 12.4093 12.4120 k = 0.3163-0.2721 0.2717 ( 3269 PWs) bands (ev): -47.2444 -47.2444 -22.0354 -22.0350 -19.3087 -19.2893 -19.1426 -19.1237 -19.1071 -19.1060 -17.5030 -17.5019 -7.6446 -7.6441 -4.5517 -4.5483 -3.8995 -3.8994 -3.7066 -3.7014 0.3839 0.3839 0.7520 0.7594 2.1739 2.1860 5.5070 5.5071 9.7101 9.7122 11.3522 11.3536 12.3704 12.3729 k = 0.3249-0.2794 0.2790 ( 3269 PWs) bands (ev): -47.2443 -47.2443 -22.0332 -22.0328 -19.3104 -19.2908 -19.1450 -19.1256 -19.1073 -19.1064 -17.5016 -17.5005 -7.6632 -7.6627 -4.5255 -4.5221 -3.9056 -3.9055 -3.7217 -3.7166 0.3914 0.3914 0.7862 0.7938 2.1789 2.1911 5.5167 5.5168 9.7539 9.7558 11.2745 11.2758 12.3335 12.3356 k = 0.3334-0.2868 0.2864 ( 3267 PWs) bands (ev): -47.2443 -47.2443 -22.0310 -22.0306 -19.3122 -19.2924 -19.1474 -19.1275 -19.1075 -19.1068 -17.4999 -17.4987 -7.6819 -7.6814 -4.4990 -4.4957 -3.9115 -3.9114 -3.7372 -3.7322 0.3987 0.3988 0.8225 0.8302 2.1827 2.1948 5.5260 5.5261 9.7979 9.7997 11.1988 11.2001 12.2981 12.2998 k = 0.3420-0.2941 0.2937 ( 3259 PWs) bands (ev): -47.2443 -47.2443 -22.0288 -22.0284 -19.3140 -19.2941 -19.1496 -19.1295 -19.1077 -19.1071 -17.4979 -17.4967 -7.7006 -7.7001 -4.4726 -4.4693 -3.9171 -3.9170 -3.7529 -3.7481 0.4059 0.4060 0.8604 0.8683 2.1850 2.1972 5.5349 5.5349 9.8422 9.8439 11.1252 11.1265 12.2641 12.2654 k = 0.3505-0.3015 0.3010 ( 3257 PWs) bands (ev): -47.2443 -47.2443 -22.0267 -22.0263 -19.3158 -19.2960 -19.1519 -19.1317 -19.1079 -19.1074 -17.4957 -17.4944 -7.7191 -7.7186 -4.4464 -4.4431 -3.9226 -3.9225 -3.7688 -3.7641 0.4129 0.4129 0.8998 0.9078 2.1860 2.1981 5.5432 5.5433 9.8870 9.8885 11.0540 11.0553 12.2311 12.2319 k = 0.3591-0.3088 0.3084 ( 3255 PWs) bands (ev): -47.2443 -47.2443 -22.0246 -22.0242 -19.3176 -19.2981 -19.1540 -19.1339 -19.1081 -19.1077 -17.4932 -17.4920 -7.7373 -7.7368 -4.4205 -4.4172 -3.9278 -3.9277 -3.7847 -3.7800 0.4196 0.4196 0.9405 0.9486 2.1855 2.1976 5.5511 5.5511 9.9322 9.9336 10.9853 10.9866 12.1985 12.1988 k = 0.3676-0.3162 0.3157 ( 3249 PWs) bands (ev): -47.2443 -47.2443 -22.0226 -22.0222 -19.3194 -19.3002 -19.1559 -19.1361 -19.1083 -19.1080 -17.4907 -17.4894 -7.7551 -7.7546 -4.3951 -4.3918 -3.9328 -3.9326 -3.8004 -3.7959 0.4260 0.4261 0.9822 0.9904 2.1836 2.1956 5.5586 5.5586 9.9781 9.9793 10.9194 10.9206 12.1653 12.1657 k = 0.3762-0.3236 0.3231 ( 3249 PWs) bands (ev): -47.2442 -47.2442 -22.0207 -22.0203 -19.3211 -19.3025 -19.1578 -19.1384 -19.1085 -19.1083 -17.4880 -17.4867 -7.7724 -7.7719 -4.3704 -4.3671 -3.9375 -3.9373 -3.8159 -3.8115 0.4322 0.4322 1.0245 1.0328 2.1802 2.1921 5.5655 5.5655 10.0245 10.0256 10.8564 10.8576 12.1302 12.1314 k = 0.3847-0.3309 0.3304 ( 3254 PWs) bands (ev): -47.2442 -47.2442 -22.0188 -22.0185 -19.3229 -19.3049 -19.1595 -19.1407 -19.1087 -19.1086 -17.4852 -17.4840 -7.7891 -7.7886 -4.3465 -4.3433 -3.9419 -3.9418 -3.8310 -3.8267 0.4381 0.4381 1.0673 1.0756 2.1753 2.1871 5.5719 5.5720 10.0717 10.0726 10.7965 10.7977 12.0918 12.0938 k = 0.3933-0.3383 0.3378 ( 3248 PWs) bands (ev): -47.2442 -47.2442 -22.0171 -22.0168 -19.3245 -19.3073 -19.1609 -19.1430 -19.1088 -19.1088 -17.4824 -17.4812 -7.8049 -7.8045 -4.3235 -4.3204 -3.9461 -3.9460 -3.8456 -3.8414 0.4436 0.4436 1.1102 1.1185 2.1691 2.1806 5.5779 5.5779 10.1197 10.1204 10.7400 10.7412 12.0472 12.0501 k = 0.4018-0.3456 0.3451 ( 3236 PWs) bands (ev): -47.2442 -47.2442 -22.0154 -22.0151 -19.3260 -19.3097 -19.1622 -19.1451 -19.1090 -19.1090 -17.4796 -17.4785 -7.8200 -7.8196 -4.3016 -4.2985 -3.9500 -3.9498 -3.8596 -3.8556 0.4488 0.4488 1.1528 1.1612 2.1615 2.1728 5.5834 5.5834 10.1684 10.1690 10.6870 10.6883 11.9936 11.9970 k = 0.4104-0.3530 0.3524 ( 3236 PWs) bands (ev): -47.2442 -47.2442 -22.0139 -22.0136 -19.3274 -19.3121 -19.1633 -19.1473 -19.1092 -19.1091 -17.4769 -17.4759 -7.8341 -7.8338 -4.2810 -4.2779 -3.9536 -3.9534 -3.8729 -3.8690 0.4537 0.4537 1.1949 1.2032 2.1527 2.1637 5.5884 5.5884 10.2178 10.2182 10.6379 10.6392 11.9288 11.9322 k = 0.4189-0.3603 0.3598 ( 3240 PWs) bands (ev): -47.2442 -47.2442 -22.0124 -22.0122 -19.3287 -19.3146 -19.1643 -19.1494 -19.1094 -19.1093 -17.4743 -17.4733 -7.8473 -7.8469 -4.2616 -4.2587 -3.9570 -3.9568 -3.8854 -3.8818 0.4581 0.4581 1.2361 1.2442 2.1427 2.1534 5.5929 5.5929 10.2678 10.2679 10.5929 10.5942 11.8540 11.8570 k = 0.4275-0.3677 0.3671 ( 3244 PWs) bands (ev): -47.2442 -47.2442 -22.0111 -22.0109 -19.3298 -19.3170 -19.1650 -19.1515 -19.1096 -19.1095 -17.4718 -17.4709 -7.8593 -7.8590 -4.2437 -4.2409 -3.9600 -3.9598 -3.8971 -3.8936 0.4622 0.4622 1.2758 1.2837 2.1319 2.1421 5.5970 5.5970 10.3176 10.3178 10.5525 10.5539 11.7726 11.7750 k = 0.4360-0.3750 0.3745 ( 3242 PWs) bands (ev): -47.2442 -47.2442 -22.0099 -22.0097 -19.3308 -19.3192 -19.1656 -19.1534 -19.1097 -19.1096 -17.4695 -17.4687 -7.8702 -7.8699 -4.2273 -4.2246 -3.9627 -3.9625 -3.9078 -3.9046 0.4658 0.4658 1.3137 1.3213 2.1204 2.1301 5.6006 5.6006 10.3661 10.3667 10.5179 10.5197 11.6886 11.6904 k = 0.4446-0.3824 0.3818 ( 3244 PWs) bands (ev): -47.2442 -47.2442 -22.0089 -22.0087 -19.3316 -19.3214 -19.1659 -19.1552 -19.1098 -19.1097 -17.4675 -17.4668 -7.8798 -7.8796 -4.2126 -4.2100 -3.9651 -3.9649 -3.9174 -3.9145 0.4690 0.4690 1.3492 1.3563 2.1087 2.1176 5.6037 5.6037 10.4079 10.4095 10.4939 10.4964 11.6052 11.6065 k = 0.4531-0.3897 0.3892 ( 3246 PWs) bands (ev): -47.2442 -47.2442 -22.0080 -22.0078 -19.3322 -19.3235 -19.1661 -19.1569 -19.1099 -19.1098 -17.4656 -17.4650 -7.8882 -7.8880 -4.1996 -4.1973 -3.9672 -3.9670 -3.9259 -3.9233 0.4718 0.4718 1.3817 1.3882 2.0972 2.1052 5.6064 5.6064 10.4237 10.4253 10.5009 10.5033 11.5248 11.5258 k = 0.4617-0.3971 0.3965 ( 3244 PWs) bands (ev): -47.2442 -47.2442 -22.0072 -22.0070 -19.3325 -19.3253 -19.1661 -19.1585 -19.1100 -19.1099 -17.4640 -17.4635 -7.8952 -7.8950 -4.1885 -4.1864 -3.9690 -3.9687 -3.9331 -3.9309 0.4741 0.4742 1.4106 1.4164 2.0863 2.0933 5.6086 5.6086 10.4122 10.4129 10.5391 10.5404 11.4497 11.4504 k = 0.4702-0.4044 0.4038 ( 3242 PWs) bands (ev): -47.2442 -47.2442 -22.0066 -22.0065 -19.3327 -19.3270 -19.1659 -19.1599 -19.1100 -19.1100 -17.4627 -17.4623 -7.9009 -7.9007 -4.1793 -4.1776 -3.9704 -3.9702 -3.9390 -3.9372 0.4760 0.4760 1.4352 1.4400 2.0767 2.0824 5.6103 5.6103 10.3966 10.3969 10.5824 10.5832 11.3822 11.3827 k = 0.4788-0.4118 0.4112 ( 3246 PWs) bands (ev): -47.2442 -47.2442 -22.0061 -22.0060 -19.3326 -19.3286 -19.1655 -19.1613 -19.1101 -19.1100 -17.4617 -17.4614 -7.9052 -7.9051 -4.1722 -4.1710 -3.9715 -3.9713 -3.9434 -3.9421 0.4774 0.4774 1.4547 1.4582 2.0690 2.0733 5.6116 5.6116 10.3835 10.3837 10.6219 10.6224 11.3255 11.3258 k = 0.4873-0.4191 0.4185 ( 3244 PWs) bands (ev): -47.2442 -47.2442 -22.0058 -22.0057 -19.3322 -19.3298 -19.1650 -19.1624 -19.1101 -19.1101 -17.4610 -17.4608 -7.9080 -7.9079 -4.1673 -4.1666 -3.9723 -3.9722 -3.9463 -3.9455 0.4784 0.4784 1.4684 1.4706 2.0638 2.0665 5.6125 5.6125 10.3745 10.3745 10.6525 10.6528 11.2836 11.2838 k = 0.4873-0.4191 0.4185 ( 3244 PWs) bands (ev): -47.2442 -47.2442 -22.0058 -22.0057 -19.3322 -19.3298 -19.1650 -19.1624 -19.1101 -19.1101 -17.4610 -17.4608 -7.9080 -7.9079 -4.1673 -4.1666 -3.9723 -3.9722 -3.9463 -3.9455 0.4784 0.4784 1.4684 1.4706 2.0638 2.0665 5.6125 5.6125 10.3745 10.3745 10.6525 10.6528 11.2836 11.2838 k = 0.4876-0.4068 0.4134 ( 3249 PWs) bands (ev): -47.2442 -47.2442 -22.0060 -22.0059 -19.3325 -19.3290 -19.1654 -19.1616 -19.1101 -19.1100 -17.4614 -17.4612 -7.9061 -7.9060 -4.1706 -4.1695 -3.9717 -3.9715 -3.9444 -3.9433 0.4776 0.4777 1.4593 1.4625 2.0671 2.0709 5.6118 5.6118 10.3775 10.3776 10.6335 10.6339 11.3119 11.3121 k = 0.4879-0.3944 0.4083 ( 3247 PWs) bands (ev): -47.2442 -47.2442 -22.0064 -22.0063 -19.3326 -19.3279 -19.1656 -19.1607 -19.1100 -19.1100 -17.4619 -17.4616 -7.9033 -7.9032 -4.1753 -4.1739 -3.9708 -3.9706 -3.9418 -3.9403 0.4765 0.4765 1.4469 1.4510 2.0715 2.0764 5.6105 5.6105 10.3771 10.3773 10.6116 10.6123 11.3500 11.3504 k = 0.4883-0.3820 0.4032 ( 3245 PWs) bands (ev): -47.2442 -47.2442 -22.0070 -22.0069 -19.3325 -19.3267 -19.1657 -19.1597 -19.1099 -19.1098 -17.4626 -17.4622 -7.8997 -7.8996 -4.1812 -4.1796 -3.9695 -3.9693 -3.9384 -3.9366 0.4748 0.4749 1.4316 1.4364 2.0769 2.0827 5.6086 5.6086 10.3732 10.3736 10.5883 10.5892 11.3966 11.3970 k = 0.4886-0.3697 0.3981 ( 3243 PWs) bands (ev): -47.2442 -47.2442 -22.0077 -22.0076 -19.3322 -19.3255 -19.1657 -19.1585 -19.1097 -19.1097 -17.4633 -17.4628 -7.8953 -7.8951 -4.1886 -4.1867 -3.9679 -3.9677 -3.9341 -3.9321 0.4728 0.4728 1.4136 1.4191 2.0830 2.0896 5.6062 5.6063 10.3660 10.3665 10.5648 10.5660 11.4504 11.4508 k = 0.4889-0.3573 0.3931 ( 3239 PWs) bands (ev): -47.2442 -47.2442 -22.0086 -22.0085 -19.3318 -19.3240 -19.1656 -19.1573 -19.1095 -19.1095 -17.4641 -17.4636 -7.8900 -7.8898 -4.1973 -4.1952 -3.9660 -3.9657 -3.9290 -3.9268 0.4702 0.4703 1.3932 1.3993 2.0895 2.0968 5.6033 5.6033 10.3556 10.3563 10.5419 10.5433 11.5103 11.5108 k = 0.4892-0.3449 0.3880 ( 3236 PWs) bands (ev): -47.2442 -47.2442 -22.0096 -22.0095 -19.3313 -19.3225 -19.1653 -19.1560 -19.1093 -19.1093 -17.4650 -17.4644 -7.8840 -7.8837 -4.2073 -4.2051 -3.9637 -3.9634 -3.9231 -3.9207 0.4673 0.4673 1.3708 1.3773 2.0962 2.1042 5.5999 5.6000 10.3424 10.3434 10.5201 10.5219 11.5755 11.5761 k = 0.4895-0.3326 0.3829 ( 3236 PWs) bands (ev): -47.2442 -47.2442 -22.0108 -22.0106 -19.3306 -19.3209 -19.1648 -19.1547 -19.1090 -19.1090 -17.4660 -17.4654 -7.8771 -7.8769 -4.2187 -4.2164 -3.9611 -3.9608 -3.9164 -3.9138 0.4639 0.4640 1.3467 1.3535 2.1028 2.1113 5.5960 5.5961 10.3268 10.3280 10.4999 10.5020 11.6454 11.6460 k = 0.4898-0.3202 0.3778 ( 3239 PWs) bands (ev): -47.2442 -47.2442 -22.0121 -22.0119 -19.3298 -19.3192 -19.1643 -19.1532 -19.1088 -19.1087 -17.4671 -17.4664 -7.8695 -7.8692 -4.2314 -4.2291 -3.9582 -3.9580 -3.9089 -3.9062 0.4602 0.4602 1.3211 1.3282 2.1092 2.1182 5.5917 5.5917 10.3091 10.3106 10.4814 10.4839 11.7191 11.7196 k = 0.4902-0.3078 0.3727 ( 3233 PWs) bands (ev): -47.2442 -47.2442 -22.0135 -22.0133 -19.3288 -19.3174 -19.1636 -19.1517 -19.1084 -19.1083 -17.4683 -17.4675 -7.8611 -7.8608 -4.2454 -4.2430 -3.9550 -3.9548 -3.9006 -3.8978 0.4561 0.4561 1.2944 1.3017 2.1153 2.1246 5.5869 5.5869 10.2899 10.2915 10.4649 10.4677 11.7959 11.7964 k = 0.4905-0.2955 0.3676 ( 3233 PWs) bands (ev): -47.2442 -47.2442 -22.0151 -22.0148 -19.3278 -19.3156 -19.1628 -19.1502 -19.1081 -19.1079 -17.4695 -17.4686 -7.8520 -7.8517 -4.2606 -4.2583 -3.9516 -3.9514 -3.8915 -3.8887 0.4516 0.4516 1.2667 1.2741 2.1209 2.1304 5.5818 5.5818 10.2693 10.2710 10.4504 10.4534 11.8751 11.8754 k = 0.4908-0.2831 0.3625 ( 3239 PWs) bands (ev): -47.2442 -47.2442 -22.0167 -22.0165 -19.3266 -19.3137 -19.1618 -19.1486 -19.1078 -19.1075 -17.4708 -17.4699 -7.8422 -7.8419 -4.2770 -4.2747 -3.9479 -3.9478 -3.8818 -3.8789 0.4468 0.4468 1.2383 1.2458 2.1258 2.1355 5.5762 5.5762 10.2477 10.2495 10.4381 10.4412 11.9559 11.9560 k = 0.4911-0.2707 0.3574 ( 3239 PWs) bands (ev): -47.2442 -47.2442 -22.0185 -22.0182 -19.3253 -19.3118 -19.1607 -19.1470 -19.1075 -19.1070 -17.4722 -17.4712 -7.8318 -7.8315 -4.2945 -4.2923 -3.9441 -3.9439 -3.8714 -3.8685 0.4417 0.4417 1.2094 1.2169 2.1301 2.1399 5.5704 5.5704 10.2254 10.2272 10.4279 10.4311 12.0373 12.0375 k = 0.4914-0.2583 0.3523 ( 3237 PWs) bands (ev): -47.2442 -47.2442 -22.0203 -22.0200 -19.3239 -19.3099 -19.1595 -19.1453 -19.1071 -19.1065 -17.4736 -17.4726 -7.8208 -7.8204 -4.3131 -4.3109 -3.9399 -3.9398 -3.8604 -3.8575 0.4363 0.4364 1.1802 1.1877 2.1336 2.1435 5.5643 5.5643 10.2025 10.2043 10.4199 10.4231 12.1183 12.1188 k = 0.4917-0.2460 0.3472 ( 3238 PWs) bands (ev): -47.2442 -47.2442 -22.0222 -22.0219 -19.3225 -19.3080 -19.1582 -19.1436 -19.1067 -19.1060 -17.4751 -17.4740 -7.8091 -7.8088 -4.3326 -4.3306 -3.9357 -3.9355 -3.8488 -3.8460 0.4307 0.4307 1.1509 1.1583 2.1363 2.1463 5.5579 5.5579 10.1793 10.1810 10.4140 10.4172 12.1982 12.1992 k = 0.4921-0.2336 0.3421 ( 3240 PWs) bands (ev): -47.2442 -47.2442 -22.0241 -22.0239 -19.3209 -19.3061 -19.1567 -19.1419 -19.1063 -19.1055 -17.4766 -17.4755 -7.7970 -7.7966 -4.3530 -4.3511 -3.9312 -3.9311 -3.8368 -3.8340 0.4249 0.4249 1.1216 1.1289 2.1383 2.1482 5.5513 5.5514 10.1560 10.1575 10.4102 10.4133 12.2764 12.2779 k = 0.4924-0.2212 0.3370 ( 3236 PWs) bands (ev): -47.2443 -47.2443 -22.0262 -22.0259 -19.3193 -19.3042 -19.1551 -19.1402 -19.1059 -19.1048 -17.4781 -17.4770 -7.7843 -7.7839 -4.3742 -4.3724 -3.9267 -3.9266 -3.8243 -3.8216 0.4189 0.4189 1.0924 1.0997 2.1395 2.1494 5.5446 5.5446 10.1326 10.1340 10.4085 10.4115 12.3523 12.3543 k = 0.4927-0.2089 0.3319 ( 3234 PWs) bands (ev): -47.2443 -47.2443 -22.0282 -22.0279 -19.3176 -19.3023 -19.1534 -19.1384 -19.1054 -19.1042 -17.4796 -17.4785 -7.7712 -7.7708 -4.3961 -4.3943 -3.9220 -3.9219 -3.8115 -3.8089 0.4127 0.4127 1.0636 1.0708 2.1400 2.1497 5.5378 5.5378 10.1094 10.1106 10.4086 10.4115 12.4256 12.4282 k = 0.4930-0.1965 0.3268 ( 3237 PWs) bands (ev): -47.2443 -47.2443 -22.0303 -22.0300 -19.3159 -19.3005 -19.1516 -19.1368 -19.1050 -19.1036 -17.4812 -17.4801 -7.7578 -7.7574 -4.4185 -4.4169 -3.9173 -3.9172 -3.7985 -3.7959 0.4064 0.4064 1.0352 1.0422 2.1397 2.1493 5.5309 5.5309 10.0865 10.0875 10.4106 10.4133 12.4963 12.4993 k = 0.4933-0.1841 0.3217 ( 3232 PWs) bands (ev): -47.2443 -47.2443 -22.0324 -22.0321 -19.3142 -19.2987 -19.1497 -19.1350 -19.1046 -19.1029 -17.4828 -17.4817 -7.7440 -7.7436 -4.4414 -4.4398 -3.9124 -3.9124 -3.7852 -3.7828 0.4000 0.4001 1.0074 1.0142 2.1388 2.1483 5.5240 5.5240 10.0639 10.0648 10.4143 10.4168 12.5643 12.5678 k = 0.4937-0.1718 0.3166 ( 3230 PWs) bands (ev): -47.2443 -47.2443 -22.0345 -22.0342 -19.3124 -19.2970 -19.1477 -19.1334 -19.1041 -19.1023 -17.4844 -17.4833 -7.7300 -7.7296 -4.4646 -4.4631 -3.9076 -3.9075 -3.7719 -3.7695 0.3936 0.3937 0.9803 0.9869 2.1373 2.1465 5.5170 5.5170 10.0418 10.0425 10.4195 10.4219 12.6299 12.6338 k = 0.4940-0.1594 0.3115 ( 3233 PWs) bands (ev): -47.2443 -47.2443 -22.0366 -22.0363 -19.3106 -19.2954 -19.1457 -19.1318 -19.1037 -19.1016 -17.4860 -17.4848 -7.7158 -7.7154 -4.4880 -4.4866 -3.9028 -3.9027 -3.7585 -3.7562 0.3872 0.3872 0.9539 0.9602 2.1352 2.1442 5.5101 5.5101 10.0203 10.0209 10.4260 10.4283 12.6932 12.6974 k = 0.4943-0.1470 0.3064 ( 3243 PWs) bands (ev): -47.2443 -47.2443 -22.0386 -22.0384 -19.3089 -19.2940 -19.1436 -19.1302 -19.1034 -19.1010 -17.4875 -17.4864 -7.7016 -7.7012 -4.5115 -4.5102 -3.8980 -3.8979 -3.7452 -3.7430 0.3808 0.3808 0.9283 0.9345 2.1326 2.1413 5.5033 5.5033 9.9995 10.0000 10.4338 10.4359 12.7543 12.7586 k = 0.4946-0.1347 0.3013 ( 3252 PWs) bands (ev): -47.2443 -47.2443 -22.0407 -22.0404 -19.3071 -19.2926 -19.1415 -19.1287 -19.1030 -19.1004 -17.4891 -17.4880 -7.6873 -7.6869 -4.5349 -4.5337 -3.8932 -3.8932 -3.7320 -3.7300 0.3745 0.3745 0.9037 0.9096 2.1296 2.1380 5.4966 5.4966 9.9795 9.9798 10.4426 10.4446 12.8132 12.8177 k = 0.4949-0.1223 0.2962 ( 3254 PWs) bands (ev): -47.2444 -47.2444 -22.0427 -22.0424 -19.3054 -19.2912 -19.1394 -19.1273 -19.1026 -19.0998 -17.4906 -17.4895 -7.6731 -7.6727 -4.5580 -4.5569 -3.8886 -3.8885 -3.7190 -3.7171 0.3683 0.3683 0.8802 0.8858 2.1263 2.1343 5.4901 5.4902 9.9603 9.9605 10.4523 10.4541 12.8701 12.8747 k = 0.4952-0.1099 0.2911 ( 3256 PWs) bands (ev): -47.2444 -47.2444 -22.0446 -22.0443 -19.3036 -19.2900 -19.1372 -19.1259 -19.1022 -19.0992 -17.4920 -17.4910 -7.6591 -7.6587 -4.5808 -4.5798 -3.8840 -3.8840 -3.7064 -3.7045 0.3622 0.3622 0.8577 0.8630 2.1227 2.1304 5.4838 5.4839 9.9420 9.9421 10.4627 10.4644 12.9249 12.9295 k = 0.4956-0.0975 0.2861 ( 3254 PWs) bands (ev): -47.2444 -47.2444 -22.0464 -22.0462 -19.3019 -19.2889 -19.1351 -19.1245 -19.1018 -19.0986 -17.4934 -17.4924 -7.6453 -7.6450 -4.6030 -4.6021 -3.8796 -3.8796 -3.6940 -3.6923 0.3563 0.3564 0.8364 0.8414 2.1189 2.1262 5.4778 5.4778 9.9246 9.9247 10.4735 10.4751 12.9775 12.9821 k = 0.4959-0.0852 0.2810 ( 3262 PWs) bands (ev): -47.2444 -47.2444 -22.0482 -22.0480 -19.3003 -19.2879 -19.1330 -19.1233 -19.1015 -19.0981 -17.4948 -17.4938 -7.6319 -7.6316 -4.6246 -4.6238 -3.8754 -3.8754 -3.6822 -3.6805 0.3507 0.3507 0.8163 0.8210 2.1150 2.1219 5.4720 5.4720 9.9083 9.9083 10.4847 10.4861 13.0279 13.0324 k = 0.4962-0.0728 0.2759 ( 3262 PWs) bands (ev): -47.2444 -47.2444 -22.0499 -22.0497 -19.2987 -19.2870 -19.1309 -19.1221 -19.1011 -19.0976 -17.4961 -17.4952 -7.6190 -7.6186 -4.6454 -4.6446 -3.8713 -3.8713 -3.6708 -3.6693 0.3453 0.3453 0.7975 0.8018 2.1111 2.1175 5.4665 5.4665 9.8929 9.8930 10.4960 10.4973 13.0760 13.0804 k = 0.4965-0.0604 0.2708 ( 3264 PWs) bands (ev): -47.2444 -47.2444 -22.0515 -22.0513 -19.2971 -19.2863 -19.1289 -19.1210 -19.1008 -19.0972 -17.4973 -17.4964 -7.6066 -7.6062 -4.6651 -4.6645 -3.8675 -3.8675 -3.6601 -3.6587 0.3402 0.3402 0.7800 0.7840 2.1072 2.1132 5.4613 5.4613 9.8787 9.8787 10.5072 10.5084 13.1216 13.1258 k = 0.4968-0.0481 0.2657 ( 3263 PWs) bands (ev): -47.2444 -47.2444 -22.0530 -22.0528 -19.2956 -19.2856 -19.1269 -19.1199 -19.1004 -19.0968 -17.4984 -17.4976 -7.5948 -7.5945 -4.6838 -4.6832 -3.8639 -3.8639 -3.6500 -3.6487 0.3354 0.3354 0.7639 0.7676 2.1034 2.1089 5.4565 5.4565 9.8655 9.8657 10.5182 10.5192 13.1645 13.1685 k = 0.4971-0.0357 0.2606 ( 3265 PWs) bands (ev): -47.2444 -47.2444 -22.0543 -22.0542 -19.2942 -19.2850 -19.1251 -19.1190 -19.1000 -19.0965 -17.4994 -17.4987 -7.5838 -7.5835 -4.7011 -4.7006 -3.8606 -3.8606 -3.6406 -3.6395 0.3310 0.3310 0.7492 0.7526 2.0998 2.1048 5.4521 5.4521 9.8536 9.8537 10.5288 10.5297 13.2045 13.2082 k = 0.4975-0.0233 0.2555 ( 3263 PWs) bands (ev): -47.2444 -47.2444 -22.0556 -22.0554 -19.2929 -19.2846 -19.1234 -19.1181 -19.0997 -19.0962 -17.5004 -17.4997 -7.5737 -7.5734 -4.7171 -4.7166 -3.8576 -3.8575 -3.6321 -3.6310 0.3269 0.3269 0.7360 0.7390 2.0964 2.1009 5.4481 5.4481 9.8428 9.8430 10.5387 10.5395 13.2414 13.2448 k = 0.4978-0.0110 0.2504 ( 3260 PWs) bands (ev): -47.2444 -47.2444 -22.0567 -22.0565 -19.2916 -19.2843 -19.1218 -19.1174 -19.0993 -19.0960 -17.5012 -17.5006 -7.5645 -7.5642 -4.7315 -4.7311 -3.8548 -3.8548 -3.6244 -3.6234 0.3233 0.3233 0.7243 0.7270 2.0933 2.0973 5.4445 5.4445 9.8333 9.8334 10.5479 10.5486 13.2750 13.2780 k = 0.4981 0.0014 0.2453 ( 3256 PWs) bands (ev): -47.2444 -47.2444 -22.0577 -22.0575 -19.2904 -19.2841 -19.1204 -19.1167 -19.0990 -19.0959 -17.5019 -17.5014 -7.5563 -7.5561 -4.7443 -4.7439 -3.8524 -3.8524 -3.6175 -3.6168 0.3201 0.3201 0.7142 0.7164 2.0906 2.0940 5.4414 5.4414 9.8250 9.8251 10.5563 10.5568 13.3049 13.3076 k = 0.4984 0.0138 0.2402 ( 3256 PWs) bands (ev): -47.2444 -47.2444 -22.0585 -22.0584 -19.2893 -19.2840 -19.1191 -19.1162 -19.0986 -19.0959 -17.5026 -17.5021 -7.5492 -7.5491 -4.7553 -4.7550 -3.8504 -3.8504 -3.6117 -3.6111 0.3174 0.3174 0.7055 0.7074 2.0882 2.0911 5.4387 5.4387 9.8179 9.8180 10.5635 10.5640 13.3308 13.3332 k = 0.4987 0.0261 0.2351 ( 3252 PWs) bands (ev): -47.2444 -47.2444 -22.0592 -22.0591 -19.2883 -19.2840 -19.1180 -19.1158 -19.0982 -19.0959 -17.5031 -17.5027 -7.5433 -7.5432 -4.7644 -4.7642 -3.8487 -3.8487 -3.6069 -3.6063 0.3151 0.3151 0.6985 0.7000 2.0863 2.0886 5.4365 5.4365 9.8121 9.8122 10.5697 10.5701 13.3526 13.3545 k = 0.4990 0.0385 0.2300 ( 3250 PWs) bands (ev): -47.2444 -47.2444 -22.0597 -22.0596 -19.2874 -19.2841 -19.1171 -19.1155 -19.0978 -19.0960 -17.5035 -17.5032 -7.5387 -7.5386 -4.7716 -4.7714 -3.8473 -3.8473 -3.6030 -3.6026 0.3133 0.3133 0.6930 0.6942 2.0848 2.0866 5.4347 5.4347 9.8076 9.8077 10.5746 10.5749 13.3699 13.3714 k = 0.4994 0.0509 0.2249 ( 3248 PWs) bands (ev): -47.2444 -47.2444 -22.0601 -22.0600 -19.2865 -19.2844 -19.1164 -19.1153 -19.0975 -19.0962 -17.5037 -17.5035 -7.5353 -7.5353 -4.7767 -4.7766 -3.8464 -3.8464 -3.6003 -3.6000 0.3120 0.3120 0.6892 0.6900 2.0839 2.0850 5.4335 5.4335 9.8044 9.8045 10.5781 10.5783 13.3826 13.3835 k = 0.4997 0.0633 0.2198 ( 3248 PWs) bands (ev): -47.2444 -47.2444 -22.0603 -22.0603 -19.2858 -19.2848 -19.1159 -19.1153 -19.0971 -19.0965 -17.5039 -17.5038 -7.5333 -7.5333 -4.7798 -4.7798 -3.8458 -3.8458 -3.5986 -3.5984 0.3113 0.3113 0.6869 0.6873 2.0834 2.0839 5.4327 5.4327 9.8025 9.8025 10.5803 10.5804 13.3903 13.3908 k = 0.5000 0.0756 0.2147 ( 3244 PWs) bands (ev): -47.2444 -47.2444 -22.0604 -22.0604 -19.2852 -19.2852 -19.1155 -19.1155 -19.0967 -19.0967 -17.5039 -17.5039 -7.5326 -7.5326 -4.7808 -4.7808 -3.8456 -3.8456 -3.5979 -3.5979 0.3110 0.3110 0.6863 0.6863 2.0834 2.0834 5.4325 5.4325 9.8018 9.8018 10.5811 10.5811 13.3931 13.3931 k = 0.5000 0.0756 0.2147 ( 3244 PWs) bands (ev): -47.2444 -47.2444 -22.0604 -22.0604 -19.2852 -19.2852 -19.1155 -19.1155 -19.0967 -19.0967 -17.5039 -17.5039 -7.5326 -7.5326 -4.7808 -4.7808 -3.8456 -3.8456 -3.5979 -3.5979 0.3110 0.3110 0.6863 0.6863 2.0834 2.0834 5.4325 5.4325 9.8018 9.8018 10.5811 10.5811 13.3931 13.3931 k = 0.4944 0.0804 0.2260 ( 3244 PWs) bands (ev): -47.2444 -47.2444 -22.0603 -22.0603 -19.2855 -19.2850 -19.1158 -19.1153 -19.0972 -19.0963 -17.5038 -17.5037 -7.5325 -7.5325 -4.7807 -4.7807 -3.8464 -3.8462 -3.5981 -3.5980 0.3100 0.3104 0.6865 0.6869 2.0836 2.0837 5.4317 5.4318 9.8035 9.8036 10.5826 10.5827 13.3937 13.3939 k = 0.4889 0.0852 0.2372 ( 3244 PWs) bands (ev): -47.2444 -47.2444 -22.0601 -22.0601 -19.2859 -19.2848 -19.1161 -19.1153 -19.0977 -19.0960 -17.5035 -17.5033 -7.5323 -7.5323 -4.7803 -4.7802 -3.8487 -3.8482 -3.5986 -3.5984 0.3075 0.3083 0.6873 0.6881 2.0842 2.0843 5.4293 5.4297 9.8085 9.8088 10.5874 10.5876 13.3958 13.3962 k = 0.4833 0.0900 0.2485 ( 3248 PWs) bands (ev): -47.2444 -47.2444 -22.0598 -22.0598 -19.2864 -19.2847 -19.1166 -19.1153 -19.0983 -19.0957 -17.5030 -17.5027 -7.5319 -7.5319 -4.7796 -4.7794 -3.8525 -3.8518 -3.5993 -3.5990 0.3034 0.3046 0.6888 0.6900 2.0852 2.0854 5.4256 5.4261 9.8169 9.8173 10.5954 10.5958 13.3992 13.3999 k = 0.4778 0.0947 0.2597 ( 3248 PWs) bands (ev): -47.2444 -47.2444 -22.0593 -22.0593 -19.2870 -19.2847 -19.1172 -19.1155 -19.0988 -19.0955 -17.5022 -17.5019 -7.5314 -7.5314 -4.7786 -4.7783 -3.8576 -3.8566 -3.6003 -3.5998 0.2978 0.2994 0.6910 0.6925 2.0867 2.0869 5.4204 5.4211 9.8287 9.8291 10.6066 10.6071 13.4041 13.4050 k = 0.4722 0.0995 0.2710 ( 3252 PWs) bands (ev): -47.2444 -47.2444 -22.0587 -22.0587 -19.2876 -19.2847 -19.1179 -19.1158 -19.0994 -19.0954 -17.5012 -17.5008 -7.5307 -7.5307 -4.7773 -4.7769 -3.8641 -3.8629 -3.6016 -3.6010 0.2907 0.2927 0.6938 0.6957 2.0885 2.0888 5.4137 5.4146 9.8437 9.8443 10.6210 10.6215 13.4104 13.4115 k = 0.4667 0.1043 0.2822 ( 3252 PWs) bands (ev): -47.2444 -47.2444 -22.0580 -22.0580 -19.2883 -19.2849 -19.1186 -19.1162 -19.0999 -19.0953 -17.5000 -17.4995 -7.5299 -7.5299 -4.7757 -4.7752 -3.8718 -3.8704 -3.6031 -3.6024 0.2823 0.2846 0.6972 0.6994 2.0907 2.0911 5.4057 5.4068 9.8619 9.8626 10.6384 10.6392 13.4180 13.4193 k = 0.4611 0.1091 0.2935 ( 3256 PWs) bands (ev): -47.2443 -47.2443 -22.0572 -22.0572 -19.2891 -19.2851 -19.1195 -19.1167 -19.1005 -19.0952 -17.4986 -17.4981 -7.5290 -7.5289 -4.7739 -4.7733 -3.8808 -3.8792 -3.6048 -3.6040 0.2726 0.2752 0.7012 0.7036 2.0933 2.0937 5.3964 5.3977 9.8832 9.8841 10.6590 10.6598 13.4269 13.4284 k = 0.4556 0.1138 0.3047 ( 3254 PWs) bands (ev): -47.2443 -47.2443 -22.0562 -22.0562 -19.2899 -19.2853 -19.1205 -19.1173 -19.1009 -19.0952 -17.4970 -17.4964 -7.5279 -7.5278 -4.7719 -4.7712 -3.8910 -3.8891 -3.6069 -3.6060 0.2617 0.2645 0.7057 0.7083 2.0962 2.0967 5.3858 5.3872 9.9076 9.9085 10.6826 10.6836 13.4370 13.4387 k = 0.4500 0.1186 0.3160 ( 3252 PWs) bands (ev): -47.2443 -47.2443 -22.0551 -22.0551 -19.2907 -19.2857 -19.1216 -19.1181 -19.1014 -19.0953 -17.4952 -17.4945 -7.5266 -7.5265 -4.7696 -4.7688 -3.9022 -3.9001 -3.6092 -3.6082 0.2496 0.2525 0.7107 0.7134 2.0995 2.1001 5.3740 5.3756 9.9349 9.9359 10.7092 10.7103 13.4483 13.4502 k = 0.4444 0.1234 0.3273 ( 3252 PWs) bands (ev): -47.2442 -47.2442 -22.0540 -22.0540 -19.2917 -19.2861 -19.1229 -19.1189 -19.1018 -19.0954 -17.4933 -17.4925 -7.5253 -7.5252 -4.7672 -4.7663 -3.9144 -3.9121 -3.6117 -3.6106 0.2364 0.2395 0.7160 0.7190 2.1031 2.1037 5.3611 5.3629 9.9651 9.9661 10.7387 10.7399 13.4606 13.4627 k = 0.4389 0.1282 0.3385 ( 3256 PWs) bands (ev): -47.2442 -47.2442 -22.0527 -22.0527 -19.2927 -19.2866 -19.1243 -19.1199 -19.1021 -19.0955 -17.4911 -17.4902 -7.5238 -7.5237 -4.7646 -4.7636 -3.9274 -3.9249 -3.6146 -3.6134 0.2222 0.2255 0.7218 0.7248 2.1070 2.1077 5.3471 5.3490 9.9978 9.9990 10.7711 10.7723 13.4738 13.4762 k = 0.4333 0.1330 0.3498 ( 3250 PWs) bands (ev): -47.2442 -47.2442 -22.0513 -22.0513 -19.2937 -19.2872 -19.1257 -19.1209 -19.1024 -19.0956 -17.4888 -17.4878 -7.5222 -7.5221 -4.7618 -4.7608 -3.9412 -3.9385 -3.6176 -3.6164 0.2072 0.2106 0.7279 0.7310 2.1112 2.1119 5.3321 5.3342 10.0332 10.0345 10.8061 10.8075 13.4879 13.4905 k = 0.4278 0.1377 0.3610 ( 3248 PWs) bands (ev): -47.2441 -47.2441 -22.0498 -22.0498 -19.2948 -19.2878 -19.1273 -19.1220 -19.1026 -19.0958 -17.4863 -17.4853 -7.5205 -7.5204 -4.7590 -4.7579 -3.9557 -3.9528 -3.6210 -3.6197 0.1913 0.1948 0.7342 0.7374 2.1156 2.1163 5.3162 5.3185 10.0709 10.0723 10.8438 10.8453 13.5027 13.5054 k = 0.4222 0.1425 0.3723 ( 3248 PWs) bands (ev): -47.2441 -47.2441 -22.0483 -22.0483 -19.2960 -19.2885 -19.1289 -19.1231 -19.1028 -19.0960 -17.4837 -17.4827 -7.5188 -7.5186 -4.7562 -4.7549 -3.9706 -3.9675 -3.6246 -3.6232 0.1747 0.1782 0.7409 0.7441 2.1203 2.1210 5.2995 5.3019 10.1110 10.1124 10.8840 10.8856 13.5179 13.5209 k = 0.4167 0.1473 0.3835 ( 3246 PWs) bands (ev): -47.2440 -47.2440 -22.0466 -22.0466 -19.2972 -19.2893 -19.1307 -19.1244 -19.1030 -19.0962 -17.4810 -17.4799 -7.5169 -7.5168 -4.7534 -4.7520 -3.9860 -3.9826 -3.6285 -3.6270 0.1575 0.1611 0.7477 0.7509 2.1251 2.1259 5.2821 5.2846 10.1531 10.1546 10.9267 10.9283 13.5334 13.5366 k = 0.4111 0.1521 0.3948 ( 3242 PWs) bands (ev): -47.2439 -47.2439 -22.0449 -22.0449 -19.2985 -19.2901 -19.1324 -19.1256 -19.1031 -19.0964 -17.4781 -17.4770 -7.5150 -7.5148 -4.7506 -4.7491 -4.0015 -3.9980 -3.6326 -3.6311 0.1398 0.1433 0.7547 0.7579 2.1301 2.1309 5.2641 5.2667 10.1972 10.1988 10.9716 10.9733 13.5488 13.5523 k = 0.4056 0.1569 0.4060 ( 3242 PWs) bands (ev): -47.2439 -47.2439 -22.0432 -22.0432 -19.2998 -19.2910 -19.1343 -19.1269 -19.1032 -19.0967 -17.4752 -17.4740 -7.5129 -7.5128 -4.7479 -4.7463 -4.0171 -4.0134 -3.6370 -3.6354 0.1215 0.1251 0.7618 0.7650 2.1352 2.1361 5.2454 5.2483 10.2432 10.2448 11.0186 11.0204 13.5640 13.5677 k = 0.4000 0.1616 0.4173 ( 3242 PWs) bands (ev): -47.2438 -47.2438 -22.0413 -22.0413 -19.3011 -19.2920 -19.1362 -19.1283 -19.1033 -19.0969 -17.4722 -17.4710 -7.5109 -7.5107 -4.7454 -4.7437 -4.0328 -4.0289 -3.6416 -3.6400 0.1029 0.1065 0.7690 0.7722 2.1404 2.1413 5.2264 5.2294 10.2908 10.2925 11.0676 11.0695 13.5785 13.5824 k = 0.3944 0.1664 0.4285 ( 3246 PWs) bands (ev): -47.2438 -47.2438 -22.0395 -22.0395 -19.3025 -19.2931 -19.1382 -19.1297 -19.1034 -19.0972 -17.4691 -17.4679 -7.5088 -7.5086 -4.7431 -4.7413 -4.0482 -4.0442 -3.6465 -3.6448 0.0841 0.0876 0.7763 0.7794 2.1458 2.1466 5.2070 5.2101 10.3400 10.3417 11.1184 11.1204 13.5918 13.5959 k = 0.3889 0.1712 0.4398 ( 3250 PWs) bands (ev): -47.2437 -47.2437 -22.0376 -22.0376 -19.3039 -19.2942 -19.1401 -19.1311 -19.1035 -19.0974 -17.4660 -17.4647 -7.5066 -7.5064 -4.7411 -4.7391 -4.0634 -4.0591 -3.6516 -3.6498 0.0651 0.0686 0.7836 0.7867 2.1511 2.1520 5.1874 5.1906 10.3906 10.3924 11.1707 11.1729 13.6032 13.6076 k = 0.3833 0.1760 0.4511 ( 3242 PWs) bands (ev): -47.2437 -47.2437 -22.0357 -22.0357 -19.3053 -19.2953 -19.1420 -19.1324 -19.1035 -19.0976 -17.4628 -17.4615 -7.5044 -7.5042 -4.7394 -4.7373 -4.0780 -4.0736 -3.6569 -3.6551 0.0460 0.0495 0.7910 0.7939 2.1565 2.1574 5.1676 5.1710 10.4425 10.4443 11.2246 11.2268 13.6121 13.6167 k = 0.3778 0.1807 0.4623 ( 3240 PWs) bands (ev): -47.2436 -47.2436 -22.0337 -22.0337 -19.3068 -19.2965 -19.1439 -19.1338 -19.1036 -19.0978 -17.4597 -17.4583 -7.5022 -7.5020 -4.7381 -4.7359 -4.0921 -4.0875 -3.6625 -3.6606 0.0269 0.0304 0.7983 0.8011 2.1619 2.1628 5.1478 5.1513 10.4955 10.4974 11.2796 11.2820 13.6174 13.6222 k = 0.3722 0.1855 0.4736 ( 3240 PWs) bands (ev): -47.2435 -47.2435 -22.0318 -22.0318 -19.3082 -19.2977 -19.1458 -19.1352 -19.1036 -19.0980 -17.4565 -17.4551 -7.5000 -7.4998 -4.7372 -4.7348 -4.1054 -4.1007 -3.6682 -3.6662 0.0079 0.0113 0.8055 0.8083 2.1673 2.1682 5.1281 5.1316 10.5496 10.5515 11.3356 11.3381 13.6179 13.6228 k = 0.3667 0.1903 0.4848 ( 3236 PWs) bands (ev): -47.2435 -47.2435 -22.0299 -22.0298 -19.3097 -19.2989 -19.1476 -19.1365 -19.1036 -19.0983 -17.4533 -17.4519 -7.4978 -7.4976 -4.7368 -4.7343 -4.1180 -4.1131 -3.6741 -3.6721 -0.0108 -0.0075 0.8126 0.8153 2.1726 2.1735 5.1085 5.1121 10.6046 10.6066 11.3924 11.3950 13.6123 13.6173 k = 0.3611 0.1951 0.4961 ( 3236 PWs) bands (ev): -47.2434 -47.2434 -22.0279 -22.0279 -19.3111 -19.3002 -19.1494 -19.1379 -19.1036 -19.0985 -17.4502 -17.4488 -7.4956 -7.4954 -4.7368 -4.7343 -4.1296 -4.1246 -3.6801 -3.6781 -0.0294 -0.0261 0.8196 0.8222 2.1779 2.1788 5.0891 5.0928 10.6604 10.6624 11.4497 11.4525 13.5992 13.6042 k = 0.3556 0.1999 0.5073 ( 3236 PWs) bands (ev): -47.2434 -47.2434 -22.0260 -22.0260 -19.3126 -19.3015 -19.1512 -19.1392 -19.1037 -19.0987 -17.4471 -17.4457 -7.4934 -7.4932 -4.7374 -4.7348 -4.1402 -4.1352 -3.6863 -3.6842 -0.0476 -0.0443 0.8265 0.8290 2.1830 2.1839 5.0700 5.0739 10.7168 10.7189 11.5074 11.5102 13.5776 13.5825 k = 0.3500 0.2046 0.5186 ( 3234 PWs) bands (ev): -47.2433 -47.2433 -22.0242 -22.0241 -19.3140 -19.3027 -19.1529 -19.1404 -19.1036 -19.0989 -17.4441 -17.4426 -7.4913 -7.4911 -4.7386 -4.7358 -4.1498 -4.1446 -3.6926 -3.6904 -0.0653 -0.0621 0.8332 0.8356 2.1880 2.1889 5.0514 5.0553 10.7738 10.7760 11.5650 11.5680 13.5472 13.5518 k = 0.3444 0.2094 0.5298 ( 3234 PWs) bands (ev): -47.2432 -47.2432 -22.0223 -22.0223 -19.3154 -19.3040 -19.1545 -19.1417 -19.1037 -19.0991 -17.4411 -17.4397 -7.4892 -7.4890 -4.7402 -4.7374 -4.1582 -4.1530 -3.6989 -3.6967 -0.0826 -0.0794 0.8396 0.8420 2.1929 2.1937 5.0333 5.0373 10.8312 10.8335 11.6225 11.6256 13.5084 13.5128 k = 0.3389 0.2142 0.5411 ( 3234 PWs) bands (ev): -47.2432 -47.2432 -22.0205 -22.0205 -19.3168 -19.3053 -19.1560 -19.1429 -19.1037 -19.0993 -17.4382 -17.4368 -7.4872 -7.4869 -4.7424 -4.7395 -4.1656 -4.1603 -3.7053 -3.7031 -0.0993 -0.0961 0.8459 0.8481 2.1976 2.1984 5.0157 5.0198 10.8889 10.8912 11.6795 11.6827 13.4624 13.4665 k = 0.3333 0.2190 0.5523 ( 3232 PWs) bands (ev): -47.2431 -47.2431 -22.0188 -22.0188 -19.3181 -19.3066 -19.1575 -19.1440 -19.1037 -19.0994 -17.4355 -17.4340 -7.4853 -7.4850 -4.7449 -4.7420 -4.1718 -4.1666 -3.7117 -3.7095 -0.1153 -0.1122 0.8519 0.8540 2.2021 2.2029 4.9988 5.0030 10.9467 10.9491 11.7357 11.7391 13.4107 13.4145 k = 0.3278 0.2238 0.5636 ( 3234 PWs) bands (ev): -47.2431 -47.2431 -22.0172 -22.0172 -19.3194 -19.3078 -19.1589 -19.1451 -19.1037 -19.0996 -17.4328 -17.4314 -7.4834 -7.4831 -4.7479 -4.7450 -4.1770 -4.1718 -3.7181 -3.7158 -0.1306 -0.1276 0.8576 0.8596 2.2065 2.2072 4.9827 4.9869 11.0044 11.0070 11.7908 11.7944 13.3547 13.3583 k = 0.3222 0.2285 0.5748 ( 3240 PWs) bands (ev): -47.2430 -47.2430 -22.0156 -22.0156 -19.3207 -19.3090 -19.1602 -19.1462 -19.1037 -19.0998 -17.4303 -17.4289 -7.4816 -7.4813 -4.7513 -4.7483 -4.1812 -4.1760 -3.7244 -3.7221 -0.1452 -0.1422 0.8630 0.8649 2.2106 2.2113 4.9673 4.9716 11.0619 11.0646 11.8446 11.8484 13.2958 13.2993 k = 0.3167 0.2333 0.5861 ( 3238 PWs) bands (ev): -47.2430 -47.2430 -22.0141 -22.0141 -19.3219 -19.3102 -19.1614 -19.1472 -19.1036 -19.1000 -17.4279 -17.4265 -7.4799 -7.4796 -4.7548 -4.7519 -4.1844 -4.1793 -3.7305 -3.7283 -0.1589 -0.1559 0.8681 0.8699 2.2144 2.2151 4.9528 4.9571 11.1189 11.1218 11.8968 11.9008 13.2351 13.2385 k = 0.3111 0.2381 0.5974 ( 3238 PWs) bands (ev): -47.2429 -47.2429 -22.0127 -22.0127 -19.3230 -19.3113 -19.1626 -19.1481 -19.1036 -19.1001 -17.4257 -17.4242 -7.4783 -7.4780 -4.7585 -4.7556 -4.1868 -4.1817 -3.7365 -3.7342 -0.1717 -0.1688 0.8729 0.8746 2.2180 2.2187 4.9392 4.9436 11.1752 11.1782 11.9470 11.9511 13.1737 13.1771 k = 0.3056 0.2429 0.6086 ( 3238 PWs) bands (ev): -47.2429 -47.2429 -22.0114 -22.0114 -19.3241 -19.3123 -19.1636 -19.1489 -19.1036 -19.1002 -17.4236 -17.4222 -7.4768 -7.4765 -4.7624 -4.7595 -4.1884 -4.1835 -3.7422 -3.7400 -0.1836 -0.1807 0.8773 0.8790 2.2214 2.2220 4.9266 4.9311 11.2304 11.2335 11.9949 11.9993 13.1124 13.1158 k = 0.3000 0.2476 0.6199 ( 3240 PWs) bands (ev): -47.2429 -47.2429 -22.0102 -22.0102 -19.3250 -19.3133 -19.1646 -19.1497 -19.1036 -19.1003 -17.4217 -17.4203 -7.4755 -7.4751 -4.7662 -4.7633 -4.1894 -4.1846 -3.7476 -3.7454 -0.1945 -0.1916 0.8814 0.8829 2.2245 2.2250 4.9150 4.9195 11.2841 11.2874 12.0402 12.0447 13.0519 13.0554 k = 0.2944 0.2524 0.6311 ( 3242 PWs) bands (ev): -47.2428 -47.2428 -22.0091 -22.0091 -19.3259 -19.3142 -19.1654 -19.1504 -19.1035 -19.1005 -17.4199 -17.4185 -7.4742 -7.4739 -4.7698 -4.7670 -4.1899 -4.1852 -3.7527 -3.7505 -0.2044 -0.2015 0.8851 0.8865 2.2273 2.2277 4.9045 4.9091 11.3358 11.3392 12.0826 12.0873 12.9931 12.9968 k = 0.2889 0.2572 0.6424 ( 3240 PWs) bands (ev): -47.2428 -47.2428 -22.0081 -22.0081 -19.3267 -19.3149 -19.1661 -19.1510 -19.1035 -19.1006 -17.4184 -17.4170 -7.4731 -7.4728 -4.7733 -4.7705 -4.1900 -4.1853 -3.7574 -3.7552 -0.2131 -0.2103 0.8883 0.8897 2.2297 2.2302 4.8952 4.8998 11.3849 11.3885 12.1216 12.1265 12.9369 12.9408 k = 0.2833 0.2620 0.6536 ( 3238 PWs) bands (ev): -47.2428 -47.2428 -22.0072 -22.0072 -19.3274 -19.3156 -19.1668 -19.1515 -19.1035 -19.1006 -17.4170 -17.4156 -7.4721 -7.4718 -4.7765 -4.7737 -4.1898 -4.1853 -3.7616 -3.7594 -0.2208 -0.2180 0.8912 0.8925 2.2319 2.2323 4.8870 4.8917 11.4306 11.4345 12.1569 12.1621 12.8841 12.8882 k = 0.2778 0.2668 0.6649 ( 3246 PWs) bands (ev): -47.2428 -47.2428 -22.0065 -22.0065 -19.3280 -19.3163 -19.1674 -19.1520 -19.1035 -19.1007 -17.4159 -17.4145 -7.4713 -7.4710 -4.7793 -4.7766 -4.1894 -4.1850 -3.7652 -3.7631 -0.2274 -0.2246 0.8937 0.8948 2.2338 2.2341 4.8800 4.8847 11.4721 11.4762 12.1881 12.1936 12.8357 12.8402 k = 0.2722 0.2715 0.6761 ( 3246 PWs) bands (ev): -47.2427 -47.2427 -22.0059 -22.0059 -19.3285 -19.3168 -19.1678 -19.1524 -19.1035 -19.1008 -17.4149 -17.4135 -7.4706 -7.4703 -4.7817 -4.7790 -4.1890 -4.1847 -3.7683 -3.7662 -0.2328 -0.2300 0.8957 0.8968 2.2353 2.2356 4.8743 4.8790 11.5083 11.5126 12.2148 12.2206 12.7931 12.7979 k = 0.2667 0.2763 0.6874 ( 3246 PWs) bands (ev): -47.2427 -47.2427 -22.0054 -22.0054 -19.3289 -19.3172 -19.1682 -19.1527 -19.1035 -19.1009 -17.4142 -17.4128 -7.4701 -7.4697 -4.7836 -4.7809 -4.1885 -4.1843 -3.7708 -3.7687 -0.2370 -0.2342 0.8972 0.8983 2.2365 2.2367 4.8698 4.8745 11.5382 11.5426 12.2365 12.2426 12.7575 12.7627 k = 0.2611 0.2811 0.6986 ( 3242 PWs) bands (ev): -47.2427 -47.2427 -22.0051 -22.0051 -19.3292 -19.3175 -19.1684 -19.1529 -19.1034 -19.1009 -17.4136 -17.4122 -7.4697 -7.4693 -4.7850 -4.7823 -4.1881 -4.1840 -3.7725 -3.7705 -0.2401 -0.2372 0.8984 0.8994 2.2374 2.2375 4.8665 4.8713 11.5605 11.5652 12.2526 12.2590 12.7305 12.7360 k = 0.2556 0.2859 0.7099 ( 3242 PWs) bands (ev): -47.2427 -47.2427 -22.0049 -22.0049 -19.3294 -19.3176 -19.1685 -19.1530 -19.1034 -19.1009 -17.4133 -17.4119 -7.4694 -7.4691 -4.7859 -4.7832 -4.1879 -4.1838 -3.7736 -3.7715 -0.2419 -0.2391 0.8991 0.9001 2.2379 2.2380 4.8646 4.8693 11.5744 11.5791 12.2626 12.2692 12.7136 12.7193 k = 0.2500 0.2907 0.7211 ( 3248 PWs) bands (ev): -47.2427 -47.2427 -22.0048 -22.0048 -19.3294 -19.3177 -19.1686 -19.1531 -19.1034 -19.1009 -17.4132 -17.4118 -7.4694 -7.4690 -4.7862 -4.7835 -4.1878 -4.1837 -3.7740 -3.7719 -0.2425 -0.2397 0.8993 0.9003 2.2381 2.2381 4.8639 4.8687 11.5791 11.5839 12.2660 12.2727 12.7078 12.7136 k = 0.3379-0.2907 0.7211 ( 3227 PWs) bands (ev): -47.2431 -47.2431 -21.9998 -21.9994 -19.3160 -19.3103 -19.1507 -19.1471 -19.1198 -19.1110 -17.4585 -17.4584 -7.7527 -7.7520 -4.3972 -4.3936 -4.2005 -4.1998 -3.8403 -3.8355 0.0803 0.0830 1.3772 1.3801 2.0971 2.0987 5.0705 5.0719 11.1499 11.1527 11.6546 11.6554 12.3515 12.3556 k = 0.3435-0.2954 0.7099 ( 3227 PWs) bands (ev): -47.2432 -47.2432 -21.9998 -21.9995 -19.3167 -19.3112 -19.1517 -19.1479 -19.1197 -19.1109 -17.4588 -17.4588 -7.7621 -7.7614 -4.3768 -4.3733 -4.1977 -4.1970 -3.8462 -3.8414 0.1008 0.1035 1.3840 1.3869 2.0960 2.0977 5.0988 5.1001 11.1177 11.1202 11.6142 11.6150 12.2921 12.2961 k = 0.3490-0.3002 0.6987 ( 3233 PWs) bands (ev): -47.2432 -47.2432 -21.9999 -21.9996 -19.3175 -19.3122 -19.1526 -19.1488 -19.1196 -19.1109 -17.4592 -17.4591 -7.7715 -7.7707 -4.3559 -4.3524 -4.1951 -4.1944 -3.8520 -3.8474 0.1215 0.1241 1.3905 1.3934 2.0947 2.0965 5.1273 5.1287 11.0842 11.0864 11.5703 11.5711 12.2261 12.2299 k = 0.3545-0.3049 0.6875 ( 3228 PWs) bands (ev): -47.2433 -47.2433 -22.0000 -21.9997 -19.3182 -19.3131 -19.1536 -19.1496 -19.1194 -19.1109 -17.4595 -17.4594 -7.7807 -7.7799 -4.3347 -4.3312 -4.1926 -4.1919 -3.8579 -3.8533 0.1424 0.1450 1.3967 1.3997 2.0934 2.0952 5.1561 5.1574 11.0496 11.0516 11.5231 11.5240 12.1611 12.1648 k = 0.3600-0.3097 0.6763 ( 3232 PWs) bands (ev): -47.2433 -47.2433 -22.0002 -21.9999 -19.3190 -19.3141 -19.1545 -19.1505 -19.1191 -19.1108 -17.4598 -17.4597 -7.7897 -7.7890 -4.3132 -4.3097 -4.1902 -4.1895 -3.8637 -3.8592 0.1633 0.1660 1.4027 1.4057 2.0919 2.0938 5.1849 5.1862 11.0144 11.0161 11.4728 11.4738 12.0975 12.1011 k = 0.3656-0.3144 0.6651 ( 3230 PWs) bands (ev): -47.2434 -47.2434 -22.0004 -22.0001 -19.3197 -19.3150 -19.1554 -19.1514 -19.1188 -19.1107 -17.4600 -17.4599 -7.7986 -7.7978 -4.2915 -4.2880 -4.1880 -4.1872 -3.8695 -3.8650 0.1843 0.1869 1.4085 1.4114 2.0904 2.0923 5.2137 5.2149 10.9787 10.9803 11.4199 11.4209 12.0355 12.0388 k = 0.3711-0.3192 0.6539 ( 3232 PWs) bands (ev): -47.2435 -47.2435 -22.0007 -22.0003 -19.3205 -19.3160 -19.1562 -19.1522 -19.1185 -19.1107 -17.4602 -17.4601 -7.8073 -7.8066 -4.2698 -4.2663 -4.1858 -4.1850 -3.8752 -3.8708 0.2053 0.2079 1.4139 1.4169 2.0888 2.0908 5.2424 5.2435 10.9429 10.9442 11.3649 11.3659 11.9750 11.9782 k = 0.3766-0.3240 0.6427 ( 3230 PWs) bands (ev): -47.2435 -47.2435 -22.0009 -22.0006 -19.3213 -19.3170 -19.1571 -19.1530 -19.1181 -19.1105 -17.4604 -17.4603 -7.8157 -7.8150 -4.2481 -4.2447 -4.1837 -4.1829 -3.8809 -3.8765 0.2261 0.2286 1.4192 1.4221 2.0872 2.0892 5.2708 5.2719 10.9071 10.9082 11.3084 11.3094 11.9163 11.9193 k = 0.3822-0.3287 0.6315 ( 3236 PWs) bands (ev): -47.2436 -47.2436 -22.0012 -22.0009 -19.3221 -19.3180 -19.1579 -19.1539 -19.1177 -19.1105 -17.4605 -17.4604 -7.8240 -7.8233 -4.2268 -4.2234 -4.1817 -4.1807 -3.8864 -3.8820 0.2466 0.2491 1.4241 1.4270 2.0855 2.0876 5.2987 5.2998 10.8713 10.8722 11.2511 11.2522 11.8594 11.8623 k = 0.3877-0.3335 0.6203 ( 3234 PWs) bands (ev): -47.2436 -47.2436 -22.0015 -22.0012 -19.3229 -19.3190 -19.1586 -19.1546 -19.1173 -19.1103 -17.4606 -17.4605 -7.8319 -7.8312 -4.2061 -4.2029 -4.1793 -4.1780 -3.8917 -3.8875 0.2668 0.2692 1.4288 1.4317 2.0838 2.0860 5.3263 5.3273 10.8357 10.8364 11.1938 11.1949 11.8046 11.8073 k = 0.3932-0.3382 0.6091 ( 3230 PWs) bands (ev): -47.2437 -47.2437 -22.0019 -22.0016 -19.3237 -19.3200 -19.1593 -19.1554 -19.1168 -19.1102 -17.4607 -17.4606 -7.8396 -7.8389 -4.1881 -4.1859 -4.1745 -4.1725 -3.8970 -3.8927 0.2866 0.2889 1.4332 1.4361 2.0821 2.0843 5.3532 5.3542 10.8002 10.8009 11.1371 11.1382 11.7518 11.7544 k = 0.3988-0.3430 0.5979 ( 3232 PWs) bands (ev): -47.2437 -47.2437 -22.0022 -22.0019 -19.3245 -19.3209 -19.1600 -19.1561 -19.1164 -19.1101 -17.4608 -17.4607 -7.8469 -7.8463 -4.1799 -4.1796 -4.1603 -4.1571 -3.9020 -3.8978 0.3059 0.3081 1.4373 1.4402 2.0804 2.0826 5.3794 5.3803 10.7650 10.7656 11.0818 11.0829 11.7013 11.7037 k = 0.4043-0.3478 0.5867 ( 3234 PWs) bands (ev): -47.2438 -47.2438 -22.0025 -22.0023 -19.3253 -19.3219 -19.1606 -19.1568 -19.1159 -19.1099 -17.4609 -17.4607 -7.8539 -7.8533 -4.1774 -4.1771 -4.1416 -4.1382 -3.9069 -3.9027 0.3245 0.3267 1.4412 1.4440 2.0787 2.0810 5.4047 5.4056 10.7300 10.7305 11.0285 11.0297 11.6532 11.6554 k = 0.4098-0.3525 0.5754 ( 3232 PWs) bands (ev): -47.2438 -47.2438 -22.0029 -22.0026 -19.3261 -19.3228 -19.1612 -19.1575 -19.1154 -19.1098 -17.4609 -17.4608 -7.8606 -7.8600 -4.1758 -4.1753 -4.1227 -4.1192 -3.9116 -3.9074 0.3425 0.3446 1.4448 1.4476 2.0771 2.0794 5.4291 5.4299 10.6952 10.6957 10.9778 10.9790 11.6076 11.6097 k = 0.4154-0.3573 0.5642 ( 3232 PWs) bands (ev): -47.2439 -47.2439 -22.0032 -22.0030 -19.3268 -19.3237 -19.1617 -19.1581 -19.1149 -19.1097 -17.4610 -17.4608 -7.8669 -7.8663 -4.1745 -4.1739 -4.1045 -4.1008 -3.9161 -3.9118 0.3597 0.3617 1.4481 1.4509 2.0755 2.0779 5.4524 5.4531 10.6606 10.6612 10.9304 10.9316 11.5646 11.5665 k = 0.4209-0.3620 0.5530 ( 3233 PWs) bands (ev): -47.2439 -47.2439 -22.0035 -22.0033 -19.3275 -19.3245 -19.1622 -19.1587 -19.1145 -19.1096 -17.4610 -17.4608 -7.8728 -7.8723 -4.1733 -4.1727 -4.0870 -4.0833 -3.9203 -3.9160 0.3760 0.3779 1.4512 1.4539 2.0739 2.0763 5.4745 5.4752 10.6265 10.6270 10.8866 10.8878 11.5243 11.5261 k = 0.4264-0.3668 0.5418 ( 3233 PWs) bands (ev): -47.2439 -47.2439 -22.0039 -22.0037 -19.3282 -19.3253 -19.1627 -19.1593 -19.1140 -19.1095 -17.4610 -17.4609 -7.8782 -7.8778 -4.1723 -4.1717 -4.0704 -4.0666 -3.9243 -3.9199 0.3913 0.3931 1.4540 1.4566 2.0724 2.0749 5.4952 5.4959 10.5930 10.5935 10.8467 10.8478 11.4868 11.4885 k = 0.4320-0.3716 0.5306 ( 3236 PWs) bands (ev): -47.2440 -47.2440 -22.0042 -22.0040 -19.3288 -19.3260 -19.1631 -19.1598 -19.1136 -19.1095 -17.4610 -17.4609 -7.8833 -7.8829 -4.1714 -4.1708 -4.0549 -4.0511 -3.9280 -3.9236 0.4056 0.4073 1.4565 1.4591 2.0710 2.0735 5.5146 5.5152 10.5603 10.5609 10.8109 10.8119 11.4523 11.4538 k = 0.4375-0.3763 0.5194 ( 3238 PWs) bands (ev): -47.2440 -47.2440 -22.0045 -22.0043 -19.3295 -19.3267 -19.1635 -19.1603 -19.1131 -19.1094 -17.4610 -17.4609 -7.8879 -7.8875 -4.1706 -4.1699 -4.0406 -4.0366 -3.9314 -3.9270 0.4188 0.4203 1.4588 1.4614 2.0697 2.0723 5.5325 5.5330 10.5290 10.5295 10.7791 10.7801 11.4208 11.4221 k = 0.4430-0.3811 0.5082 ( 3234 PWs) bands (ev): -47.2440 -47.2440 -22.0047 -22.0046 -19.3300 -19.3273 -19.1638 -19.1607 -19.1126 -19.1093 -17.4610 -17.4609 -7.8921 -7.8917 -4.1699 -4.1692 -4.0274 -4.0234 -3.9346 -3.9301 0.4309 0.4323 1.4608 1.4633 2.0686 2.0711 5.5488 5.5492 10.4994 10.4999 10.7513 10.7522 11.3924 11.3935 k = 0.4486-0.3858 0.4970 ( 3236 PWs) bands (ev): -47.2441 -47.2441 -22.0050 -22.0048 -19.3305 -19.3279 -19.1641 -19.1611 -19.1122 -19.1093 -17.4610 -17.4609 -7.8958 -7.8955 -4.1693 -4.1686 -4.0156 -4.0115 -3.9375 -3.9329 0.4417 0.4429 1.4626 1.4651 2.0675 2.0701 5.5633 5.5638 10.4721 10.4725 10.7273 10.7281 11.3671 11.3681 k = 0.4541-0.3906 0.4858 ( 3238 PWs) bands (ev): -47.2441 -47.2441 -22.0052 -22.0050 -19.3309 -19.3284 -19.1643 -19.1614 -19.1118 -19.1094 -17.4610 -17.4608 -7.8990 -7.8987 -4.1688 -4.1680 -4.0052 -4.0009 -3.9400 -3.9354 0.4512 0.4522 1.4642 1.4665 2.0665 2.0691 5.5761 5.5765 10.4474 10.4478 10.7069 10.7076 11.3451 11.3460 k = 0.4596-0.3954 0.4746 ( 3240 PWs) bands (ev): -47.2441 -47.2441 -22.0053 -22.0052 -19.3313 -19.3288 -19.1645 -19.1617 -19.1115 -19.1094 -17.4610 -17.4608 -7.9017 -7.9015 -4.1683 -4.1676 -3.9961 -3.9919 -3.9422 -3.9377 0.4593 0.4602 1.4654 1.4678 2.0657 2.0683 5.5871 5.5874 10.4258 10.4261 10.6900 10.6906 11.3264 11.3271 k = 0.4652-0.4001 0.4634 ( 3242 PWs) bands (ev): -47.2441 -47.2441 -22.0055 -22.0054 -19.3317 -19.3292 -19.1647 -19.1620 -19.1111 -19.1095 -17.4610 -17.4608 -7.9040 -7.9038 -4.1680 -4.1672 -3.9884 -3.9844 -3.9441 -3.9398 0.4661 0.4668 1.4665 1.4688 2.0650 2.0677 5.5962 5.5964 10.4077 10.4079 10.6763 10.6768 11.3110 11.3116 k = 0.4707-0.4049 0.4522 ( 3242 PWs) bands (ev): -47.2441 -47.2441 -22.0056 -22.0055 -19.3319 -19.3295 -19.1648 -19.1622 -19.1108 -19.1096 -17.4610 -17.4608 -7.9057 -7.9056 -4.1677 -4.1669 -3.9821 -3.9785 -3.9455 -3.9417 0.4714 0.4719 1.4673 1.4696 2.0645 2.0671 5.6033 5.6035 10.3933 10.3935 10.6658 10.6663 11.2990 11.2995 k = 0.4762-0.4096 0.4409 ( 3243 PWs) bands (ev): -47.2442 -47.2442 -22.0057 -22.0056 -19.3321 -19.3297 -19.1649 -19.1623 -19.1105 -19.1097 -17.4610 -17.4608 -7.9070 -7.9069 -4.1675 -4.1667 -3.9773 -3.9744 -3.9464 -3.9433 0.4752 0.4756 1.4679 1.4701 2.0641 2.0668 5.6084 5.6085 10.3829 10.3830 10.6584 10.6588 11.2904 11.2908 k = 0.4818-0.4144 0.4297 ( 3247 PWs) bands (ev): -47.2442 -47.2442 -22.0057 -22.0057 -19.3322 -19.3298 -19.1650 -19.1624 -19.1103 -19.1099 -17.4610 -17.4608 -7.9077 -7.9077 -4.1674 -4.1666 -3.9739 -3.9723 -3.9465 -3.9447 0.4775 0.4777 1.4682 1.4705 2.0639 2.0665 5.6115 5.6115 10.3766 10.3767 10.6540 10.6543 11.2853 11.2855 k = 0.4873-0.4191 0.4185 ( 3244 PWs) bands (ev): -47.2442 -47.2442 -22.0058 -22.0057 -19.3322 -19.3298 -19.1650 -19.1624 -19.1101 -19.1101 -17.4610 -17.4608 -7.9080 -7.9079 -4.1673 -4.1666 -3.9723 -3.9722 -3.9463 -3.9455 0.4784 0.4784 1.4684 1.4706 2.0638 2.0665 5.6125 5.6125 10.3745 10.3745 10.6525 10.6528 11.2836 11.2838 k = 0.5127 0.5704 0.0109 ( 3244 PWs) bands (ev): -47.2442 -47.2442 -22.0058 -22.0057 -19.3322 -19.3298 -19.1650 -19.1624 -19.1101 -19.1101 -17.4610 -17.4608 -7.9080 -7.9079 -4.1673 -4.1666 -3.9723 -3.9722 -3.9463 -3.9455 0.4784 0.4784 1.4684 1.4706 2.0638 2.0665 5.6125 5.6125 10.3745 10.3745 10.6525 10.6528 11.2836 11.2838 k = 0.5063 0.5758 0.0055 ( 3244 PWs) bands (ev): -47.2442 -47.2442 -22.0056 -22.0056 -19.3318 -19.3306 -19.1645 -19.1632 -19.1101 -19.1101 -17.4607 -17.4606 -7.9092 -7.9091 -4.1652 -4.1648 -3.9726 -3.9725 -3.9474 -3.9470 0.4788 0.4788 1.4745 1.4756 2.0618 2.0632 5.6129 5.6129 10.3707 10.3707 10.6666 10.6668 11.2648 11.2649 k = 0.5000 0.5813-0.0000 ( 3244 PWs) bands (ev): -47.2442 -47.2442 -22.0056 -22.0056 -19.3313 -19.3313 -19.1639 -19.1639 -19.1101 -19.1101 -17.4605 -17.4605 -7.9096 -7.9096 -4.1644 -4.1644 -3.9727 -3.9727 -3.9477 -3.9477 0.4789 0.4789 1.4769 1.4769 2.0616 2.0616 5.6130 5.6130 10.3694 10.3694 10.6716 10.6716 11.2584 11.2584 Writing output data file NaNO2.save init_run : 1.96s CPU 11.00s WALL ( 1 calls) electrons : 370.74s CPU 407.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.39s CPU 1.82s WALL ( 1 calls) Called by electrons: c_bands : 370.70s CPU 406.60s WALL ( 1 calls) v_of_rho : 0.22s CPU 0.77s WALL ( 1 calls) v_h : 0.00s CPU 0.08s WALL ( 1 calls) v_xc : 0.21s CPU 0.39s WALL ( 1 calls) newd : 0.59s CPU 0.88s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 460 calls) cegterg : 343.18s CPU 373.54s WALL ( 842 calls) Called by sum_band: Called by *egterg: h_psi : 180.12s CPU 199.82s WALL ( 14749 calls) s_psi : 5.24s CPU 5.88s WALL ( 14749 calls) g_psi : 0.40s CPU 0.49s WALL ( 13447 calls) cdiaghg : 111.98s CPU 120.99s WALL ( 13907 calls) cegterg:over : 28.00s CPU 27.23s WALL ( 13447 calls) cegterg:upda : 3.45s CPU 7.37s WALL ( 13447 calls) cegterg:last : 3.85s CPU 4.80s WALL ( 2500 calls) Called by h_psi: h_psi:vloc : 162.90s CPU 181.80s WALL ( 14749 calls) h_psi:vnl : 17.08s CPU 17.56s WALL ( 14749 calls) add_vuspsi : 2.64s CPU 5.13s WALL ( 14749 calls) General routines calbec : 14.39s CPU 12.36s WALL ( 14749 calls) fft : 0.81s CPU 1.74s WALL ( 19 calls) ffts : 0.05s CPU 0.48s WALL ( 4 calls) fftw : 157.25s CPU 174.22s WALL ( 1018144 calls) interpolate : 0.08s CPU 0.52s WALL ( 4 calls) davcio : 0.04s CPU 2.37s WALL ( 920 calls) Parallel routines fft_scatter : 103.81s CPU 115.73s WALL ( 1018167 calls) PWSCF : 7m 3.60s CPU 9m 9.94s WALL This run was terminated on: 19:59:52 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=