Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:32:59 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./Al2O3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 55 32 9 1599 700 110 Max 56 33 10 1604 717 113 Sum 2009 1175 339 57677 25483 4003 bravais-lattice index = 14 lattice parameter (alat) = 9.7701 a.u. unit-cell volume = 586.7049 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.770086 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.569939 celldm(5)= 0.569939 celldm(6)= 0.569939 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.569939 0.821687 0.000000 ) a(3) = ( 0.569939 0.298299 0.765629 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.693621 -0.474163 ) b(2) = ( 0.000000 1.217008 -0.474163 ) b(3) = ( 0.000000 0.000000 1.306116 ) PseudoPot. # 1 for O read from file: /users/gautes/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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Al 3.00 26.98150 Al( 1.00) 2 Sym. Ops., with inversion, 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 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 290 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0125000 -0.0086703 -0.0059270), wk = 0.0034483 k( 3) = ( 0.0250000 -0.0173405 -0.0118541), wk = 0.0034483 k( 4) = ( 0.0375000 -0.0260108 -0.0177811), wk = 0.0034483 k( 5) = ( 0.0500000 -0.0346810 -0.0237081), wk = 0.0034483 k( 6) = ( 0.0625000 -0.0433513 -0.0296352), wk = 0.0034483 k( 7) = ( 0.0750000 -0.0520216 -0.0355622), wk = 0.0034483 k( 8) = ( 0.0875000 -0.0606918 -0.0414892), wk = 0.0034483 k( 9) = ( 0.1000000 -0.0693621 -0.0474163), wk = 0.0034483 k( 10) = ( 0.1125000 -0.0780323 -0.0533433), wk = 0.0034483 k( 11) = ( 0.1250000 -0.0867026 -0.0592704), wk = 0.0034483 k( 12) = ( 0.1375000 -0.0953728 -0.0651974), wk = 0.0034483 k( 13) = ( 0.1500000 -0.1040431 -0.0711244), wk = 0.0034483 k( 14) = ( 0.1625000 -0.1127134 -0.0770515), wk = 0.0034483 k( 15) = ( 0.1750000 -0.1213836 -0.0829785), wk = 0.0034483 k( 16) = ( 0.1875000 -0.1300539 -0.0889055), wk = 0.0034483 k( 17) = ( 0.2000000 -0.1387241 -0.0948326), wk = 0.0034483 k( 18) = ( 0.2125000 -0.1473944 -0.1007596), wk = 0.0034483 k( 19) = ( 0.2250000 -0.1560647 -0.1066866), wk = 0.0034483 k( 20) = ( 0.2375000 -0.1647349 -0.1126137), wk = 0.0034483 k( 21) = ( 0.2500000 -0.1734052 -0.1185407), wk = 0.0034483 k( 22) = ( 0.2625000 -0.1820754 -0.1244677), wk = 0.0034483 k( 23) = ( 0.2750000 -0.1907457 -0.1303948), wk = 0.0034483 k( 24) = ( 0.2875000 -0.1994160 -0.1363218), wk = 0.0034483 k( 25) = ( 0.3000000 -0.2080862 -0.1422489), wk = 0.0034483 k( 26) = ( 0.3125000 -0.2167565 -0.1481759), wk = 0.0034483 k( 27) = ( 0.3250000 -0.2254267 -0.1541029), wk = 0.0034483 k( 28) = ( 0.3375000 -0.2340970 -0.1600300), wk = 0.0034483 k( 29) = ( 0.3500000 -0.2427672 -0.1659570), wk = 0.0034483 k( 30) = ( 0.3625000 -0.2514375 -0.1718840), wk = 0.0034483 k( 31) = ( 0.3750000 -0.2601078 -0.1778111), wk = 0.0034483 k( 32) = ( 0.3875000 -0.2687780 -0.1837381), wk = 0.0034483 k( 33) = ( 0.4000000 -0.2774483 -0.1896651), wk = 0.0034483 k( 34) = ( 0.4125000 -0.2861185 -0.1955922), wk = 0.0034483 k( 35) = ( 0.4250000 -0.2947888 -0.2015192), wk = 0.0034483 k( 36) = ( 0.4375000 -0.3034591 -0.2074462), wk = 0.0034483 k( 37) = ( 0.4500000 -0.3121293 -0.2133733), wk = 0.0034483 k( 38) = ( 0.4625000 -0.3207996 -0.2193003), wk = 0.0034483 k( 39) = ( 0.4750000 -0.3294698 -0.2252274), wk = 0.0034483 k( 40) = ( 0.4875000 -0.3381401 -0.2311544), wk = 0.0034483 k( 41) = ( 0.5000000 -0.3468104 -0.2370814), wk = 0.0034483 k( 42) = ( 0.5000000 -0.3468104 -0.2370814), wk = 0.0034483 k( 43) = ( 0.5000000 -0.3376373 -0.2505000), wk = 0.0034483 k( 44) = ( 0.5000000 -0.3284643 -0.2639186), wk = 0.0034483 k( 45) = ( 0.5000000 -0.3192913 -0.2773372), wk = 0.0034483 k( 46) = ( 0.5000000 -0.3101182 -0.2907558), wk = 0.0034483 k( 47) = ( 0.5000000 -0.3009452 -0.3041745), wk = 0.0034483 k( 48) = ( 0.5000000 -0.2917722 -0.3175931), wk = 0.0034483 k( 49) = ( 0.5000000 -0.2825991 -0.3310117), wk = 0.0034483 k( 50) = ( 0.5000000 -0.2734261 -0.3444303), wk = 0.0034483 k( 51) = ( 0.5000000 -0.2642531 -0.3578489), wk = 0.0034483 k( 52) = ( 0.5000000 -0.2550800 -0.3712675), wk = 0.0034483 k( 53) = ( 0.5000000 -0.2459070 -0.3846861), wk = 0.0034483 k( 54) = ( 0.5000000 -0.2367340 -0.3981047), wk = 0.0034483 k( 55) = ( 0.5000000 -0.2275609 -0.4115233), wk = 0.0034483 k( 56) = ( 0.5000000 -0.2183879 -0.4249419), wk = 0.0034483 k( 57) = ( 0.5000000 -0.2092149 -0.4383605), wk = 0.0034483 k( 58) = ( 0.5000000 -0.2000419 -0.4517791), wk = 0.0034483 k( 59) = ( 0.5000000 -0.1908688 -0.4651977), wk = 0.0034483 k( 60) = ( 0.5000000 -0.1816958 -0.4786163), wk = 0.0034483 k( 61) = ( 0.5000000 -0.1725228 -0.4920349), wk = 0.0034483 k( 62) = ( 0.5000000 -0.1633497 -0.5054535), wk = 0.0034483 k( 63) = ( 0.5000000 -0.1541767 -0.5188721), wk = 0.0034483 k( 64) = ( 0.5000000 -0.1450037 -0.5322908), wk = 0.0034483 k( 65) = ( 0.5000000 -0.1358306 -0.5457094), wk = 0.0034483 k( 66) = ( 0.5000000 -0.1266576 -0.5591280), wk = 0.0034483 k( 67) = ( 0.5000000 -0.1174846 -0.5725466), wk = 0.0034483 k( 68) = ( 0.5000000 -0.1083115 -0.5859652), wk = 0.0034483 k( 69) = ( 0.5000000 -0.0991385 -0.5993838), wk = 0.0034483 k( 70) = ( 0.5000000 -0.0899655 -0.6128024), wk = 0.0034483 k( 71) = ( 0.5000000 -0.0807924 -0.6262210), wk = 0.0034483 k( 72) = ( 0.5000000 -0.0716194 -0.6396396), wk = 0.0034483 k( 73) = ( 0.5000000 -0.0624464 -0.6530582), wk = 0.0034483 k( 74) = ( 0.7663418 0.0769537 -0.2952675), wk = 0.0034483 k( 75) = ( 0.7587321 0.0822320 -0.2817200), wk = 0.0034483 k( 76) = ( 0.7511223 0.0875103 -0.2681725), wk = 0.0034483 k( 77) = ( 0.7435125 0.0927886 -0.2546250), wk = 0.0034483 k( 78) = ( 0.7359028 0.0980668 -0.2410775), wk = 0.0034483 k( 79) = ( 0.7282930 0.1033451 -0.2275299), wk = 0.0034483 k( 80) = ( 0.7206832 0.1086234 -0.2139824), wk = 0.0034483 k( 81) = ( 0.7130735 0.1139017 -0.2004349), wk = 0.0034483 k( 82) = ( 0.7054637 0.1191800 -0.1868874), wk = 0.0034483 k( 83) = ( 0.6978539 0.1244583 -0.1733399), wk = 0.0034483 k( 84) = ( 0.6902442 0.1297366 -0.1597924), wk = 0.0034483 k( 85) = ( 0.6826344 0.1350149 -0.1462449), wk = 0.0034483 k( 86) = ( 0.6750246 0.1402932 -0.1326974), wk = 0.0034483 k( 87) = ( 0.6674149 0.1455715 -0.1191499), wk = 0.0034483 k( 88) = ( 0.6598051 0.1508498 -0.1056024), wk = 0.0034483 k( 89) = ( 0.6521953 0.1561281 -0.0920549), wk = 0.0034483 k( 90) = ( 0.6445856 0.1614064 -0.0785073), wk = 0.0034483 k( 91) = ( 0.6369758 0.1666846 -0.0649598), wk = 0.0034483 k( 92) = ( 0.6293660 0.1719629 -0.0514123), wk = 0.0034483 k( 93) = ( 0.6217563 0.1772412 -0.0378648), wk = 0.0034483 k( 94) = ( 0.6141465 0.1825195 -0.0243173), wk = 0.0034483 k( 95) = ( 0.6065367 0.1877978 -0.0107698), wk = 0.0034483 k( 96) = ( 0.5989270 0.1930761 0.0027777), wk = 0.0034483 k( 97) = ( 0.5913172 0.1983544 0.0163252), wk = 0.0034483 k( 98) = ( 0.5837074 0.2036327 0.0298728), wk = 0.0034483 k( 99) = ( 0.5760977 0.2089110 0.0434203), wk = 0.0034483 k( 100) = ( 0.5684879 0.2141893 0.0569678), wk = 0.0034483 k( 101) = ( 0.5608781 0.2194676 0.0705153), wk = 0.0034483 k( 102) = ( 0.5532684 0.2247459 0.0840628), wk = 0.0034483 k( 103) = ( 0.5456586 0.2300241 0.0976103), wk = 0.0034483 k( 104) = ( 0.5380488 0.2353024 0.1111578), wk = 0.0034483 k( 105) = ( 0.5304391 0.2405807 0.1247053), wk = 0.0034483 k( 106) = ( 0.5228293 0.2458590 0.1382528), wk = 0.0034483 k( 107) = ( 0.5152195 0.2511373 0.1518003), wk = 0.0034483 k( 108) = ( 0.5076098 0.2564156 0.1653478), wk = 0.0034483 k( 109) = ( 0.5000000 0.2616939 0.1788954), wk = 0.0034483 k( 110) = ( 0.5000000 0.2616939 0.1788954), wk = 0.0034483 k( 111) = ( 0.4861111 0.2544246 0.1739260), wk = 0.0034483 k( 112) = ( 0.4722222 0.2471553 0.1689567), wk = 0.0034483 k( 113) = ( 0.4583333 0.2398861 0.1639874), wk = 0.0034483 k( 114) = ( 0.4444444 0.2326168 0.1590181), wk = 0.0034483 k( 115) = ( 0.4305556 0.2253475 0.1540488), wk = 0.0034483 k( 116) = ( 0.4166667 0.2180782 0.1490795), wk = 0.0034483 k( 117) = ( 0.4027778 0.2108090 0.1441101), wk = 0.0034483 k( 118) = ( 0.3888889 0.2035397 0.1391408), wk = 0.0034483 k( 119) = ( 0.3750000 0.1962704 0.1341715), wk = 0.0034483 k( 120) = ( 0.3611111 0.1890011 0.1292022), wk = 0.0034483 k( 121) = ( 0.3472222 0.1817319 0.1242329), wk = 0.0034483 k( 122) = ( 0.3333333 0.1744626 0.1192636), wk = 0.0034483 k( 123) = ( 0.3194444 0.1671933 0.1142943), wk = 0.0034483 k( 124) = ( 0.3055556 0.1599240 0.1093249), wk = 0.0034483 k( 125) = ( 0.2916667 0.1526548 0.1043556), wk = 0.0034483 k( 126) = ( 0.2777778 0.1453855 0.0993863), wk = 0.0034483 k( 127) = ( 0.2638889 0.1381162 0.0944170), wk = 0.0034483 k( 128) = ( 0.2500000 0.1308469 0.0894477), wk = 0.0034483 k( 129) = ( 0.2361111 0.1235777 0.0844784), wk = 0.0034483 k( 130) = ( 0.2222222 0.1163084 0.0795090), wk = 0.0034483 k( 131) = ( 0.2083333 0.1090391 0.0745397), wk = 0.0034483 k( 132) = ( 0.1944444 0.1017698 0.0695704), wk = 0.0034483 k( 133) = ( 0.1805556 0.0945006 0.0646011), wk = 0.0034483 k( 134) = ( 0.1666667 0.0872313 0.0596318), wk = 0.0034483 k( 135) = ( 0.1527778 0.0799620 0.0546625), wk = 0.0034483 k( 136) = ( 0.1388889 0.0726927 0.0496932), wk = 0.0034483 k( 137) = ( 0.1250000 0.0654235 0.0447238), wk = 0.0034483 k( 138) = ( 0.1111111 0.0581542 0.0397545), wk = 0.0034483 k( 139) = ( 0.0972222 0.0508849 0.0347852), wk = 0.0034483 k( 140) = ( 0.0833333 0.0436156 0.0298159), wk = 0.0034483 k( 141) = ( 0.0694444 0.0363464 0.0248466), wk = 0.0034483 k( 142) = ( 0.0555556 0.0290771 0.0198773), wk = 0.0034483 k( 143) = ( 0.0416667 0.0218078 0.0149079), wk = 0.0034483 k( 144) = ( 0.0277778 0.0145386 0.0099386), wk = 0.0034483 k( 145) = ( 0.0138889 0.0072693 0.0049693), wk = 0.0034483 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 148) = ( 0.0074863 -0.0051927 -0.0133277), wk = 0.0034483 k( 149) = ( 0.0149726 -0.0103853 -0.0266554), wk = 0.0034483 k( 150) = ( 0.0224589 -0.0155780 -0.0399831), wk = 0.0034483 k( 151) = ( 0.0299452 -0.0207706 -0.0533109), wk = 0.0034483 k( 152) = ( 0.0374315 -0.0259633 -0.0666386), wk = 0.0034483 k( 153) = ( 0.0449179 -0.0311560 -0.0799663), wk = 0.0034483 k( 154) = ( 0.0524041 -0.0363486 -0.0932940), wk = 0.0034483 k( 155) = ( 0.0598905 -0.0415413 -0.1066217), wk = 0.0034483 k( 156) = ( 0.0673768 -0.0467339 -0.1199495), wk = 0.0034483 k( 157) = ( 0.0748631 -0.0519266 -0.1332772), wk = 0.0034483 k( 158) = ( 0.0823494 -0.0571192 -0.1466049), wk = 0.0034483 k( 159) = ( 0.0898357 -0.0623119 -0.1599326), wk = 0.0034483 k( 160) = ( 0.0973220 -0.0675046 -0.1732603), wk = 0.0034483 k( 161) = ( 0.1048083 -0.0726972 -0.1865881), wk = 0.0034483 k( 162) = ( 0.1122946 -0.0778899 -0.1999158), wk = 0.0034483 k( 163) = ( 0.1197809 -0.0830825 -0.2132435), wk = 0.0034483 k( 164) = ( 0.1272672 -0.0882752 -0.2265712), wk = 0.0034483 k( 165) = ( 0.1347535 -0.0934678 -0.2398989), wk = 0.0034483 k( 166) = ( 0.1422399 -0.0986605 -0.2532267), wk = 0.0034483 k( 167) = ( 0.1497262 -0.1038532 -0.2665544), wk = 0.0034483 k( 168) = ( 0.1572125 -0.1090458 -0.2798821), wk = 0.0034483 k( 169) = ( 0.1646988 -0.1142385 -0.2932098), wk = 0.0034483 k( 170) = ( 0.1721851 -0.1194311 -0.3065375), wk = 0.0034483 k( 171) = ( 0.1796714 -0.1246238 -0.3198653), wk = 0.0034483 k( 172) = ( 0.1871577 -0.1298164 -0.3331930), wk = 0.0034483 k( 173) = ( 0.1946440 -0.1350091 -0.3465207), wk = 0.0034483 k( 174) = ( 0.2021303 -0.1402018 -0.3598484), wk = 0.0034483 k( 175) = ( 0.2096166 -0.1453944 -0.3731761), wk = 0.0034483 k( 176) = ( 0.2171029 -0.1505871 -0.3865038), wk = 0.0034483 k( 177) = ( 0.2245892 -0.1557797 -0.3998316), wk = 0.0034483 k( 178) = ( 0.2320755 -0.1609724 -0.4131593), wk = 0.0034483 k( 179) = ( 0.2395618 -0.1661651 -0.4264870), wk = 0.0034483 k( 180) = ( 0.2470482 -0.1713577 -0.4398147), wk = 0.0034483 k( 181) = ( 0.2545345 -0.1765504 -0.4531424), wk = 0.0034483 k( 182) = ( 0.2620208 -0.1817430 -0.4664701), wk = 0.0034483 k( 183) = ( 0.2695071 -0.1869357 -0.4797979), wk = 0.0034483 k( 184) = ( 0.2769934 -0.1921284 -0.4931256), wk = 0.0034483 k( 185) = ( 0.2844797 -0.1973210 -0.5064533), wk = 0.0034483 k( 186) = ( 0.2919660 -0.2025137 -0.5197810), wk = 0.0034483 k( 187) = ( 0.2994523 -0.2077063 -0.5331087), wk = 0.0034483 k( 188) = ( 0.3069386 -0.2128990 -0.5464365), wk = 0.0034483 k( 189) = ( 0.3144249 -0.2180916 -0.5597642), wk = 0.0034483 k( 190) = ( 0.3219112 -0.2232843 -0.5730919), wk = 0.0034483 k( 191) = ( 0.3293975 -0.2284770 -0.5864196), wk = 0.0034483 k( 192) = ( 0.3368838 -0.2336696 -0.5997473), wk = 0.0034483 k( 193) = ( 0.3443702 -0.2388623 -0.6130751), wk = 0.0034483 k( 194) = ( 0.3518565 -0.2440549 -0.6264028), wk = 0.0034483 k( 195) = ( 0.3593428 -0.2492476 -0.6397305), wk = 0.0034483 k( 196) = ( 0.3668291 -0.2544402 -0.6530582), wk = 0.0034483 k( 197) = ( 0.6331709 0.0072536 -0.4741629), wk = 0.0034483 k( 198) = ( 0.6257725 0.0213892 -0.4741629), wk = 0.0034483 k( 199) = ( 0.6183741 0.0355248 -0.4741629), wk = 0.0034483 k( 200) = ( 0.6109758 0.0496603 -0.4741629), wk = 0.0034483 k( 201) = ( 0.6035774 0.0637959 -0.4741629), wk = 0.0034483 k( 202) = ( 0.5961790 0.0779315 -0.4741629), wk = 0.0034483 k( 203) = ( 0.5887806 0.0920671 -0.4741629), wk = 0.0034483 k( 204) = ( 0.5813822 0.1062026 -0.4741629), wk = 0.0034483 k( 205) = ( 0.5739838 0.1203382 -0.4741629), wk = 0.0034483 k( 206) = ( 0.5665855 0.1344738 -0.4741629), wk = 0.0034483 k( 207) = ( 0.5591871 0.1486093 -0.4741629), wk = 0.0034483 k( 208) = ( 0.5517887 0.1627449 -0.4741629), wk = 0.0034483 k( 209) = ( 0.5443903 0.1768805 -0.4741629), wk = 0.0034483 k( 210) = ( 0.5369919 0.1910161 -0.4741629), wk = 0.0034483 k( 211) = ( 0.5295935 0.2051516 -0.4741629), wk = 0.0034483 k( 212) = ( 0.5221952 0.2192872 -0.4741629), wk = 0.0034483 k( 213) = ( 0.5147968 0.2334228 -0.4741629), wk = 0.0034483 k( 214) = ( 0.5073984 0.2475583 -0.4741629), wk = 0.0034483 k( 215) = ( 0.5000000 0.2616939 -0.4741629), wk = 0.0034483 k( 216) = ( 0.5000000 0.2616939 -0.4741629), wk = 0.0034483 k( 217) = ( 0.5088781 0.2663406 -0.4622365), wk = 0.0034483 k( 218) = ( 0.5177561 0.2709872 -0.4503101), wk = 0.0034483 k( 219) = ( 0.5266342 0.2756339 -0.4383838), wk = 0.0034483 k( 220) = ( 0.5355123 0.2802806 -0.4264574), wk = 0.0034483 k( 221) = ( 0.5443903 0.2849272 -0.4145311), wk = 0.0034483 k( 222) = ( 0.5532684 0.2895739 -0.4026047), wk = 0.0034483 k( 223) = ( 0.5621464 0.2942206 -0.3906783), wk = 0.0034483 k( 224) = ( 0.5710245 0.2988672 -0.3787520), wk = 0.0034483 k( 225) = ( 0.5799026 0.3035139 -0.3668256), wk = 0.0034483 k( 226) = ( 0.5887806 0.3081606 -0.3548993), wk = 0.0034483 k( 227) = ( 0.5976587 0.3128073 -0.3429729), wk = 0.0034483 k( 228) = ( 0.6065367 0.3174539 -0.3310466), wk = 0.0034483 k( 229) = ( 0.6154148 0.3221006 -0.3191202), wk = 0.0034483 k( 230) = ( 0.6242929 0.3267473 -0.3071939), wk = 0.0034483 k( 231) = ( 0.6331709 0.3313939 -0.2952675), wk = 0.0034483 k( 232) = ( 0.6331709 0.3313939 -0.2952675), wk = 0.0034483 k( 233) = ( 0.6288751 0.3291455 -0.2799719), wk = 0.0034483 k( 234) = ( 0.6245793 0.3268972 -0.2646763), wk = 0.0034483 k( 235) = ( 0.6202834 0.3246488 -0.2493808), wk = 0.0034483 k( 236) = ( 0.6159876 0.3224004 -0.2340852), wk = 0.0034483 k( 237) = ( 0.6116917 0.3201520 -0.2187896), wk = 0.0034483 k( 238) = ( 0.6073959 0.3179036 -0.2034940), wk = 0.0034483 k( 239) = ( 0.6031001 0.3156552 -0.1881985), wk = 0.0034483 k( 240) = ( 0.5988042 0.3134068 -0.1729029), wk = 0.0034483 k( 241) = ( 0.5945084 0.3111584 -0.1576073), wk = 0.0034483 k( 242) = ( 0.5902126 0.3089100 -0.1423117), wk = 0.0034483 k( 243) = ( 0.5859167 0.3066617 -0.1270162), wk = 0.0034483 k( 244) = ( 0.5816209 0.3044133 -0.1117206), wk = 0.0034483 k( 245) = ( 0.5773251 0.3021649 -0.0964250), wk = 0.0034483 k( 246) = ( 0.5730292 0.2999165 -0.0811294), wk = 0.0034483 k( 247) = ( 0.5687334 0.2976681 -0.0658339), wk = 0.0034483 k( 248) = ( 0.5644375 0.2954197 -0.0505383), wk = 0.0034483 k( 249) = ( 0.5601417 0.2931713 -0.0352427), wk = 0.0034483 k( 250) = ( 0.5558459 0.2909229 -0.0199471), wk = 0.0034483 k( 251) = ( 0.5515500 0.2886746 -0.0046516), wk = 0.0034483 k( 252) = ( 0.5472542 0.2864262 0.0106440), wk = 0.0034483 k( 253) = ( 0.5429584 0.2841778 0.0259396), wk = 0.0034483 k( 254) = ( 0.5386625 0.2819294 0.0412352), wk = 0.0034483 k( 255) = ( 0.5343667 0.2796810 0.0565307), wk = 0.0034483 k( 256) = ( 0.5300708 0.2774326 0.0718263), wk = 0.0034483 k( 257) = ( 0.5257750 0.2751842 0.0871219), wk = 0.0034483 k( 258) = ( 0.5214792 0.2729358 0.1024175), wk = 0.0034483 k( 259) = ( 0.5171833 0.2706874 0.1177131), wk = 0.0034483 k( 260) = ( 0.5128875 0.2684391 0.1330086), wk = 0.0034483 k( 261) = ( 0.5085917 0.2661907 0.1483042), wk = 0.0034483 k( 262) = ( 0.5042958 0.2639423 0.1635998), wk = 0.0034483 k( 263) = ( 0.5000000 0.2616939 0.1788954), wk = 0.0034483 k( 264) = ( 0.5000000 -0.3468104 -0.2370814), wk = 0.0034483 k( 265) = ( 0.5102439 -0.3367452 -0.2302008), wk = 0.0034483 k( 266) = ( 0.5204878 -0.3266801 -0.2233202), wk = 0.0034483 k( 267) = ( 0.5307317 -0.3166149 -0.2164397), wk = 0.0034483 k( 268) = ( 0.5409757 -0.3065498 -0.2095591), wk = 0.0034483 k( 269) = ( 0.5512196 -0.2964846 -0.2026785), wk = 0.0034483 k( 270) = ( 0.5614635 -0.2864195 -0.1957979), wk = 0.0034483 k( 271) = ( 0.5717074 -0.2763543 -0.1889173), wk = 0.0034483 k( 272) = ( 0.5819513 -0.2662891 -0.1820367), wk = 0.0034483 k( 273) = ( 0.5921952 -0.2562240 -0.1751561), wk = 0.0034483 k( 274) = ( 0.6024392 -0.2461589 -0.1682755), wk = 0.0034483 k( 275) = ( 0.6126831 -0.2360937 -0.1613949), wk = 0.0034483 k( 276) = ( 0.6229270 -0.2260286 -0.1545143), wk = 0.0034483 k( 277) = ( 0.6331709 -0.2159634 -0.1476337), wk = 0.0034483 k( 278) = ( 0.6434148 -0.2058983 -0.1407532), wk = 0.0034483 k( 279) = ( 0.6536587 -0.1958331 -0.1338726), wk = 0.0034483 k( 280) = ( 0.6639027 -0.1857680 -0.1269920), wk = 0.0034483 k( 281) = ( 0.6741466 -0.1757028 -0.1201114), wk = 0.0034483 k( 282) = ( 0.6843905 -0.1656377 -0.1132308), wk = 0.0034483 k( 283) = ( 0.6946344 -0.1555725 -0.1063502), wk = 0.0034483 k( 284) = ( 0.7048783 -0.1455074 -0.0994696), wk = 0.0034483 k( 285) = ( 0.7151222 -0.1354422 -0.0925890), wk = 0.0034483 k( 286) = ( 0.7253662 -0.1253771 -0.0857084), wk = 0.0034483 k( 287) = ( 0.7356101 -0.1153119 -0.0788278), wk = 0.0034483 k( 288) = ( 0.7458540 -0.1052468 -0.0719472), wk = 0.0034483 k( 289) = ( 0.7560979 -0.0951816 -0.0650667), wk = 0.0034483 k( 290) = ( 0.7663418 -0.0851165 -0.0581861), wk = 0.0034483 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0034483 k( 3) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0034483 k( 4) = ( 0.0375000 -0.0000000 -0.0000000), wk = 0.0034483 k( 5) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0034483 k( 6) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0034483 k( 7) = ( 0.0750000 -0.0000000 -0.0000000), wk = 0.0034483 k( 8) = ( 0.0875000 0.0000000 -0.0000000), wk = 0.0034483 k( 9) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0034483 k( 10) = ( 0.1125000 0.0000000 -0.0000000), wk = 0.0034483 k( 11) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0034483 k( 12) = ( 0.1375000 -0.0000000 -0.0000000), wk = 0.0034483 k( 13) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0034483 k( 14) = ( 0.1625000 -0.0000000 -0.0000000), wk = 0.0034483 k( 15) = ( 0.1750000 0.0000000 -0.0000000), wk = 0.0034483 k( 16) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0034483 k( 17) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0034483 k( 18) = ( 0.2125000 0.0000000 -0.0000000), wk = 0.0034483 k( 19) = ( 0.2250000 0.0000000 -0.0000000), wk = 0.0034483 k( 20) = ( 0.2375000 0.0000000 -0.0000000), wk = 0.0034483 k( 21) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0034483 k( 22) = ( 0.2625000 -0.0000000 -0.0000000), wk = 0.0034483 k( 23) = ( 0.2750000 -0.0000000 -0.0000000), wk = 0.0034483 k( 24) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0034483 k( 25) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0034483 k( 26) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0034483 k( 27) = ( 0.3250000 -0.0000000 -0.0000000), wk = 0.0034483 k( 28) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0034483 k( 29) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0034483 k( 30) = ( 0.3625000 -0.0000000 -0.0000000), wk = 0.0034483 k( 31) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0034483 k( 32) = ( 0.3875000 0.0000000 -0.0000000), wk = 0.0034483 k( 33) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0034483 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0034483 k( 35) = ( 0.4250000 0.0000000 -0.0000000), wk = 0.0034483 k( 36) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0034483 k( 37) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0034483 k( 38) = ( 0.4625000 0.0000000 -0.0000000), wk = 0.0034483 k( 39) = ( 0.4750000 0.0000000 -0.0000000), wk = 0.0034483 k( 40) = ( 0.4875000 0.0000000 -0.0000000), wk = 0.0034483 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034483 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034483 k( 43) = ( 0.5000000 0.0075374 -0.0075374), wk = 0.0034483 k( 44) = ( 0.5000000 0.0150747 -0.0150747), wk = 0.0034483 k( 45) = ( 0.5000000 0.0226121 -0.0226121), wk = 0.0034483 k( 46) = ( 0.5000000 0.0301494 -0.0301494), wk = 0.0034483 k( 47) = ( 0.5000000 0.0376868 -0.0376868), wk = 0.0034483 k( 48) = ( 0.5000000 0.0452242 -0.0452242), wk = 0.0034483 k( 49) = ( 0.5000000 0.0527615 -0.0527615), wk = 0.0034483 k( 50) = ( 0.5000000 0.0602989 -0.0602989), wk = 0.0034483 k( 51) = ( 0.5000000 0.0678362 -0.0678362), wk = 0.0034483 k( 52) = ( 0.5000000 0.0753736 -0.0753736), wk = 0.0034483 k( 53) = ( 0.5000000 0.0829110 -0.0829110), wk = 0.0034483 k( 54) = ( 0.5000000 0.0904483 -0.0904483), wk = 0.0034483 k( 55) = ( 0.5000000 0.0979857 -0.0979857), wk = 0.0034483 k( 56) = ( 0.5000000 0.1055230 -0.1055230), wk = 0.0034483 k( 57) = ( 0.5000000 0.1130604 -0.1130604), wk = 0.0034483 k( 58) = ( 0.5000000 0.1205978 -0.1205978), wk = 0.0034483 k( 59) = ( 0.5000000 0.1281351 -0.1281351), wk = 0.0034483 k( 60) = ( 0.5000000 0.1356725 -0.1356725), wk = 0.0034483 k( 61) = ( 0.5000000 0.1432098 -0.1432098), wk = 0.0034483 k( 62) = ( 0.5000000 0.1507472 -0.1507472), wk = 0.0034483 k( 63) = ( 0.5000000 0.1582846 -0.1582846), wk = 0.0034483 k( 64) = ( 0.5000000 0.1658219 -0.1658219), wk = 0.0034483 k( 65) = ( 0.5000000 0.1733593 -0.1733593), wk = 0.0034483 k( 66) = ( 0.5000000 0.1808966 -0.1808966), wk = 0.0034483 k( 67) = ( 0.5000000 0.1884340 -0.1884340), wk = 0.0034483 k( 68) = ( 0.5000000 0.1959714 -0.1959714), wk = 0.0034483 k( 69) = ( 0.5000000 0.2035087 -0.2035087), wk = 0.0034483 k( 70) = ( 0.5000000 0.2110461 -0.2110461), wk = 0.0034483 k( 71) = ( 0.5000000 0.2185834 -0.2185834), wk = 0.0034483 k( 72) = ( 0.5000000 0.2261208 -0.2261208), wk = 0.0034483 k( 73) = ( 0.5000000 0.2336582 -0.2336582), wk = 0.0034483 k( 74) = ( 0.7663418 0.5000000 0.2336582), wk = 0.0034483 k( 75) = ( 0.7587321 0.5000000 0.2412679), wk = 0.0034483 k( 76) = ( 0.7511223 0.5000000 0.2488777), wk = 0.0034483 k( 77) = ( 0.7435125 0.5000000 0.2564875), wk = 0.0034483 k( 78) = ( 0.7359028 0.5000000 0.2640972), wk = 0.0034483 k( 79) = ( 0.7282930 0.5000000 0.2717070), wk = 0.0034483 k( 80) = ( 0.7206832 0.5000000 0.2793168), wk = 0.0034483 k( 81) = ( 0.7130735 0.5000000 0.2869265), wk = 0.0034483 k( 82) = ( 0.7054637 0.5000000 0.2945363), wk = 0.0034483 k( 83) = ( 0.6978539 0.5000000 0.3021461), wk = 0.0034483 k( 84) = ( 0.6902442 0.5000000 0.3097558), wk = 0.0034483 k( 85) = ( 0.6826344 0.5000000 0.3173656), wk = 0.0034483 k( 86) = ( 0.6750246 0.5000000 0.3249754), wk = 0.0034483 k( 87) = ( 0.6674149 0.5000000 0.3325851), wk = 0.0034483 k( 88) = ( 0.6598051 0.5000000 0.3401949), wk = 0.0034483 k( 89) = ( 0.6521953 0.5000000 0.3478047), wk = 0.0034483 k( 90) = ( 0.6445856 0.5000000 0.3554144), wk = 0.0034483 k( 91) = ( 0.6369758 0.5000000 0.3630242), wk = 0.0034483 k( 92) = ( 0.6293660 0.5000000 0.3706340), wk = 0.0034483 k( 93) = ( 0.6217563 0.5000000 0.3782437), wk = 0.0034483 k( 94) = ( 0.6141465 0.5000000 0.3858535), wk = 0.0034483 k( 95) = ( 0.6065367 0.5000000 0.3934633), wk = 0.0034483 k( 96) = ( 0.5989270 0.5000000 0.4010730), wk = 0.0034483 k( 97) = ( 0.5913172 0.5000000 0.4086828), wk = 0.0034483 k( 98) = ( 0.5837074 0.5000000 0.4162926), wk = 0.0034483 k( 99) = ( 0.5760977 0.5000000 0.4239023), wk = 0.0034483 k( 100) = ( 0.5684879 0.5000000 0.4315121), wk = 0.0034483 k( 101) = ( 0.5608781 0.5000000 0.4391219), wk = 0.0034483 k( 102) = ( 0.5532684 0.5000000 0.4467316), wk = 0.0034483 k( 103) = ( 0.5456586 0.5000000 0.4543414), wk = 0.0034483 k( 104) = ( 0.5380488 0.5000000 0.4619512), wk = 0.0034483 k( 105) = ( 0.5304391 0.5000000 0.4695609), wk = 0.0034483 k( 106) = ( 0.5228293 0.5000000 0.4771707), wk = 0.0034483 k( 107) = ( 0.5152195 0.5000000 0.4847805), wk = 0.0034483 k( 108) = ( 0.5076098 0.5000000 0.4923902), wk = 0.0034483 k( 109) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034483 k( 110) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034483 k( 111) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0034483 k( 112) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0034483 k( 113) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0034483 k( 114) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0034483 k( 115) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0034483 k( 116) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0034483 k( 117) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0034483 k( 118) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0034483 k( 119) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0034483 k( 120) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0034483 k( 121) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0034483 k( 122) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034483 k( 123) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0034483 k( 124) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0034483 k( 125) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0034483 k( 126) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0034483 k( 127) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0034483 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034483 k( 129) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0034483 k( 130) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0034483 k( 131) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0034483 k( 132) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0034483 k( 133) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0034483 k( 134) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0034483 k( 135) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0034483 k( 136) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0034483 k( 137) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0034483 k( 138) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0034483 k( 139) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0034483 k( 140) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0034483 k( 141) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0034483 k( 142) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0034483 k( 143) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0034483 k( 144) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0034483 k( 145) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0034483 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 148) = ( 0.0074863 -0.0000000 -0.0074863), wk = 0.0034483 k( 149) = ( 0.0149726 -0.0000000 -0.0149726), wk = 0.0034483 k( 150) = ( 0.0224589 0.0000000 -0.0224589), wk = 0.0034483 k( 151) = ( 0.0299452 -0.0000000 -0.0299452), wk = 0.0034483 k( 152) = ( 0.0374315 0.0000000 -0.0374315), wk = 0.0034483 k( 153) = ( 0.0449179 0.0000000 -0.0449179), wk = 0.0034483 k( 154) = ( 0.0524041 0.0000000 -0.0524042), wk = 0.0034483 k( 155) = ( 0.0598905 -0.0000000 -0.0598905), wk = 0.0034483 k( 156) = ( 0.0673768 0.0000000 -0.0673768), wk = 0.0034483 k( 157) = ( 0.0748631 0.0000000 -0.0748631), wk = 0.0034483 k( 158) = ( 0.0823494 -0.0000000 -0.0823494), wk = 0.0034483 k( 159) = ( 0.0898357 -0.0000000 -0.0898357), wk = 0.0034483 k( 160) = ( 0.0973220 0.0000000 -0.0973220), wk = 0.0034483 k( 161) = ( 0.1048083 0.0000000 -0.1048083), wk = 0.0034483 k( 162) = ( 0.1122946 0.0000000 -0.1122946), wk = 0.0034483 k( 163) = ( 0.1197809 -0.0000000 -0.1197809), wk = 0.0034483 k( 164) = ( 0.1272672 0.0000000 -0.1272672), wk = 0.0034483 k( 165) = ( 0.1347535 0.0000000 -0.1347535), wk = 0.0034483 k( 166) = ( 0.1422399 0.0000000 -0.1422399), wk = 0.0034483 k( 167) = ( 0.1497262 0.0000000 -0.1497262), wk = 0.0034483 k( 168) = ( 0.1572125 -0.0000000 -0.1572125), wk = 0.0034483 k( 169) = ( 0.1646988 -0.0000000 -0.1646988), wk = 0.0034483 k( 170) = ( 0.1721851 -0.0000000 -0.1721851), wk = 0.0034483 k( 171) = ( 0.1796714 -0.0000000 -0.1796714), wk = 0.0034483 k( 172) = ( 0.1871577 -0.0000000 -0.1871577), wk = 0.0034483 k( 173) = ( 0.1946440 0.0000000 -0.1946440), wk = 0.0034483 k( 174) = ( 0.2021303 -0.0000000 -0.2021303), wk = 0.0034483 k( 175) = ( 0.2096166 0.0000000 -0.2096166), wk = 0.0034483 k( 176) = ( 0.2171029 -0.0000000 -0.2171029), wk = 0.0034483 k( 177) = ( 0.2245892 -0.0000000 -0.2245892), wk = 0.0034483 k( 178) = ( 0.2320755 -0.0000000 -0.2320755), wk = 0.0034483 k( 179) = ( 0.2395618 -0.0000000 -0.2395619), wk = 0.0034483 k( 180) = ( 0.2470482 -0.0000000 -0.2470482), wk = 0.0034483 k( 181) = ( 0.2545345 0.0000000 -0.2545345), wk = 0.0034483 k( 182) = ( 0.2620208 0.0000000 -0.2620208), wk = 0.0034483 k( 183) = ( 0.2695071 0.0000000 -0.2695071), wk = 0.0034483 k( 184) = ( 0.2769934 -0.0000000 -0.2769934), wk = 0.0034483 k( 185) = ( 0.2844797 0.0000000 -0.2844797), wk = 0.0034483 k( 186) = ( 0.2919660 -0.0000000 -0.2919660), wk = 0.0034483 k( 187) = ( 0.2994523 -0.0000000 -0.2994523), wk = 0.0034483 k( 188) = ( 0.3069386 -0.0000000 -0.3069386), wk = 0.0034483 k( 189) = ( 0.3144249 -0.0000000 -0.3144249), wk = 0.0034483 k( 190) = ( 0.3219112 -0.0000000 -0.3219112), wk = 0.0034483 k( 191) = ( 0.3293975 -0.0000000 -0.3293975), wk = 0.0034483 k( 192) = ( 0.3368838 -0.0000000 -0.3368838), wk = 0.0034483 k( 193) = ( 0.3443702 -0.0000000 -0.3443702), wk = 0.0034483 k( 194) = ( 0.3518565 -0.0000000 -0.3518565), wk = 0.0034483 k( 195) = ( 0.3593428 0.0000000 -0.3593428), wk = 0.0034483 k( 196) = ( 0.3668291 -0.0000000 -0.3668291), wk = 0.0034483 k( 197) = ( 0.6331709 0.3668291 -0.0000000), wk = 0.0034483 k( 198) = ( 0.6257725 0.3742275 -0.0000000), wk = 0.0034483 k( 199) = ( 0.6183741 0.3816259 -0.0000000), wk = 0.0034483 k( 200) = ( 0.6109758 0.3890242 -0.0000000), wk = 0.0034483 k( 201) = ( 0.6035774 0.3964226 -0.0000000), wk = 0.0034483 k( 202) = ( 0.5961790 0.4038210 -0.0000000), wk = 0.0034483 k( 203) = ( 0.5887806 0.4112194 -0.0000000), wk = 0.0034483 k( 204) = ( 0.5813822 0.4186178 -0.0000000), wk = 0.0034483 k( 205) = ( 0.5739838 0.4260162 -0.0000000), wk = 0.0034483 k( 206) = ( 0.5665855 0.4334145 -0.0000000), wk = 0.0034483 k( 207) = ( 0.5591871 0.4408129 -0.0000000), wk = 0.0034483 k( 208) = ( 0.5517887 0.4482113 -0.0000000), wk = 0.0034483 k( 209) = ( 0.5443903 0.4556097 -0.0000000), wk = 0.0034483 k( 210) = ( 0.5369919 0.4630081 -0.0000000), wk = 0.0034483 k( 211) = ( 0.5295935 0.4704065 -0.0000000), wk = 0.0034483 k( 212) = ( 0.5221952 0.4778049 -0.0000000), wk = 0.0034483 k( 213) = ( 0.5147968 0.4852032 -0.0000000), wk = 0.0034483 k( 214) = ( 0.5073984 0.4926016 -0.0000000), wk = 0.0034483 k( 215) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034483 k( 216) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034483 k( 217) = ( 0.5088781 0.5088781 0.0155772), wk = 0.0034483 k( 218) = ( 0.5177561 0.5177561 0.0311544), wk = 0.0034483 k( 219) = ( 0.5266342 0.5266342 0.0467316), wk = 0.0034483 k( 220) = ( 0.5355123 0.5355123 0.0623088), wk = 0.0034483 k( 221) = ( 0.5443903 0.5443903 0.0778860), wk = 0.0034483 k( 222) = ( 0.5532684 0.5532684 0.0934633), wk = 0.0034483 k( 223) = ( 0.5621464 0.5621464 0.1090405), wk = 0.0034483 k( 224) = ( 0.5710245 0.5710245 0.1246177), wk = 0.0034483 k( 225) = ( 0.5799026 0.5799026 0.1401949), wk = 0.0034483 k( 226) = ( 0.5887806 0.5887806 0.1557721), wk = 0.0034483 k( 227) = ( 0.5976587 0.5976587 0.1713493), wk = 0.0034483 k( 228) = ( 0.6065367 0.6065367 0.1869265), wk = 0.0034483 k( 229) = ( 0.6154148 0.6154148 0.2025037), wk = 0.0034483 k( 230) = ( 0.6242929 0.6242929 0.2180809), wk = 0.0034483 k( 231) = ( 0.6331709 0.6331709 0.2336582), wk = 0.0034483 k( 232) = ( 0.6331709 0.6331709 0.2336582), wk = 0.0034483 k( 233) = ( 0.6288751 0.6288751 0.2422498), wk = 0.0034483 k( 234) = ( 0.6245793 0.6245793 0.2508415), wk = 0.0034483 k( 235) = ( 0.6202834 0.6202834 0.2594332), wk = 0.0034483 k( 236) = ( 0.6159876 0.6159876 0.2680248), wk = 0.0034483 k( 237) = ( 0.6116917 0.6116917 0.2766165), wk = 0.0034483 k( 238) = ( 0.6073959 0.6073959 0.2852082), wk = 0.0034483 k( 239) = ( 0.6031001 0.6031001 0.2937999), wk = 0.0034483 k( 240) = ( 0.5988042 0.5988042 0.3023915), wk = 0.0034483 k( 241) = ( 0.5945084 0.5945084 0.3109832), wk = 0.0034483 k( 242) = ( 0.5902126 0.5902126 0.3195749), wk = 0.0034483 k( 243) = ( 0.5859167 0.5859167 0.3281666), wk = 0.0034483 k( 244) = ( 0.5816209 0.5816209 0.3367582), wk = 0.0034483 k( 245) = ( 0.5773251 0.5773251 0.3453499), wk = 0.0034483 k( 246) = ( 0.5730292 0.5730292 0.3539416), wk = 0.0034483 k( 247) = ( 0.5687334 0.5687334 0.3625333), wk = 0.0034483 k( 248) = ( 0.5644375 0.5644375 0.3711249), wk = 0.0034483 k( 249) = ( 0.5601417 0.5601417 0.3797166), wk = 0.0034483 k( 250) = ( 0.5558459 0.5558459 0.3883083), wk = 0.0034483 k( 251) = ( 0.5515500 0.5515500 0.3968999), wk = 0.0034483 k( 252) = ( 0.5472542 0.5472542 0.4054916), wk = 0.0034483 k( 253) = ( 0.5429584 0.5429584 0.4140833), wk = 0.0034483 k( 254) = ( 0.5386625 0.5386625 0.4226749), wk = 0.0034483 k( 255) = ( 0.5343667 0.5343667 0.4312666), wk = 0.0034483 k( 256) = ( 0.5300708 0.5300708 0.4398583), wk = 0.0034483 k( 257) = ( 0.5257750 0.5257750 0.4484500), wk = 0.0034483 k( 258) = ( 0.5214792 0.5214792 0.4570416), wk = 0.0034483 k( 259) = ( 0.5171833 0.5171833 0.4656333), wk = 0.0034483 k( 260) = ( 0.5128875 0.5128875 0.4742250), wk = 0.0034483 k( 261) = ( 0.5085917 0.5085917 0.4828167), wk = 0.0034483 k( 262) = ( 0.5042958 0.5042958 0.4914083), wk = 0.0034483 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034483 k( 264) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034483 k( 265) = ( 0.5102439 0.0141088 0.0141088), wk = 0.0034483 k( 266) = ( 0.5204878 0.0282176 0.0282176), wk = 0.0034483 k( 267) = ( 0.5307317 0.0423264 0.0423264), wk = 0.0034483 k( 268) = ( 0.5409757 0.0564352 0.0564352), wk = 0.0034483 k( 269) = ( 0.5512196 0.0705440 0.0705440), wk = 0.0034483 k( 270) = ( 0.5614635 0.0846529 0.0846529), wk = 0.0034483 k( 271) = ( 0.5717074 0.0987617 0.0987617), wk = 0.0034483 k( 272) = ( 0.5819513 0.1128705 0.1128705), wk = 0.0034483 k( 273) = ( 0.5921952 0.1269793 0.1269793), wk = 0.0034483 k( 274) = ( 0.6024392 0.1410881 0.1410881), wk = 0.0034483 k( 275) = ( 0.6126831 0.1551969 0.1551969), wk = 0.0034483 k( 276) = ( 0.6229270 0.1693057 0.1693057), wk = 0.0034483 k( 277) = ( 0.6331709 0.1834145 0.1834145), wk = 0.0034483 k( 278) = ( 0.6434148 0.1975234 0.1975233), wk = 0.0034483 k( 279) = ( 0.6536587 0.2116322 0.2116322), wk = 0.0034483 k( 280) = ( 0.6639027 0.2257410 0.2257410), wk = 0.0034483 k( 281) = ( 0.6741466 0.2398498 0.2398498), wk = 0.0034483 k( 282) = ( 0.6843905 0.2539586 0.2539586), wk = 0.0034483 k( 283) = ( 0.6946344 0.2680674 0.2680674), wk = 0.0034483 k( 284) = ( 0.7048783 0.2821762 0.2821762), wk = 0.0034483 k( 285) = ( 0.7151222 0.2962850 0.2962850), wk = 0.0034483 k( 286) = ( 0.7253662 0.3103938 0.3103938), wk = 0.0034483 k( 287) = ( 0.7356101 0.3245027 0.3245027), wk = 0.0034483 k( 288) = ( 0.7458540 0.3386115 0.3386115), wk = 0.0034483 k( 289) = ( 0.7560979 0.3527203 0.3527203), wk = 0.0034483 k( 290) = ( 0.7663418 0.3668291 0.3668291), wk = 0.0034483 Dense grid: 57677 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 25483 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 186, 58) NL pseudopotentials 0.31 Mb ( 93, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1603) G-vector shells 0.01 Mb ( 1343) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.66 Mb ( 186, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.39 Mb ( 220, 2, 58) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Al2O3.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 7.1 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 secs Computing kpt #: 10 total cpu time spent up to now is 8.4 secs Computing kpt #: 11 total cpu time spent up to now is 9.2 secs Computing kpt #: 12 total cpu time spent up to now is 9.9 secs Computing kpt #: 13 total cpu time spent up to now is 10.6 secs Computing kpt #: 14 total cpu time spent up to now is 11.4 secs Computing kpt #: 15 total cpu time spent up to now is 12.1 secs Computing kpt #: 16 total cpu time spent up to now is 12.8 secs Computing kpt #: 17 total cpu time spent up to now is 13.5 secs Computing kpt #: 18 total cpu time spent up to now is 14.2 secs Computing kpt #: 19 total cpu time spent up to now is 14.9 secs Computing kpt #: 20 total cpu time spent up to now is 15.6 secs Computing kpt #: 21 total cpu time spent up to now is 16.3 secs Computing kpt #: 22 total cpu time spent up to now is 17.0 secs Computing kpt #: 23 total cpu time spent up to now is 17.7 secs Computing kpt #: 24 total cpu time spent up to now is 18.5 secs Computing kpt #: 25 total cpu time spent up to now is 19.2 secs Computing kpt #: 26 total cpu time spent up to now is 20.0 secs Computing kpt #: 27 total cpu time spent up to now is 20.7 secs Computing kpt #: 28 total cpu time spent up to now is 21.4 secs Computing kpt #: 29 total cpu time spent up to now is 22.2 secs Computing kpt #: 30 total cpu time spent up to now is 22.9 secs Computing kpt #: 31 total cpu time spent up to now is 23.6 secs Computing kpt #: 32 total cpu time spent up to now is 24.3 secs Computing kpt #: 33 total cpu time spent up to now is 25.1 secs Computing kpt #: 34 total cpu time spent up to now is 25.8 secs Computing kpt #: 35 total cpu time spent up to now is 26.5 secs Computing kpt #: 36 total cpu time spent up to now is 27.2 secs Computing kpt #: 37 total cpu time spent up to now is 27.9 secs Computing kpt #: 38 total cpu time spent up to now is 28.6 secs Computing kpt #: 39 total cpu time spent up to now is 29.3 secs Computing kpt #: 40 total cpu time spent up to now is 30.1 secs Computing kpt #: 41 total cpu time spent up to now is 30.7 secs Computing kpt #: 42 total cpu time spent up to now is 31.3 secs Computing kpt #: 43 total cpu time spent up to now is 32.0 secs Computing kpt #: 44 total cpu time spent up to now is 32.8 secs Computing kpt #: 45 total cpu time spent up to now is 33.6 secs Computing kpt #: 46 total cpu time spent up to now is 34.3 secs Computing kpt #: 47 total cpu time spent up to now is 35.1 secs Computing kpt #: 48 total cpu time spent up to now is 35.8 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 37.5 secs Computing kpt #: 50 total cpu time spent up to now is 38.3 secs Computing kpt #: 51 total cpu time spent up to now is 39.0 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 40.7 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 42.4 secs Computing kpt #: 54 total cpu time spent up to now is 43.2 secs Computing kpt #: 55 total cpu time spent up to now is 43.9 secs Computing kpt #: 56 total cpu time spent up to now is 44.7 secs Computing kpt #: 57 total cpu time spent up to now is 45.5 secs Computing kpt #: 58 total cpu time spent up to now is 46.2 secs Computing kpt #: 59 total cpu time spent up to now is 47.0 secs Computing kpt #: 60 total cpu time spent up to now is 47.8 secs Computing kpt #: 61 total cpu time spent up to now is 48.5 secs Computing kpt #: 62 total cpu time spent up to now is 49.3 secs Computing kpt #: 63 total cpu time spent up to now is 50.0 secs Computing kpt #: 64 total cpu time spent up to now is 50.8 secs Computing kpt #: 65 total cpu time spent up to now is 51.5 secs Computing kpt #: 66 total cpu time spent up to now is 52.3 secs Computing kpt #: 67 total cpu time spent up to now is 53.0 secs Computing kpt #: 68 total cpu time spent up to now is 53.8 secs Computing kpt #: 69 total cpu time spent up to now is 54.5 secs Computing kpt #: 70 total cpu time spent up to now is 55.2 secs Computing kpt #: 71 total cpu time spent up to now is 56.0 secs Computing kpt #: 72 total cpu time spent up to now is 56.7 secs Computing kpt #: 73 total cpu time spent up to now is 57.4 secs Computing kpt #: 74 total cpu time spent up to now is 58.1 secs Computing kpt #: 75 total cpu time spent up to now is 58.8 secs Computing kpt #: 76 total cpu time spent up to now is 59.5 secs Computing kpt #: 77 total cpu time spent up to now is 60.2 secs Computing kpt #: 78 total cpu time spent up to now is 60.9 secs Computing kpt #: 79 total cpu time spent up to now is 61.7 secs Computing kpt #: 80 total cpu time spent up to now is 62.4 secs Computing kpt #: 81 total cpu time spent up to now is 63.1 secs Computing kpt #: 82 total cpu time spent up to now is 63.8 secs Computing kpt #: 83 total cpu time spent up to now is 64.5 secs Computing kpt #: 84 total cpu time spent up to now is 65.1 secs Computing kpt #: 85 total cpu time spent up to now is 65.9 secs Computing kpt #: 86 total cpu time spent up to now is 66.6 secs Computing kpt #: 87 total cpu time spent up to now is 67.3 secs Computing kpt #: 88 total cpu time spent up to now is 68.0 secs Computing kpt #: 89 total cpu time spent up to now is 68.7 secs Computing kpt #: 90 total cpu time spent up to now is 69.4 secs Computing kpt #: 91 total cpu time spent up to now is 70.1 secs Computing kpt #: 92 total cpu time spent up to now is 70.8 secs Computing kpt #: 93 total cpu time spent up to now is 71.5 secs Computing kpt #: 94 total cpu time spent up to now is 72.2 secs Computing kpt #: 95 total cpu time spent up to now is 72.9 secs Computing kpt #: 96 total cpu time spent up to now is 73.4 secs Computing kpt #: 97 total cpu time spent up to now is 74.0 secs Computing kpt #: 98 total cpu time spent up to now is 74.6 secs Computing kpt #: 99 total cpu time spent up to now is 75.2 secs Computing kpt #: 100 total cpu time spent up to now is 75.7 secs Computing kpt #: 101 total cpu time spent up to now is 76.3 secs Computing kpt #: 102 total cpu time spent up to now is 76.9 secs Computing kpt #: 103 total cpu time spent up to now is 77.5 secs Computing kpt #: 104 total cpu time spent up to now is 78.1 secs Computing kpt #: 105 total cpu time spent up to now is 78.8 secs Computing kpt #: 106 total cpu time spent up to now is 79.5 secs Computing kpt #: 107 total cpu time spent up to now is 80.2 secs Computing kpt #: 108 total cpu time spent up to now is 80.9 secs Computing kpt #: 109 total cpu time spent up to now is 81.6 secs Computing kpt #: 110 total cpu time spent up to now is 82.2 secs Computing kpt #: 111 total cpu time spent up to now is 82.9 secs Computing kpt #: 112 total cpu time spent up to now is 83.6 secs Computing kpt #: 113 total cpu time spent up to now is 84.3 secs Computing kpt #: 114 total cpu time spent up to now is 84.9 secs Computing kpt #: 115 total cpu time spent up to now is 85.6 secs Computing kpt #: 116 total cpu time spent up to now is 86.3 secs Computing kpt #: 117 total cpu time spent up to now is 87.0 secs Computing kpt #: 118 total cpu time spent up to now is 87.7 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.4 secs Computing kpt #: 120 total cpu time spent up to now is 90.1 secs Computing kpt #: 121 total cpu time spent up to now is 90.8 secs Computing kpt #: 122 total cpu time spent up to now is 91.4 secs Computing kpt #: 123 total cpu time spent up to now is 92.1 secs Computing kpt #: 124 total cpu time spent up to now is 92.8 secs Computing kpt #: 125 total cpu time spent up to now is 93.4 secs Computing kpt #: 126 total cpu time spent up to now is 94.1 secs Computing kpt #: 127 total cpu time spent up to now is 94.8 secs Computing kpt #: 128 total cpu time spent up to now is 95.6 secs Computing kpt #: 129 total cpu time spent up to now is 96.3 secs Computing kpt #: 130 total cpu time spent up to now is 97.1 secs Computing kpt #: 131 total cpu time spent up to now is 97.8 secs Computing kpt #: 132 total cpu time spent up to now is 98.6 secs Computing kpt #: 133 total cpu time spent up to now is 99.3 secs Computing kpt #: 134 total cpu time spent up to now is 100.0 secs Computing kpt #: 135 total cpu time spent up to now is 100.7 secs Computing kpt #: 136 total cpu time spent up to now is 101.4 secs Computing kpt #: 137 total cpu time spent up to now is 102.1 secs Computing kpt #: 138 total cpu time spent up to now is 102.8 secs Computing kpt #: 139 total cpu time spent up to now is 103.3 secs Computing kpt #: 140 total cpu time spent up to now is 103.9 secs Computing kpt #: 141 total cpu time spent up to now is 104.5 secs Computing kpt #: 142 total cpu time spent up to now is 105.1 secs Computing kpt #: 143 total cpu time spent up to now is 105.7 secs Computing kpt #: 144 total cpu time spent up to now is 106.4 secs Computing kpt #: 145 total cpu time spent up to now is 107.0 secs Computing kpt #: 146 total cpu time spent up to now is 107.6 secs Computing kpt #: 147 total cpu time spent up to now is 108.2 secs Computing kpt #: 148 total cpu time spent up to now is 108.9 secs Computing kpt #: 149 total cpu time spent up to now is 109.5 secs Computing kpt #: 150 total cpu time spent up to now is 110.1 secs Computing kpt #: 151 total cpu time spent up to now is 110.7 secs Computing kpt #: 152 total cpu time spent up to now is 111.4 secs Computing kpt #: 153 total cpu time spent up to now is 112.0 secs Computing kpt #: 154 total cpu time spent up to now is 112.6 secs Computing kpt #: 155 total cpu time spent up to now is 113.2 secs Computing kpt #: 156 total cpu time spent up to now is 113.8 secs Computing kpt #: 157 total cpu time spent up to now is 114.6 secs Computing kpt #: 158 total cpu time spent up to now is 115.2 secs Computing kpt #: 159 total cpu time spent up to now is 118.7 secs Computing kpt #: 160 total cpu time spent up to now is 119.4 secs Computing kpt #: 161 total cpu time spent up to now is 120.2 secs Computing kpt #: 162 total cpu time spent up to now is 120.9 secs Computing kpt #: 163 total cpu time spent up to now is 121.6 secs Computing kpt #: 164 total cpu time spent up to now is 122.3 secs Computing kpt #: 165 total cpu time spent up to now is 123.0 secs Computing kpt #: 166 total cpu time spent up to now is 123.8 secs Computing kpt #: 167 total cpu time spent up to now is 124.5 secs Computing kpt #: 168 total cpu time spent up to now is 125.2 secs Computing kpt #: 169 total cpu time spent up to now is 126.0 secs Computing kpt #: 170 total cpu time spent up to now is 126.7 secs Computing kpt #: 171 total cpu time spent up to now is 127.5 secs Computing kpt #: 172 total cpu time spent up to now is 128.3 secs Computing kpt #: 173 total cpu time spent up to now is 129.0 secs Computing kpt #: 174 total cpu time spent up to now is 129.8 secs Computing kpt #: 175 total cpu time spent up to now is 130.6 secs Computing kpt #: 176 total cpu time spent up to now is 131.3 secs Computing kpt #: 177 total cpu time spent up to now is 132.1 secs Computing kpt #: 178 total cpu time spent up to now is 132.8 secs Computing kpt #: 179 total cpu time spent up to now is 133.5 secs Computing kpt #: 180 total cpu time spent up to now is 134.3 secs Computing kpt #: 181 total cpu time spent up to now is 135.0 secs Computing kpt #: 182 total cpu time spent up to now is 135.7 secs Computing kpt #: 183 total cpu time spent up to now is 136.4 secs Computing kpt #: 184 total cpu time spent up to now is 137.2 secs Computing kpt #: 185 total cpu time spent up to now is 137.8 secs Computing kpt #: 186 total cpu time spent up to now is 138.5 secs Computing kpt #: 187 total cpu time spent up to now is 139.2 secs Computing kpt #: 188 total cpu time spent up to now is 139.9 secs Computing kpt #: 189 total cpu time spent up to now is 140.6 secs Computing kpt #: 190 total cpu time spent up to now is 141.4 secs Computing kpt #: 191 total cpu time spent up to now is 142.1 secs Computing kpt #: 192 total cpu time spent up to now is 143.0 secs Computing kpt #: 193 total cpu time spent up to now is 143.7 secs Computing kpt #: 194 total cpu time spent up to now is 144.5 secs Computing kpt #: 195 total cpu time spent up to now is 145.2 secs Computing kpt #: 196 total cpu time spent up to now is 145.9 secs Computing kpt #: 197 total cpu time spent up to now is 146.7 secs Computing kpt #: 198 total cpu time spent up to now is 147.4 secs Computing kpt #: 199 total cpu time spent up to now is 148.1 secs Computing kpt #: 200 total cpu time spent up to now is 148.8 secs Computing kpt #: 201 total cpu time spent up to now is 149.6 secs Computing kpt #: 202 total cpu time spent up to now is 150.3 secs Computing kpt #: 203 total cpu time spent up to now is 151.1 secs Computing kpt #: 204 total cpu time spent up to now is 151.8 secs Computing kpt #: 205 total cpu time spent up to now is 152.5 secs Computing kpt #: 206 total cpu time spent up to now is 153.3 secs Computing kpt #: 207 total cpu time spent up to now is 154.0 secs Computing kpt #: 208 total cpu time spent up to now is 154.8 secs Computing kpt #: 209 total cpu time spent up to now is 155.5 secs Computing kpt #: 210 total cpu time spent up to now is 156.2 secs Computing kpt #: 211 total cpu time spent up to now is 156.9 secs Computing kpt #: 212 total cpu time spent up to now is 157.7 secs Computing kpt #: 213 total cpu time spent up to now is 158.4 secs Computing kpt #: 214 total cpu time spent up to now is 159.0 secs Computing kpt #: 215 total cpu time spent up to now is 159.8 secs Computing kpt #: 216 total cpu time spent up to now is 160.5 secs Computing kpt #: 217 total cpu time spent up to now is 161.1 secs Computing kpt #: 218 total cpu time spent up to now is 161.8 secs Computing kpt #: 219 total cpu time spent up to now is 162.4 secs Computing kpt #: 220 total cpu time spent up to now is 163.1 secs Computing kpt #: 221 total cpu time spent up to now is 163.7 secs Computing kpt #: 222 total cpu time spent up to now is 164.4 secs Computing kpt #: 223 total cpu time spent up to now is 165.0 secs Computing kpt #: 224 total cpu time spent up to now is 165.6 secs Computing kpt #: 225 total cpu time spent up to now is 166.3 secs Computing kpt #: 226 total cpu time spent up to now is 166.9 secs Computing kpt #: 227 total cpu time spent up to now is 167.5 secs Computing kpt #: 228 total cpu time spent up to now is 168.1 secs Computing kpt #: 229 total cpu time spent up to now is 168.8 secs Computing kpt #: 230 total cpu time spent up to now is 169.4 secs Computing kpt #: 231 total cpu time spent up to now is 170.0 secs Computing kpt #: 232 total cpu time spent up to now is 170.6 secs Computing kpt #: 233 total cpu time spent up to now is 171.3 secs Computing kpt #: 234 total cpu time spent up to now is 171.9 secs Computing kpt #: 235 total cpu time spent up to now is 172.5 secs Computing kpt #: 236 total cpu time spent up to now is 173.1 secs Computing kpt #: 237 total cpu time spent up to now is 173.7 secs Computing kpt #: 238 total cpu time spent up to now is 174.4 secs Computing kpt #: 239 total cpu time spent up to now is 175.0 secs Computing kpt #: 240 total cpu time spent up to now is 175.7 secs Computing kpt #: 241 total cpu time spent up to now is 176.3 secs Computing kpt #: 242 total cpu time spent up to now is 177.0 secs Computing kpt #: 243 total cpu time spent up to now is 177.6 secs Computing kpt #: 244 total cpu time spent up to now is 178.3 secs Computing kpt #: 245 total cpu time spent up to now is 178.9 secs Computing kpt #: 246 total cpu time spent up to now is 179.6 secs Computing kpt #: 247 total cpu time spent up to now is 180.2 secs Computing kpt #: 248 total cpu time spent up to now is 180.8 secs Computing kpt #: 249 total cpu time spent up to now is 181.5 secs Computing kpt #: 250 total cpu time spent up to now is 182.1 secs Computing kpt #: 251 total cpu time spent up to now is 182.8 secs Computing kpt #: 252 total cpu time spent up to now is 183.4 secs Computing kpt #: 253 total cpu time spent up to now is 184.0 secs Computing kpt #: 254 total cpu time spent up to now is 184.7 secs Computing kpt #: 255 total cpu time spent up to now is 185.4 secs Computing kpt #: 256 total cpu time spent up to now is 186.1 secs Computing kpt #: 257 total cpu time spent up to now is 186.8 secs Computing kpt #: 258 total cpu time spent up to now is 187.5 secs Computing kpt #: 259 total cpu time spent up to now is 188.5 secs Computing kpt #: 260 total cpu time spent up to now is 189.2 secs Computing kpt #: 261 total cpu time spent up to now is 190.1 secs Computing kpt #: 262 total cpu time spent up to now is 191.1 secs Computing kpt #: 263 total cpu time spent up to now is 191.8 secs Computing kpt #: 264 total cpu time spent up to now is 192.5 secs Computing kpt #: 265 total cpu time spent up to now is 193.2 secs Computing kpt #: 266 total cpu time spent up to now is 193.8 secs Computing kpt #: 267 total cpu time spent up to now is 194.5 secs Computing kpt #: 268 total cpu time spent up to now is 195.2 secs Computing kpt #: 269 total cpu time spent up to now is 195.9 secs Computing kpt #: 270 total cpu time spent up to now is 196.6 secs Computing kpt #: 271 total cpu time spent up to now is 197.2 secs Computing kpt #: 272 total cpu time spent up to now is 197.9 secs Computing kpt #: 273 total cpu time spent up to now is 198.5 secs Computing kpt #: 274 total cpu time spent up to now is 199.2 secs Computing kpt #: 275 total cpu time spent up to now is 199.8 secs Computing kpt #: 276 total cpu time spent up to now is 200.4 secs Computing kpt #: 277 total cpu time spent up to now is 201.0 secs Computing kpt #: 278 total cpu time spent up to now is 201.6 secs Computing kpt #: 279 total cpu time spent up to now is 202.3 secs Computing kpt #: 280 total cpu time spent up to now is 202.9 secs Computing kpt #: 281 total cpu time spent up to now is 203.5 secs Computing kpt #: 282 total cpu time spent up to now is 204.1 secs Computing kpt #: 283 total cpu time spent up to now is 204.7 secs Computing kpt #: 284 total cpu time spent up to now is 205.3 secs Computing kpt #: 285 total cpu time spent up to now is 205.9 secs Computing kpt #: 286 total cpu time spent up to now is 206.6 secs Computing kpt #: 287 total cpu time spent up to now is 207.2 secs Computing kpt #: 288 total cpu time spent up to now is 207.8 secs Computing kpt #: 289 total cpu time spent up to now is 208.4 secs Computing kpt #: 290 total cpu time spent up to now is 209.1 secs ethr = 2.08E-08, avg # of iterations = 25.3 total cpu time spent up to now is 209.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3211 PWs) bands (ev): -21.8807 -21.8807 -21.6163 -21.6163 -9.9072 -9.9072 -9.9036 -9.9036 -9.3352 -9.3352 -9.3336 -9.3336 -3.5188 -3.5188 -2.6229 -2.6229 -1.7213 -1.7213 -0.4043 -0.4043 0.6981 0.6981 0.7082 0.7082 0.8165 0.8165 0.8303 0.8303 3.5309 3.5309 3.5328 3.5328 4.6896 4.6896 4.6933 4.6933 9.3340 9.3340 10.1789 10.1789 10.4705 10.4705 11.2829 11.2829 11.8279 11.8279 11.8425 11.8425 12.7036 12.7036 12.7257 12.7257 14.6520 14.6520 15.4723 15.4723 15.4742 15.4742 k = 0.0125-0.0087-0.0059 ( 3206 PWs) bands (ev): -21.8806 -21.8806 -21.6164 -21.6164 -9.9071 -9.9071 -9.9035 -9.9035 -9.3356 -9.3356 -9.3339 -9.3339 -3.5184 -3.5184 -2.6216 -2.6216 -1.7222 -1.7222 -0.4042 -0.4042 0.6989 0.6989 0.7090 0.7090 0.8169 0.8169 0.8307 0.8307 3.5308 3.5308 3.5327 3.5327 4.6887 4.6887 4.6924 4.6924 9.3355 9.3355 10.1731 10.1731 10.4712 10.4712 11.2562 11.2562 11.8324 11.8324 11.8633 11.8633 12.7047 12.7047 12.7279 12.7279 14.6498 14.6498 15.4700 15.4700 15.4753 15.4753 k = 0.0250-0.0173-0.0119 ( 3206 PWs) bands (ev): -21.8802 -21.8802 -21.6167 -21.6167 -9.9068 -9.9068 -9.9032 -9.9032 -9.3368 -9.3368 -9.3350 -9.3350 -3.5172 -3.5172 -2.6179 -2.6179 -1.7250 -1.7250 -0.4040 -0.4040 0.7013 0.7013 0.7115 0.7115 0.8180 0.8180 0.8319 0.8319 3.5304 3.5304 3.5324 3.5324 4.6860 4.6860 4.6897 4.6897 9.3400 9.3400 10.1561 10.1561 10.4735 10.4735 11.1876 11.1876 11.8306 11.8306 11.9295 11.9295 12.7032 12.7032 12.7390 12.7390 14.6430 14.6430 15.4616 15.4616 15.4807 15.4807 k = 0.0375-0.0260-0.0178 ( 3208 PWs) bands (ev): -21.8797 -21.8797 -21.6172 -21.6172 -9.9064 -9.9064 -9.9027 -9.9027 -9.3391 -9.3391 -9.3367 -9.3367 -3.5153 -3.5153 -2.6118 -2.6118 -1.7295 -1.7295 -0.4036 -0.4036 0.7054 0.7054 0.7156 0.7156 0.8197 0.8197 0.8341 0.8341 3.5299 3.5299 3.5319 3.5319 4.6813 4.6813 4.6853 4.6853 9.3473 9.3473 10.1283 10.1283 10.4772 10.4772 11.0957 11.0957 11.8258 11.8258 12.0193 12.0193 12.6954 12.6954 12.7622 12.7622 14.6317 14.6317 15.4496 15.4496 15.4899 15.4899 k = 0.0500-0.0347-0.0237 ( 3206 PWs) bands (ev): -21.8789 -21.8789 -21.6178 -21.6178 -9.9059 -9.9059 -9.9019 -9.9019 -9.3424 -9.3424 -9.3389 -9.3389 -3.5125 -3.5125 -2.6034 -2.6034 -1.7357 -1.7357 -0.4031 -0.4031 0.7109 0.7109 0.7214 0.7214 0.8219 0.8219 0.8374 0.8374 3.5292 3.5292 3.5312 3.5312 4.6745 4.6745 4.6794 4.6794 9.3572 9.3572 10.0907 10.0907 10.4822 10.4822 10.9924 10.9924 11.8189 11.8189 12.1199 12.1199 12.6828 12.6828 12.7953 12.7953 14.6158 14.6158 15.4365 15.4365 15.5027 15.5027 k = 0.0625-0.0434-0.0296 ( 3208 PWs) bands (ev): -21.8779 -21.8779 -21.6186 -21.6186 -9.9054 -9.9054 -9.9007 -9.9007 -9.3467 -9.3467 -9.3416 -9.3416 -3.5089 -3.5089 -2.5927 -2.5927 -1.7435 -1.7435 -0.4026 -0.4026 0.7177 0.7177 0.7289 0.7289 0.8244 0.8244 0.8420 0.8420 3.5282 3.5282 3.5303 3.5303 4.6658 4.6658 4.6720 4.6720 9.3697 9.3697 10.0443 10.0443 10.4883 10.4883 10.8839 10.8839 11.8101 11.8101 12.2251 12.2251 12.6662 12.6662 12.8365 12.8365 14.5952 14.5952 15.4247 15.4247 15.5190 15.5190 k = 0.0750-0.0520-0.0356 ( 3212 PWs) bands (ev): -21.8767 -21.8767 -21.6196 -21.6196 -9.9049 -9.9049 -9.8993 -9.8993 -9.3519 -9.3519 -9.3449 -9.3449 -3.5046 -3.5046 -2.5800 -2.5800 -1.7527 -1.7527 -0.4019 -0.4019 0.7259 0.7259 0.7379 0.7379 0.8271 0.8271 0.8479 0.8479 3.5271 3.5271 3.5293 3.5293 4.6550 4.6550 4.6632 4.6632 9.3842 9.3842 9.9903 9.9903 10.4956 10.4956 10.7736 10.7736 11.7995 11.7995 12.3315 12.3315 12.6460 12.6460 12.8844 12.8844 14.5704 14.5704 15.4162 15.4162 15.5388 15.5388 k = 0.0875-0.0607-0.0415 ( 3211 PWs) bands (ev): -21.8753 -21.8753 -21.6208 -21.6208 -9.9043 -9.9043 -9.8974 -9.8974 -9.3581 -9.3581 -9.3487 -9.3487 -3.4994 -3.4994 -2.5653 -2.5653 -1.7630 -1.7630 -0.4013 -0.4013 0.7352 0.7352 0.7484 0.7484 0.8302 0.8302 0.8552 0.8552 3.5257 3.5257 3.5281 3.5281 4.6423 4.6423 4.6528 4.6528 9.4002 9.4002 9.9298 9.9298 10.5040 10.5040 10.6635 10.6635 11.7872 11.7872 12.4369 12.4369 12.6226 12.6226 12.9376 12.9376 14.5420 14.5420 15.4123 15.4123 15.5619 15.5619 k = 0.1000-0.0694-0.0474 ( 3207 PWs) bands (ev): -21.8736 -21.8736 -21.6222 -21.6222 -9.9036 -9.9036 -9.8952 -9.8952 -9.3651 -9.3651 -9.3531 -9.3531 -3.4935 -3.4935 -2.5489 -2.5489 -1.7742 -1.7742 -0.4007 -0.4007 0.7456 0.7456 0.7603 0.7603 0.8337 0.8337 0.8637 0.8637 3.5242 3.5242 3.5268 3.5268 4.6277 4.6277 4.6409 4.6409 9.4171 9.4171 9.8639 9.8639 10.5134 10.5134 10.5557 10.5557 11.7734 11.7734 12.5388 12.5388 12.5972 12.5972 12.9947 12.9947 14.5110 14.5110 15.4139 15.4139 15.5882 15.5882 k = 0.1125-0.0780-0.0533 ( 3203 PWs) bands (ev): -21.8718 -21.8718 -21.6237 -21.6237 -9.9029 -9.9029 -9.8927 -9.8927 -9.3729 -9.3729 -9.3579 -9.3579 -3.4868 -3.4868 -2.5311 -2.5311 -1.7859 -1.7859 -0.4002 -0.4002 0.7569 0.7569 0.7733 0.7733 0.8378 0.8378 0.8735 0.8735 3.5226 3.5226 3.5254 3.5254 4.6113 4.6113 4.6276 4.6276 9.4337 9.4337 9.7935 9.7935 10.4512 10.4512 10.5244 10.5244 11.7583 11.7583 12.5643 12.5643 12.6417 12.6417 13.0544 13.0544 14.4789 14.4789 15.4212 15.4212 15.6175 15.6175 k = 0.1250-0.0867-0.0593 ( 3203 PWs) bands (ev): -21.8697 -21.8697 -21.6254 -21.6254 -9.9021 -9.9021 -9.8899 -9.8899 -9.3815 -9.3815 -9.3634 -9.3634 -3.4793 -3.4793 -2.5123 -2.5123 -1.7978 -1.7978 -0.3999 -0.3999 0.7689 0.7689 0.7874 0.7874 0.8428 0.8428 0.8845 0.8845 3.5207 3.5207 3.5240 3.5240 4.5931 4.5931 4.6129 4.6129 9.4483 9.4483 9.7196 9.7196 10.3530 10.3530 10.5361 10.5361 11.7419 11.7419 12.5330 12.5330 12.7352 12.7352 13.1154 13.1154 14.4474 14.4474 15.4341 15.4341 15.6496 15.6496 k = 0.1375-0.0954-0.0652 ( 3199 PWs) bands (ev): -21.8675 -21.8675 -21.6273 -21.6273 -9.9011 -9.9011 -9.8867 -9.8867 -9.3909 -9.3909 -9.3693 -9.3693 -3.4710 -3.4710 -2.4930 -2.4930 -1.8095 -1.8095 -0.3998 -0.3998 0.7814 0.7814 0.8023 0.8023 0.8489 0.8489 0.8966 0.8966 3.5188 3.5188 3.5225 3.5225 4.5733 4.5733 4.5968 4.5968 9.4585 9.4585 9.6430 9.6430 10.2633 10.2633 10.5490 10.5490 11.7245 11.7245 12.4986 12.4986 12.8228 12.8228 13.1765 13.1765 14.4185 14.4185 15.4523 15.4523 15.6843 15.6843 k = 0.1500-0.1040-0.0711 ( 3196 PWs) bands (ev): -21.8650 -21.8650 -21.6294 -21.6294 -9.9001 -9.9001 -9.8832 -9.8832 -9.4009 -9.4009 -9.3757 -9.3757 -3.4619 -3.4619 -2.4735 -2.4735 -1.8202 -1.8202 -0.4001 -0.4001 0.7940 0.7940 0.8178 0.8178 0.8564 0.8564 0.9097 0.9097 3.5167 3.5167 3.5211 3.5211 4.5520 4.5520 4.5793 4.5793 9.4610 9.4610 9.5645 9.5645 10.1858 10.1858 10.5630 10.5630 11.7061 11.7061 12.4620 12.4620 12.9023 12.9023 13.2364 13.2364 14.3944 14.3944 15.4753 15.4753 15.7212 15.7212 k = 0.1625-0.1127-0.0771 ( 3190 PWs) bands (ev): -21.8624 -21.8624 -21.6317 -21.6317 -9.8989 -9.8989 -9.8794 -9.8794 -9.4116 -9.4116 -9.3826 -9.3826 -3.4521 -3.4521 -2.4547 -2.4547 -1.8294 -1.8294 -0.4008 -0.4008 0.8063 0.8063 0.8337 0.8337 0.8658 0.8658 0.9239 0.9239 3.5145 3.5145 3.5197 3.5197 4.5291 4.5291 4.5605 4.5605 9.4515 9.4515 9.4850 9.4850 10.1248 10.1248 10.5781 10.5781 11.6871 11.6871 12.4236 12.4236 12.9717 12.9717 13.2941 13.2941 14.3776 14.3776 15.5026 15.5026 15.7596 15.7596 k = 0.1750-0.1214-0.0830 ( 3192 PWs) bands (ev): -21.8595 -21.8595 -21.6341 -21.6341 -9.8976 -9.8976 -9.8753 -9.8753 -9.4228 -9.4228 -9.3899 -9.3899 -3.4415 -3.4415 -2.4372 -2.4372 -1.8362 -1.8362 -0.4019 -0.4019 0.8177 0.8177 0.8499 0.8499 0.8775 0.8775 0.9389 0.9389 3.5123 3.5123 3.5184 3.5184 4.5048 4.5048 4.5404 4.5404 9.4034 9.4034 9.4278 9.4278 10.0840 10.0840 10.5943 10.5943 11.6674 11.6674 12.3836 12.3836 13.0293 13.0293 13.3483 13.3483 14.3702 14.3702 15.5338 15.5338 15.7949 15.7949 k = 0.1875-0.1301-0.0889 ( 3196 PWs) bands (ev): -21.8565 -21.8565 -21.6366 -21.6366 -9.8961 -9.8961 -9.8709 -9.8709 -9.4346 -9.4346 -9.3977 -9.3977 -3.4301 -3.4301 -2.4220 -2.4220 -1.8398 -1.8398 -0.4037 -0.4037 0.8282 0.8282 0.8664 0.8664 0.8915 0.8915 0.9548 0.9548 3.5100 3.5100 3.5172 3.5172 4.4792 4.4792 4.5191 4.5191 9.3231 9.3231 9.3858 9.3858 10.0651 10.0651 10.6115 10.6115 11.6474 11.6474 12.3423 12.3423 13.0735 13.0735 13.3979 13.3979 14.3744 14.3744 15.5683 15.5683 15.7886 15.7886 k = 0.2000-0.1387-0.0948 ( 3196 PWs) bands (ev): -21.8533 -21.8533 -21.6394 -21.6394 -9.8945 -9.8945 -9.8662 -9.8662 -9.4468 -9.4468 -9.4059 -9.4059 -3.4180 -3.4180 -2.4099 -2.4099 -1.8394 -1.8394 -0.4062 -0.4062 0.8377 0.8377 0.8831 0.8831 0.9075 0.9075 0.9714 0.9714 3.5078 3.5078 3.5163 3.5163 4.4524 4.4524 4.4967 4.4967 9.2427 9.2427 9.3291 9.3291 10.0661 10.0661 10.6297 10.6297 11.6271 11.6271 12.3000 12.3000 13.1033 13.1033 13.4418 13.4418 14.3915 14.3915 15.6058 15.6058 15.7477 15.7477 k = 0.2125-0.1474-0.1008 ( 3190 PWs) bands (ev): -21.8499 -21.8499 -21.6423 -21.6423 -9.8926 -9.8926 -9.8612 -9.8612 -9.4595 -9.4595 -9.4145 -9.4145 -3.4050 -3.4050 -2.4016 -2.4016 -1.8341 -1.8341 -0.4095 -0.4095 0.8467 0.8467 0.9000 0.9000 0.9251 0.9251 0.9887 0.9887 3.5056 3.5056 3.5155 3.5155 4.4245 4.4245 4.4732 4.4732 9.1630 9.1630 9.2612 9.2612 10.0834 10.0834 10.6490 10.6490 11.6069 11.6069 12.2569 12.2569 13.1188 13.1188 13.4790 13.4790 14.4221 14.4221 15.6456 15.6456 15.7089 15.7089 k = 0.2250-0.1561-0.1067 ( 3188 PWs) bands (ev): -21.8464 -21.8464 -21.6453 -21.6453 -9.8905 -9.8905 -9.8559 -9.8559 -9.4725 -9.4725 -9.4234 -9.4234 -3.3914 -3.3914 -2.3979 -2.3979 -1.8234 -1.8234 -0.4137 -0.4137 0.8553 0.8553 0.9168 0.9168 0.9440 0.9440 1.0065 1.0065 3.5035 3.5035 3.5151 3.5151 4.3957 4.3957 4.4487 4.4487 9.0843 9.0843 9.1862 9.1862 10.1128 10.1128 10.6692 10.6692 11.5867 11.5867 12.2133 12.2133 13.1207 13.1207 13.5084 13.5084 14.4655 14.4655 15.6757 15.6757 15.6879 15.6879 k = 0.2375-0.1647-0.1126 ( 3188 PWs) bands (ev): -21.8427 -21.8427 -21.6485 -21.6485 -9.8882 -9.8882 -9.8503 -9.8503 -9.4859 -9.4859 -9.4327 -9.4327 -3.3770 -3.3770 -2.3990 -2.3990 -1.8070 -1.8070 -0.4189 -0.4189 0.8639 0.8639 0.9334 0.9334 0.9638 0.9638 1.0246 1.0246 3.5016 3.5016 3.5150 3.5150 4.3659 4.3659 4.4233 4.4233 9.0071 9.0071 9.1074 9.1074 10.1511 10.1511 10.6903 10.6903 11.5668 11.5668 12.1695 12.1695 13.1107 13.1107 13.5294 13.5294 14.5205 14.5205 15.6507 15.6507 15.7309 15.7309 k = 0.2500-0.1734-0.1185 ( 3190 PWs) bands (ev): -21.8389 -21.8389 -21.6519 -21.6519 -9.8857 -9.8857 -9.8444 -9.8444 -9.4995 -9.4995 -9.4423 -9.4423 -3.3618 -3.3618 -2.4048 -2.4048 -1.7850 -1.7850 -0.4253 -0.4253 0.8726 0.8726 0.9497 0.9497 0.9843 0.9843 1.0430 1.0430 3.4999 3.4999 3.5153 3.5153 4.3355 4.3355 4.3970 4.3970 8.9315 8.9315 9.0270 9.0270 10.1959 10.1959 10.7123 10.7123 11.5473 11.5473 12.1256 12.1256 13.0910 13.0910 13.5413 13.5413 14.5852 14.5852 15.6332 15.6332 15.7752 15.7752 k = 0.2625-0.1821-0.1245 ( 3188 PWs) bands (ev): -21.8349 -21.8349 -21.6553 -21.6553 -9.8829 -9.8829 -9.8382 -9.8382 -9.5132 -9.5132 -9.4522 -9.4522 -3.3459 -3.3459 -2.4151 -2.4151 -1.7577 -1.7577 -0.4328 -0.4328 0.8814 0.8814 0.9655 0.9655 1.0053 1.0053 1.0615 1.0615 3.4984 3.4984 3.5161 3.5161 4.3044 4.3044 4.3700 4.3700 8.8580 8.8580 8.9468 8.9468 10.2454 10.2454 10.7350 10.7350 11.5285 11.5285 12.0820 12.0820 13.0636 13.0636 13.5441 13.5441 14.6579 14.6579 15.6236 15.6236 15.8201 15.8201 k = 0.2750-0.1907-0.1304 ( 3192 PWs) bands (ev): -21.8307 -21.8307 -21.6590 -21.6590 -9.8798 -9.8798 -9.8317 -9.8317 -9.5272 -9.5272 -9.4623 -9.4623 -3.3293 -3.3293 -2.4294 -2.4294 -1.7258 -1.7258 -0.4417 -0.4417 0.8906 0.8906 0.9808 0.9808 1.0266 1.0266 1.0800 1.0800 3.4973 3.4973 3.5174 3.5174 4.2729 4.2729 4.3422 4.3422 8.7867 8.7867 8.8678 8.8678 10.2984 10.2984 10.7585 10.7585 11.5105 11.5105 12.0388 12.0388 13.0305 13.0305 13.5376 13.5376 14.7368 14.7368 15.6220 15.6220 15.8651 15.8651 k = 0.2875-0.1994-0.1363 ( 3196 PWs) bands (ev): -21.8265 -21.8265 -21.6628 -21.6628 -9.8765 -9.8765 -9.8250 -9.8250 -9.5412 -9.5412 -9.4727 -9.4727 -3.3119 -3.3119 -2.4470 -2.4470 -1.6898 -1.6898 -0.4520 -0.4520 0.9001 0.9001 0.9953 0.9953 1.0480 1.0480 1.0984 1.0984 3.4965 3.4965 3.5193 3.5193 4.2411 4.2411 4.3139 4.3139 8.7179 8.7179 8.7909 8.7909 10.3539 10.3539 10.7825 10.7825 11.4933 11.4933 11.9962 11.9962 12.9935 12.9935 13.5221 13.5221 14.8205 14.8205 15.6279 15.6279 15.9098 15.9098 k = 0.3000-0.2081-0.1422 ( 3202 PWs) bands (ev): -21.8221 -21.8221 -21.6667 -21.6667 -9.8728 -9.8728 -9.8180 -9.8180 -9.5553 -9.5553 -9.4833 -9.4833 -3.2938 -3.2938 -2.4674 -2.4674 -1.6504 -1.6504 -0.4638 -0.4638 0.9099 0.9099 1.0091 1.0091 1.0694 1.0694 1.1164 1.1164 3.4963 3.4963 3.5218 3.5218 4.2091 4.2091 4.2851 4.2851 8.6519 8.6519 8.7167 8.7167 10.4113 10.4113 10.8070 10.8070 11.4773 11.4773 11.9545 11.9545 12.9540 12.9540 13.4983 13.4983 14.9078 14.9078 15.6406 15.6406 15.9535 15.9535 k = 0.3125-0.2168-0.1482 ( 3196 PWs) bands (ev): -21.8176 -21.8176 -21.6707 -21.6707 -9.8689 -9.8689 -9.8107 -9.8107 -9.5693 -9.5693 -9.4942 -9.4942 -3.2750 -3.2750 -2.4901 -2.4901 -1.6082 -1.6082 -0.4772 -0.4772 0.9200 0.9200 1.0219 1.0219 1.0906 1.0906 1.1341 1.1341 3.4965 3.4965 3.5249 3.5249 4.1772 4.1772 4.2560 4.2560 8.5887 8.5887 8.6457 8.6457 10.4697 10.4697 10.8320 10.8320 11.4626 11.4626 11.9139 11.9139 12.9132 12.9132 13.4670 13.4670 14.9979 14.9979 15.6594 15.6594 15.9959 15.9959 k = 0.3250-0.2254-0.1541 ( 3196 PWs) bands (ev): -21.8130 -21.8130 -21.6748 -21.6748 -9.8646 -9.8646 -9.8032 -9.8032 -9.5833 -9.5833 -9.5051 -9.5051 -3.2555 -3.2555 -2.5146 -2.5146 -1.5638 -1.5638 -0.4922 -0.4922 0.9304 0.9304 1.0338 1.0338 1.1114 1.1114 1.1513 1.1513 3.4974 3.4974 3.5287 3.5287 4.1455 4.1455 4.2267 4.2267 8.5287 8.5287 8.5782 8.5782 10.5285 10.5285 10.8571 10.8571 11.4493 11.4493 11.8744 11.8744 12.8722 12.8722 13.4290 13.4290 15.0897 15.0897 15.6832 15.6832 16.0363 16.0363 k = 0.3375-0.2341-0.1600 ( 3198 PWs) bands (ev): -21.8083 -21.8083 -21.6791 -21.6791 -9.8600 -9.8600 -9.7954 -9.7954 -9.5971 -9.5971 -9.5162 -9.5162 -3.2353 -3.2353 -2.5406 -2.5406 -1.5177 -1.5177 -0.5091 -0.5091 0.9411 0.9411 1.0446 1.0446 1.1316 1.1316 1.1679 1.1679 3.4989 3.4989 3.5331 3.5331 4.1142 4.1142 4.1972 4.1972 8.4720 8.4720 8.5145 8.5145 10.5872 10.5872 10.8822 10.8822 11.4376 11.4376 11.8363 11.8363 12.8320 12.8320 13.3853 13.3853 15.1826 15.1826 15.7111 15.7111 16.0743 16.0743 k = 0.3500-0.2428-0.1660 ( 3203 PWs) bands (ev): -21.8036 -21.8036 -21.6835 -21.6835 -9.8550 -9.8550 -9.7875 -9.7875 -9.6108 -9.6108 -9.5275 -9.5275 -3.2144 -3.2144 -2.5677 -2.5677 -1.4702 -1.4702 -0.5277 -0.5277 0.9519 0.9519 1.0542 1.0542 1.1511 1.1511 1.1838 1.1838 3.5012 3.5012 3.5382 3.5382 4.0835 4.0835 4.1678 4.1678 8.4188 8.4188 8.4549 8.4549 10.6451 10.6451 10.9071 10.9071 11.4277 11.4277 11.7998 11.7998 12.7933 12.7933 13.3369 13.3369 15.2762 15.2762 15.7422 15.7422 16.1096 16.1096 k = 0.3625-0.2514-0.1719 ( 3201 PWs) bands (ev): -21.7987 -21.7987 -21.6879 -21.6879 -9.8497 -9.8497 -9.7793 -9.7793 -9.6242 -9.6242 -9.5388 -9.5388 -3.1928 -3.1928 -2.5956 -2.5956 -1.4217 -1.4217 -0.5482 -0.5482 0.9629 0.9629 1.0626 1.0626 1.1698 1.1698 1.1989 1.1989 3.5043 3.5043 3.5438 3.5438 4.0538 4.0538 4.1386 4.1386 8.3691 8.3691 8.3995 8.3995 10.7016 10.7016 10.9316 10.9316 11.4197 11.4197 11.7648 11.7648 12.7570 12.7570 13.2847 13.2847 15.3697 15.3697 15.7756 15.7756 16.1416 16.1416 k = 0.3750-0.2601-0.1778 ( 3201 PWs) bands (ev): -21.7938 -21.7938 -21.6925 -21.6925 -9.8440 -9.8440 -9.7711 -9.7711 -9.6372 -9.6372 -9.5502 -9.5502 -3.1706 -3.1706 -2.6242 -2.6242 -1.3726 -1.3726 -0.5707 -0.5707 0.9739 0.9739 1.0697 1.0697 1.1874 1.1874 1.2131 1.2131 3.5081 3.5081 3.5500 3.5500 4.0251 4.0251 4.1098 4.1098 8.3233 8.3233 8.3485 8.3485 10.7561 10.7561 10.9554 10.9554 11.4139 11.4139 11.7316 11.7316 12.7239 12.7239 13.2297 13.2297 15.4627 15.4627 15.8103 15.8103 16.1703 16.1703 k = 0.3875-0.2688-0.1837 ( 3197 PWs) bands (ev): -21.7888 -21.7888 -21.6972 -21.6972 -9.8379 -9.8379 -9.7628 -9.7628 -9.6498 -9.6498 -9.5616 -9.5616 -3.1477 -3.1477 -2.6533 -2.6533 -1.3232 -1.3232 -0.5950 -0.5950 0.9850 0.9850 1.0755 1.0755 1.2039 1.2039 1.2262 1.2262 3.5129 3.5129 3.5565 3.5565 3.9980 3.9980 4.0815 4.0815 8.2814 8.2814 8.3020 8.3020 10.8079 10.8079 10.9780 10.9780 11.4104 11.4104 11.7002 11.7002 12.6947 12.6947 13.1727 13.1727 15.5545 15.5545 15.8456 15.8456 16.1954 16.1954 k = 0.4000-0.2774-0.1897 ( 3191 PWs) bands (ev): -21.7837 -21.7837 -21.7019 -21.7019 -9.8314 -9.8314 -9.7547 -9.7547 -9.6618 -9.6618 -9.5730 -9.5730 -3.1242 -3.1242 -2.6826 -2.6826 -1.2737 -1.2737 -0.6214 -0.6214 0.9959 0.9959 1.0800 1.0800 1.2191 1.2191 1.2383 1.2383 3.5185 3.5185 3.5632 3.5632 3.9727 3.9727 4.0539 4.0539 8.2435 8.2435 8.2602 8.2602 10.8565 10.8565 10.9992 10.9992 11.4093 11.4093 11.6706 11.6706 12.6702 12.6702 13.1147 13.1147 15.6443 15.6443 15.8808 15.8808 16.2173 16.2173 k = 0.4125-0.2861-0.1956 ( 3189 PWs) bands (ev): -21.7786 -21.7786 -21.7068 -21.7068 -9.8246 -9.8246 -9.7470 -9.7470 -9.6728 -9.6728 -9.5844 -9.5844 -3.1000 -3.1000 -2.7121 -2.7121 -1.2244 -1.2244 -0.6497 -0.6497 1.0066 1.0066 1.0830 1.0830 1.2329 1.2329 1.2491 1.2491 3.5249 3.5249 3.5697 3.5697 3.9497 3.9497 4.0272 4.0272 8.2098 8.2098 8.2231 8.2231 10.9010 10.9010 11.0186 11.0186 11.4108 11.4108 11.6427 11.6427 12.6512 12.6512 13.0564 13.0564 15.7313 15.7313 15.9152 15.9152 16.2362 16.2362 k = 0.4250-0.2948-0.2015 ( 3195 PWs) bands (ev): -21.7734 -21.7734 -21.7117 -21.7117 -9.8173 -9.8173 -9.7405 -9.7405 -9.6821 -9.6821 -9.5958 -9.5958 -3.0753 -3.0753 -2.7416 -2.7416 -1.1755 -1.1755 -0.6800 -0.6800 1.0171 1.0171 1.0848 1.0848 1.2452 1.2452 1.2586 1.2586 3.5320 3.5320 3.5757 3.5757 3.9294 3.9294 4.0018 4.0018 8.1804 8.1804 8.1908 8.1908 10.9410 10.9410 11.0357 11.0357 11.4150 11.4150 11.6166 11.6166 12.6383 12.6383 12.9986 12.9986 15.8141 15.8141 15.9481 15.9481 16.2532 16.2532 k = 0.4375-0.3035-0.2074 ( 3194 PWs) bands (ev): -21.7683 -21.7683 -21.7166 -21.7166 -9.8097 -9.8097 -9.7364 -9.7364 -9.6884 -9.6884 -9.6071 -9.6071 -3.0500 -3.0500 -2.7711 -2.7711 -1.1272 -1.1272 -0.7122 -0.7122 1.0272 1.0272 1.0851 1.0851 1.2559 1.2559 1.2667 1.2667 3.5398 3.5398 3.5807 3.5807 3.9125 3.9125 3.9778 3.9778 8.1554 8.1554 8.1633 8.1633 10.9760 10.9760 11.0501 11.0501 11.4218 11.4218 11.5921 11.5921 12.6321 12.6321 12.9423 12.9423 15.8907 15.8907 15.9790 15.9790 16.2700 16.2700 k = 0.4500-0.3121-0.2134 ( 3189 PWs) bands (ev): -21.7631 -21.7631 -21.7217 -21.7217 -9.8017 -9.8017 -9.7367 -9.7367 -9.6898 -9.6898 -9.6183 -9.6183 -3.0241 -3.0241 -2.8005 -2.8005 -1.0796 -1.0796 -0.7463 -0.7463 1.0367 1.0367 1.0842 1.0842 1.2649 1.2649 1.2733 1.2733 3.5480 3.5480 3.5844 3.5844 3.8995 3.8995 3.9557 3.9557 8.1349 8.1349 8.1408 8.1408 11.0057 11.0057 11.0616 11.0616 11.4312 11.4312 11.5691 11.5691 12.6331 12.6331 12.8882 12.8882 15.9580 15.9580 16.0072 16.0072 16.2894 16.2894 k = 0.4625-0.3208-0.2193 ( 3185 PWs) bands (ev): -21.7578 -21.7578 -21.7267 -21.7267 -9.7934 -9.7934 -9.7415 -9.7415 -9.6862 -9.6862 -9.6293 -9.6293 -2.9976 -2.9976 -2.8297 -2.8297 -1.0331 -1.0331 -0.7823 -0.7823 1.0457 1.0457 1.0819 1.0819 1.2722 1.2722 1.2783 1.2783 3.5563 3.5563 3.5862 3.5862 3.8909 3.8909 3.9358 3.9358 8.1189 8.1189 8.1231 8.1231 11.0300 11.0300 11.0697 11.0697 11.4429 11.4429 11.5474 11.5474 12.6416 12.6416 12.8372 12.8372 16.0120 16.0120 16.0319 16.0319 16.3153 16.3153 k = 0.4750-0.3295-0.2252 ( 3184 PWs) bands (ev): -21.7526 -21.7526 -21.7319 -21.7319 -9.7848 -9.7848 -9.7490 -9.7490 -9.6792 -9.6792 -9.6401 -9.6401 -2.9707 -2.9707 -2.8586 -2.8586 -0.9877 -0.9877 -0.8201 -0.8201 1.0541 1.0541 1.0785 1.0785 1.2777 1.2777 1.2817 1.2817 3.5645 3.5645 3.5858 3.5858 3.8872 3.8872 3.9185 3.9185 8.1076 8.1076 8.1103 8.1103 11.0487 11.0487 11.0741 11.0741 11.4567 11.4567 11.5269 11.5269 12.6576 12.6576 12.7901 12.7901 16.0486 16.0486 16.0524 16.0524 16.3512 16.3512 k = 0.4875-0.3381-0.2312 ( 3189 PWs) bands (ev): -21.7474 -21.7474 -21.7370 -21.7370 -9.7758 -9.7758 -9.7577 -9.7577 -9.6705 -9.6705 -9.6507 -9.6507 -2.9433 -2.9433 -2.8872 -2.8872 -0.9436 -0.9436 -0.8597 -0.8597 1.0616 1.0616 1.0739 1.0739 1.2813 1.2813 1.2833 1.2833 3.5720 3.5720 3.5831 3.5831 3.8883 3.8883 3.9045 3.9045 8.1011 8.1011 8.1023 8.1023 11.0622 11.0622 11.0746 11.0746 11.4722 11.4722 11.5075 11.5075 12.6810 12.6810 12.7479 12.7479 16.0660 16.0660 16.0685 16.0685 16.3974 16.3974 k = 0.5000-0.3468-0.2371 ( 3188 PWs) bands (ev): -21.7422 -21.7422 -21.7422 -21.7422 -9.7668 -9.7668 -9.7667 -9.7667 -9.6609 -9.6609 -9.6609 -9.6609 -2.9155 -2.9155 -2.9155 -2.9155 -0.9009 -0.9009 -0.9009 -0.9009 1.0682 1.0682 1.0682 1.0682 1.2832 1.2832 1.2832 1.2832 3.5784 3.5784 3.5785 3.5785 3.8942 3.8942 3.8943 3.8943 8.0993 8.0993 8.0993 8.0993 11.0707 11.0707 11.0708 11.0708 11.4892 11.4892 11.4892 11.4892 12.7112 12.7112 12.7113 12.7113 16.0727 16.0727 16.0727 16.0727 16.4507 16.4507 k = 0.5000-0.3468-0.2371 ( 3188 PWs) bands (ev): -21.7422 -21.7422 -21.7422 -21.7422 -9.7668 -9.7668 -9.7667 -9.7667 -9.6609 -9.6609 -9.6609 -9.6609 -2.9155 -2.9155 -2.9155 -2.9155 -0.9009 -0.9009 -0.9009 -0.9009 1.0682 1.0682 1.0682 1.0682 1.2832 1.2832 1.2832 1.2832 3.5784 3.5784 3.5785 3.5785 3.8942 3.8942 3.8943 3.8943 8.0993 8.0993 8.0993 8.0993 11.0707 11.0707 11.0708 11.0708 11.4892 11.4892 11.4892 11.4892 12.7112 12.7112 12.7113 12.7113 16.0727 16.0727 16.0727 16.0727 16.4507 16.4507 k = 0.5000-0.3376-0.2505 ( 3188 PWs) bands (ev): -21.7422 -21.7422 -21.7422 -21.7422 -9.7681 -9.7681 -9.7680 -9.7680 -9.6598 -9.6598 -9.6597 -9.6597 -2.9149 -2.9149 -2.9148 -2.9148 -0.9014 -0.9014 -0.9014 -0.9014 1.0672 1.0672 1.0674 1.0674 1.2840 1.2840 1.2843 1.2843 3.5757 3.5757 3.5764 3.5764 3.8965 3.8965 3.8972 3.8972 8.1008 8.1008 8.1008 8.1008 11.0682 11.0682 11.0688 11.0688 11.4765 11.4765 11.4778 11.4778 12.7270 12.7270 12.7278 12.7278 16.0688 16.0688 16.0692 16.0692 16.4484 16.4486 k = 0.5000-0.3285-0.2639 ( 3188 PWs) bands (ev): -21.7422 -21.7422 -21.7422 -21.7422 -9.7718 -9.7718 -9.7717 -9.7717 -9.6564 -9.6564 -9.6563 -9.6563 -2.9129 -2.9129 -2.9129 -2.9129 -0.9029 -0.9029 -0.9028 -0.9028 1.0643 1.0643 1.0648 1.0648 1.2867 1.2867 1.2872 1.2872 3.5685 3.5685 3.5698 3.5698 3.9038 3.9038 3.9050 3.9050 8.1053 8.1053 8.1053 8.1053 11.0606 11.0606 11.0619 11.0619 11.4425 11.4425 11.4450 11.4450 12.7731 12.7731 12.7744 12.7744 16.0576 16.0576 16.0583 16.0583 16.4422 16.4422 k = 0.5000-0.3193-0.2773 ( 3184 PWs) bands (ev): -21.7422 -21.7422 -21.7421 -21.7421 -9.7775 -9.7775 -9.7774 -9.7774 -9.6512 -9.6512 -9.6511 -9.6511 -2.9097 -2.9097 -2.9097 -2.9097 -0.9054 -0.9054 -0.9053 -0.9053 1.0598 1.0598 1.0605 1.0605 1.2910 1.2910 1.2917 1.2917 3.5575 3.5575 3.5593 3.5593 3.9154 3.9154 3.9171 3.9171 8.1127 8.1127 8.1127 8.1127 11.0463 11.0463 11.0482 11.0482 11.3940 11.3940 11.3977 11.3977 12.8444 12.8444 12.8461 12.8461 16.0390 16.0390 16.0401 16.0401 16.4322 16.4324 k = 0.5000-0.3101-0.2908 ( 3188 PWs) bands (ev): -21.7421 -21.7421 -21.7421 -21.7421 -9.7847 -9.7847 -9.7845 -9.7845 -9.6447 -9.6447 -9.6445 -9.6445 -2.9053 -2.9053 -2.9053 -2.9053 -0.9089 -0.9089 -0.9088 -0.9088 1.0538 1.0538 1.0546 1.0546 1.2969 1.2969 1.2978 1.2978 3.5435 3.5435 3.5458 3.5458 3.9305 3.9305 3.9327 3.9327 8.1230 8.1230 8.1231 8.1231 11.0218 11.0218 11.0243 11.0243 11.3404 11.3404 11.3449 11.3449 12.9349 12.9349 12.9370 12.9370 16.0131 16.0131 16.0143 16.0143 16.4182 16.4182 k = 0.5000-0.3009-0.3042 ( 3190 PWs) bands (ev): -21.7421 -21.7421 -21.7420 -21.7420 -9.7929 -9.7929 -9.7928 -9.7928 -9.6373 -9.6373 -9.6371 -9.6371 -2.8997 -2.8997 -2.8997 -2.8997 -0.9134 -0.9134 -0.9132 -0.9132 1.0465 1.0465 1.0475 1.0475 1.3041 1.3041 1.3052 1.3052 3.5273 3.5273 3.5299 3.5299 3.9484 3.9484 3.9508 3.9508 8.1361 8.1361 8.1361 8.1361 10.9830 10.9830 10.9857 10.9857 11.2911 11.2911 11.2962 11.2962 13.0396 13.0396 13.0420 13.0420 15.9798 15.9798 15.9812 15.9812 16.3997 16.3998 k = 0.5000-0.2918-0.3176 ( 3188 PWs) bands (ev): -21.7420 -21.7420 -21.7420 -21.7420 -9.8020 -9.8020 -9.8018 -9.8018 -9.6293 -9.6293 -9.6291 -9.6291 -2.8930 -2.8930 -2.8929 -2.8929 -0.9188 -0.9188 -0.9186 -0.9186 1.0380 1.0380 1.0392 1.0392 1.3125 1.3125 1.3137 1.3137 3.5097 3.5097 3.5125 3.5125 3.9682 3.9682 3.9709 3.9709 8.1518 8.1518 8.1519 8.1519 10.9273 10.9273 10.9298 10.9298 11.2530 11.2530 11.2581 11.2581 13.1546 13.1546 13.1571 13.1571 15.9393 15.9393 15.9408 15.9408 16.3769 16.3769 k = 0.5000-0.2826-0.3310 ( 3190 PWs) bands (ev): -21.7419 -21.7419 -21.7419 -21.7419 -9.8115 -9.8115 -9.8113 -9.8113 -9.6209 -9.6209 -9.6207 -9.6207 -2.8852 -2.8852 -2.8851 -2.8851 -0.9250 -0.9250 -0.9248 -0.9248 1.0287 1.0287 1.0299 1.0299 1.3219 1.3219 1.3231 1.3231 3.4912 3.4912 3.4942 3.4942 3.9895 3.9895 3.9923 3.9923 8.1699 8.1699 8.1701 8.1701 10.8563 10.8563 10.8583 10.8583 11.2271 11.2271 11.2317 11.2317 13.2770 13.2770 13.2795 13.2795 15.8919 15.8919 15.8934 15.8934 16.3497 16.3504 k = 0.5000-0.2734-0.3444 ( 3182 PWs) bands (ev): -21.7418 -21.7418 -21.7418 -21.7418 -9.8213 -9.8213 -9.8211 -9.8211 -9.6123 -9.6123 -9.6121 -9.6121 -2.8764 -2.8764 -2.8763 -2.8763 -0.9321 -0.9321 -0.9319 -0.9319 1.0186 1.0186 1.0199 1.0199 1.3320 1.3320 1.3334 1.3334 3.4722 3.4722 3.4753 3.4753 4.0117 4.0117 4.0146 4.0146 8.1904 8.1904 8.1905 8.1905 10.7747 10.7747 10.7761 10.7761 11.2106 11.2106 11.2147 11.2147 13.4046 13.4046 13.4072 13.4072 15.8379 15.8379 15.8393 15.8393 16.3184 16.3185 k = 0.5000-0.2643-0.3578 ( 3184 PWs) bands (ev): -21.7417 -21.7417 -21.7417 -21.7417 -9.8313 -9.8313 -9.8312 -9.8312 -9.6037 -9.6037 -9.6035 -9.6035 -2.8667 -2.8667 -2.8666 -2.8666 -0.9399 -0.9399 -0.9397 -0.9397 1.0080 1.0080 1.0093 1.0093 1.3428 1.3428 1.3442 1.3442 3.4530 3.4530 3.4562 3.4562 4.0345 4.0345 4.0375 4.0375 8.2128 8.2128 8.2129 8.2129 10.6875 10.6875 10.6883 10.6883 11.2001 11.2001 11.2036 11.2036 13.5358 13.5358 13.5385 13.5385 15.7778 15.7778 15.7791 15.7791 16.2837 16.2837 k = 0.5000-0.2551-0.3713 ( 3192 PWs) bands (ev): -21.7416 -21.7416 -21.7416 -21.7416 -9.8414 -9.8414 -9.8412 -9.8412 -9.5951 -9.5951 -9.5949 -9.5949 -2.8563 -2.8563 -2.8562 -2.8562 -0.9485 -0.9485 -0.9482 -0.9482 0.9968 0.9968 0.9981 0.9981 1.3541 1.3541 1.3555 1.3555 3.4341 3.4341 3.4373 3.4373 4.0576 4.0576 4.0606 4.0606 8.2369 8.2369 8.2371 8.2371 10.5980 10.5980 10.5984 10.5984 11.1932 11.1932 11.1963 11.1963 13.6696 13.6696 13.6722 13.6722 15.7123 15.7123 15.7135 15.7135 16.2460 16.2464 k = 0.5000-0.2459-0.3847 ( 3202 PWs) bands (ev): -21.7415 -21.7415 -21.7415 -21.7415 -9.8515 -9.8515 -9.8513 -9.8513 -9.5865 -9.5865 -9.5863 -9.5863 -2.8452 -2.8452 -2.8451 -2.8451 -0.9577 -0.9577 -0.9574 -0.9574 0.9852 0.9852 0.9866 0.9866 1.3658 1.3658 1.3672 1.3672 3.4154 3.4154 3.4187 3.4187 4.0807 4.0807 4.0838 4.0838 8.2624 8.2624 8.2626 8.2626 10.5088 10.5088 10.5088 10.5088 11.1886 11.1886 11.1914 11.1914 13.8047 13.8047 13.8075 13.8075 15.6422 15.6422 15.6432 15.6432 16.2058 16.2062 k = 0.5000-0.2367-0.3981 ( 3208 PWs) bands (ev): -21.7414 -21.7414 -21.7414 -21.7414 -9.8615 -9.8615 -9.8613 -9.8613 -9.5781 -9.5781 -9.5779 -9.5779 -2.8335 -2.8335 -2.8334 -2.8334 -0.9674 -0.9674 -0.9671 -0.9671 0.9733 0.9733 0.9747 0.9747 1.3778 1.3778 1.3792 1.3792 3.3973 3.3973 3.4006 3.4006 4.1038 4.1038 4.1068 4.1068 8.2889 8.2889 8.2891 8.2891 10.4215 10.4215 10.4217 10.4217 11.1853 11.1853 11.1878 11.1878 13.9405 13.9405 13.9433 13.9433 15.5682 15.5682 15.5691 15.5691 16.1637 16.1637 k = 0.5000-0.2276-0.4115 ( 3206 PWs) bands (ev): -21.7413 -21.7413 -21.7413 -21.7413 -9.8713 -9.8713 -9.8711 -9.8711 -9.5698 -9.5698 -9.5696 -9.5696 -2.8215 -2.8215 -2.8214 -2.8214 -0.9775 -0.9775 -0.9772 -0.9772 0.9612 0.9612 0.9626 0.9626 1.3899 1.3899 1.3914 1.3914 3.3799 3.3799 3.3832 3.3832 4.1266 4.1266 4.1296 4.1296 8.3158 8.3158 8.3160 8.3160 10.3378 10.3378 10.3383 10.3383 11.1828 11.1828 11.1851 11.1851 14.0761 14.0761 14.0789 14.0789 15.4913 15.4913 15.4920 15.4920 16.1202 16.1202 k = 0.5000-0.2184-0.4249 ( 3206 PWs) bands (ev): -21.7412 -21.7412 -21.7412 -21.7412 -9.8809 -9.8809 -9.8807 -9.8807 -9.5618 -9.5618 -9.5616 -9.5616 -2.8092 -2.8092 -2.8091 -2.8091 -0.9880 -0.9880 -0.9876 -0.9876 0.9490 0.9490 0.9504 0.9504 1.4022 1.4022 1.4036 1.4036 3.3633 3.3633 3.3666 3.3666 4.1490 4.1490 4.1520 4.1520 8.3428 8.3428 8.3430 8.3430 10.2589 10.2589 10.2596 10.2596 11.1807 11.1807 11.1828 11.1828 14.2106 14.2106 14.2134 14.2134 15.4122 15.4122 15.4129 15.4129 16.0759 16.0762 k = 0.5000-0.2092-0.4384 ( 3210 PWs) bands (ev): -21.7411 -21.7411 -21.7411 -21.7411 -9.8902 -9.8902 -9.8901 -9.8901 -9.5539 -9.5539 -9.5537 -9.5537 -2.7969 -2.7969 -2.7967 -2.7967 -0.9986 -0.9986 -0.9983 -0.9983 0.9367 0.9367 0.9381 0.9381 1.4144 1.4144 1.4159 1.4159 3.3476 3.3476 3.3508 3.3508 4.1708 4.1708 4.1738 4.1738 8.3691 8.3691 8.3693 8.3693 10.1858 10.1858 10.1867 10.1867 11.1787 11.1787 11.1807 11.1807 14.3432 14.3432 14.3460 14.3460 15.3318 15.3318 15.3324 15.3324 16.0308 16.0310 k = 0.5000-0.2000-0.4518 ( 3210 PWs) bands (ev): -21.7410 -21.7410 -21.7410 -21.7410 -9.8993 -9.8993 -9.8991 -9.8991 -9.5463 -9.5463 -9.5461 -9.5461 -2.7846 -2.7846 -2.7845 -2.7845 -1.0094 -1.0094 -1.0090 -1.0090 0.9245 0.9245 0.9258 0.9258 1.4265 1.4265 1.4280 1.4280 3.3328 3.3328 3.3360 3.3360 4.1921 4.1921 4.1951 4.1951 8.3941 8.3941 8.3944 8.3944 10.1197 10.1197 10.1207 10.1207 11.1767 11.1767 11.1784 11.1784 14.4725 14.4725 14.4753 14.4753 15.2511 15.2511 15.2517 15.2517 15.9859 15.9864 k = 0.5000-0.1909-0.4652 ( 3204 PWs) bands (ev): -21.7408 -21.7408 -21.7408 -21.7408 -9.9079 -9.9079 -9.9078 -9.9078 -9.5390 -9.5390 -9.5388 -9.5388 -2.7727 -2.7727 -2.7725 -2.7725 -1.0200 -1.0200 -1.0197 -1.0197 0.9122 0.9122 0.9136 0.9136 1.4385 1.4385 1.4399 1.4399 3.3191 3.3191 3.3222 3.3222 4.2126 4.2126 4.2156 4.2156 8.4173 8.4173 8.4176 8.4176 10.0613 10.0613 10.0625 10.0625 11.1744 11.1744 11.1760 11.1760 14.5970 14.5970 14.5998 14.5998 15.1714 15.1714 15.1721 15.1721 15.9418 15.9422 k = 0.5000-0.1817-0.4786 ( 3206 PWs) bands (ev): -21.7407 -21.7407 -21.7407 -21.7407 -9.9162 -9.9162 -9.9160 -9.9160 -9.5319 -9.5319 -9.5317 -9.5317 -2.7612 -2.7612 -2.7610 -2.7610 -1.0305 -1.0305 -1.0301 -1.0301 0.9001 0.9001 0.9015 0.9015 1.4501 1.4501 1.4515 1.4515 3.3064 3.3064 3.3095 3.3095 4.2324 4.2324 4.2352 4.2352 8.4379 8.4379 8.4381 8.4381 10.0117 10.0117 10.0130 10.0130 11.1716 11.1716 11.1731 11.1731 14.7130 14.7130 14.7156 14.7156 15.0954 15.0954 15.0962 15.0962 15.8993 15.8998 k = 0.5000-0.1725-0.4920 ( 3206 PWs) bands (ev): -21.7406 -21.7406 -21.7406 -21.7406 -9.9240 -9.9240 -9.9239 -9.9239 -9.5251 -9.5251 -9.5249 -9.5249 -2.7503 -2.7503 -2.7501 -2.7501 -1.0405 -1.0405 -1.0402 -1.0402 0.8882 0.8882 0.8895 0.8895 1.4613 1.4613 1.4626 1.4626 3.2949 3.2949 3.2979 3.2979 4.2512 4.2512 4.2541 4.2541 8.4553 8.4553 8.4556 8.4556 9.9716 9.9716 9.9729 9.9729 11.1682 11.1682 11.1696 11.1696 14.8098 14.8098 14.8117 14.8117 15.0325 15.0325 15.0341 15.0341 15.8597 15.8599 k = 0.5000-0.1633-0.5055 ( 3208 PWs) bands (ev): -21.7406 -21.7406 -21.7405 -21.7405 -9.9314 -9.9314 -9.9312 -9.9312 -9.5186 -9.5186 -9.5184 -9.5184 -2.7403 -2.7403 -2.7401 -2.7401 -1.0500 -1.0500 -1.0497 -1.0497 0.8765 0.8765 0.8778 0.8778 1.4719 1.4719 1.4733 1.4733 3.2845 3.2845 3.2875 3.2875 4.2691 4.2691 4.2719 4.2719 8.4691 8.4691 8.4694 8.4694 9.9416 9.9416 9.9430 9.9430 11.1642 11.1642 11.1654 11.1654 14.8452 14.8452 14.8454 14.8454 15.0229 15.0229 15.0264 15.0264 15.8253 15.8255 k = 0.5000-0.1542-0.5189 ( 3206 PWs) bands (ev): -21.7405 -21.7405 -21.7405 -21.7405 -9.9382 -9.9382 -9.9381 -9.9381 -9.5124 -9.5124 -9.5122 -9.5122 -2.7314 -2.7314 -2.7312 -2.7312 -1.0588 -1.0588 -1.0586 -1.0586 0.8651 0.8651 0.8664 0.8664 1.4820 1.4820 1.4833 1.4833 3.2752 3.2752 3.2782 3.2782 4.2860 4.2860 4.2888 4.2888 8.4790 8.4790 8.4793 8.4793 9.9220 9.9220 9.9235 9.9235 11.1594 11.1594 11.1605 11.1605 14.8004 14.8004 14.8009 14.8009 15.0819 15.0819 15.0862 15.0862 15.7990 15.7995 k = 0.5000-0.1450-0.5323 ( 3200 PWs) bands (ev): -21.7404 -21.7404 -21.7404 -21.7404 -9.9445 -9.9445 -9.9443 -9.9443 -9.5065 -9.5065 -9.5063 -9.5063 -2.7238 -2.7238 -2.7235 -2.7235 -1.0668 -1.0668 -1.0665 -1.0665 0.8541 0.8541 0.8553 0.8553 1.4914 1.4914 1.4926 1.4926 3.2672 3.2672 3.2700 3.2700 4.3019 4.3019 4.3045 4.3045 8.4851 8.4851 8.4853 8.4853 9.9130 9.9130 9.9145 9.9145 11.1537 11.1537 11.1547 11.1547 14.7321 14.7321 14.7326 14.7326 15.1492 15.1492 15.1536 15.1536 15.7854 15.7854 k = 0.5000-0.1358-0.5457 ( 3202 PWs) bands (ev): -21.7403 -21.7403 -21.7403 -21.7403 -9.9502 -9.9502 -9.9501 -9.9501 -9.5009 -9.5009 -9.5008 -9.5008 -2.7176 -2.7176 -2.7173 -2.7173 -1.0737 -1.0737 -1.0734 -1.0734 0.8434 0.8434 0.8446 0.8446 1.4999 1.4999 1.5011 1.5011 3.2603 3.2603 3.2631 3.2631 4.3166 4.3166 4.3192 4.3192 8.4875 8.4875 8.4878 8.4878 9.9143 9.9143 9.9159 9.9159 11.1470 11.1470 11.1479 11.1479 14.6596 14.6596 14.6601 14.6601 15.2001 15.2001 15.2046 15.2046 15.7891 15.7891 k = 0.5000-0.1267-0.5591 ( 3208 PWs) bands (ev): -21.7403 -21.7403 -21.7403 -21.7403 -9.9553 -9.9553 -9.9552 -9.9552 -9.4957 -9.4957 -9.4955 -9.4955 -2.7130 -2.7130 -2.7127 -2.7127 -1.0794 -1.0794 -1.0791 -1.0791 0.8332 0.8332 0.8343 0.8343 1.5076 1.5076 1.5087 1.5087 3.2545 3.2545 3.2572 3.2572 4.3301 4.3301 4.3327 4.3327 8.4870 8.4870 8.4872 8.4872 9.9254 9.9254 9.9270 9.9270 11.1392 11.1392 11.1400 11.1400 14.5871 14.5871 14.5876 14.5876 15.2274 15.2274 15.2318 15.2318 15.8132 15.8132 k = 0.5000-0.1175-0.5725 ( 3212 PWs) bands (ev): -21.7403 -21.7403 -21.7403 -21.7403 -9.9598 -9.9598 -9.9597 -9.9597 -9.4908 -9.4908 -9.4907 -9.4907 -2.7102 -2.7102 -2.7099 -2.7099 -1.0837 -1.0837 -1.0835 -1.0835 0.8235 0.8235 0.8246 0.8246 1.5142 1.5142 1.5153 1.5153 3.2499 3.2499 3.2525 3.2525 4.3424 4.3424 4.3449 4.3449 8.4842 8.4842 8.4844 8.4844 9.9455 9.9455 9.9471 9.9471 11.1304 11.1304 11.1311 11.1311 14.5159 14.5159 14.5165 14.5165 15.2317 15.2317 15.2357 15.2357 15.8554 15.8554 k = 0.5000-0.1083-0.5860 ( 3206 PWs) bands (ev): -21.7403 -21.7403 -21.7403 -21.7403 -9.9637 -9.9637 -9.9635 -9.9635 -9.4862 -9.4862 -9.4861 -9.4861 -2.7093 -2.7093 -2.7090 -2.7090 -1.0866 -1.0866 -1.0864 -1.0864 0.8143 0.8143 0.8153 0.8153 1.5199 1.5199 1.5209 1.5209 3.2463 3.2463 3.2489 3.2489 4.3534 4.3534 4.3558 4.3558 8.4800 8.4800 8.4802 8.4802 9.9735 9.9735 9.9752 9.9752 11.1206 11.1206 11.1211 11.1211 14.4469 14.4469 14.4475 14.4475 15.2178 15.2178 15.2216 15.2216 15.9098 15.9101 k = 0.5000-0.0991-0.5994 ( 3204 PWs) bands (ev): -21.7403 -21.7403 -21.7403 -21.7403 -9.9668 -9.9668 -9.9667 -9.9667 -9.4820 -9.4820 -9.4819 -9.4819 -2.7105 -2.7105 -2.7101 -2.7101 -1.0879 -1.0879 -1.0877 -1.0877 0.8056 0.8056 0.8067 0.8067 1.5244 1.5244 1.5254 1.5254 3.2439 3.2439 3.2463 3.2463 4.3631 4.3631 4.3655 4.3655 8.4755 8.4755 8.4757 8.4757 10.0085 10.0085 10.0102 10.0102 11.1098 11.1098 11.1102 11.1102 14.3804 14.3804 14.3811 14.3811 15.1918 15.1918 15.1952 15.1952 15.9697 15.9700 k = 0.5000-0.0900-0.6128 ( 3202 PWs) bands (ev): -21.7403 -21.7403 -21.7403 -21.7403 -9.9693 -9.9693 -9.9692 -9.9692 -9.4782 -9.4782 -9.4780 -9.4780 -2.7138 -2.7138 -2.7134 -2.7134 -1.0875 -1.0875 -1.0874 -1.0874 0.7976 0.7976 0.7986 0.7986 1.5277 1.5277 1.5287 1.5287 3.2424 3.2424 3.2448 3.2448 4.3715 4.3715 4.3738 4.3738 8.4716 8.4716 8.4717 8.4717 10.0491 10.0491 10.0509 10.0509 11.0981 11.0981 11.0984 11.0984 14.3168 14.3168 14.3175 14.3175 15.1580 15.1580 15.1612 15.1612 16.0302 16.0302 k = 0.5000-0.0808-0.6262 ( 3208 PWs) bands (ev): -21.7403 -21.7403 -21.7403 -21.7403 -9.9711 -9.9711 -9.9709 -9.9709 -9.4747 -9.4747 -9.4745 -9.4745 -2.7193 -2.7193 -2.7189 -2.7189 -1.0855 -1.0855 -1.0854 -1.0854 0.7902 0.7902 0.7911 0.7911 1.5298 1.5298 1.5307 1.5307 3.2419 3.2419 3.2442 3.2442 4.3785 4.3785 4.3807 4.3807 8.4690 8.4690 8.4691 8.4691 10.0943 10.0943 10.0961 10.0961 11.0858 11.0858 11.0859 11.0859 14.2561 14.2561 14.2569 14.2569 15.1195 15.1195 15.1225 15.1225 16.0877 16.0882 k = 0.5000-0.0716-0.6396 ( 3200 PWs) bands (ev): -21.7404 -21.7404 -21.7404 -21.7404 -9.9721 -9.9721 -9.9720 -9.9720 -9.4715 -9.4715 -9.4714 -9.4714 -2.7270 -2.7270 -2.7267 -2.7267 -1.0817 -1.0817 -1.0816 -1.0816 0.7834 0.7834 0.7844 0.7844 1.5307 1.5307 1.5315 1.5315 3.2424 3.2424 3.2446 3.2446 4.3841 4.3841 4.3862 4.3862 8.4687 8.4687 8.4688 8.4688 10.1428 10.1428 10.1446 10.1446 11.0732 11.0732 11.0732 11.0732 14.1988 14.1988 14.1996 14.1996 15.0783 15.0783 15.0812 15.0812 16.1402 16.1403 k = 0.5000-0.0624-0.6531 ( 3196 PWs) bands (ev): -21.7405 -21.7405 -21.7405 -21.7405 -9.9724 -9.9724 -9.9723 -9.9723 -9.4688 -9.4688 -9.4686 -9.4686 -2.7370 -2.7370 -2.7366 -2.7366 -1.0762 -1.0762 -1.0762 -1.0762 0.7774 0.7774 0.7783 0.7783 1.5302 1.5302 1.5311 1.5311 3.2437 3.2437 3.2458 3.2458 4.3882 4.3882 4.3902 4.3902 8.4713 8.4713 8.4713 8.4713 10.1933 10.1933 10.1951 10.1951 11.0607 11.0607 11.0609 11.0609 14.1447 14.1447 14.1456 14.1456 15.0357 15.0357 15.0385 15.0385 16.1869 16.1874 k = 0.7663 0.0770-0.2953 ( 3196 PWs) bands (ev): -21.7405 -21.7405 -21.7405 -21.7405 -9.9724 -9.9724 -9.9723 -9.9723 -9.4688 -9.4688 -9.4686 -9.4686 -2.7370 -2.7370 -2.7366 -2.7366 -1.0762 -1.0762 -1.0762 -1.0762 0.7774 0.7774 0.7783 0.7783 1.5302 1.5302 1.5311 1.5311 3.2437 3.2437 3.2458 3.2458 4.3882 4.3882 4.3902 4.3902 8.4713 8.4713 8.4713 8.4713 10.1933 10.1933 10.1951 10.1951 11.0607 11.0607 11.0609 11.0609 14.1447 14.1447 14.1456 14.1456 15.0357 15.0357 15.0385 15.0385 16.1864 16.1866 k = 0.7587 0.0822-0.2817 ( 3190 PWs) bands (ev): -21.7406 -21.7406 -21.7406 -21.7406 -9.9720 -9.9720 -9.9719 -9.9719 -9.4663 -9.4663 -9.4662 -9.4662 -2.7493 -2.7493 -2.7489 -2.7489 -1.0689 -1.0689 -1.0689 -1.0689 0.7721 0.7721 0.7729 0.7729 1.5285 1.5285 1.5293 1.5293 3.2459 3.2459 3.2480 3.2480 4.3909 4.3909 4.3928 4.3928 8.4774 8.4774 8.4775 8.4775 10.2449 10.2449 10.2468 10.2468 11.0491 11.0491 11.0494 11.0494 14.0936 14.0936 14.0946 14.0946 14.9921 14.9921 14.9948 14.9948 16.2259 16.2264 k = 0.7511 0.0875-0.2682 ( 3196 PWs) bands (ev): -21.7407 -21.7407 -21.7407 -21.7407 -9.9709 -9.9709 -9.9707 -9.9707 -9.4643 -9.4643 -9.4642 -9.4642 -2.7637 -2.7637 -2.7633 -2.7633 -1.0600 -1.0600 -1.0600 -1.0600 0.7675 0.7675 0.7683 0.7683 1.5254 1.5254 1.5262 1.5262 3.2490 3.2490 3.2509 3.2509 4.3921 4.3921 4.3939 4.3939 8.4875 8.4875 8.4875 8.4875 10.2955 10.2955 10.2974 10.2974 11.0395 11.0395 11.0399 11.0399 14.0460 14.0460 14.0470 14.0470 14.9485 14.9485 14.9512 14.9512 16.2576 16.2577 k = 0.7435 0.0928-0.2546 ( 3198 PWs) bands (ev): -21.7408 -21.7408 -21.7408 -21.7408 -9.9689 -9.9689 -9.9688 -9.9688 -9.4627 -9.4627 -9.4626 -9.4626 -2.7801 -2.7801 -2.7798 -2.7798 -1.0495 -1.0495 -1.0495 -1.0495 0.7636 0.7636 0.7644 0.7644 1.5210 1.5210 1.5217 1.5217 3.2528 3.2528 3.2546 3.2546 4.3917 4.3917 4.3935 4.3935 8.5019 8.5019 8.5019 8.5019 10.3431 10.3431 10.3450 10.3450 11.0334 11.0334 11.0340 11.0340 14.0019 14.0019 14.0029 14.0029 14.9055 14.9055 14.9081 14.9081 16.2816 16.2817 k = 0.7359 0.0981-0.2411 ( 3190 PWs) bands (ev): -21.7410 -21.7410 -21.7410 -21.7410 -9.9662 -9.9662 -9.9661 -9.9661 -9.4615 -9.4615 -9.4614 -9.4614 -2.7985 -2.7985 -2.7982 -2.7982 -1.0376 -1.0376 -1.0375 -1.0375 0.7606 0.7606 0.7614 0.7614 1.5153 1.5153 1.5160 1.5160 3.2574 3.2574 3.2591 3.2591 4.3899 4.3899 4.3916 4.3916 8.5208 8.5208 8.5208 8.5208 10.3858 10.3858 10.3877 10.3877 11.0326 11.0326 11.0333 11.0333 13.9611 13.9611 13.9622 13.9622 14.8634 14.8634 14.8661 14.8661 16.2981 16.2981 k = 0.7283 0.1033-0.2275 ( 3194 PWs) bands (ev): -21.7411 -21.7411 -21.7411 -21.7411 -9.9628 -9.9628 -9.9627 -9.9627 -9.4607 -9.4607 -9.4606 -9.4606 -2.8187 -2.8187 -2.8184 -2.8184 -1.0243 -1.0243 -1.0242 -1.0242 0.7584 0.7584 0.7591 0.7591 1.5084 1.5084 1.5090 1.5090 3.2627 3.2627 3.2644 3.2644 4.3865 4.3865 4.3882 4.3882 8.5444 8.5444 8.5444 8.5444 10.4212 10.4212 10.4231 10.4231 11.0390 11.0390 11.0398 11.0398 13.9235 13.9235 13.9247 13.9247 14.8226 14.8226 14.8252 14.8252 16.3072 16.3074 k = 0.7207 0.1086-0.2140 ( 3194 PWs) bands (ev): -21.7413 -21.7413 -21.7413 -21.7413 -9.9587 -9.9587 -9.9586 -9.9586 -9.4603 -9.4603 -9.4602 -9.4602 -2.8405 -2.8405 -2.8402 -2.8402 -1.0098 -1.0098 -1.0097 -1.0097 0.7570 0.7570 0.7577 0.7577 1.5002 1.5002 1.5008 1.5008 3.2688 3.2688 3.2703 3.2703 4.3817 4.3817 4.3832 4.3832 8.5727 8.5727 8.5727 8.5727 10.4475 10.4475 10.4492 10.4492 11.0545 11.0545 11.0553 11.0553 13.8888 13.8888 13.8901 13.8901 14.7834 14.7834 14.7860 14.7860 16.3094 16.3094 k = 0.7131 0.1139-0.2004 ( 3192 PWs) bands (ev): -21.7415 -21.7415 -21.7415 -21.7415 -9.9538 -9.9538 -9.9537 -9.9537 -9.4603 -9.4603 -9.4602 -9.4602 -2.8638 -2.8638 -2.8634 -2.8634 -0.9943 -0.9943 -0.9941 -0.9941 0.7565 0.7565 0.7571 0.7571 1.4908 1.4908 1.4914 1.4914 3.2756 3.2756 3.2770 3.2770 4.3753 4.3753 4.3768 4.3768 8.6056 8.6056 8.6057 8.6057 10.4635 10.4635 10.4651 10.4651 11.0800 11.0800 11.0807 11.0807 13.8568 13.8568 13.8582 13.8582 14.7462 14.7462 14.7488 14.7488 16.3051 16.3051 k = 0.7055 0.1192-0.1869 ( 3200 PWs) bands (ev): -21.7418 -21.7418 -21.7418 -21.7418 -9.9482 -9.9482 -9.9481 -9.9481 -9.4608 -9.4608 -9.4607 -9.4607 -2.8884 -2.8884 -2.8880 -2.8880 -0.9779 -0.9779 -0.9777 -0.9777 0.7568 0.7568 0.7574 0.7574 1.4803 1.4803 1.4808 1.4808 3.2831 3.2831 3.2845 3.2845 4.3676 4.3676 4.3689 4.3689 8.6430 8.6430 8.6431 8.6431 10.4694 10.4694 10.4708 10.4708 11.1153 11.1153 11.1158 11.1158 13.8270 13.8270 13.8284 13.8284 14.7114 14.7114 14.7138 14.7138 16.2948 16.2948 k = 0.6979 0.1245-0.1733 ( 3202 PWs) bands (ev): -21.7420 -21.7420 -21.7420 -21.7420 -9.9419 -9.9419 -9.9418 -9.9418 -9.4617 -9.4617 -9.4616 -9.4616 -2.9140 -2.9140 -2.9136 -2.9136 -0.9607 -0.9607 -0.9605 -0.9605 0.7579 0.7579 0.7584 0.7584 1.4687 1.4687 1.4692 1.4692 3.2913 3.2913 3.2926 3.2926 4.3583 4.3583 4.3596 4.3596 8.6847 8.6847 8.6848 8.6848 10.4666 10.4666 10.4678 10.4678 11.1591 11.1591 11.1596 11.1596 13.7990 13.7990 13.8004 13.8004 14.6792 14.6792 14.6816 14.6816 16.2791 16.2791 k = 0.6902 0.1297-0.1598 ( 3190 PWs) bands (ev): -21.7422 -21.7422 -21.7422 -21.7422 -9.9350 -9.9350 -9.9349 -9.9349 -9.4630 -9.4630 -9.4629 -9.4629 -2.9405 -2.9405 -2.9401 -2.9401 -0.9429 -0.9429 -0.9427 -0.9427 0.7598 0.7598 0.7603 0.7603 1.4561 1.4561 1.4566 1.4566 3.3003 3.3003 3.3015 3.3015 4.3477 4.3477 4.3489 4.3489 8.7303 8.7303 8.7304 8.7304 10.4571 10.4571 10.4581 10.4581 11.2097 11.2097 11.2101 11.2101 13.7721 13.7721 13.7736 13.7736 14.6503 14.6503 14.6526 14.6526 16.2584 16.2584 k = 0.6826 0.1350-0.1462 ( 3194 PWs) bands (ev): -21.7425 -21.7425 -21.7425 -21.7425 -9.9274 -9.9274 -9.9272 -9.9272 -9.4647 -9.4647 -9.4646 -9.4646 -2.9677 -2.9677 -2.9673 -2.9673 -0.9248 -0.9248 -0.9246 -0.9246 0.7625 0.7625 0.7630 0.7630 1.4426 1.4426 1.4431 1.4431 3.3101 3.3101 3.3112 3.3112 4.3357 4.3357 4.3368 4.3368 8.7793 8.7793 8.7794 8.7794 10.4429 10.4429 10.4436 10.4436 11.2652 11.2652 11.2654 11.2654 13.7457 13.7457 13.7471 13.7471 14.6250 14.6250 14.6273 14.6273 16.2332 16.2332 k = 0.6750 0.1403-0.1327 ( 3190 PWs) bands (ev): -21.7428 -21.7428 -21.7428 -21.7428 -9.9191 -9.9191 -9.9190 -9.9190 -9.4669 -9.4669 -9.4668 -9.4668 -2.9954 -2.9954 -2.9951 -2.9951 -0.9063 -0.9063 -0.9061 -0.9061 0.7661 0.7661 0.7666 0.7666 1.4282 1.4282 1.4287 1.4287 3.3206 3.3206 3.3216 3.3216 4.3223 4.3223 4.3234 4.3234 8.8313 8.8313 8.8314 8.8314 10.4260 10.4260 10.4265 10.4265 11.3239 11.3239 11.3240 11.3240 13.7189 13.7189 13.7204 13.7204 14.6041 14.6041 14.6062 14.6062 16.2042 16.2042 k = 0.6674 0.1456-0.1191 ( 3188 PWs) bands (ev): -21.7431 -21.7431 -21.7431 -21.7431 -9.9103 -9.9103 -9.9102 -9.9102 -9.4696 -9.4696 -9.4695 -9.4695 -3.0234 -3.0234 -3.0231 -3.0231 -0.8878 -0.8878 -0.8875 -0.8875 0.7705 0.7705 0.7709 0.7709 1.4131 1.4131 1.4135 1.4135 3.3319 3.3319 3.3329 3.3329 4.3077 4.3077 4.3087 4.3087 8.8854 8.8854 8.8855 8.8855 10.4083 10.4083 10.4087 10.4087 11.3844 11.3844 11.3845 11.3845 13.6910 13.6910 13.6925 13.6925 14.5879 14.5879 14.5900 14.5900 16.1716 16.1716 k = 0.6598 0.1508-0.1056 ( 3188 PWs) bands (ev): -21.7434 -21.7434 -21.7434 -21.7434 -9.9009 -9.9009 -9.9008 -9.9008 -9.4727 -9.4727 -9.4726 -9.4726 -3.0516 -3.0516 -3.0513 -3.0513 -0.8692 -0.8692 -0.8689 -0.8689 0.7756 0.7756 0.7760 0.7760 1.3973 1.3973 1.3976 1.3976 3.3440 3.3440 3.3450 3.3450 4.2919 4.2919 4.2927 4.2927 8.9408 8.9408 8.9409 8.9409 10.3916 10.3916 10.3918 10.3918 11.4457 11.4457 11.4457 11.4457 13.6612 13.6612 13.6626 13.6626 14.5772 14.5772 14.5791 14.5791 16.1361 16.1361 k = 0.6522 0.1561-0.0921 ( 3190 PWs) bands (ev): -21.7437 -21.7437 -21.7437 -21.7437 -9.8910 -9.8910 -9.8909 -9.8909 -9.4762 -9.4762 -9.4761 -9.4761 -3.0798 -3.0798 -3.0795 -3.0795 -0.8508 -0.8508 -0.8505 -0.8505 0.7815 0.7815 0.7819 0.7819 1.3808 1.3808 1.3811 1.3811 3.3570 3.3570 3.3578 3.3578 4.2748 4.2748 4.2756 4.2756 8.9966 8.9966 8.9967 8.9967 10.3774 10.3774 10.3774 10.3774 11.5067 11.5067 11.5069 11.5069 13.6286 13.6286 13.6300 13.6300 14.5724 14.5724 14.5741 14.5741 16.0981 16.0981 k = 0.6446 0.1614-0.0785 ( 3192 PWs) bands (ev): -21.7440 -21.7440 -21.7440 -21.7440 -9.8805 -9.8805 -9.8804 -9.8804 -9.4802 -9.4802 -9.4801 -9.4801 -3.1077 -3.1077 -3.1074 -3.1074 -0.8326 -0.8326 -0.8323 -0.8323 0.7882 0.7882 0.7885 0.7885 1.3638 1.3638 1.3641 1.3641 3.3708 3.3708 3.3716 3.3716 4.2567 4.2567 4.2574 4.2574 9.0514 9.0514 9.0516 9.0516 10.3673 10.3673 10.3674 10.3674 11.5670 11.5670 11.5672 11.5672 13.5926 13.5926 13.5939 13.5939 14.5740 14.5740 14.5756 14.5756 16.0581 16.0581 k = 0.6370 0.1667-0.0650 ( 3190 PWs) bands (ev): -21.7443 -21.7443 -21.7442 -21.7442 -9.8696 -9.8696 -9.8695 -9.8695 -9.4847 -9.4847 -9.4846 -9.4846 -3.1353 -3.1353 -3.1350 -3.1350 -0.8148 -0.8148 -0.8145 -0.8145 0.7955 0.7955 0.7958 0.7958 1.3463 1.3463 1.3466 1.3466 3.3855 3.3855 3.3862 3.3862 4.2374 4.2374 4.2381 4.2381 9.1041 9.1041 9.1044 9.1044 10.3630 10.3630 10.3633 10.3633 11.6259 11.6259 11.6261 11.6261 13.5524 13.5524 13.5537 13.5537 14.5823 14.5823 14.5837 14.5837 16.0166 16.0166 k = 0.6294 0.1720-0.0514 ( 3184 PWs) bands (ev): -21.7445 -21.7445 -21.7445 -21.7445 -9.8583 -9.8583 -9.8582 -9.8582 -9.4896 -9.4896 -9.4895 -9.4895 -3.1623 -3.1623 -3.1621 -3.1621 -0.7974 -0.7974 -0.7972 -0.7972 0.8036 0.8036 0.8039 0.8039 1.3285 1.3285 1.3288 1.3288 3.4011 3.4011 3.4017 3.4017 4.2172 4.2172 4.2178 4.2178 9.1532 9.1532 9.1535 9.1535 10.3661 10.3661 10.3665 10.3665 11.6830 11.6830 11.6833 11.6833 13.5077 13.5077 13.5089 13.5089 14.5975 14.5975 14.5987 14.5987 15.9741 15.9741 k = 0.6218 0.1772-0.0379 ( 3180 PWs) bands (ev): -21.7448 -21.7448 -21.7448 -21.7448 -9.8466 -9.8466 -9.8465 -9.8465 -9.4950 -9.4950 -9.4949 -9.4949 -3.1887 -3.1887 -3.1885 -3.1885 -0.7806 -0.7806 -0.7804 -0.7804 0.8124 0.8124 0.8126 0.8126 1.3104 1.3104 1.3106 1.3106 3.4175 3.4175 3.4181 3.4181 4.1960 4.1960 4.1965 4.1965 9.1974 9.1974 9.1976 9.1976 10.3782 10.3782 10.3787 10.3787 11.7379 11.7379 11.7382 11.7382 13.4582 13.4582 13.4593 13.4593 14.6195 14.6195 14.6206 14.6206 15.9310 15.9310 k = 0.6141 0.1825-0.0243 ( 3180 PWs) bands (ev): -21.7451 -21.7451 -21.7451 -21.7451 -9.8346 -9.8346 -9.8345 -9.8345 -9.5009 -9.5009 -9.5008 -9.5008 -3.2142 -3.2142 -3.2140 -3.2140 -0.7645 -0.7645 -0.7643 -0.7643 0.8218 0.8218 0.8220 0.8220 1.2920 1.2920 1.2922 1.2922 3.4348 3.4348 3.4353 3.4353 4.1739 4.1739 4.1744 4.1744 9.2353 9.2353 9.2356 9.2356 10.4004 10.4004 10.4010 10.4010 11.7902 11.7902 11.7905 11.7905 13.4036 13.4036 13.4046 13.4046 14.6484 14.6484 14.6492 14.6492 15.8880 15.8881 k = 0.6065 0.1878-0.0108 ( 3178 PWs) bands (ev): -21.7454 -21.7454 -21.7454 -21.7454 -9.8222 -9.8222 -9.8221 -9.8221 -9.5072 -9.5072 -9.5071 -9.5071 -3.2388 -3.2388 -3.2386 -3.2386 -0.7491 -0.7491 -0.7489 -0.7489 0.8318 0.8318 0.8320 0.8320 1.2735 1.2735 1.2737 1.2737 3.4529 3.4529 3.4534 3.4534 4.1510 4.1510 4.1515 4.1515 9.2663 9.2663 9.2666 9.2666 10.4334 10.4334 10.4341 10.4341 11.8398 11.8398 11.8401 11.8401 13.3440 13.3440 13.3449 13.3449 14.6837 14.6837 14.6844 14.6844 15.8454 15.8454 k = 0.5989 0.1931 0.0028 ( 3174 PWs) bands (ev): -21.7457 -21.7457 -21.7457 -21.7457 -9.8096 -9.8096 -9.8095 -9.8095 -9.5140 -9.5140 -9.5139 -9.5139 -3.2622 -3.2622 -3.2621 -3.2621 -0.7345 -0.7345 -0.7343 -0.7343 0.8424 0.8424 0.8426 0.8426 1.2548 1.2548 1.2550 1.2550 3.4720 3.4720 3.4724 3.4724 4.1274 4.1274 4.1278 4.1278 9.2900 9.2900 9.2903 9.2903 10.4775 10.4775 10.4783 10.4783 11.8864 11.8864 11.8867 11.8867 13.2794 13.2794 13.2803 13.2803 14.7252 14.7252 14.7257 14.7257 15.8038 15.8039 k = 0.5913 0.1984 0.0163 ( 3172 PWs) bands (ev): -21.7459 -21.7459 -21.7459 -21.7459 -9.7968 -9.7968 -9.7967 -9.7967 -9.5212 -9.5212 -9.5211 -9.5211 -3.2845 -3.2845 -3.2843 -3.2843 -0.7208 -0.7208 -0.7206 -0.7206 0.8536 0.8536 0.8537 0.8537 1.2361 1.2361 1.2363 1.2363 3.4918 3.4918 3.4922 3.4922 4.1031 4.1031 4.1034 4.1034 9.3068 9.3068 9.3071 9.3071 10.5321 10.5321 10.5329 10.5329 11.9300 11.9300 11.9303 11.9303 13.2101 13.2101 13.2110 13.2110 14.7726 14.7726 14.7729 14.7729 15.7635 15.7637 k = 0.5837 0.2036 0.0299 ( 3168 PWs) bands (ev): -21.7462 -21.7462 -21.7462 -21.7462 -9.7838 -9.7838 -9.7837 -9.7837 -9.5289 -9.5289 -9.5288 -9.5288 -3.3054 -3.3054 -3.3052 -3.3052 -0.7080 -0.7080 -0.7078 -0.7078 0.8653 0.8653 0.8654 0.8654 1.2175 1.2175 1.2176 1.2176 3.5125 3.5125 3.5128 3.5128 4.0781 4.0781 4.0784 4.0784 9.3173 9.3173 9.3176 9.3176 10.5962 10.5962 10.5971 10.5971 11.9704 11.9704 11.9707 11.9707 13.1364 13.1364 13.1372 13.1372 14.8253 14.8253 14.8255 14.8255 15.7251 15.7253 k = 0.5761 0.2089 0.0434 ( 3164 PWs) bands (ev): -21.7464 -21.7464 -21.7464 -21.7464 -9.7706 -9.7706 -9.7705 -9.7705 -9.5370 -9.5370 -9.5370 -9.5370 -3.3248 -3.3248 -3.3247 -3.3247 -0.6962 -0.6962 -0.6959 -0.6959 0.8775 0.8775 0.8776 0.8776 1.1989 1.1989 1.1990 1.1990 3.5339 3.5339 3.5342 3.5342 4.0526 4.0526 4.0528 4.0528 9.3227 9.3227 9.3229 9.3229 10.6684 10.6684 10.6693 10.6693 12.0076 12.0076 12.0080 12.0080 13.0587 13.0587 13.0596 13.0596 14.8829 14.8829 14.8830 14.8830 15.6889 15.6890 k = 0.5685 0.2142 0.0570 ( 3166 PWs) bands (ev): -21.7466 -21.7466 -21.7466 -21.7466 -9.7574 -9.7574 -9.7573 -9.7573 -9.5456 -9.5456 -9.5456 -9.5456 -3.3428 -3.3428 -3.3426 -3.3426 -0.6853 -0.6853 -0.6851 -0.6851 0.8902 0.8902 0.8903 0.8903 1.1804 1.1804 1.1805 1.1805 3.5562 3.5562 3.5564 3.5564 4.0266 4.0266 4.0268 4.0268 9.3240 9.3240 9.3242 9.3242 10.7469 10.7469 10.7478 10.7478 12.0418 12.0418 12.0421 12.0421 12.9777 12.9777 12.9784 12.9784 14.9448 14.9448 14.9448 14.9448 15.6552 15.6553 k = 0.5609 0.2195 0.0705 ( 3160 PWs) bands (ev): -21.7468 -21.7468 -21.7468 -21.7468 -9.7441 -9.7441 -9.7440 -9.7440 -9.5547 -9.5547 -9.5546 -9.5546 -3.3590 -3.3590 -3.3589 -3.3589 -0.6756 -0.6756 -0.6754 -0.6754 0.9033 0.9033 0.9034 0.9034 1.1620 1.1620 1.1621 1.1621 3.5791 3.5791 3.5793 3.5793 4.0002 4.0002 4.0004 4.0004 9.3224 9.3224 9.3226 9.3226 10.8300 10.8300 10.8309 10.8309 12.0730 12.0730 12.0733 12.0733 12.8939 12.8939 12.8947 12.8947 15.0104 15.0104 15.0105 15.0105 15.6245 15.6245 k = 0.5533 0.2247 0.0841 ( 3160 PWs) bands (ev): -21.7470 -21.7470 -21.7470 -21.7470 -9.7309 -9.7309 -9.7308 -9.7308 -9.5641 -9.5641 -9.5640 -9.5640 -3.3736 -3.3736 -3.3735 -3.3735 -0.6669 -0.6669 -0.6667 -0.6667 0.9169 0.9169 0.9170 0.9170 1.1439 1.1439 1.1440 1.1440 3.6027 3.6027 3.6029 3.6029 3.9735 3.9735 3.9736 3.9736 9.3188 9.3188 9.3190 9.3190 10.9156 10.9156 10.9165 10.9165 12.1014 12.1014 12.1017 12.1017 12.8084 12.8084 12.8092 12.8092 15.0791 15.0791 15.0792 15.0792 15.5968 15.5969 k = 0.5457 0.2300 0.0976 ( 3156 PWs) bands (ev): -21.7471 -21.7471 -21.7471 -21.7471 -9.7176 -9.7176 -9.7175 -9.7175 -9.5740 -9.5740 -9.5739 -9.5739 -3.3864 -3.3864 -3.3863 -3.3863 -0.6593 -0.6593 -0.6592 -0.6592 0.9309 0.9309 0.9309 0.9309 1.1259 1.1259 1.1260 1.1260 3.6269 3.6269 3.6271 3.6271 3.9465 3.9465 3.9466 3.9466 9.3142 9.3142 9.3143 9.3143 11.0015 11.0015 11.0024 11.0024 12.1274 12.1274 12.1277 12.1277 12.7224 12.7224 12.7230 12.7230 15.1499 15.1499 15.1502 15.1502 15.5725 15.5726 k = 0.5380 0.2353 0.1112 ( 3148 PWs) bands (ev): -21.7473 -21.7473 -21.7473 -21.7473 -9.7044 -9.7044 -9.7044 -9.7044 -9.5842 -9.5842 -9.5842 -9.5842 -3.3973 -3.3973 -3.3972 -3.3972 -0.6528 -0.6528 -0.6527 -0.6527 0.9452 0.9452 0.9452 0.9452 1.1082 1.1082 1.1083 1.1083 3.6518 3.6518 3.6519 3.6519 3.9193 3.9193 3.9194 3.9194 9.3092 9.3092 9.3093 9.3093 11.0853 11.0853 11.0861 11.0861 12.1516 12.1516 12.1519 12.1519 12.6371 12.6371 12.6377 12.6377 15.2219 15.2219 15.2222 15.2222 15.5517 15.5517 k = 0.5304 0.2406 0.1247 ( 3142 PWs) bands (ev): -21.7474 -21.7474 -21.7474 -21.7474 -9.6914 -9.6914 -9.6913 -9.6913 -9.5949 -9.5949 -9.5948 -9.5948 -3.4063 -3.4063 -3.4062 -3.4062 -0.6475 -0.6475 -0.6474 -0.6474 0.9599 0.9599 0.9599 0.9599 1.0908 1.0908 1.0908 1.0908 3.6771 3.6771 3.6772 3.6772 3.8920 3.8920 3.8921 3.8921 9.3044 9.3044 9.3045 9.3045 11.1637 11.1637 11.1644 11.1644 12.1747 12.1747 12.1751 12.1751 12.5546 12.5546 12.5551 12.5551 15.2934 15.2934 15.2938 15.2938 15.5345 15.5345 k = 0.5228 0.2459 0.1383 ( 3140 PWs) bands (ev): -21.7475 -21.7475 -21.7475 -21.7475 -9.6785 -9.6785 -9.6784 -9.6784 -9.6059 -9.6059 -9.6058 -9.6058 -3.4133 -3.4133 -3.4133 -3.4133 -0.6434 -0.6434 -0.6433 -0.6433 0.9748 0.9748 0.9749 0.9749 1.0736 1.0736 1.0737 1.0737 3.7029 3.7029 3.7031 3.7031 3.8646 3.8646 3.8647 3.8647 9.3003 9.3003 9.3004 9.3004 11.2328 11.2328 11.2334 11.2334 12.1983 12.1983 12.1986 12.1986 12.4769 12.4769 12.4773 12.4773 15.3618 15.3618 15.3622 15.3622 15.5209 15.5209 k = 0.5152 0.2511 0.1518 ( 3140 PWs) bands (ev): -21.7475 -21.7475 -21.7475 -21.7475 -9.6658 -9.6658 -9.6657 -9.6657 -9.6173 -9.6173 -9.6172 -9.6172 -3.4184 -3.4184 -3.4183 -3.4183 -0.6404 -0.6404 -0.6404 -0.6404 0.9900 0.9900 0.9900 0.9900 1.0569 1.0569 1.0570 1.0570 3.7291 3.7291 3.7293 3.7293 3.8373 3.8373 3.8374 3.8374 9.2971 9.2971 9.2972 9.2972 11.2880 11.2880 11.2885 11.2885 12.2243 12.2243 12.2246 12.2246 12.4066 12.4066 12.4069 12.4069 15.4225 15.4226 15.4229 15.4229 15.5108 15.5108 k = 0.5076 0.2564 0.1653 ( 3148 PWs) bands (ev): -21.7476 -21.7476 -21.7476 -21.7476 -9.6533 -9.6533 -9.6532 -9.6532 -9.6289 -9.6289 -9.6288 -9.6288 -3.4214 -3.4214 -3.4214 -3.4214 -0.6386 -0.6386 -0.6386 -0.6386 1.0049 1.0049 1.0049 1.0049 1.0411 1.0411 1.0411 1.0411 3.7556 3.7556 3.7557 3.7557 3.8101 3.8101 3.8102 3.8102 9.2951 9.2951 9.2952 9.2952 11.3241 11.3241 11.3244 11.3244 12.2553 12.2553 12.2555 12.2555 12.3462 12.3462 12.3464 12.3464 15.4681 15.4681 15.4683 15.4683 15.5037 15.5038 k = 0.5000 0.2617 0.1789 ( 3150 PWs) bands (ev): -21.7476 -21.7476 -21.7476 -21.7476 -9.6423 -9.6423 -9.6423 -9.6423 -9.6396 -9.6396 -9.6396 -9.6396 -3.4224 -3.4224 -3.4224 -3.4224 -0.6380 -0.6380 -0.6380 -0.6380 1.0149 1.0149 1.0149 1.0149 1.0308 1.0308 1.0308 1.0308 3.7792 3.7792 3.7792 3.7792 3.7865 3.7865 3.7865 3.7865 9.2945 9.2945 9.2945 9.2945 11.3368 11.3368 11.3368 11.3368 12.2875 12.2875 12.2875 12.2875 12.3038 12.3038 12.3038 12.3038 15.4880 15.4880 15.4880 15.4880 15.4988 15.4988 k = 0.5000 0.2617 0.1789 ( 3150 PWs) bands (ev): -21.7476 -21.7476 -21.7476 -21.7476 -9.6423 -9.6423 -9.6423 -9.6423 -9.6396 -9.6396 -9.6396 -9.6396 -3.4224 -3.4224 -3.4224 -3.4224 -0.6380 -0.6380 -0.6380 -0.6380 1.0149 1.0149 1.0149 1.0149 1.0308 1.0308 1.0308 1.0308 3.7792 3.7792 3.7792 3.7792 3.7865 3.7865 3.7865 3.7865 9.2945 9.2945 9.2945 9.2945 11.3368 11.3368 11.3368 11.3368 12.2875 12.2875 12.2875 12.2875 12.3038 12.3038 12.3038 12.3038 15.4880 15.4880 15.4880 15.4880 15.4988 15.4988 k = 0.4861 0.2544 0.1739 ( 3150 PWs) bands (ev): -21.7534 -21.7534 -21.7418 -21.7418 -9.6546 -9.6546 -9.6519 -9.6519 -9.6299 -9.6299 -9.6272 -9.6272 -3.4348 -3.4348 -3.4091 -3.4091 -0.6607 -0.6607 -0.6166 -0.6166 1.0134 1.0134 1.0153 1.0153 1.0293 1.0293 1.0313 1.0313 3.7538 3.7538 3.7610 3.7610 3.8059 3.8059 3.8132 3.8132 9.2690 9.2690 9.3216 9.3216 11.2973 11.2973 11.3752 11.3752 12.2681 12.2681 12.2843 12.2843 12.3068 12.3068 12.3233 12.3233 15.4658 15.4658 15.4766 15.4766 15.5118 15.5118 k = 0.4722 0.2472 0.1690 ( 3135 PWs) bands (ev): -21.7591 -21.7591 -21.7361 -21.7361 -9.6669 -9.6669 -9.6641 -9.6641 -9.6174 -9.6174 -9.6147 -9.6147 -3.4463 -3.4463 -3.3948 -3.3948 -0.6846 -0.6846 -0.5963 -0.5963 1.0109 1.0109 1.0147 1.0147 1.0267 1.0267 1.0307 1.0307 3.7298 3.7298 3.7370 3.7370 3.8339 3.8339 3.8412 3.8412 9.2454 9.2454 9.3504 9.3504 11.2569 11.2569 11.4123 11.4123 12.2488 12.2488 12.2648 12.2648 12.3261 12.3261 12.3427 12.3427 15.4454 15.4454 15.4560 15.4560 15.5373 15.5373 k = 0.4583 0.2399 0.1640 ( 3132 PWs) bands (ev): -21.7648 -21.7648 -21.7303 -21.7303 -9.6790 -9.6790 -9.6762 -9.6762 -9.6048 -9.6048 -9.6022 -9.6022 -3.4569 -3.4569 -3.3795 -3.3795 -0.7097 -0.7097 -0.5773 -0.5773 1.0072 1.0072 1.0131 1.0131 1.0229 1.0229 1.0291 1.0291 3.7072 3.7072 3.7144 3.7144 3.8630 3.8630 3.8703 3.8703 9.2236 9.2236 9.3808 9.3808 11.2158 11.2158 11.4478 11.4478 12.2295 12.2295 12.2453 12.2453 12.3452 12.3452 12.3620 12.3620 15.4266 15.4266 15.4371 15.4371 15.5643 15.5643 k = 0.4444 0.2326 0.1590 ( 3138 PWs) bands (ev): -21.7706 -21.7706 -21.7247 -21.7247 -9.6910 -9.6910 -9.6881 -9.6881 -9.5923 -9.5923 -9.5898 -9.5898 -3.4665 -3.4665 -3.3633 -3.3633 -0.7360 -0.7360 -0.5596 -0.5596 1.0025 1.0025 1.0106 1.0106 1.0181 1.0181 1.0266 1.0266 3.6861 3.6861 3.6932 3.6932 3.8933 3.8933 3.9005 3.9005 9.2038 9.2038 9.4125 9.4125 11.1742 11.1742 11.4814 11.4814 12.2102 12.2102 12.2259 12.2259 12.3641 12.3641 12.3811 12.3811 15.4096 15.4096 15.4200 15.4200 15.5928 15.5928 k = 0.4306 0.2253 0.1540 ( 3144 PWs) bands (ev): -21.7762 -21.7762 -21.7190 -21.7190 -9.7028 -9.7028 -9.6999 -9.6999 -9.5798 -9.5798 -9.5773 -9.5773 -3.4754 -3.4754 -3.3461 -3.3461 -0.7635 -0.7635 -0.5430 -0.5430 0.9968 0.9968 1.0071 1.0071 1.0122 1.0122 1.0231 1.0231 3.6665 3.6665 3.6734 3.6734 3.9245 3.9245 3.9316 3.9316 9.1859 9.1859 9.4456 9.4456 11.1323 11.1323 11.5130 11.5130 12.1911 12.1911 12.2067 12.2067 12.3828 12.3828 12.4000 12.4000 15.3943 15.3943 15.4045 15.4045 15.6227 15.6227 k = 0.4167 0.2181 0.1491 ( 3153 PWs) bands (ev): -21.7819 -21.7819 -21.7134 -21.7134 -9.7145 -9.7145 -9.7115 -9.7115 -9.5673 -9.5673 -9.5649 -9.5649 -3.4834 -3.4834 -3.3279 -3.3279 -0.7922 -0.7922 -0.5276 -0.5276 0.9899 0.9899 1.0028 1.0028 1.0052 1.0052 1.0188 1.0188 3.6484 3.6484 3.6552 3.6552 3.9566 3.9566 3.9636 3.9636 9.1701 9.1701 9.4798 9.4798 11.0904 11.0904 11.5423 11.5423 12.1721 12.1721 12.1875 12.1875 12.4013 12.4013 12.4187 12.4187 15.3808 15.3808 15.3908 15.3908 15.6541 15.6541 k = 0.4028 0.2108 0.1441 ( 3165 PWs) bands (ev): -21.7874 -21.7874 -21.7079 -21.7079 -9.7259 -9.7259 -9.7229 -9.7229 -9.5549 -9.5549 -9.5525 -9.5525 -3.4906 -3.4906 -3.3087 -3.3087 -0.8220 -0.8220 -0.5133 -0.5133 0.9821 0.9821 0.9972 0.9972 0.9977 0.9977 1.0136 1.0136 3.6317 3.6317 3.6384 3.6384 3.9894 3.9894 3.9964 3.9964 9.1563 9.1563 9.5152 9.5152 11.0485 11.0485 11.5690 11.5690 12.1532 12.1532 12.1686 12.1686 12.4195 12.4195 12.4371 12.4371 15.3691 15.3691 15.3789 15.3789 15.6868 15.6868 k = 0.3889 0.2035 0.1391 ( 3150 PWs) bands (ev): -21.7929 -21.7929 -21.7025 -21.7025 -9.7371 -9.7371 -9.7341 -9.7341 -9.5426 -9.5426 -9.5402 -9.5402 -3.4970 -3.4970 -3.2885 -3.2885 -0.8528 -0.8528 -0.5002 -0.5002 0.9734 0.9734 0.9883 0.9883 0.9920 0.9920 1.0078 1.0078 3.6167 3.6167 3.6232 3.6232 4.0229 4.0229 4.0298 4.0298 9.1445 9.1445 9.5514 9.5514 11.0069 11.0069 11.5929 11.5929 12.1346 12.1346 12.1499 12.1499 12.4374 12.4374 12.4552 12.4552 15.3591 15.3591 15.3687 15.3687 15.7207 15.7207 k = 0.3750 0.1963 0.1342 ( 3162 PWs) bands (ev): -21.7983 -21.7983 -21.6971 -21.6971 -9.7481 -9.7481 -9.7450 -9.7450 -9.5304 -9.5304 -9.5281 -9.5281 -3.5027 -3.5027 -3.2674 -3.2674 -0.8847 -0.8847 -0.4881 -0.4881 0.9637 0.9637 0.9784 0.9784 0.9855 0.9855 1.0013 1.0013 3.6030 3.6030 3.6093 3.6093 4.0569 4.0569 4.0637 4.0637 9.1349 9.1349 9.5883 9.5883 10.9657 10.9657 11.6138 11.6138 12.1162 12.1162 12.1314 12.1314 12.4549 12.4549 12.4729 12.4729 15.3508 15.3508 15.3603 15.3603 15.7557 15.7562 k = 0.3611 0.1890 0.1292 ( 3159 PWs) bands (ev): -21.8036 -21.8036 -21.6919 -21.6919 -9.7588 -9.7588 -9.7557 -9.7557 -9.5183 -9.5183 -9.5161 -9.5161 -3.5077 -3.5077 -3.2453 -3.2453 -0.9176 -0.9176 -0.4772 -0.4772 0.9533 0.9533 0.9678 0.9678 0.9786 0.9786 0.9943 0.9943 3.5907 3.5907 3.5968 3.5968 4.0913 4.0913 4.0980 4.0980 9.1273 9.1273 9.6259 9.6259 10.9251 10.9251 11.6315 11.6315 12.0981 12.0981 12.1132 12.1132 12.4721 12.4721 12.4903 12.4903 15.3443 15.3443 15.3535 15.3535 15.7304 15.7304 k = 0.3472 0.1817 0.1242 ( 3162 PWs) bands (ev): -21.8088 -21.8088 -21.6868 -21.6868 -9.7692 -9.7692 -9.7661 -9.7661 -9.5065 -9.5065 -9.5042 -9.5042 -3.5120 -3.5120 -3.2223 -3.2223 -0.9514 -0.9514 -0.4672 -0.4672 0.9421 0.9421 0.9564 0.9564 0.9711 0.9711 0.9867 0.9867 3.5797 3.5797 3.5856 3.5856 4.1260 4.1260 4.1324 4.1324 9.1218 9.1218 9.6639 9.6639 10.8853 10.8853 11.6458 11.6458 12.0803 12.0803 12.0953 12.0953 12.4888 12.4888 12.5072 12.5072 15.3395 15.3395 15.3484 15.3484 15.6905 15.6905 k = 0.3333 0.1745 0.1193 ( 3162 PWs) bands (ev): -21.8139 -21.8139 -21.6817 -21.6817 -9.7793 -9.7793 -9.7762 -9.7762 -9.4948 -9.4948 -9.4926 -9.4926 -3.5157 -3.5157 -3.1984 -3.1984 -0.9861 -0.9861 -0.4582 -0.4582 0.9303 0.9303 0.9443 0.9443 0.9632 0.9632 0.9787 0.9787 3.5700 3.5700 3.5757 3.5757 4.1607 4.1607 4.1670 4.1670 9.1183 9.1183 9.7021 9.7021 10.8463 10.8463 11.6565 11.6565 12.0628 12.0628 12.0778 12.0778 12.5050 12.5050 12.5237 12.5237 15.3363 15.3363 15.3450 15.3450 15.6426 15.6426 k = 0.3194 0.1672 0.1143 ( 3156 PWs) bands (ev): -21.8189 -21.8189 -21.6768 -21.6768 -9.7892 -9.7892 -9.7860 -9.7860 -9.4833 -9.4833 -9.4811 -9.4811 -3.5188 -3.5188 -3.1736 -3.1736 -1.0216 -1.0216 -0.4501 -0.4501 0.9179 0.9179 0.9317 0.9317 0.9550 0.9550 0.9704 0.9704 3.5616 3.5616 3.5671 3.5671 4.1954 4.1954 4.2016 4.2016 9.1169 9.1169 9.7404 9.7404 10.8084 10.8084 11.6636 11.6636 12.0458 12.0458 12.0607 12.0607 12.5208 12.5208 12.5397 12.5397 15.3347 15.3347 15.3431 15.3431 15.5866 15.5866 k = 0.3056 0.1599 0.1093 ( 3162 PWs) bands (ev): -21.8237 -21.8237 -21.6721 -21.6721 -9.7987 -9.7987 -9.7955 -9.7955 -9.4721 -9.4721 -9.4700 -9.4700 -3.5213 -3.5213 -3.1480 -3.1480 -1.0578 -1.0578 -0.4429 -0.4429 0.9050 0.9050 0.9185 0.9185 0.9465 0.9465 0.9619 0.9619 3.5543 3.5543 3.5596 3.5596 4.2299 4.2299 4.2359 4.2359 9.1174 9.1174 9.7786 9.7786 10.7716 10.7716 11.6668 11.6668 12.0291 12.0291 12.0440 12.0440 12.5360 12.5360 12.5551 12.5551 15.3347 15.3347 15.3428 15.3428 15.5237 15.5237 k = 0.2917 0.1527 0.1044 ( 3165 PWs) bands (ev): -21.8284 -21.8284 -21.6675 -21.6675 -9.8079 -9.8079 -9.8046 -9.8046 -9.4611 -9.4611 -9.4591 -9.4591 -3.5234 -3.5234 -3.1216 -3.1216 -1.0946 -1.0946 -0.4365 -0.4365 0.8918 0.8918 0.9051 0.9051 0.9379 0.9379 0.9531 0.9531 3.5481 3.5481 3.5531 3.5531 4.2641 4.2641 4.2699 4.2699 9.1198 9.1198 9.8164 9.8164 10.7361 10.7361 11.6662 11.6662 12.0129 12.0129 12.0277 12.0277 12.5507 12.5507 12.5700 12.5700 15.3361 15.3361 15.3439 15.3439 15.4560 15.4560 k = 0.2778 0.1454 0.0994 ( 3171 PWs) bands (ev): -21.8329 -21.8329 -21.6630 -21.6630 -9.8167 -9.8167 -9.8134 -9.8134 -9.4505 -9.4505 -9.4485 -9.4485 -3.5249 -3.5249 -3.0944 -3.0944 -1.1321 -1.1321 -0.4309 -0.4309 0.8783 0.8783 0.8913 0.8913 0.9291 0.9291 0.9442 0.9442 3.5429 3.5429 3.5476 3.5476 4.2978 4.2978 4.3035 4.3035 9.1241 9.1241 9.8536 9.8536 10.7020 10.7020 11.6619 11.6619 11.9972 11.9972 12.0119 12.0119 12.5647 12.5647 12.5842 12.5842 15.3388 15.3388 15.3463 15.3463 15.3858 15.3858 k = 0.2639 0.1381 0.0944 ( 3174 PWs) bands (ev): -21.8373 -21.8373 -21.6587 -21.6587 -9.8252 -9.8252 -9.8219 -9.8219 -9.4402 -9.4402 -9.4382 -9.4382 -3.5261 -3.5261 -3.0666 -3.0666 -1.1700 -1.1700 -0.4261 -0.4261 0.8646 0.8646 0.8774 0.8774 0.9203 0.9203 0.9353 0.9353 3.5385 3.5385 3.5431 3.5431 4.3309 4.3309 4.3364 4.3364 9.1301 9.1301 9.8901 9.8901 10.6695 10.6695 11.6538 11.6538 11.9820 11.9820 11.9967 11.9967 12.5781 12.5781 12.5979 12.5979 15.3146 15.3146 15.3432 15.3432 15.3500 15.3500 k = 0.2500 0.1308 0.0894 ( 3174 PWs) bands (ev): -21.8415 -21.8415 -21.6546 -21.6546 -9.8333 -9.8333 -9.8300 -9.8300 -9.4302 -9.4302 -9.4283 -9.4283 -3.5269 -3.5269 -3.0381 -3.0381 -1.2083 -1.2083 -0.4218 -0.4218 0.8509 0.8509 0.8635 0.8635 0.9115 0.9115 0.9264 0.9264 3.5351 3.5351 3.5394 3.5394 4.3633 4.3633 4.3687 4.3687 9.1377 9.1377 9.9255 9.9255 10.6388 10.6388 11.6421 11.6421 11.9673 11.9673 11.9820 11.9820 12.5909 12.5909 12.6109 12.6109 15.2452 15.2452 15.3483 15.3483 15.3549 15.3549 k = 0.2361 0.1236 0.0845 ( 3186 PWs) bands (ev): -21.8456 -21.8456 -21.6506 -21.6506 -9.8411 -9.8411 -9.8377 -9.8377 -9.4206 -9.4206 -9.4187 -9.4187 -3.5273 -3.5273 -3.0091 -3.0091 -1.2468 -1.2468 -0.4182 -0.4182 0.8373 0.8373 0.8496 0.8496 0.9028 0.9028 0.9176 0.9176 3.5323 3.5323 3.5364 3.5364 4.3948 4.3948 4.4000 4.4000 9.1468 9.1468 9.9595 9.9595 10.6099 10.6099 11.6271 11.6271 11.9532 11.9532 11.9679 11.9679 12.6031 12.6031 12.6233 12.6233 15.1780 15.1780 15.3545 15.3545 15.3608 15.3608 k = 0.2222 0.1163 0.0795 ( 3198 PWs) bands (ev): -21.8494 -21.8494 -21.6469 -21.6469 -9.8484 -9.8484 -9.8450 -9.8450 -9.4115 -9.4115 -9.4096 -9.4096 -3.5275 -3.5275 -2.9797 -2.9797 -1.2855 -1.2855 -0.4152 -0.4152 0.8238 0.8238 0.8359 0.8359 0.8942 0.8942 0.9089 0.9089 3.5302 3.5302 3.5340 3.5340 4.4253 4.4253 4.4303 4.4303 9.1573 9.1573 9.9921 9.9921 10.5831 10.5831 11.6089 11.6089 11.9397 11.9397 11.9543 11.9543 12.6146 12.6146 12.6349 12.6349 15.1142 15.1142 15.3617 15.3617 15.3677 15.3677 k = 0.2083 0.1090 0.0745 ( 3198 PWs) bands (ev): -21.8531 -21.8531 -21.6433 -21.6433 -9.8554 -9.8554 -9.8520 -9.8520 -9.4027 -9.4027 -9.4008 -9.4008 -3.5273 -3.5273 -2.9500 -2.9500 -1.3241 -1.3241 -0.4127 -0.4127 0.8106 0.8106 0.8225 0.8225 0.8859 0.8859 0.9005 0.9005 3.5287 3.5287 3.5323 3.5323 4.4546 4.4546 4.4596 4.4596 9.1691 9.1691 10.0227 10.0227 10.5586 10.5586 11.5880 11.5880 11.9269 11.9269 11.9415 11.9415 12.6254 12.6254 12.6460 12.6460 15.0543 15.0543 15.3697 15.3697 15.3753 15.3753 k = 0.1944 0.1018 0.0696 ( 3198 PWs) bands (ev): -21.8565 -21.8565 -21.6399 -21.6399 -9.8619 -9.8619 -9.8585 -9.8585 -9.3944 -9.3944 -9.3926 -9.3926 -3.5270 -3.5270 -2.9200 -2.9200 -1.3625 -1.3625 -0.4106 -0.4106 0.7978 0.7978 0.8094 0.8094 0.8778 0.8778 0.8923 0.8923 3.5276 3.5276 3.5311 3.5311 4.4828 4.4828 4.4875 4.4875 9.1819 9.1819 10.0512 10.0512 10.5365 10.5365 11.5647 11.5647 11.9147 11.9147 11.9293 11.9293 12.6356 12.6356 12.6563 12.6563 14.9987 14.9987 15.3783 15.3783 15.3836 15.3836 k = 0.1806 0.0945 0.0646 ( 3198 PWs) bands (ev): -21.8597 -21.8597 -21.6368 -21.6368 -9.8681 -9.8681 -9.8646 -9.8646 -9.3866 -9.3866 -9.3848 -9.3848 -3.5265 -3.5265 -2.8900 -2.8900 -1.4005 -1.4005 -0.4089 -0.4089 0.7854 0.7854 0.7969 0.7969 0.8701 0.8701 0.8845 0.8845 3.5270 3.5270 3.5302 3.5302 4.5095 4.5095 4.5141 4.5141 9.1956 9.1956 10.0772 10.0772 10.5170 10.5170 11.5396 11.5396 11.9032 11.9032 11.9178 11.9178 12.6450 12.6450 12.6659 12.6659 14.9475 14.9475 15.3874 15.3874 15.3923 15.3923 k = 0.1667 0.0872 0.0596 ( 3198 PWs) bands (ev): -21.8628 -21.8628 -21.6338 -21.6338 -9.8738 -9.8738 -9.8703 -9.8703 -9.3792 -9.3792 -9.3774 -9.3774 -3.5259 -3.5259 -2.8601 -2.8601 -1.4380 -1.4380 -0.4076 -0.4076 0.7735 0.7735 0.7848 0.7848 0.8627 0.8627 0.8771 0.8771 3.5268 3.5268 3.5298 3.5298 4.5348 4.5348 4.5393 4.5393 9.2099 9.2099 10.1005 10.1005 10.5004 10.5004 11.5129 11.5129 11.8924 11.8924 11.9070 11.9070 12.6537 12.6537 12.6748 12.6748 14.9008 14.9008 15.3968 15.3968 15.4013 15.4013 k = 0.1528 0.0800 0.0547 ( 3216 PWs) bands (ev): -21.8656 -21.8656 -21.6311 -21.6311 -9.8790 -9.8790 -9.8756 -9.8756 -9.3724 -9.3724 -9.3706 -9.3706 -3.5251 -3.5251 -2.8305 -2.8305 -1.4746 -1.4746 -0.4065 -0.4065 0.7623 0.7623 0.7734 0.7734 0.8558 0.8558 0.8700 0.8700 3.5267 3.5267 3.5296 3.5296 4.5584 4.5584 4.5628 4.5628 9.2246 9.2246 10.1206 10.1206 10.4867 10.4867 11.4854 11.4854 11.8824 11.8824 11.8970 11.8970 12.6617 12.6617 12.6829 12.6829 14.8586 14.8586 15.4063 15.4063 15.4105 15.4105 k = 0.1389 0.0727 0.0497 ( 3207 PWs) bands (ev): -21.8682 -21.8682 -21.6285 -21.6285 -9.8839 -9.8839 -9.8804 -9.8804 -9.3661 -9.3661 -9.3644 -9.3644 -3.5243 -3.5243 -2.8015 -2.8015 -1.5102 -1.5102 -0.4058 -0.4058 0.7518 0.7518 0.7627 0.7627 0.8493 0.8493 0.8635 0.8635 3.5269 3.5269 3.5296 3.5296 4.5804 4.5804 4.5846 4.5846 9.2395 9.2395 10.1375 10.1375 10.4762 10.4762 11.4576 11.4576 11.8732 11.8732 11.8878 11.8878 12.6690 12.6690 12.6904 12.6904 14.8207 14.8207 15.4158 15.4158 15.4196 15.4196 k = 0.1250 0.0654 0.0447 ( 3204 PWs) bands (ev): -21.8705 -21.8705 -21.6262 -21.6262 -9.8883 -9.8883 -9.8847 -9.8847 -9.3603 -9.3603 -9.3586 -9.3586 -3.5235 -3.5235 -2.7733 -2.7733 -1.5444 -1.5444 -0.4052 -0.4052 0.7420 0.7420 0.7528 0.7528 0.8433 0.8433 0.8574 0.8574 3.5273 3.5273 3.5299 3.5299 4.6005 4.6005 4.6047 4.6047 9.2542 9.2542 10.1510 10.1510 10.4688 10.4688 11.4300 11.4300 11.8647 11.8647 11.8793 11.8793 12.6757 12.6757 12.6971 12.6971 14.7871 14.7871 15.4250 15.4250 15.4285 15.4285 k = 0.1111 0.0582 0.0398 ( 3210 PWs) bands (ev): -21.8726 -21.8726 -21.6242 -21.6242 -9.8922 -9.8922 -9.8887 -9.8887 -9.3551 -9.3551 -9.3534 -9.3534 -3.5227 -3.5227 -2.7463 -2.7463 -1.5768 -1.5768 -0.4048 -0.4048 0.7331 0.7331 0.7438 0.7438 0.8378 0.8378 0.8519 0.8519 3.5278 3.5278 3.5302 3.5302 4.6188 4.6188 4.6228 4.6228 9.2685 9.2685 10.1613 10.1613 10.4642 10.4642 11.4032 11.4032 11.8571 11.8571 11.8717 11.8717 12.6815 12.6815 12.7032 12.7032 14.7576 14.7576 15.4338 15.4338 15.4370 15.4370 k = 0.0972 0.0509 0.0348 ( 3204 PWs) bands (ev): -21.8745 -21.8745 -21.6224 -21.6224 -9.8957 -9.8957 -9.8922 -9.8922 -9.3505 -9.3505 -9.3488 -9.3488 -3.5219 -3.5219 -2.7208 -2.7208 -1.6072 -1.6072 -0.4045 -0.4045 0.7251 0.7251 0.7356 0.7356 0.8330 0.8330 0.8470 0.8470 3.5284 3.5284 3.5307 3.5307 4.6351 4.6351 4.6390 4.6390 9.2822 9.2822 10.1686 10.1686 10.4621 10.4621 11.3780 11.3780 11.8503 11.8503 11.8649 11.8649 12.6867 12.6867 12.7085 12.7085 14.7321 14.7321 15.4421 15.4421 15.4450 15.4450 k = 0.0833 0.0436 0.0298 ( 3207 PWs) bands (ev): -21.8761 -21.8761 -21.6208 -21.6208 -9.8987 -9.8987 -9.8952 -9.8952 -9.3465 -9.3465 -9.3448 -9.3448 -3.5212 -3.5212 -2.6972 -2.6972 -1.6350 -1.6350 -0.4044 -0.4044 0.7181 0.7181 0.7285 0.7285 0.8287 0.8287 0.8426 0.8426 3.5289 3.5289 3.5311 3.5311 4.6494 4.6494 4.6532 4.6532 9.2948 9.2948 10.1735 10.1735 10.4620 10.4620 11.3547 11.3547 11.8444 11.8444 11.8590 11.8590 12.6912 12.6912 12.7130 12.7130 14.7104 14.7104 15.4496 15.4496 15.4523 15.4523 k = 0.0694 0.0363 0.0248 ( 3207 PWs) bands (ev): -21.8775 -21.8775 -21.6194 -21.6194 -9.9013 -9.9013 -9.8977 -9.8977 -9.3430 -9.3430 -9.3414 -9.3414 -3.5205 -3.5205 -2.6761 -2.6761 -1.6598 -1.6598 -0.4043 -0.4043 0.7121 0.7121 0.7224 0.7224 0.8250 0.8250 0.8389 0.8389 3.5294 3.5294 3.5316 3.5316 4.6616 4.6616 4.6653 4.6653 9.3060 9.3060 10.1764 10.1764 10.4632 10.4632 11.3339 11.3339 11.8394 11.8394 11.8540 11.8540 12.6951 12.6951 12.7170 12.7170 14.6922 14.6922 15.4562 15.4562 15.4587 15.4587 k = 0.0556 0.0291 0.0199 ( 3207 PWs) bands (ev): -21.8787 -21.8787 -21.6183 -21.6183 -9.9034 -9.9034 -9.8999 -9.8999 -9.3402 -9.3402 -9.3386 -9.3386 -3.5199 -3.5199 -2.6578 -2.6578 -1.6810 -1.6810 -0.4043 -0.4043 0.7071 0.7071 0.7173 0.7173 0.8220 0.8220 0.8359 0.8359 3.5299 3.5299 3.5320 3.5320 4.6716 4.6716 4.6753 4.6753 9.3157 9.3157 10.1780 10.1780 10.4651 10.4651 11.3162 11.3162 11.8353 11.8353 11.8499 11.8499 12.6982 12.6982 12.7201 12.7201 14.6776 14.6776 15.4618 15.4618 15.4641 15.4641 k = 0.0417 0.0218 0.0149 ( 3207 PWs) bands (ev): -21.8795 -21.8795 -21.6174 -21.6174 -9.9051 -9.9051 -9.9015 -9.9015 -9.3380 -9.3380 -9.3364 -9.3364 -3.5195 -3.5195 -2.6429 -2.6429 -1.6982 -1.6982 -0.4043 -0.4043 0.7031 0.7031 0.7133 0.7133 0.8196 0.8196 0.8335 0.8335 3.5303 3.5303 3.5323 3.5323 4.6795 4.6795 4.6832 4.6832 9.3236 9.3236 10.1787 10.1787 10.4671 10.4671 11.3019 11.3019 11.8321 11.8321 11.8466 11.8466 12.7006 12.7006 12.7226 12.7226 14.6663 14.6663 15.4663 15.4663 15.4685 15.4685 k = 0.0278 0.0145 0.0099 ( 3207 PWs) bands (ev): -21.8802 -21.8802 -21.6168 -21.6168 -9.9062 -9.9062 -9.9027 -9.9027 -9.3364 -9.3364 -9.3348 -9.3348 -3.5191 -3.5191 -2.6319 -2.6319 -1.7109 -1.7109 -0.4043 -0.4043 0.7003 0.7003 0.7105 0.7105 0.8179 0.8179 0.8317 0.8317 3.5306 3.5306 3.5326 3.5326 4.6851 4.6851 4.6888 4.6888 9.3293 9.3293 10.1789 10.1789 10.4689 10.4689 11.2915 11.2915 11.8297 11.8297 11.8443 11.8443 12.7023 12.7023 12.7243 12.7243 14.6583 14.6583 15.4696 15.4696 15.4716 15.4716 k = 0.0139 0.0073 0.0050 ( 3204 PWs) bands (ev): -21.8806 -21.8806 -21.6165 -21.6165 -9.9069 -9.9069 -9.9034 -9.9034 -9.3355 -9.3355 -9.3339 -9.3339 -3.5189 -3.5189 -2.6251 -2.6251 -1.7187 -1.7187 -0.4043 -0.4043 0.6986 0.6986 0.7088 0.7088 0.8169 0.8169 0.8307 0.8307 3.5308 3.5308 3.5327 3.5327 4.6885 4.6885 4.6922 4.6922 9.3328 9.3328 10.1789 10.1789 10.4701 10.4701 11.2851 11.2851 11.8284 11.8284 11.8429 11.8429 12.7033 12.7033 12.7254 12.7254 14.6535 14.6535 15.4716 15.4716 15.4736 15.4736 k = 0.0000 0.0000 0.0000 ( 3211 PWs) bands (ev): -21.8807 -21.8807 -21.6163 -21.6163 -9.9072 -9.9072 -9.9036 -9.9036 -9.3352 -9.3352 -9.3336 -9.3336 -3.5188 -3.5188 -2.6229 -2.6229 -1.7213 -1.7213 -0.4043 -0.4043 0.6981 0.6981 0.7082 0.7082 0.8165 0.8165 0.8303 0.8303 3.5309 3.5309 3.5328 3.5328 4.6896 4.6896 4.6933 4.6933 9.3340 9.3340 10.1789 10.1789 10.4705 10.4705 11.2829 11.2829 11.8279 11.8279 11.8425 11.8425 12.7036 12.7036 12.7257 12.7257 14.6520 14.6520 15.4723 15.4723 15.4742 15.4742 k = 0.0000 0.0000 0.0000 ( 3211 PWs) bands (ev): -21.8807 -21.8807 -21.6163 -21.6163 -9.9072 -9.9072 -9.9036 -9.9036 -9.3352 -9.3352 -9.3336 -9.3336 -3.5188 -3.5188 -2.6229 -2.6229 -1.7213 -1.7213 -0.4043 -0.4043 0.6981 0.6981 0.7082 0.7082 0.8165 0.8165 0.8303 0.8303 3.5309 3.5309 3.5328 3.5328 4.6896 4.6896 4.6933 4.6933 9.3340 9.3340 10.1789 10.1789 10.4705 10.4705 11.2829 11.2829 11.8279 11.8279 11.8425 11.8425 12.7036 12.7036 12.7257 12.7257 14.6520 14.6520 15.4723 15.4723 15.4742 15.4742 k = 0.0075-0.0052-0.0133 ( 3211 PWs) bands (ev): -21.8806 -21.8806 -21.6164 -21.6164 -9.9071 -9.9071 -9.9035 -9.9035 -9.3356 -9.3356 -9.3339 -9.3339 -3.5184 -3.5184 -2.6213 -2.6213 -1.7226 -1.7226 -0.4042 -0.4042 0.6989 0.6989 0.7090 0.7090 0.8169 0.8169 0.8307 0.8307 3.5307 3.5307 3.5327 3.5327 4.6887 4.6887 4.6924 4.6924 9.3357 9.3357 10.1727 10.1727 10.4713 10.4713 11.2541 11.2541 11.8317 11.8317 11.8656 11.8656 12.7049 12.7049 12.7280 12.7280 14.6494 14.6494 15.4698 15.4698 15.4755 15.4755 k = 0.0150-0.0104-0.0267 ( 3203 PWs) bands (ev): -21.8803 -21.8803 -21.6167 -21.6167 -9.9069 -9.9069 -9.9033 -9.9033 -9.3373 -9.3373 -9.3346 -9.3346 -3.5171 -3.5171 -2.6167 -2.6167 -1.7263 -1.7263 -0.4040 -0.4040 0.7012 0.7012 0.7117 0.7117 0.8179 0.8179 0.8321 0.8321 3.5299 3.5299 3.5329 3.5329 4.6857 4.6857 4.6903 4.6903 9.3409 9.3409 10.1543 10.1543 10.4740 10.4740 11.1809 11.1809 11.8274 11.8274 11.9378 11.9378 12.7044 12.7044 12.7391 12.7391 14.6418 14.6418 15.4610 15.4610 15.4816 15.4816 k = 0.0225-0.0156-0.0400 ( 3207 PWs) bands (ev): -21.8797 -21.8797 -21.6171 -21.6171 -9.9067 -9.9067 -9.9027 -9.9027 -9.3405 -9.3405 -9.3353 -9.3353 -3.5149 -3.5149 -2.6089 -2.6089 -1.7325 -1.7325 -0.4036 -0.4036 0.7045 0.7045 0.7166 0.7166 0.8190 0.8190 0.8347 0.8347 3.5281 3.5281 3.5336 3.5336 4.6800 4.6800 4.6874 4.6874 9.3494 9.3494 10.1242 10.1242 10.4783 10.4783 11.0841 11.0841 11.8183 11.8183 12.0346 12.0346 12.6984 12.6984 12.7620 12.7620 14.6289 14.6289 15.4484 15.4484 15.4920 15.4920 k = 0.0299-0.0208-0.0533 ( 3207 PWs) bands (ev): -21.8790 -21.8790 -21.6177 -21.6177 -9.9064 -9.9064 -9.9019 -9.9019 -9.3452 -9.3452 -9.3361 -9.3361 -3.5119 -3.5119 -2.5982 -2.5982 -1.7411 -1.7411 -0.4031 -0.4031 0.7084 0.7084 0.7240 0.7240 0.8200 0.8200 0.8392 0.8392 3.5255 3.5255 3.5348 3.5348 4.6716 4.6716 4.6836 4.6836 9.3613 9.3613 10.0833 10.0833 10.4844 10.4844 10.9761 10.9761 11.8054 11.8054 12.1427 12.1427 12.6880 12.6880 12.7949 12.7949 14.6107 14.6107 15.4348 15.4348 15.5067 15.5067 k = 0.0374-0.0260-0.0666 ( 3211 PWs) bands (ev): -21.8780 -21.8780 -21.6185 -21.6185 -9.9063 -9.9063 -9.9007 -9.9007 -9.3511 -9.3511 -9.3372 -9.3372 -3.5080 -3.5080 -2.5845 -2.5845 -1.7520 -1.7520 -0.4025 -0.4025 0.7130 0.7130 0.7338 0.7338 0.8208 0.8208 0.8454 0.8454 3.5221 3.5221 3.5364 3.5364 4.6608 4.6608 4.6790 4.6790 9.3764 9.3764 10.0328 10.0328 10.4920 10.4920 10.8632 10.8632 11.7888 11.7888 12.2557 12.2557 12.6741 12.6741 12.8360 12.8360 14.5873 14.5873 15.4227 15.4227 15.5255 15.5255 k = 0.0449-0.0312-0.0800 ( 3211 PWs) bands (ev): -21.8768 -21.8768 -21.6194 -21.6194 -9.9062 -9.9062 -9.8990 -9.8990 -9.3583 -9.3583 -9.3384 -9.3384 -3.5032 -3.5032 -2.5678 -2.5678 -1.7650 -1.7650 -0.4018 -0.4018 0.7183 0.7183 0.7456 0.7456 0.8214 0.8214 0.8535 0.8535 3.5179 3.5179 3.5384 3.5384 4.6476 4.6476 4.6735 4.6735 9.3946 9.3946 9.9738 9.9738 10.5012 10.5012 10.7484 10.7484 11.7685 11.7685 12.3705 12.3705 12.6569 12.6569 12.8838 12.8838 14.5589 14.5589 15.4142 15.4142 15.5487 15.5487 k = 0.0524-0.0363-0.0933 ( 3211 PWs) bands (ev): -21.8755 -21.8755 -21.6206 -21.6206 -9.9063 -9.9063 -9.8969 -9.8969 -9.3667 -9.3667 -9.3399 -9.3399 -3.4976 -3.4976 -2.5483 -2.5483 -1.7802 -1.7802 -0.4011 -0.4011 0.7243 0.7243 0.7591 0.7591 0.8223 0.8223 0.8632 0.8632 3.5129 3.5129 3.5409 3.5409 4.6320 4.6320 4.6670 4.6670 9.4158 9.4158 9.9075 9.9075 10.5119 10.5119 10.6335 10.6335 11.7445 11.7445 12.4851 12.4851 12.6365 12.6365 12.9371 12.9371 14.5262 14.5262 15.4106 15.4106 15.5761 15.5761 k = 0.0599-0.0415-0.1066 ( 3214 PWs) bands (ev): -21.8739 -21.8739 -21.6218 -21.6218 -9.9064 -9.9064 -9.8945 -9.8945 -9.3763 -9.3763 -9.3416 -9.3416 -3.4911 -3.4911 -2.5261 -2.5261 -1.7973 -1.7973 -0.4005 -0.4005 0.7310 0.7310 0.7734 0.7734 0.8242 0.8242 0.8745 0.8745 3.5071 3.5071 3.5438 3.5438 4.6143 4.6143 4.6596 4.6596 9.4397 9.4397 9.8352 9.8352 10.5181 10.5181 10.5255 10.5255 11.7170 11.7170 12.5983 12.5983 12.6132 12.6132 12.9949 12.9949 14.4898 14.4898 15.4126 15.4126 15.6077 15.6077 k = 0.0674-0.0467-0.1199 ( 3208 PWs) bands (ev): -21.8721 -21.8721 -21.6233 -21.6233 -9.9065 -9.9065 -9.8917 -9.8917 -9.3870 -9.3870 -9.3435 -9.3435 -3.4838 -3.4838 -2.5012 -2.5012 -1.8162 -1.8162 -0.4000 -0.4000 0.7385 0.7385 0.7872 0.7872 0.8283 0.8283 0.8872 0.8872 3.5006 3.5006 3.5473 3.5473 4.5943 4.5943 4.6512 4.6512 9.4664 9.4664 9.7580 9.7580 10.4075 10.4075 10.5374 10.5374 11.6859 11.6859 12.5867 12.5867 12.7094 12.7094 13.0561 13.0561 14.4509 14.4509 15.4203 15.4203 15.6435 15.6435 k = 0.0749-0.0519-0.1333 ( 3208 PWs) bands (ev): -21.8702 -21.8702 -21.6249 -21.6249 -9.9067 -9.9067 -9.8884 -9.8884 -9.3987 -9.3987 -9.3456 -9.3456 -3.4756 -3.4756 -2.4738 -2.4738 -1.8368 -1.8368 -0.3998 -0.3998 0.7468 0.7468 0.7976 0.7976 0.8371 0.8371 0.9013 0.9013 3.4933 3.4933 3.5513 3.5513 4.5723 4.5723 4.6420 4.6420 9.4953 9.4953 9.6770 9.6770 10.2980 10.2980 10.5518 10.5518 11.6514 11.6514 12.5574 12.5574 12.8174 12.8174 13.1198 13.1198 14.4102 14.4102 15.4337 15.4337 15.6833 15.6833 k = 0.0823-0.0571-0.1466 ( 3198 PWs) bands (ev): -21.8680 -21.8680 -21.6267 -21.6267 -9.9070 -9.9070 -9.8848 -9.8848 -9.4114 -9.4114 -9.3480 -9.3480 -3.4665 -3.4665 -2.4440 -2.4440 -1.8589 -1.8589 -0.3997 -0.3997 0.7558 0.7558 0.8034 0.8034 0.8521 0.8521 0.9166 0.9166 3.4853 3.4853 3.5560 3.5560 4.5483 4.5483 4.6319 4.6319 9.5263 9.5263 9.5932 9.5932 10.1914 10.1914 10.5672 10.5672 11.6136 11.6136 12.5253 12.5253 12.9219 12.9219 13.1854 13.1854 14.3689 14.3689 15.4524 15.4524 15.7268 15.7268 k = 0.0898-0.0623-0.1599 ( 3190 PWs) bands (ev): -21.8657 -21.8657 -21.6286 -21.6286 -9.9072 -9.9072 -9.8808 -9.8808 -9.4249 -9.4249 -9.3505 -9.3505 -3.4566 -3.4566 -2.4119 -2.4119 -1.8823 -1.8823 -0.4001 -0.4001 0.7655 0.7655 0.8061 0.8061 0.8715 0.8715 0.9330 0.9330 3.4767 3.4767 3.5612 3.5612 4.5224 4.5224 4.6209 4.6209 9.5066 9.5066 9.5599 9.5599 10.0881 10.0881 10.5835 10.5835 11.5727 11.5727 12.4905 12.4905 13.0224 13.0224 13.2523 13.2523 14.3278 14.3278 15.4759 15.4759 15.7738 15.7738 k = 0.0973-0.0675-0.1733 ( 3196 PWs) bands (ev): -21.8631 -21.8631 -21.6307 -21.6307 -9.9076 -9.9076 -9.8763 -9.8763 -9.4394 -9.4394 -9.3533 -9.3533 -3.4458 -3.4458 -2.3777 -2.3777 -1.9069 -1.9069 -0.4009 -0.4009 0.7758 0.7758 0.8073 0.8073 0.8934 0.8934 0.9506 0.9506 3.4672 3.4672 3.5672 3.5672 4.4947 4.4947 4.6092 4.6092 9.4196 9.4196 9.5941 9.5941 9.9885 9.9885 10.6003 10.6003 11.5287 11.5287 12.4531 12.4531 13.1184 13.1184 13.3201 13.3201 14.2877 14.2877 15.5038 15.5038 15.8237 15.8237 k = 0.1048-0.0727-0.1866 ( 3198 PWs) bands (ev): -21.8605 -21.8605 -21.6329 -21.6329 -9.9080 -9.9080 -9.8715 -9.8715 -9.4545 -9.4545 -9.3563 -9.3563 -3.4342 -3.4342 -2.3414 -2.3414 -1.9326 -1.9326 -0.4022 -0.4022 0.7867 0.7867 0.8079 0.8079 0.9168 0.9168 0.9690 0.9690 3.4571 3.4571 3.5738 3.5738 4.4653 4.4653 4.5967 4.5967 9.3318 9.3318 9.6295 9.6295 9.8930 9.8930 10.6176 10.6176 11.4822 11.4822 12.4131 12.4131 13.2095 13.2095 13.3885 13.3885 14.2493 14.2493 15.5355 15.5355 15.8758 15.8758 k = 0.1123-0.0779-0.1999 ( 3194 PWs) bands (ev): -21.8576 -21.8576 -21.6353 -21.6353 -9.9084 -9.9084 -9.8662 -9.8662 -9.4703 -9.4703 -9.3595 -9.3595 -3.4217 -3.4217 -2.3034 -2.3034 -1.9591 -1.9591 -0.4041 -0.4041 0.7982 0.7982 0.8084 0.8084 0.9413 0.9413 0.9884 0.9884 3.4464 3.4464 3.5812 3.5812 4.4344 4.4344 4.5836 4.5836 9.2442 9.2442 9.6656 9.6656 9.8019 9.8019 10.6352 10.6352 11.4334 11.4334 12.3709 12.3709 13.2954 13.2954 13.4575 13.4575 14.2133 14.2133 15.5701 15.5701 15.8640 15.8640 k = 0.1198-0.0831-0.2132 ( 3184 PWs) bands (ev): -21.8546 -21.8546 -21.6378 -21.6378 -9.9089 -9.9089 -9.8604 -9.8604 -9.4867 -9.4867 -9.3629 -9.3629 -3.4084 -3.4084 -2.2637 -2.2637 -1.9864 -1.9864 -0.4067 -0.4067 0.8086 0.8086 0.8103 0.8103 0.9664 0.9664 1.0085 1.0085 3.4351 3.4351 3.5894 3.5894 4.4020 4.4020 4.5698 4.5698 9.1572 9.1572 9.7017 9.7017 9.7155 9.7155 10.6528 10.6528 11.3827 11.3827 12.3264 12.3264 13.3760 13.3760 13.5270 13.5270 14.1802 14.1802 15.6063 15.6063 15.8238 15.8238 k = 0.1273-0.0883-0.2266 ( 3184 PWs) bands (ev): -21.8514 -21.8514 -21.6404 -21.6404 -9.9095 -9.9095 -9.8542 -9.8542 -9.5036 -9.5036 -9.3665 -9.3665 -3.3942 -3.3942 -2.2225 -2.2225 -2.0144 -2.0144 -0.4101 -0.4101 0.8093 0.8093 0.8224 0.8224 0.9921 0.9921 1.0292 1.0292 3.4232 3.4232 3.5984 3.5984 4.3683 4.3683 4.5555 4.5555 9.0714 9.0714 9.6338 9.6338 9.7374 9.7374 10.6702 10.6702 11.3306 11.3306 12.2799 12.2799 13.4513 13.4513 13.5968 13.5968 14.1502 14.1502 15.6405 15.6405 15.7923 15.7923 k = 0.1348-0.0935-0.2399 ( 3182 PWs) bands (ev): -21.8481 -21.8481 -21.6432 -21.6432 -9.9101 -9.9101 -9.8475 -9.8475 -9.5210 -9.5210 -9.3702 -9.3702 -3.3793 -3.3793 -2.1800 -2.1800 -2.0428 -2.0428 -0.4145 -0.4145 0.8100 0.8100 0.8349 0.8349 1.0180 1.0180 1.0503 1.0503 3.4109 3.4109 3.6081 3.6081 4.3335 4.3335 4.5408 4.5408 8.9873 8.9873 9.5573 9.5573 9.7717 9.7717 10.6871 10.6871 11.2777 11.2777 12.2316 12.2316 13.5215 13.5215 13.6666 13.6666 14.1237 14.1237 15.6630 15.6630 15.7794 15.7794 k = 0.1422-0.0987-0.2532 ( 3180 PWs) bands (ev): -21.8447 -21.8447 -21.6461 -21.6461 -9.9108 -9.9108 -9.8404 -9.8404 -9.5386 -9.5386 -9.3742 -9.3742 -3.3635 -3.3635 -2.1363 -2.1363 -2.0716 -2.0716 -0.4198 -0.4198 0.8110 0.8110 0.8476 0.8476 1.0440 1.0440 1.0719 1.0719 3.3981 3.3981 3.6186 3.6186 4.2977 4.2977 4.5257 4.5257 8.9053 8.9053 9.4862 9.4862 9.8040 9.8040 10.7034 10.7034 11.2248 11.2248 12.1816 12.1816 13.5872 13.5872 13.7361 13.7361 14.1011 14.1011 15.6613 15.6613 15.7974 15.7974 k = 0.1497-0.1039-0.2666 ( 3180 PWs) bands (ev): -21.8411 -21.8411 -21.6491 -21.6491 -9.9116 -9.9116 -9.8328 -9.8328 -9.5566 -9.5566 -9.3784 -9.3784 -3.3469 -3.3469 -2.1007 -2.1007 -2.0916 -2.0916 -0.4262 -0.4262 0.8122 0.8122 0.8604 0.8604 1.0700 1.0700 1.0936 1.0936 3.3849 3.3849 3.6299 3.6299 4.2611 4.2611 4.5104 4.5104 8.8258 8.8258 9.4206 9.4206 9.8332 9.8332 10.7187 10.7187 11.1727 11.1727 12.1302 12.1302 13.6489 13.6489 13.8049 13.8049 14.0825 14.0825 15.6442 15.6442 15.8375 15.8375 k = 0.1572-0.1090-0.2799 ( 3184 PWs) bands (ev): -21.8374 -21.8374 -21.6523 -21.6523 -9.9124 -9.9124 -9.8247 -9.8247 -9.5747 -9.5747 -9.3827 -9.3827 -3.3294 -3.3294 -2.1299 -2.1299 -2.0461 -2.0461 -0.4338 -0.4338 0.8137 0.8137 0.8731 0.8731 1.0958 1.0958 1.1155 1.1155 3.3715 3.3715 3.6418 3.6418 4.2240 4.2240 4.4949 4.4949 8.7493 8.7493 9.3607 9.3607 9.8583 9.8583 10.7327 10.7327 11.1225 11.1225 12.0776 12.0776 13.7073 13.7073 13.8728 13.8728 14.0681 14.0681 15.6238 15.6238 15.8873 15.8873 k = 0.1647-0.1142-0.2932 ( 3186 PWs) bands (ev): -21.8337 -21.8337 -21.6555 -21.6555 -9.9134 -9.9134 -9.8161 -9.8161 -9.5929 -9.5929 -9.3873 -9.3873 -3.3112 -3.3112 -2.1592 -2.1592 -1.9999 -1.9999 -0.4427 -0.4427 0.8155 0.8155 0.8856 0.8856 1.1214 1.1214 1.1373 1.1373 3.3579 3.3579 3.6542 3.6542 4.1867 4.1867 4.4794 4.4794 8.6760 8.6760 9.3068 9.3068 9.8780 9.8780 10.7450 10.7450 11.0754 11.0754 12.0242 12.0242 13.7629 13.7629 13.9395 13.9395 14.0582 14.0582 15.6048 15.6048 15.9421 15.9422 k = 0.1722-0.1194-0.3065 ( 3186 PWs) bands (ev): -21.8298 -21.8298 -21.6588 -21.6588 -9.9143 -9.9143 -9.8071 -9.8071 -9.6112 -9.6112 -9.3920 -9.3920 -3.2922 -3.2922 -2.1885 -2.1885 -1.9532 -1.9532 -0.4529 -0.4529 0.8176 0.8176 0.8977 0.8977 1.1466 1.1466 1.1589 1.1589 3.3443 3.3443 3.6669 3.6669 4.1494 4.1494 4.4639 4.4639 8.6063 8.6063 9.2588 9.2588 9.8910 9.8910 10.7552 10.7552 11.0328 11.0328 11.9701 11.9701 13.8162 13.8162 14.0048 14.0048 14.0529 14.0529 15.5886 15.5886 16.0004 16.0004 k = 0.1797-0.1246-0.3199 ( 3190 PWs) bands (ev): -21.8258 -21.8258 -21.6623 -21.6623 -9.9154 -9.9154 -9.7977 -9.7977 -9.6293 -9.6293 -9.3968 -9.3968 -3.2724 -3.2724 -2.2177 -2.2177 -1.9063 -1.9063 -0.4646 -0.4646 0.8201 0.8201 0.9094 0.9094 1.1712 1.1712 1.1803 1.1803 3.3308 3.3308 3.6796 3.6796 4.1128 4.1128 4.4487 4.4487 8.5405 8.5405 9.2169 9.2169 9.8960 9.8960 10.7627 10.7627 10.9962 10.9962 11.9158 11.9158 13.8677 13.8677 14.0509 14.0509 14.0701 14.0701 15.5759 15.5759 16.0613 16.0613 k = 0.1872-0.1298-0.3332 ( 3192 PWs) bands (ev): -21.8218 -21.8218 -21.6658 -21.6658 -9.9165 -9.9165 -9.7879 -9.7879 -9.6473 -9.6473 -9.4018 -9.4018 -3.2519 -3.2519 -2.2467 -2.2467 -1.8591 -1.8591 -0.4778 -0.4778 0.8229 0.8229 0.9205 0.9205 1.1954 1.1954 1.2012 1.2012 3.3175 3.3175 3.6916 3.6916 4.0774 4.0774 4.4338 4.4338 8.4789 8.4789 9.1813 9.1813 9.8919 9.8919 10.7665 10.7665 10.9671 10.9671 11.8616 11.8616 13.9177 13.9177 14.0553 14.0553 14.1326 14.1326 15.5670 15.5670 16.1245 16.1245 k = 0.1946-0.1350-0.3465 ( 3198 PWs) bands (ev): -21.8176 -21.8176 -21.6694 -21.6694 -9.9178 -9.9178 -9.7778 -9.7778 -9.6648 -9.6648 -9.4070 -9.4070 -3.2306 -3.2306 -2.2755 -2.2755 -1.8120 -1.8120 -0.4926 -0.4926 0.8260 0.8260 0.9307 0.9307 1.2189 1.2189 1.2217 1.2217 3.3046 3.3046 3.7022 3.7022 4.0442 4.0442 4.4193 4.4193 8.4218 8.4218 9.1521 9.1521 9.8779 9.8779 10.7659 10.7659 10.9468 10.9468 11.8078 11.8078 13.9666 13.9666 14.0640 14.0640 14.1945 14.1945 15.5618 15.5618 16.1897 16.1897 k = 0.2021-0.1402-0.3598 ( 3202 PWs) bands (ev): -21.8134 -21.8134 -21.6731 -21.6731 -9.9191 -9.9191 -9.7677 -9.7677 -9.6817 -9.6817 -9.4122 -9.4122 -3.2086 -3.2086 -2.3039 -2.3039 -1.7650 -1.7650 -0.5090 -0.5090 0.8293 0.8293 0.9400 0.9400 1.2409 1.2409 1.2423 1.2423 3.2922 3.2922 3.7102 3.7102 4.0147 4.0147 4.4053 4.4053 8.3693 8.3693 9.1292 9.1292 9.8538 9.8538 10.7602 10.7602 10.9357 10.9357 11.7548 11.7548 14.0147 14.0147 14.0773 14.0773 14.2555 14.2555 15.5606 15.5606 16.2563 16.2563 k = 0.2096-0.1454-0.3732 ( 3198 PWs) bands (ev): -21.8092 -21.8092 -21.6768 -21.6768 -9.9204 -9.9204 -9.7584 -9.7584 -9.6971 -9.6971 -9.4176 -9.4176 -3.1858 -3.1858 -2.3320 -2.3320 -1.7184 -1.7184 -0.5270 -0.5270 0.8330 0.8330 0.9481 0.9481 1.2603 1.2603 1.2642 1.2642 3.2805 3.2805 3.7136 3.7136 3.9906 3.9906 4.3920 4.3920 8.3217 8.3217 9.1127 9.1127 9.8198 9.8198 10.7496 10.7496 10.9331 10.9331 11.7031 11.7031 14.0622 14.0622 14.0955 14.0955 14.3159 14.3159 15.5633 15.5633 16.2767 16.2767 k = 0.2171-0.1506-0.3865 ( 3186 PWs) bands (ev): -21.8049 -21.8049 -21.6806 -21.6806 -9.9219 -9.9219 -9.7520 -9.7520 -9.7087 -9.7087 -9.4232 -9.4232 -3.1624 -3.1624 -2.3596 -2.3596 -1.6721 -1.6721 -0.5468 -0.5468 0.8369 0.8369 0.9549 0.9549 1.2786 1.2786 1.2857 1.2857 3.2696 3.2696 3.7105 3.7105 3.9743 3.9743 4.3794 4.3794 8.2793 8.2793 9.1026 9.1026 9.7766 9.7766 10.7345 10.7345 10.9373 10.9373 11.6531 11.6531 14.1095 14.1095 14.1185 14.1185 14.3756 14.3756 15.5697 15.5697 16.2481 16.2481 k = 0.2246-0.1558-0.3998 ( 3182 PWs) bands (ev): -21.8006 -21.8006 -21.6844 -21.6844 -9.9234 -9.9234 -9.7538 -9.7538 -9.7114 -9.7114 -9.4288 -9.4288 -3.1383 -3.1383 -2.3868 -2.3868 -1.6264 -1.6264 -0.5684 -0.5684 0.8410 0.8410 0.9602 0.9602 1.2961 1.2961 1.3064 1.3064 3.2597 3.2597 3.6995 3.6995 3.9671 3.9671 4.3676 4.3676 8.2421 8.2421 9.0991 9.0991 9.7252 9.7252 10.7156 10.7156 10.9466 10.9466 11.6051 11.6051 14.1459 14.1459 14.1570 14.1570 14.4347 14.4347 15.5799 15.5799 16.2096 16.2096 k = 0.2321-0.1610-0.4132 ( 3180 PWs) bands (ev): -21.7963 -21.7963 -21.6883 -21.6883 -9.9250 -9.9250 -9.7642 -9.7642 -9.7046 -9.7046 -9.4345 -9.4345 -3.1135 -3.1135 -2.4134 -2.4134 -1.5814 -1.5814 -0.5917 -0.5917 0.8453 0.8453 0.9639 0.9639 1.3126 1.3126 1.3264 1.3264 3.2509 3.2509 3.6806 3.6806 3.9691 3.9691 4.3566 4.3566 8.2103 8.2103 9.1019 9.1019 9.6670 9.6670 10.6927 10.6927 10.9593 10.9593 11.5594 11.5594 14.1782 14.1782 14.2044 14.2044 14.4936 14.4936 15.5936 15.5936 16.1614 16.1614 k = 0.2396-0.1662-0.4265 ( 3184 PWs) bands (ev): -21.7919 -21.7919 -21.6922 -21.6922 -9.9267 -9.9267 -9.7781 -9.7781 -9.6935 -9.6935 -9.4403 -9.4403 -3.0882 -3.0882 -2.4396 -2.4396 -1.5373 -1.5373 -0.6167 -0.6167 0.8496 0.8496 0.9659 0.9659 1.3283 1.3283 1.3455 1.3455 3.2434 3.2434 3.6553 3.6553 3.9788 3.9788 4.3466 4.3466 8.1841 8.1841 9.1112 9.1112 9.6031 9.6031 10.6658 10.6658 10.9744 10.9744 11.5164 11.5164 14.2149 14.2149 14.2522 14.2522 14.5521 14.5521 15.6108 15.6108 16.1034 16.1034 k = 0.2470-0.1714-0.4398 ( 3180 PWs) bands (ev): -21.7876 -21.7876 -21.6962 -21.6962 -9.9285 -9.9285 -9.7928 -9.7928 -9.6806 -9.6806 -9.4461 -9.4461 -3.0623 -3.0623 -2.4651 -2.4651 -1.4940 -1.4940 -0.6435 -0.6435 0.8541 0.8541 0.9659 0.9659 1.3430 1.3430 1.3639 1.3639 3.2373 3.2373 3.6256 3.6256 3.9944 3.9944 4.3375 4.3375 8.1636 8.1636 9.1269 9.1269 9.5347 9.5347 10.6348 10.6348 10.9909 10.9909 11.4761 11.4761 14.2560 14.2560 14.3007 14.3007 14.6106 14.6106 15.6311 15.6311 16.0357 16.0357 k = 0.2545-0.1766-0.4531 ( 3182 PWs) bands (ev): -21.7832 -21.7832 -21.7001 -21.7001 -9.9303 -9.9303 -9.8077 -9.8077 -9.6668 -9.6668 -9.4520 -9.4520 -3.0358 -3.0358 -2.4900 -2.4900 -1.4518 -1.4518 -0.6719 -0.6719 0.8585 0.8585 0.9640 0.9640 1.3568 1.3568 1.3816 1.3816 3.2326 3.2326 3.5932 3.5932 4.0143 4.0143 4.3293 4.3293 8.1489 8.1489 9.1488 9.1488 9.4626 9.4626 10.5997 10.5997 11.0080 11.0080 11.4386 11.4386 14.3013 14.3013 14.3499 14.3499 14.6689 14.6689 15.6546 15.6546 15.9581 15.9581 k = 0.2620-0.1817-0.4665 ( 3182 PWs) bands (ev): -21.7789 -21.7789 -21.7041 -21.7041 -9.9322 -9.9322 -9.8223 -9.8223 -9.6523 -9.6523 -9.4580 -9.4580 -3.0088 -3.0088 -2.5143 -2.5143 -1.4106 -1.4106 -0.7020 -0.7020 0.8628 0.8628 0.9600 0.9600 1.3698 1.3698 1.3984 1.3984 3.2295 3.2295 3.5594 3.5594 4.0373 4.0373 4.3220 4.3220 8.1402 8.1402 9.1769 9.1769 9.3879 9.3879 10.5606 10.5606 11.0251 11.0251 11.4040 11.4040 14.3506 14.3506 14.4000 14.4000 14.7272 14.7272 15.6809 15.6809 15.8708 15.8708 k = 0.2695-0.1869-0.4798 ( 3180 PWs) bands (ev): -21.7746 -21.7746 -21.7080 -21.7080 -9.9341 -9.9341 -9.8366 -9.8366 -9.6372 -9.6372 -9.4639 -9.4639 -2.9813 -2.9813 -2.5379 -2.5379 -1.3706 -1.3706 -0.7336 -0.7336 0.8669 0.8669 0.9540 0.9540 1.3819 1.3819 1.4146 1.4146 3.2280 3.2280 3.5248 3.5248 4.0626 4.0626 4.3157 4.3157 8.1374 8.1374 9.2112 9.2112 9.3111 9.3111 10.5177 10.5177 11.0419 11.0419 11.3719 11.3719 14.4035 14.4035 14.4511 14.4511 14.7855 14.7855 15.7097 15.7097 15.7742 15.7742 k = 0.2770-0.1921-0.4931 ( 3180 PWs) bands (ev): -21.7703 -21.7703 -21.7120 -21.7120 -9.9361 -9.9361 -9.8505 -9.8505 -9.6218 -9.6218 -9.4699 -9.4699 -2.9534 -2.9534 -2.5608 -2.5608 -1.3319 -1.3319 -0.7667 -0.7667 0.8708 0.8708 0.9459 0.9459 1.3931 1.3931 1.4300 1.4300 3.2281 3.2281 3.4903 3.4903 4.0896 4.0896 4.3103 4.3103 8.1406 8.1406 9.2324 9.2324 9.2520 9.2520 10.4714 10.4714 11.0580 11.0580 11.3423 11.3423 14.4598 14.4598 14.5034 14.5034 14.8435 14.8435 15.6684 15.6684 15.7413 15.7413 k = 0.2845-0.1973-0.5065 ( 3182 PWs) bands (ev): -21.7661 -21.7661 -21.7159 -21.7159 -9.9381 -9.9381 -9.8639 -9.8639 -9.6060 -9.6060 -9.4759 -9.4759 -2.9251 -2.9251 -2.5830 -2.5830 -1.2945 -1.2945 -0.8012 -0.8012 0.8743 0.8743 0.9357 0.9357 1.4037 1.4037 1.4447 1.4447 3.2297 3.2297 3.4562 3.4562 4.1179 4.1179 4.3057 4.3057 8.1500 8.1500 9.1537 9.1537 9.2979 9.2979 10.4221 10.4221 11.0730 11.0730 11.3147 11.3147 14.5192 14.5192 14.5569 14.5569 14.9010 14.9010 15.5547 15.5547 15.7745 15.7745 k = 0.2920-0.2025-0.5198 ( 3184 PWs) bands (ev): -21.7620 -21.7620 -21.7198 -21.7198 -9.9402 -9.9402 -9.8768 -9.8768 -9.5898 -9.5898 -9.4819 -9.4819 -2.8966 -2.8966 -2.6045 -2.6045 -1.2585 -1.2585 -0.8369 -0.8369 0.8775 0.8775 0.9235 0.9235 1.4135 1.4135 1.4587 1.4587 3.2329 3.2329 3.4229 3.4229 4.1472 4.1472 4.3020 4.3020 8.1654 8.1654 9.0742 9.0742 9.3499 9.3499 10.3704 10.3704 11.0867 11.0867 11.2891 11.2891 14.5813 14.5813 14.6116 14.6116 14.9574 14.9574 15.4338 15.4338 15.8096 15.8096 k = 0.2995-0.2077-0.5331 ( 3186 PWs) bands (ev): -21.7579 -21.7579 -21.7237 -21.7237 -9.9423 -9.9423 -9.8891 -9.8891 -9.5735 -9.5735 -9.4878 -9.4878 -2.8677 -2.8677 -2.6252 -2.6252 -1.2240 -1.2240 -0.8736 -0.8736 0.8801 0.8801 0.9094 0.9094 1.4227 1.4227 1.4720 1.4720 3.2374 3.2374 3.3906 3.3906 4.1773 4.1773 4.2989 4.2989 8.1869 8.1869 8.9946 8.9946 9.4075 9.4075 10.3166 10.3166 11.0992 11.0992 11.2651 11.2651 14.6457 14.6457 14.6675 14.6675 15.0106 15.0106 15.3078 15.3078 15.8462 15.8462 k = 0.3069-0.2129-0.5464 ( 3192 PWs) bands (ev): -21.7539 -21.7539 -21.7275 -21.7275 -9.9444 -9.9444 -9.9009 -9.9009 -9.5570 -9.5570 -9.4937 -9.4937 -2.8387 -2.8387 -2.6452 -2.6452 -1.1909 -1.1909 -0.9113 -0.9113 0.8822 0.8822 0.8936 0.8936 1.4313 1.4313 1.4847 1.4847 3.2433 3.2433 3.3597 3.3597 4.2078 4.2078 4.2966 4.2966 8.2144 8.2144 8.9154 8.9154 9.4706 9.4706 10.2613 10.2613 11.1101 11.1101 11.2425 11.2425 14.7121 14.7121 14.7246 14.7246 15.0506 15.0506 15.1869 15.1869 15.8840 15.8840 k = 0.3144-0.2181-0.5598 ( 3200 PWs) bands (ev): -21.7499 -21.7499 -21.7312 -21.7312 -9.9466 -9.9466 -9.9121 -9.9121 -9.5403 -9.5403 -9.4995 -9.4995 -2.8096 -2.8096 -2.6644 -2.6644 -1.1593 -1.1593 -0.9497 -0.9497 0.8761 0.8761 0.8837 0.8837 1.4394 1.4394 1.4968 1.4968 3.2505 3.2505 3.3301 3.3301 4.2388 4.2388 4.2948 4.2948 8.2480 8.2480 8.8368 8.8368 9.5390 9.5390 10.2049 10.2049 11.1196 11.1196 11.2212 11.2212 14.7796 14.7796 14.7823 14.7823 14.9999 14.9999 15.1480 15.1480 15.8565 15.8565 k = 0.3219-0.2233-0.5731 ( 3196 PWs) bands (ev): -21.7461 -21.7461 -21.7349 -21.7349 -9.9487 -9.9487 -9.9227 -9.9227 -9.5235 -9.5235 -9.5053 -9.5053 -2.7805 -2.7805 -2.6828 -2.6828 -1.1293 -1.1293 -0.9886 -0.9886 0.8573 0.8573 0.8844 0.8844 1.4470 1.4470 1.5083 1.5083 3.2586 3.2586 3.3022 3.3022 4.2698 4.2698 4.2937 4.2937 8.2876 8.2876 8.7591 8.7591 9.6125 9.6125 10.1479 10.1479 11.1276 11.1276 11.2012 11.2012 14.8262 14.8262 14.8490 14.8490 14.8807 14.8807 15.1795 15.1795 15.7750 15.7750 k = 0.3294-0.2285-0.5864 ( 3192 PWs) bands (ev): -21.7423 -21.7423 -21.7385 -21.7385 -9.9509 -9.9509 -9.9328 -9.9328 -9.5109 -9.5109 -9.5068 -9.5068 -2.7517 -2.7517 -2.7000 -2.7000 -1.1011 -1.1011 -1.0276 -1.0276 0.8373 0.8373 0.8843 0.8843 1.4542 1.4542 1.5193 1.5193 3.2675 3.2675 3.2762 3.2762 4.2927 4.2927 4.3013 4.3013 8.3331 8.3331 8.6826 8.6826 9.6910 9.6910 10.0906 10.0906 11.1337 11.1337 11.1825 11.1825 14.7107 14.7107 14.9079 14.9079 14.9190 14.9190 15.2068 15.2068 15.7055 15.7055 k = 0.3369-0.2337-0.5997 ( 3194 PWs) bands (ev): -21.7420 -21.7420 -21.7387 -21.7387 -9.9530 -9.9530 -9.9424 -9.9424 -9.5165 -9.5165 -9.4901 -9.4901 -2.7271 -2.7271 -2.7124 -2.7124 -1.0797 -1.0797 -1.0618 -1.0618 0.8162 0.8162 0.8834 0.8834 1.4610 1.4610 1.5297 1.5297 3.2515 3.2515 3.2777 3.2777 4.2926 4.2926 4.3322 4.3322 8.3845 8.3845 8.6074 8.6074 9.7741 9.7741 10.0333 10.0333 11.1369 11.1369 11.1663 11.1663 14.5587 14.5587 14.9652 14.9652 14.9888 14.9888 15.2130 15.2130 15.6593 15.6593 k = 0.3444-0.2389-0.6131 ( 3198 PWs) bands (ev): -21.7455 -21.7455 -21.7352 -21.7352 -9.9552 -9.9552 -9.9514 -9.9514 -9.5219 -9.5219 -9.4734 -9.4734 -2.7355 -2.7355 -2.6913 -2.6913 -1.1094 -1.1094 -1.0463 -1.0463 0.7944 0.7944 0.8817 0.8817 1.4674 1.4674 1.5396 1.5396 3.2290 3.2290 3.2880 3.2880 4.2926 4.2926 4.3629 4.3629 8.4416 8.4416 8.5340 8.5340 9.8618 9.8618 9.9764 9.9764 11.1332 11.1332 11.1565 11.1565 14.4018 14.4018 15.0161 15.0161 15.0584 15.0584 15.1933 15.1933 15.6463 15.6463 k = 0.3519-0.2441-0.6264 ( 3192 PWs) bands (ev): -21.7488 -21.7488 -21.7317 -21.7317 -9.9598 -9.9598 -9.9573 -9.9573 -9.5271 -9.5271 -9.4570 -9.4570 -2.7503 -2.7503 -2.6631 -2.6631 -1.1484 -1.1484 -1.0229 -1.0229 0.7720 0.7720 0.8792 0.8792 1.4735 1.4735 1.5490 1.5490 3.2084 3.2084 3.2989 3.2989 4.2930 4.2930 4.3933 4.3933 8.4624 8.4624 8.5042 8.5042 9.9203 9.9203 9.9538 9.9538 11.1207 11.1207 11.1552 11.1552 14.2419 14.2419 15.0314 15.0314 15.1275 15.1275 15.1778 15.1778 15.6649 15.6649 k = 0.3593-0.2492-0.6397 ( 3192 PWs) bands (ev): -21.7520 -21.7520 -21.7285 -21.7285 -9.9677 -9.9677 -9.9593 -9.9593 -9.5323 -9.5323 -9.4408 -9.4408 -2.7648 -2.7648 -2.6349 -2.6349 -1.1874 -1.1874 -1.0006 -1.0006 0.7493 0.7493 0.8758 0.8758 1.4793 1.4793 1.5579 1.5579 3.1897 3.1897 3.3100 3.3100 4.2935 4.2935 4.4232 4.4232 8.3928 8.3928 8.5724 8.5724 9.8651 9.8651 10.0499 10.0499 11.1055 11.1055 11.1563 11.1563 14.0798 14.0798 14.9753 14.9753 15.1953 15.1953 15.2122 15.2122 15.7045 15.7045 k = 0.3668-0.2544-0.6531 ( 3190 PWs) bands (ev): -21.7551 -21.7551 -21.7253 -21.7253 -9.9751 -9.9751 -9.9614 -9.9614 -9.5372 -9.5372 -9.4248 -9.4248 -2.7787 -2.7787 -2.6071 -2.6071 -1.2259 -1.2259 -0.9797 -0.9797 0.7265 0.7265 0.8715 0.8715 1.4848 1.4848 1.5663 1.5663 3.1730 3.1730 3.3212 3.3212 4.2943 4.2943 4.4524 4.4524 8.3255 8.3255 8.6458 8.6458 9.8111 9.8111 10.1497 10.1497 11.0900 11.0900 11.1574 11.1574 13.9162 13.9162 14.8815 14.8815 15.2618 15.2618 15.2717 15.2717 15.7560 15.7560 k = 0.6332 0.0073-0.4742 ( 3190 PWs) bands (ev): -21.7551 -21.7551 -21.7253 -21.7253 -9.9751 -9.9751 -9.9613 -9.9613 -9.5371 -9.5371 -9.4249 -9.4249 -2.7787 -2.7787 -2.6071 -2.6071 -1.2259 -1.2259 -0.9797 -0.9797 0.7265 0.7265 0.8715 0.8715 1.4849 1.4849 1.5663 1.5663 3.1729 3.1729 3.3214 3.3214 4.2944 4.2944 4.4523 4.4523 8.3256 8.3256 8.6458 8.6458 9.8112 9.8112 10.1497 10.1497 11.0900 11.0900 11.1574 11.1574 13.9161 13.9161 14.8815 14.8815 15.2618 15.2618 15.2717 15.2717 15.7560 15.7560 k = 0.6258 0.0214-0.4742 ( 3184 PWs) bands (ev): -21.7581 -21.7581 -21.7223 -21.7223 -9.9819 -9.9819 -9.9632 -9.9632 -9.5418 -9.5418 -9.4096 -9.4096 -2.7916 -2.7916 -2.5802 -2.5802 -1.2632 -1.2632 -0.9605 -0.9605 0.7041 0.7041 0.8665 0.8665 1.4901 1.4901 1.5742 1.5742 3.1582 3.1582 3.3325 3.3325 4.2953 4.2953 4.4803 4.4803 8.2615 8.2615 8.7234 8.7234 9.7593 9.7593 10.2519 10.2519 11.0750 11.0750 11.1582 11.1582 13.7535 13.7535 14.7740 14.7740 15.3264 15.3264 15.3372 15.3372 15.8135 15.8135 k = 0.6184 0.0355-0.4742 ( 3186 PWs) bands (ev): -21.7609 -21.7609 -21.7195 -21.7195 -9.9882 -9.9882 -9.9651 -9.9651 -9.5464 -9.5464 -9.3946 -9.3946 -2.8038 -2.8038 -2.5539 -2.5539 -1.2996 -1.2996 -0.9428 -0.9428 0.6821 0.6821 0.8609 0.8609 1.4950 1.4950 1.5817 1.5817 3.1453 3.1453 3.3434 3.3434 4.2963 4.2963 4.5075 4.5075 8.2000 8.2000 8.8058 8.8058 9.7091 9.7091 10.3573 10.3573 11.0606 11.0606 11.1584 11.1584 13.5905 13.5905 14.6587 14.6587 15.3889 15.3889 15.4056 15.4056 15.8746 15.8746 k = 0.6110 0.0497-0.4742 ( 3188 PWs) bands (ev): -21.7636 -21.7636 -21.7168 -21.7168 -9.9940 -9.9940 -9.9669 -9.9669 -9.5507 -9.5507 -9.3802 -9.3802 -2.8152 -2.8152 -2.5283 -2.5283 -1.3349 -1.3349 -0.9264 -0.9264 0.6605 0.6605 0.8546 0.8546 1.4996 1.4996 1.5888 1.5888 3.1341 3.1341 3.3541 3.3541 4.2973 4.2973 4.5338 4.5338 8.1413 8.1413 8.8927 8.8927 9.6607 9.6607 10.4656 10.4656 11.0467 11.0467 11.1581 11.1581 13.4276 13.4276 14.5384 14.5384 15.4488 15.4488 15.4758 15.4758 15.9376 15.9376 k = 0.6036 0.0638-0.4742 ( 3188 PWs) bands (ev): -21.7661 -21.7661 -21.7142 -21.7142 -9.9993 -9.9993 -9.9687 -9.9687 -9.5548 -9.5548 -9.3663 -9.3663 -2.8260 -2.8260 -2.5037 -2.5037 -1.3688 -1.3688 -0.9114 -0.9114 0.6397 0.6397 0.8478 0.8478 1.5040 1.5040 1.5954 1.5954 3.1246 3.1246 3.3645 3.3645 4.2984 4.2984 4.5589 4.5589 8.0855 8.0855 8.9840 8.9840 9.6144 9.6144 10.5765 10.5765 11.0335 11.0335 11.1575 11.1575 13.2654 13.2654 14.4144 14.4144 15.5059 15.5059 15.5470 15.5470 16.0012 16.0012 k = 0.5962 0.0779-0.4742 ( 3194 PWs) bands (ev): -21.7685 -21.7685 -21.7118 -21.7118 -10.0042 -10.0042 -9.9704 -9.9704 -9.5587 -9.5587 -9.3530 -9.3530 -2.8359 -2.8359 -2.4800 -2.4800 -1.4013 -1.4013 -0.8978 -0.8978 0.6196 0.6196 0.8405 0.8405 1.5081 1.5081 1.6016 1.6016 3.1165 3.1165 3.3745 3.3745 4.2995 4.2995 4.5827 4.5827 8.0328 8.0328 9.0793 9.0793 9.5704 9.5704 10.6896 10.6896 11.0211 11.0211 11.1564 11.1564 13.1043 13.1043 14.2877 14.2877 15.5600 15.5600 15.6184 15.6184 16.0644 16.0644 k = 0.5888 0.0921-0.4742 ( 3198 PWs) bands (ev): -21.7708 -21.7708 -21.7096 -21.7096 -10.0087 -10.0087 -9.9719 -9.9719 -9.5623 -9.5623 -9.3404 -9.3404 -2.8451 -2.8451 -2.4575 -2.4575 -1.4320 -1.4320 -0.8854 -0.8854 0.6006 0.6006 0.8330 0.8330 1.5120 1.5120 1.6074 1.6074 3.1099 3.1099 3.3839 3.3839 4.3005 4.3005 4.6053 4.6053 7.9833 7.9833 9.1783 9.1783 9.5288 9.5288 10.8044 10.8044 11.0094 11.0094 11.1552 11.1552 12.9451 12.9451 14.1589 14.1589 15.6109 15.6109 15.6898 15.6898 16.1264 16.1264 k = 0.5814 0.1062-0.4742 ( 3206 PWs) bands (ev): -21.7729 -21.7729 -21.7075 -21.7075 -10.0127 -10.0127 -9.9734 -9.9734 -9.5657 -9.5657 -9.3285 -9.3285 -2.8536 -2.8536 -2.4363 -2.4363 -1.4610 -1.4610 -0.8743 -0.8743 0.5827 0.5827 0.8254 0.8254 1.5156 1.5156 1.6128 1.6128 3.1045 3.1045 3.3928 3.3928 4.3015 4.3015 4.6264 4.6264 7.9372 7.9372 9.2805 9.2805 9.4898 9.4898 10.9203 10.9203 10.9985 10.9985 11.1537 11.1537 12.7886 12.7886 14.0285 14.0285 15.6583 15.6583 15.7605 15.7605 16.1861 16.1861 k = 0.5740 0.1203-0.4742 ( 3206 PWs) bands (ev): -21.7748 -21.7748 -21.7056 -21.7056 -10.0163 -10.0163 -9.9748 -9.9748 -9.5688 -9.5688 -9.3175 -9.3175 -2.8613 -2.8613 -2.4163 -2.4163 -1.4879 -1.4879 -0.8644 -0.8644 0.5661 0.5661 0.8177 0.8177 1.5189 1.5189 1.6177 1.6177 3.1003 3.1003 3.4010 3.4010 4.3025 4.3025 4.6460 4.6460 7.8946 7.8946 9.3856 9.3856 9.4536 9.4536 10.9881 10.9881 11.0368 11.0368 11.1522 11.1522 12.6359 12.6359 13.8970 13.8970 15.7021 15.7021 15.8300 15.8300 16.2425 16.2425 k = 0.5666 0.1345-0.4742 ( 3200 PWs) bands (ev): -21.7765 -21.7765 -21.7039 -21.7039 -10.0196 -10.0196 -9.9761 -9.9761 -9.5717 -9.5717 -9.3073 -9.3073 -2.8683 -2.8683 -2.3979 -2.3979 -1.5127 -1.5127 -0.8556 -0.8556 0.5507 0.5507 0.8102 0.8102 1.5220 1.5220 1.6223 1.6223 3.0970 3.0970 3.4086 3.4086 4.3035 4.3035 4.6641 4.6641 7.8557 7.8557 9.4203 9.4203 9.4930 9.4930 10.9790 10.9790 11.1502 11.1502 11.1523 11.1523 12.4885 12.4885 13.7648 13.7648 15.7422 15.7422 15.8978 15.8978 16.2944 16.2944 k = 0.5592 0.1486-0.4742 ( 3206 PWs) bands (ev): -21.7781 -21.7781 -21.7023 -21.7023 -10.0224 -10.0224 -9.9772 -9.9772 -9.5743 -9.5743 -9.2980 -9.2980 -2.8746 -2.8746 -2.3811 -2.3811 -1.5353 -1.5353 -0.8480 -0.8480 0.5368 0.5368 0.8030 0.8030 1.5247 1.5247 1.6263 1.6263 3.0945 3.0945 3.4154 3.4154 4.3043 4.3043 4.6804 4.6804 7.8205 7.8205 9.3901 9.3901 9.6017 9.6017 10.9706 10.9706 11.1490 11.1490 11.2638 11.2638 12.3492 12.3492 13.6323 13.6323 15.7783 15.7783 15.9632 15.9632 16.3405 16.3405 k = 0.5518 0.1627-0.4742 ( 3202 PWs) bands (ev): -21.7795 -21.7795 -21.7010 -21.7010 -10.0249 -10.0249 -9.9782 -9.9782 -9.5766 -9.5766 -9.2897 -9.2897 -2.8801 -2.8801 -2.3659 -2.3659 -1.5555 -1.5555 -0.8413 -0.8413 0.5244 0.5244 0.7963 0.7963 1.5271 1.5271 1.6299 1.6299 3.0927 3.0927 3.4216 3.4216 4.3051 4.3051 4.6950 4.6950 7.7893 7.7893 9.3632 9.3632 9.7109 9.7109 10.9632 10.9632 11.1475 11.1475 11.3681 11.3681 12.2226 12.2226 13.5000 13.5000 15.8104 15.8104 16.0254 16.0254 16.3797 16.3797 k = 0.5444 0.1769-0.4742 ( 3198 PWs) bands (ev): -21.7807 -21.7807 -21.6998 -21.6998 -10.0270 -10.0270 -9.9791 -9.9791 -9.5786 -9.5786 -9.2824 -9.2824 -2.8848 -2.8848 -2.3526 -2.3526 -1.5732 -1.5732 -0.8357 -0.8357 0.5136 0.5136 0.7901 0.7901 1.5293 1.5293 1.6331 1.6331 3.0915 3.0915 3.4269 3.4269 4.3057 4.3057 4.7078 4.7078 7.7620 7.7620 9.3395 9.3395 9.8192 9.8192 10.9567 10.9567 11.1461 11.1461 11.4562 11.4562 12.1184 12.1184 13.3688 13.3688 15.8384 15.8384 16.0838 16.0838 16.4108 16.4108 k = 0.5370 0.1910-0.4742 ( 3204 PWs) bands (ev): -21.7818 -21.7818 -21.6987 -21.6987 -10.0288 -10.0288 -9.9799 -9.9799 -9.5803 -9.5803 -9.2762 -9.2762 -2.8889 -2.8889 -2.3411 -2.3411 -1.5884 -1.5884 -0.8311 -0.8311 0.5043 0.5043 0.7847 0.7847 1.5311 1.5311 1.6358 1.6358 3.0907 3.0907 3.4314 3.4314 4.3063 4.3063 4.7187 4.7187 7.7387 7.7387 9.3193 9.3193 9.9245 9.9245 10.9512 10.9512 11.1448 11.1448 11.5114 11.5114 12.0540 12.0540 13.2395 13.2395 15.8621 15.8621 16.1374 16.1374 16.4336 16.4336 k = 0.5296 0.2052-0.4742 ( 3202 PWs) bands (ev): -21.7826 -21.7826 -21.6979 -21.6979 -10.0303 -10.0303 -9.9805 -9.9805 -9.5817 -9.5817 -9.2710 -9.2710 -2.8921 -2.8921 -2.3316 -2.3316 -1.6009 -1.6009 -0.8273 -0.8273 0.4967 0.4967 0.7800 0.7800 1.5326 1.5326 1.6380 1.6380 3.0902 3.0902 3.4352 3.4352 4.3068 4.3068 4.7277 4.7277 7.7196 7.7196 9.3027 9.3027 10.0238 10.0238 10.9466 10.9466 11.1438 11.1438 11.5160 11.5160 12.0483 12.0483 13.1140 13.1140 15.8817 15.8817 16.1853 16.1853 16.4484 16.4484 k = 0.5222 0.2193-0.4742 ( 3194 PWs) bands (ev): -21.7833 -21.7833 -21.6973 -21.6973 -10.0314 -10.0314 -9.9810 -9.9810 -9.5828 -9.5828 -9.2670 -9.2670 -2.8947 -2.8947 -2.3242 -2.3242 -1.6107 -1.6107 -0.8244 -0.8244 0.4907 0.4907 0.7763 0.7763 1.5338 1.5338 1.6397 1.6397 3.0899 3.0899 3.4381 3.4381 4.3072 4.3072 4.7347 4.7347 7.7046 7.7046 9.2897 9.2897 10.1130 10.1130 10.9431 10.9431 11.1429 11.1429 11.4780 11.4780 12.0950 12.0950 12.9951 12.9951 15.8969 15.8969 16.2262 16.2262 16.4561 16.4561 k = 0.5148 0.2334-0.4742 ( 3194 PWs) bands (ev): -21.7838 -21.7838 -21.6968 -21.6968 -10.0322 -10.0322 -9.9814 -9.9814 -9.5836 -9.5836 -9.2641 -9.2641 -2.8965 -2.8965 -2.3188 -2.3188 -1.6178 -1.6178 -0.8224 -0.8224 0.4865 0.4865 0.7736 0.7736 1.5346 1.5346 1.6410 1.6410 3.0898 3.0898 3.4402 3.4402 4.3074 4.3074 4.7398 4.7398 7.6939 7.6939 9.2803 9.2803 10.1858 10.1858 10.9405 10.9405 11.1423 11.1423 11.4265 11.4265 12.1647 12.1647 12.8891 12.8891 15.9078 15.9078 16.2583 16.2583 16.4585 16.4585 k = 0.5074 0.2476-0.4742 ( 3188 PWs) bands (ev): -21.7840 -21.7840 -21.6965 -21.6965 -10.0326 -10.0326 -9.9816 -9.9816 -9.5840 -9.5840 -9.2623 -9.2623 -2.8976 -2.8976 -2.3156 -2.3156 -1.6220 -1.6220 -0.8212 -0.8212 0.4839 0.4839 0.7720 0.7720 1.5351 1.5351 1.6417 1.6417 3.0897 3.0897 3.4415 3.4415 4.3076 4.3076 4.7428 4.7428 7.6875 7.6875 9.2747 9.2747 10.2346 10.2346 10.9390 10.9390 11.1419 11.1419 11.3858 11.3858 12.2278 12.2278 12.8088 12.8088 15.9144 15.9144 16.2793 16.2793 16.4582 16.4582 k = 0.5000 0.2617-0.4742 ( 3186 PWs) bands (ev): -21.7841 -21.7841 -21.6964 -21.6964 -10.0328 -10.0328 -9.9817 -9.9817 -9.5842 -9.5842 -9.2618 -9.2618 -2.8980 -2.8980 -2.3145 -2.3145 -1.6234 -1.6234 -0.8208 -0.8208 0.4830 0.4830 0.7714 0.7714 1.5353 1.5353 1.6419 1.6419 3.0897 3.0897 3.4419 3.4419 4.3077 4.3077 4.7438 4.7438 7.6854 7.6854 9.2728 9.2728 10.2519 10.2519 10.9385 10.9385 11.1417 11.1417 11.3705 11.3705 12.2546 12.2546 12.7771 12.7771 15.9165 15.9165 16.2867 16.2867 16.4577 16.4577 k = 0.5000 0.2617-0.4742 ( 3186 PWs) bands (ev): -21.7841 -21.7841 -21.6964 -21.6964 -10.0328 -10.0328 -9.9817 -9.9817 -9.5842 -9.5842 -9.2618 -9.2618 -2.8980 -2.8980 -2.3145 -2.3145 -1.6234 -1.6234 -0.8208 -0.8208 0.4830 0.4830 0.7714 0.7714 1.5353 1.5353 1.6419 1.6419 3.0897 3.0897 3.4419 3.4419 4.3077 4.3077 4.7438 4.7438 7.6854 7.6854 9.2728 9.2728 10.2519 10.2519 10.9385 10.9385 11.1417 11.1417 11.3705 11.3705 12.2546 12.2546 12.7771 12.7771 15.9165 15.9165 16.2867 16.2867 16.4577 16.4577 k = 0.5089 0.2663-0.4622 ( 3186 PWs) bands (ev): -21.7840 -21.7840 -21.6965 -21.6965 -10.0324 -10.0324 -9.9816 -9.9816 -9.5841 -9.5841 -9.2622 -9.2622 -2.8980 -2.8980 -2.3181 -2.3181 -1.6196 -1.6196 -0.8211 -0.8211 0.4836 0.4836 0.7719 0.7719 1.5347 1.5347 1.6419 1.6419 3.0899 3.0899 3.4418 3.4418 4.3077 4.3077 4.7425 4.7425 7.6861 7.6861 9.2724 9.2724 10.2534 10.2534 10.9342 10.9342 11.1409 11.1409 11.3760 11.3760 12.2549 12.2549 12.7781 12.7781 15.9147 15.9147 16.2869 16.2869 16.4353 16.4353 k = 0.5178 0.2710-0.4503 ( 3194 PWs) bands (ev): -21.7837 -21.7837 -21.6969 -21.6969 -10.0314 -10.0314 -9.9814 -9.9814 -9.5838 -9.5838 -9.2635 -9.2635 -2.8981 -2.8981 -2.3286 -2.3286 -1.6083 -1.6083 -0.8223 -0.8223 0.4854 0.4854 0.7734 0.7734 1.5329 1.5329 1.6416 1.6416 3.0906 3.0906 3.4415 3.4415 4.3076 4.3076 4.7385 4.7385 7.6883 7.6883 9.2714 9.2714 10.2579 10.2579 10.9218 10.9218 11.1382 11.1382 11.3918 11.3918 12.2557 12.2557 12.7812 12.7812 15.9091 15.9091 16.2875 16.2875 16.3937 16.3937 k = 0.5266 0.2756-0.4384 ( 3198 PWs) bands (ev): -21.7832 -21.7832 -21.6974 -21.6974 -10.0296 -10.0296 -9.9811 -9.9811 -9.5832 -9.5832 -9.2657 -9.2657 -2.8982 -2.8982 -2.3454 -2.3454 -1.5902 -1.5902 -0.8242 -0.8242 0.4882 0.4882 0.7759 0.7759 1.5300 1.5300 1.6412 1.6412 3.0917 3.0917 3.4410 3.4410 4.3075 4.3075 4.7319 4.7319 7.6920 7.6920 9.2696 9.2696 10.2655 10.2655 10.9030 10.9030 11.1338 11.1338 11.4163 11.4163 12.2572 12.2572 12.7862 12.7862 15.8998 15.8998 16.2883 16.2883 16.3476 16.3476 k = 0.5355 0.2803-0.4265 ( 3199 PWs) bands (ev): -21.7826 -21.7826 -21.6981 -21.6981 -10.0271 -10.0271 -9.9807 -9.9807 -9.5825 -9.5825 -9.2687 -9.2687 -2.8984 -2.8984 -2.3674 -2.3674 -1.5663 -1.5663 -0.8268 -0.8268 0.4922 0.4922 0.7793 0.7793 1.5260 1.5260 1.6406 1.6406 3.0933 3.0933 3.4404 3.4404 4.3073 4.3073 4.7228 4.7228 7.6971 7.6971 9.2671 9.2671 10.2761 10.2761 10.8795 10.8795 11.1278 11.1278 11.4475 11.4475 12.2594 12.2594 12.7933 12.7933 15.8870 15.8870 16.2863 16.2863 16.3027 16.3027 k = 0.5444 0.2849-0.4145 ( 3199 PWs) bands (ev): -21.7817 -21.7817 -21.6991 -21.6991 -10.0238 -10.0238 -9.9801 -9.9801 -9.5815 -9.5815 -9.2726 -9.2726 -2.8985 -2.8985 -2.3938 -2.3938 -1.5376 -1.5376 -0.8303 -0.8303 0.4974 0.4974 0.7836 0.7836 1.5209 1.5209 1.6396 1.6396 3.0954 3.0954 3.4396 3.4396 4.3071 4.3071 4.7111 4.7111 7.7038 7.7038 9.2640 9.2640 10.2895 10.2895 10.8531 10.8531 11.1201 11.1201 11.4838 11.4838 12.2623 12.2623 12.8022 12.8022 15.8708 15.8708 16.2478 16.2478 16.2937 16.2937 k = 0.5533 0.2896-0.4026 ( 3203 PWs) bands (ev): -21.7806 -21.7806 -21.7003 -21.7003 -10.0199 -10.0199 -9.9794 -9.9794 -9.5803 -9.5803 -9.2774 -9.2774 -2.8987 -2.8987 -2.4235 -2.4235 -1.5050 -1.5050 -0.8345 -0.8345 0.5036 0.5036 0.7889 0.7889 1.5148 1.5148 1.6384 1.6384 3.0981 3.0981 3.4386 3.4386 4.3069 4.3069 4.6970 4.6970 7.7119 7.7119 9.2603 9.2603 10.3058 10.3058 10.8250 10.8250 11.1109 11.1109 11.5237 11.5237 12.2661 12.2661 12.8129 12.8129 15.8514 15.8514 16.1987 16.1987 16.2951 16.2951 k = 0.5621 0.2942-0.3907 ( 3195 PWs) bands (ev): -21.7793 -21.7793 -21.7017 -21.7017 -10.0154 -10.0154 -9.9785 -9.9785 -9.5789 -9.5789 -9.2829 -9.2829 -2.8989 -2.8989 -2.4558 -2.4558 -1.4695 -1.4695 -0.8394 -0.8394 0.5108 0.5108 0.7949 0.7949 1.5078 1.5078 1.6368 1.6368 3.1013 3.1013 3.4375 3.4375 4.3068 4.3068 4.6806 4.6806 7.7216 7.7216 9.2560 9.2560 10.3248 10.3248 10.7961 10.7961 11.1002 11.1002 11.5663 11.5663 12.2708 12.2708 12.8254 12.8254 15.8290 15.8290 16.1491 16.1491 16.2971 16.2971 k = 0.5710 0.2989-0.3788 ( 3192 PWs) bands (ev): -21.7778 -21.7778 -21.7033 -21.7033 -10.0102 -10.0102 -9.9775 -9.9775 -9.5773 -9.5773 -9.2893 -9.2893 -2.8990 -2.8990 -2.4899 -2.4899 -1.4317 -1.4317 -0.8452 -0.8452 0.5191 0.5191 0.8017 0.8017 1.4999 1.4999 1.6347 1.6347 3.1052 3.1052 3.4363 3.4363 4.3066 4.3066 4.6619 4.6619 7.7328 7.7328 9.2512 9.2512 10.3464 10.3464 10.7670 10.7670 11.0882 11.0882 11.6105 11.6105 12.2767 12.2767 12.8395 12.8395 15.8037 15.8037 16.0994 16.0994 16.2992 16.2992 k = 0.5799 0.3035-0.3668 ( 3190 PWs) bands (ev): -21.7762 -21.7762 -21.7051 -21.7051 -10.0045 -10.0045 -9.9762 -9.9762 -9.5755 -9.5755 -9.2964 -9.2964 -2.8991 -2.8991 -2.5253 -2.5253 -1.3922 -1.3922 -0.8517 -0.8517 0.5283 0.5283 0.8092 0.8092 1.4911 1.4911 1.6321 1.6321 3.1097 3.1097 3.4351 3.4351 4.3065 4.3065 4.6411 4.6411 7.7454 7.7454 9.2459 9.2459 10.3705 10.3705 10.7382 10.7382 11.0750 11.0750 11.6556 11.6556 12.2840 12.2840 12.8551 12.8551 15.7757 15.7757 16.0499 16.0499 16.3014 16.3014 k = 0.5888 0.3082-0.3549 ( 3187 PWs) bands (ev): -21.7744 -21.7744 -21.7071 -21.7071 -9.9983 -9.9983 -9.9746 -9.9746 -9.5735 -9.5735 -9.3043 -9.3043 -2.8991 -2.8991 -2.5615 -2.5615 -1.3515 -1.3515 -0.8590 -0.8590 0.5384 0.5384 0.8172 0.8172 1.4816 1.4816 1.6290 1.6290 3.1149 3.1149 3.4338 3.4338 4.3065 4.3065 4.6182 4.6182 7.7596 7.7596 9.2403 9.2403 10.3970 10.3970 10.7101 10.7101 11.0607 11.0607 11.7010 11.7010 12.2930 12.2930 12.8720 12.8720 15.7452 15.7452 16.0006 16.0006 16.3035 16.3035 k = 0.5977 0.3128-0.3430 ( 3195 PWs) bands (ev): -21.7723 -21.7723 -21.7092 -21.7092 -9.9919 -9.9919 -9.9725 -9.9725 -9.5713 -9.5713 -9.3129 -9.3129 -2.8990 -2.8990 -2.5983 -2.5983 -1.3100 -1.3100 -0.8672 -0.8672 0.5493 0.5493 0.8258 0.8258 1.4713 1.4713 1.6254 1.6254 3.1209 3.1209 3.4325 3.4325 4.3064 4.3064 4.5936 4.5936 7.7753 7.7753 9.2343 9.2343 10.4257 10.4257 10.6828 10.6828 11.0454 11.0454 11.7459 11.7459 12.3042 12.3042 12.8902 12.8902 15.7123 15.7123 15.9517 15.9517 16.3056 16.3056 k = 0.6065 0.3175-0.3310 ( 3192 PWs) bands (ev): -21.7702 -21.7702 -21.7116 -21.7116 -9.9858 -9.9858 -9.9692 -9.9692 -9.5689 -9.5689 -9.3222 -9.3222 -2.8988 -2.8988 -2.6352 -2.6352 -1.2681 -1.2681 -0.8761 -0.8761 0.5610 0.5610 0.8348 0.8348 1.4603 1.4603 1.6211 1.6211 3.1277 3.1277 3.4313 3.4313 4.3064 4.3064 4.5673 4.5673 7.7925 7.7925 9.2281 9.2281 10.4563 10.4563 10.6566 10.6566 11.0295 11.0295 11.7895 11.7895 12.3180 12.3180 12.9095 12.9095 15.6774 15.6774 15.9032 15.9032 16.3075 16.3075 k = 0.6154 0.3221-0.3191 ( 3186 PWs) bands (ev): -21.7678 -21.7678 -21.7142 -21.7142 -9.9808 -9.9808 -9.9642 -9.9642 -9.5664 -9.5664 -9.3322 -9.3322 -2.8984 -2.8984 -2.6720 -2.6720 -1.2260 -1.2260 -0.8858 -0.8858 0.5734 0.5734 0.8442 0.8442 1.4487 1.4487 1.6161 1.6161 3.1354 3.1354 3.4302 3.4302 4.3064 4.3064 4.5396 4.5396 7.8112 7.8112 9.2218 9.2218 10.4887 10.4887 10.6317 10.6317 11.0130 11.0130 11.8311 11.8311 12.3350 12.3350 12.9298 12.9298 15.6404 15.6404 15.8551 15.8551 16.3093 16.3093 k = 0.6243 0.3267-0.3072 ( 3187 PWs) bands (ev): -21.7653 -21.7653 -21.7169 -21.7169 -9.9773 -9.9773 -9.9570 -9.9570 -9.5636 -9.5636 -9.3429 -9.3429 -2.8978 -2.8978 -2.7086 -2.7086 -1.1839 -1.1839 -0.8963 -0.8963 0.5865 0.5865 0.8538 0.8538 1.4365 1.4365 1.6104 1.6104 3.1439 3.1439 3.4293 3.4293 4.3062 4.3062 4.5107 4.5107 7.8314 7.8314 9.2153 9.2153 10.5226 10.5226 10.6080 10.6080 10.9962 10.9962 11.8699 11.8699 12.3558 12.3558 12.9509 12.9509 15.6017 15.6017 15.8075 15.8075 16.3109 16.3109 k = 0.6332 0.3314-0.2953 ( 3189 PWs) bands (ev): -21.7627 -21.7627 -21.7198 -21.7198 -9.9746 -9.9746 -9.9482 -9.9482 -9.5606 -9.5606 -9.3541 -9.3541 -2.8970 -2.8970 -2.7449 -2.7449 -1.1421 -1.1421 -0.9077 -0.9077 0.6000 0.6000 0.8635 0.8635 1.4237 1.4237 1.6040 1.6040 3.1532 3.1532 3.4288 3.4288 4.3058 4.3058 4.4810 4.4810 7.8532 7.8532 9.2089 9.2089 10.5575 10.5575 10.5857 10.5857 10.9796 10.9796 11.9051 11.9051 12.3811 12.3811 12.9727 12.9727 15.5614 15.5614 15.7605 15.7605 16.3122 16.3122 k = 0.6332 0.3314-0.2953 ( 3189 PWs) bands (ev): -21.7627 -21.7627 -21.7198 -21.7198 -9.9746 -9.9746 -9.9482 -9.9482 -9.5606 -9.5606 -9.3541 -9.3541 -2.8970 -2.8970 -2.7449 -2.7449 -1.1421 -1.1421 -0.9077 -0.9077 0.6000 0.6000 0.8635 0.8635 1.4237 1.4237 1.6040 1.6040 3.1532 3.1532 3.4288 3.4288 4.3058 4.3058 4.4810 4.4810 7.8532 7.8532 9.2089 9.2089 10.5575 10.5575 10.5857 10.5857 10.9796 10.9796 11.9051 11.9051 12.3811 12.3811 12.9727 12.9727 15.5614 15.5614 15.7605 15.7605 16.3122 16.3122 k = 0.6289 0.3291-0.2800 ( 3184 PWs) bands (ev): -21.7610 -21.7610 -21.7217 -21.7217 -9.9721 -9.9721 -9.9430 -9.9430 -9.5558 -9.5558 -9.3599 -9.3599 -2.9051 -2.9051 -2.7776 -2.7776 -1.1100 -1.1100 -0.9107 -0.9107 0.6065 0.6065 0.8639 0.8639 1.4147 1.4147 1.5954 1.5954 3.1626 3.1626 3.4232 3.4232 4.3090 4.3090 4.4666 4.4666 7.9011 7.9011 9.2425 9.2425 10.5259 10.5259 10.5853 10.5853 10.9432 10.9432 11.9564 11.9564 12.4325 12.4325 12.9918 12.9918 15.4953 15.4953 15.6940 15.6940 16.2978 16.2978 k = 0.6246 0.3269-0.2647 ( 3193 PWs) bands (ev): -21.7595 -21.7595 -21.7236 -21.7236 -9.9688 -9.9688 -9.9372 -9.9372 -9.5512 -9.5512 -9.3659 -9.3659 -2.9158 -2.9158 -2.8102 -2.8102 -1.0790 -1.0790 -0.9114 -0.9114 0.6137 0.6137 0.8642 0.8642 1.4050 1.4050 1.5852 1.5852 3.1730 3.1730 3.4186 3.4186 4.3103 4.3103 4.4517 4.4517 7.9546 7.9546 9.2784 9.2784 10.4681 10.4681 10.6146 10.6146 10.9063 10.9063 12.0038 12.0038 12.4904 12.4904 13.0120 13.0120 15.4277 15.4277 15.6251 15.6251 16.2817 16.2817 k = 0.6203 0.3246-0.2494 ( 3193 PWs) bands (ev): -21.7581 -21.7581 -21.7254 -21.7254 -9.9647 -9.9647 -9.9309 -9.9309 -9.5469 -9.5469 -9.3721 -9.3721 -2.9288 -2.9288 -2.8426 -2.8426 -1.0490 -1.0490 -0.9098 -0.9098 0.6216 0.6216 0.8644 0.8644 1.3946 1.3946 1.5735 1.5735 3.1844 3.1844 3.4150 3.4150 4.3096 4.3096 4.4362 4.4362 8.0136 8.0136 9.3161 9.3161 10.4129 10.4129 10.6437 10.6437 10.8714 10.8714 12.0476 12.0476 12.5540 12.5540 13.0326 13.0326 15.3599 15.3599 15.5543 15.5543 16.2641 16.2641 k = 0.6160 0.3224-0.2341 ( 3191 PWs) bands (ev): -21.7567 -21.7567 -21.7272 -21.7272 -9.9597 -9.9597 -9.9241 -9.9241 -9.5430 -9.5430 -9.3786 -9.3786 -2.9442 -2.9442 -2.8749 -2.8749 -1.0201 -1.0201 -0.9060 -0.9060 0.6302 0.6302 0.8644 0.8644 1.3838 1.3838 1.5605 1.5605 3.1967 3.1967 3.4126 3.4126 4.3072 4.3072 4.4202 4.4202 8.0777 8.0777 9.3550 9.3550 10.3610 10.3610 10.6681 10.6681 10.8432 10.8432 12.0883 12.0883 12.6223 12.6223 13.0526 13.0526 15.2927 15.2927 15.4818 15.4818 16.2448 16.2448 k = 0.6117 0.3202-0.2188 ( 3196 PWs) bands (ev): -21.7555 -21.7555 -21.7289 -21.7289 -9.9540 -9.9540 -9.9169 -9.9169 -9.5394 -9.5394 -9.3854 -9.3854 -2.9616 -2.9616 -2.9070 -2.9070 -0.9923 -0.9923 -0.9002 -0.9002 0.6394 0.6394 0.8644 0.8644 1.3725 1.3725 1.5461 1.5461 3.2100 3.2100 3.4113 3.4113 4.3028 4.3028 4.4037 4.4037 8.1465 8.1465 9.3941 9.3941 10.3134 10.3134 10.6782 10.6782 10.8320 10.8320 12.1265 12.1265 12.6940 12.6940 13.0714 13.0714 15.2270 15.2270 15.4078 15.4078 16.2241 16.2241 k = 0.6074 0.3179-0.2035 ( 3192 PWs) bands (ev): -21.7544 -21.7544 -21.7305 -21.7305 -9.9474 -9.9474 -9.9092 -9.9092 -9.5362 -9.5362 -9.3925 -9.3925 -2.9809 -2.9809 -2.9387 -2.9387 -0.9656 -0.9656 -0.8926 -0.8926 0.6493 0.6493 0.8645 0.8645 1.3608 1.3608 1.5305 1.5305 3.2241 3.2241 3.4111 3.4111 4.2967 4.2967 4.3866 4.3866 8.2195 8.2195 9.4325 9.4325 10.2711 10.2711 10.6660 10.6660 10.8460 10.8460 12.1626 12.1626 12.7681 12.7681 13.0879 13.0879 15.1642 15.1642 15.3328 15.3328 16.2020 16.2020 k = 0.6031 0.3157-0.1882 ( 3193 PWs) bands (ev): -21.7534 -21.7534 -21.7320 -21.7320 -9.9400 -9.9400 -9.9012 -9.9012 -9.5334 -9.5334 -9.3998 -9.3998 -3.0018 -3.0018 -2.9701 -2.9701 -0.9399 -0.9399 -0.8833 -0.8833 0.6598 0.6598 0.8646 0.8646 1.3489 1.3489 1.5137 1.5137 3.2391 3.2391 3.4121 3.4121 4.2888 4.2888 4.3688 4.3688 8.2964 8.2964 9.4686 9.4686 10.2357 10.2357 10.6382 10.6382 10.8792 10.8792 12.1971 12.1971 12.8433 12.8433 13.1013 13.1013 15.1052 15.1052 15.2573 15.2573 16.1782 16.1782 k = 0.5988 0.3134-0.1729 ( 3199 PWs) bands (ev): -21.7524 -21.7524 -21.7335 -21.7335 -9.9318 -9.9318 -9.8929 -9.8929 -9.5310 -9.5310 -9.4073 -9.4073 -3.0241 -3.0241 -3.0011 -3.0011 -0.9154 -0.9154 -0.8725 -0.8725 0.6709 0.6709 0.8649 0.8649 1.3367 1.3367 1.4959 1.4959 3.2550 3.2550 3.4142 3.4142 4.2792 4.2792 4.3505 4.3505 8.3765 8.3765 9.5007 9.5007 10.2088 10.2088 10.6042 10.6042 10.9226 10.9226 12.2304 12.2304 12.9187 12.9187 13.1107 13.1107 15.0511 15.0511 15.1817 15.1817 16.1498 16.1498 k = 0.5945 0.3112-0.1576 ( 3197 PWs) bands (ev): -21.7516 -21.7516 -21.7349 -21.7349 -9.9229 -9.9229 -9.8842 -9.8842 -9.5291 -9.5291 -9.4151 -9.4151 -3.0475 -3.0475 -3.0315 -3.0315 -0.8920 -0.8920 -0.8605 -0.8605 0.6826 0.6826 0.8654 0.8654 1.3244 1.3244 1.4772 1.4772 3.2717 3.2717 3.4175 3.4175 4.2680 4.2680 4.3315 4.3315 8.4593 8.4593 9.5268 9.5268 10.1924 10.1924 10.5690 10.5690 10.9717 10.9717 12.2624 12.2624 12.9931 12.9931 13.1151 13.1151 15.0029 15.0029 15.1068 15.1068 16.0980 16.0980 k = 0.5902 0.3089-0.1423 ( 3193 PWs) bands (ev): -21.7508 -21.7508 -21.7362 -21.7362 -9.9133 -9.9133 -9.8752 -9.8752 -9.5277 -9.5277 -9.4232 -9.4232 -3.0718 -3.0718 -3.0613 -3.0613 -0.8696 -0.8696 -0.8475 -0.8475 0.6948 0.6948 0.8661 0.8661 1.3120 1.3120 1.4576 1.4576 3.2892 3.2892 3.4220 3.4220 4.2553 4.2553 4.3120 4.3120 8.5439 8.5439 9.5450 9.5450 10.1883 10.1883 10.5350 10.5350 11.0247 11.0247 12.2933 12.2933 13.0651 13.0651 13.1139 13.1139 14.9618 14.9618 15.0333 15.0333 16.0437 16.0437 k = 0.5859 0.3067-0.1270 ( 3191 PWs) bands (ev): -21.7502 -21.7502 -21.7374 -21.7374 -9.9031 -9.9031 -9.8659 -9.8659 -9.5268 -9.5268 -9.4315 -9.4315 -3.0966 -3.0966 -3.0905 -3.0905 -0.8483 -0.8483 -0.8336 -0.8336 0.7076 0.7076 0.8671 0.8671 1.2994 1.2994 1.4373 1.4373 3.3075 3.3075 3.4278 3.4278 4.2410 4.2410 4.2917 4.2917 8.6295 8.6295 9.5542 9.5542 10.1976 10.1976 10.5037 10.5037 11.0807 11.0807 12.3230 12.3230 13.1048 13.1048 13.1348 13.1348 14.9282 14.9282 14.9627 14.9627 15.9898 15.9898 k = 0.5816 0.3044-0.1117 ( 3182 PWs) bands (ev): -21.7496 -21.7496 -21.7386 -21.7386 -9.8922 -9.8922 -9.8562 -9.8562 -9.5265 -9.5265 -9.4400 -9.4400 -3.1218 -3.1218 -3.1190 -3.1190 -0.8281 -0.8281 -0.8192 -0.8192 0.7208 0.7208 0.8685 0.8685 1.2868 1.2868 1.4164 1.4164 3.3265 3.3265 3.4348 3.4348 4.2255 4.2255 4.2708 4.2708 8.7151 8.7151 9.5544 9.5544 10.2202 10.2202 10.4766 10.4766 11.1391 11.1391 12.3514 12.3514 13.0903 13.0903 13.1976 13.1976 14.8937 14.8937 14.9055 14.9055 15.9369 15.9369 k = 0.5773 0.3022-0.0964 ( 3182 PWs) bands (ev): -21.7491 -21.7491 -21.7397 -21.7397 -9.8808 -9.8808 -9.8464 -9.8464 -9.5267 -9.5267 -9.4488 -9.4488 -3.1471 -3.1471 -3.1467 -3.1467 -0.8089 -0.8089 -0.8045 -0.8045 0.7345 0.7345 0.8704 0.8704 1.2741 1.2741 1.3949 1.3949 3.3462 3.3462 3.4430 3.4430 4.2086 4.2086 4.2493 4.2493 8.7994 8.7994 9.5465 9.5465 10.2550 10.2550 10.4550 10.4550 11.1995 11.1995 12.3782 12.3782 13.0680 13.0680 13.2535 13.2535 14.8342 14.8342 14.8880 14.8880 15.8851 15.8851 k = 0.5730 0.2999-0.0811 ( 3186 PWs) bands (ev): -21.7486 -21.7486 -21.7407 -21.7407 -9.8688 -9.8688 -9.8362 -9.8362 -9.5275 -9.5275 -9.4579 -9.4579 -3.1735 -3.1735 -3.1722 -3.1722 -0.7908 -0.7908 -0.7896 -0.7896 0.7487 0.7487 0.8727 0.8727 1.2613 1.2613 1.3731 1.3731 3.3666 3.3666 3.4525 3.4525 4.1905 4.1905 4.2271 4.2271 8.8812 8.8812 9.5326 9.5326 10.2999 10.2999 10.4402 10.4402 11.2616 11.2616 12.4033 12.4033 13.0383 13.0383 13.2995 13.2995 14.7819 14.7819 14.8807 14.8807 15.8350 15.8350 k = 0.5687 0.2977-0.0658 ( 3184 PWs) bands (ev): -21.7483 -21.7483 -21.7416 -21.7416 -9.8564 -9.8564 -9.8258 -9.8258 -9.5289 -9.5289 -9.4672 -9.4672 -3.1994 -3.1994 -3.1970 -3.1970 -0.7747 -0.7747 -0.7737 -0.7737 0.7632 0.7632 0.8755 0.8755 1.2485 1.2485 1.3509 1.3509 3.3876 3.3876 3.4632 3.4632 4.1714 4.1714 4.2042 4.2042 8.9588 8.9588 9.5143 9.5143 10.3531 10.3531 10.4338 10.4338 11.3251 11.3251 12.4264 12.4264 13.0015 13.0015 13.3329 13.3329 14.7404 14.7404 14.8822 14.8822 15.7868 15.7868 k = 0.5644 0.2954-0.0505 ( 3180 PWs) bands (ev): -21.7480 -21.7480 -21.7424 -21.7424 -9.8435 -9.8435 -9.8152 -9.8152 -9.5310 -9.5310 -9.4767 -9.4767 -3.2242 -3.2242 -3.2213 -3.2213 -0.7601 -0.7601 -0.7576 -0.7576 0.7782 0.7782 0.8789 0.8789 1.2356 1.2356 1.3285 1.3285 3.4093 3.4093 3.4752 3.4752 4.1513 4.1513 4.1807 4.1807 9.0307 9.0307 9.4934 9.4934 10.4126 10.4126 10.4373 10.4373 11.3897 11.3897 12.4472 12.4472 12.9582 12.9582 13.3507 13.3507 14.7127 14.7127 14.8922 14.8922 15.7409 15.7409 k = 0.5601 0.2932-0.0352 ( 3185 PWs) bands (ev): -21.7478 -21.7478 -21.7432 -21.7432 -9.8303 -9.8303 -9.8044 -9.8044 -9.5337 -9.5337 -9.4864 -9.4864 -3.2479 -3.2479 -3.2448 -3.2448 -0.7458 -0.7458 -0.7425 -0.7425 0.7935 0.7935 0.8830 0.8830 1.2227 1.2227 1.3060 1.3060 3.4315 3.4315 3.4884 3.4884 4.1303 4.1303 4.1566 4.1566 9.0951 9.0951 9.4713 9.4713 10.4520 10.4520 10.4771 10.4771 11.4552 11.4552 12.4652 12.4652 12.9090 12.9090 13.3508 13.3508 14.7010 14.7010 14.9099 14.9099 15.6975 15.6975 k = 0.5558 0.2909-0.0199 ( 3175 PWs) bands (ev): -21.7476 -21.7476 -21.7439 -21.7439 -9.8168 -9.8168 -9.7934 -9.7934 -9.5370 -9.5370 -9.4963 -9.4963 -3.2704 -3.2704 -3.2673 -3.2673 -0.7320 -0.7320 -0.7284 -0.7284 0.8092 0.8092 0.8877 0.8877 1.2096 1.2096 1.2835 1.2835 3.4543 3.4543 3.5028 3.5028 4.1085 4.1085 4.1318 4.1318 9.1509 9.1509 9.4488 9.4488 10.4792 10.4792 10.5452 10.5452 11.5213 11.5213 12.4804 12.4804 12.8547 12.8547 13.3321 13.3321 14.7066 14.7066 14.9349 14.9349 15.6571 15.6571 k = 0.5516 0.2887-0.0047 ( 3177 PWs) bands (ev): -21.7474 -21.7474 -21.7446 -21.7446 -9.8031 -9.8031 -9.7822 -9.7822 -9.5410 -9.5410 -9.5065 -9.5065 -3.2916 -3.2916 -3.2888 -3.2888 -0.7188 -0.7188 -0.7153 -0.7153 0.8251 0.8251 0.8931 0.8931 1.1965 1.1965 1.2610 1.2610 3.4775 3.4775 3.5183 3.5183 4.0860 4.0860 4.1065 4.1065 9.1970 9.1970 9.4268 9.4268 10.5195 10.5195 10.6160 10.6160 11.5877 11.5877 12.4922 12.4922 12.7963 12.7963 13.2948 13.2948 14.7289 14.7289 14.9663 14.9663 15.6199 15.6199 k = 0.5473 0.2864 0.0106 ( 3169 PWs) bands (ev): -21.7473 -21.7473 -21.7451 -21.7451 -9.7891 -9.7891 -9.7709 -9.7709 -9.5457 -9.5457 -9.5168 -9.5168 -3.3115 -3.3115 -3.3090 -3.3090 -0.7064 -0.7064 -0.7032 -0.7032 0.8412 0.8412 0.8993 0.8993 1.1832 1.1832 1.2387 1.2387 3.5013 3.5013 3.5351 3.5351 4.0628 4.0628 4.0807 4.0807 9.2334 9.2334 9.4058 9.4058 10.5727 10.5727 10.6889 10.6889 11.6541 11.6541 12.5004 12.5004 12.7346 12.7346 13.2406 13.2406 14.7666 14.7666 15.0034 15.0034 15.5863 15.5863 k = 0.5430 0.2842 0.0259 ( 3159 PWs) bands (ev): -21.7473 -21.7473 -21.7456 -21.7456 -9.7751 -9.7751 -9.7594 -9.7594 -9.5511 -9.5511 -9.5274 -9.5274 -3.3299 -3.3299 -3.3279 -3.3279 -0.6949 -0.6949 -0.6921 -0.6921 0.8576 0.8576 0.9063 0.9063 1.1698 1.1698 1.2166 1.2166 3.5254 3.5254 3.5530 3.5530 4.0391 4.0391 4.0544 4.0544 9.2606 9.2606 9.3861 9.3861 10.6377 10.6377 10.7630 10.7630 11.7203 11.7203 12.5046 12.5046 12.6706 12.6706 13.1721 13.1721 14.8172 14.8172 15.0456 15.0456 15.5565 15.5565 k = 0.5387 0.2819 0.0412 ( 3162 PWs) bands (ev): -21.7473 -21.7473 -21.7460 -21.7460 -9.7610 -9.7610 -9.7478 -9.7478 -9.5572 -9.5572 -9.5381 -9.5381 -3.3469 -3.3469 -3.3453 -3.3453 -0.6843 -0.6843 -0.6821 -0.6821 0.8741 0.8741 0.9140 0.9140 1.1562 1.1562 1.1948 1.1948 3.5500 3.5500 3.5720 3.5720 4.0149 4.0149 4.0277 4.0277 9.2796 9.2796 9.3681 9.3681 10.7130 10.7130 10.8376 10.8376 11.7858 11.7858 12.5044 12.5044 12.6054 12.6054 13.0920 13.0920 14.8782 14.8782 15.0920 15.0920 15.5307 15.5307 k = 0.5344 0.2797 0.0565 ( 3160 PWs) bands (ev): -21.7473 -21.7473 -21.7464 -21.7464 -9.7469 -9.7469 -9.7361 -9.7361 -9.5640 -9.5640 -9.5490 -9.5490 -3.3623 -3.3623 -3.3611 -3.3611 -0.6747 -0.6747 -0.6730 -0.6730 0.8907 0.8907 0.9226 0.9226 1.1424 1.1424 1.1734 1.1734 3.5749 3.5749 3.5920 3.5920 3.9902 3.9902 4.0007 4.0007 9.2917 9.2917 9.3519 9.3519 10.7963 10.7963 10.9122 10.9122 11.8505 11.8505 12.4993 12.4993 12.5407 12.5407 13.0030 13.0030 14.9471 14.9471 15.1422 15.1422 15.5091 15.5091 k = 0.5301 0.2774 0.0718 ( 3156 PWs) bands (ev): -21.7473 -21.7473 -21.7467 -21.7467 -9.7329 -9.7329 -9.7244 -9.7244 -9.5714 -9.5714 -9.5601 -9.5601 -3.3761 -3.3761 -3.3752 -3.3752 -0.6662 -0.6662 -0.6649 -0.6649 0.9074 0.9074 0.9320 0.9320 1.1284 1.1284 1.1525 1.1525 3.6002 3.6002 3.6130 3.6130 3.9651 3.9651 3.9735 3.9735 9.2986 9.2986 9.3377 9.3377 10.8851 10.8851 10.9859 10.9859 11.9140 11.9140 12.4729 12.4729 12.4939 12.4939 12.9076 12.9076 15.0219 15.0219 15.1954 15.1954 15.4920 15.4920 k = 0.5258 0.2752 0.0871 ( 3156 PWs) bands (ev): -21.7474 -21.7474 -21.7470 -21.7470 -9.7189 -9.7189 -9.7125 -9.7125 -9.5795 -9.5795 -9.5713 -9.5713 -3.3882 -3.3882 -3.3876 -3.3876 -0.6587 -0.6587 -0.6579 -0.6579 0.9241 0.9241 0.9423 0.9423 1.1142 1.1142 1.1321 1.1321 3.6257 3.6257 3.6350 3.6350 3.9396 3.9396 3.9461 3.9461 9.3016 9.3016 9.3255 9.3255 10.9764 10.9764 11.0577 11.0577 11.9759 11.9759 12.4135 12.4135 12.4783 12.4783 12.8082 12.8082 15.1005 15.1005 15.2508 15.2508 15.4793 15.4793 k = 0.5215 0.2729 0.1024 ( 3146 PWs) bands (ev): -21.7474 -21.7474 -21.7472 -21.7472 -9.7052 -9.7052 -9.7006 -9.7006 -9.5882 -9.5882 -9.5826 -9.5826 -3.3985 -3.3985 -3.3982 -3.3982 -0.6524 -0.6524 -0.6519 -0.6519 0.9407 0.9407 0.9534 0.9534 1.0998 1.0998 1.1123 1.1123 3.6515 3.6515 3.6578 3.6578 3.9139 3.9139 3.9186 3.9186 9.3020 9.3020 9.3154 9.3154 11.0669 11.0669 11.1265 11.1265 12.0359 12.0359 12.3579 12.3579 12.4594 12.4594 12.7073 12.7073 15.1810 15.1810 15.3073 15.3073 15.4711 15.4711 k = 0.5172 0.2707 0.1177 ( 3140 PWs) bands (ev): -21.7474 -21.7474 -21.7473 -21.7473 -9.6916 -9.6916 -9.6887 -9.6887 -9.5976 -9.5976 -9.5941 -9.5941 -3.4070 -3.4070 -3.4069 -3.4069 -0.6472 -0.6472 -0.6469 -0.6469 0.9573 0.9573 0.9654 0.9654 1.0851 1.0851 1.0932 1.0932 3.6775 3.6775 3.6815 3.6815 3.8880 3.8880 3.8911 3.8911 9.3007 9.3007 9.3075 9.3075 11.1524 11.1524 11.1905 11.1905 12.0936 12.0936 12.3105 12.3105 12.4359 12.4359 12.6075 12.6075 15.2613 15.2613 15.3634 15.3634 15.4673 15.4673 k = 0.5129 0.2684 0.1330 ( 3138 PWs) bands (ev): -21.7475 -21.7475 -21.7475 -21.7475 -9.6784 -9.6784 -9.6767 -9.6767 -9.6076 -9.6076 -9.6057 -9.6057 -3.4137 -3.4137 -3.4137 -3.4137 -0.6432 -0.6432 -0.6430 -0.6430 0.9736 0.9736 0.9782 0.9782 1.0702 1.0702 1.0747 1.0747 3.7036 3.7036 3.7058 3.7058 3.8619 3.8619 3.8638 3.8638 9.2987 9.2987 9.3015 9.3015 11.2277 11.2277 11.2474 11.2474 12.1488 12.1488 12.2757 12.2757 12.4077 12.4077 12.5119 12.5119 15.3386 15.3386 15.4164 15.4164 15.4681 15.4681 k = 0.5086 0.2662 0.1483 ( 3138 PWs) bands (ev): -21.7475 -21.7475 -21.7475 -21.7475 -9.6655 -9.6655 -9.6648 -9.6648 -9.6181 -9.6181 -9.6173 -9.6173 -3.4186 -3.4186 -3.4185 -3.4185 -0.6403 -0.6403 -0.6402 -0.6402 0.9897 0.9897 0.9917 0.9917 1.0552 1.0552 1.0572 1.0572 3.7299 3.7299 3.7309 3.7309 3.8357 3.8357 3.8366 3.8366 9.2966 9.2966 9.2975 9.2975 11.2869 11.2869 11.2938 11.2938 12.2010 12.2010 12.2585 12.2585 12.3749 12.3749 12.4247 12.4247 15.4084 15.4084 15.4601 15.4601 15.4744 15.4744 k = 0.5043 0.2639 0.1636 ( 3149 PWs) bands (ev): -21.7476 -21.7476 -21.7476 -21.7476 -9.6530 -9.6530 -9.6530 -9.6530 -9.6292 -9.6292 -9.6291 -9.6291 -3.4215 -3.4215 -3.4214 -3.4214 -0.6386 -0.6386 -0.6386 -0.6386 1.0050 1.0050 1.0054 1.0054 1.0406 1.0406 1.0410 1.0410 3.7561 3.7561 3.7564 3.7564 3.8094 3.8094 3.8097 3.8097 9.2951 9.2951 9.2952 9.2952 11.3243 11.3243 11.3253 11.3253 12.2496 12.2496 12.2638 12.2638 12.3379 12.3379 12.3511 12.3511 15.4630 15.4630 15.4788 15.4788 15.4935 15.4935 k = 0.5000 0.2617 0.1789 ( 3150 PWs) bands (ev): -21.7476 -21.7476 -21.7476 -21.7476 -9.6423 -9.6423 -9.6423 -9.6423 -9.6396 -9.6396 -9.6396 -9.6396 -3.4224 -3.4224 -3.4224 -3.4224 -0.6380 -0.6380 -0.6380 -0.6380 1.0149 1.0149 1.0149 1.0149 1.0308 1.0308 1.0308 1.0308 3.7792 3.7792 3.7792 3.7792 3.7865 3.7865 3.7865 3.7865 9.2945 9.2945 9.2945 9.2945 11.3368 11.3368 11.3368 11.3368 12.2875 12.2875 12.2875 12.2875 12.3038 12.3038 12.3038 12.3038 15.4880 15.4880 15.4880 15.4880 15.4988 15.4988 k = 0.5000-0.3468-0.2371 ( 3188 PWs) bands (ev): -21.7422 -21.7422 -21.7422 -21.7422 -9.7668 -9.7668 -9.7667 -9.7667 -9.6609 -9.6609 -9.6609 -9.6609 -2.9155 -2.9155 -2.9155 -2.9155 -0.9009 -0.9009 -0.9009 -0.9009 1.0682 1.0682 1.0682 1.0682 1.2832 1.2832 1.2832 1.2832 3.5784 3.5784 3.5785 3.5785 3.8942 3.8942 3.8943 3.8943 8.0993 8.0993 8.0993 8.0993 11.0707 11.0707 11.0708 11.0708 11.4892 11.4892 11.4892 11.4892 12.7112 12.7112 12.7113 12.7113 16.0727 16.0727 16.0727 16.0727 16.4507 16.4507 k = 0.5102-0.3367-0.2302 ( 3188 PWs) bands (ev): -21.7426 -21.7426 -21.7419 -21.7419 -9.7789 -9.7789 -9.7547 -9.7547 -9.6744 -9.6744 -9.6474 -9.6474 -2.9156 -2.9156 -2.9149 -2.9149 -0.9016 -0.9016 -0.9008 -0.9008 1.0491 1.0491 1.0870 1.0870 1.2639 1.2639 1.3025 1.3025 3.5475 3.5475 3.6102 3.6102 3.8694 3.8694 3.9192 3.9192 8.0662 8.0662 8.1340 8.1340 11.0661 11.0661 11.0735 11.0735 11.4620 11.4620 11.5162 11.5162 12.6748 12.6748 12.7475 12.7475 16.0619 16.0619 16.0804 16.0804 16.4093 16.4093 k = 0.5205-0.3267-0.2233 ( 3184 PWs) bands (ev): -21.7429 -21.7429 -21.7415 -21.7415 -9.7909 -9.7909 -9.7427 -9.7427 -9.6877 -9.6877 -9.6340 -9.6340 -2.9151 -2.9151 -2.9137 -2.9137 -0.9029 -0.9029 -0.9013 -0.9013 1.0297 1.0297 1.1053 1.1053 1.2447 1.2447 1.3216 1.3216 3.5175 3.5175 3.6429 3.6429 3.8449 3.8449 3.9443 3.9443 8.0346 8.0346 8.1701 8.1701 11.0595 11.0595 11.0742 11.0742 11.4349 11.4349 11.5429 11.5429 12.6385 12.6385 12.7832 12.7832 16.0490 16.0490 16.0832 16.0832 16.3739 16.3739 k = 0.5307-0.3166-0.2164 ( 3190 PWs) bands (ev): -21.7432 -21.7432 -21.7411 -21.7411 -9.8029 -9.8029 -9.7308 -9.7308 -9.7011 -9.7011 -9.6205 -9.6205 -2.9140 -2.9140 -2.9121 -2.9121 -0.9048 -0.9048 -0.9026 -0.9026 1.0100 1.0100 1.1232 1.1232 1.2255 1.2255 1.3405 1.3405 3.4885 3.4885 3.6762 3.6762 3.8205 3.8205 3.9694 3.9694 8.0048 8.0048 8.2076 8.2076 11.0509 11.0509 11.0731 11.0731 11.4079 11.4079 11.5691 11.5691 12.6028 12.6028 12.8179 12.8179 16.0349 16.0349 16.0793 16.0793 16.3466 16.3466 k = 0.5410-0.3065-0.2096 ( 3192 PWs) bands (ev): -21.7436 -21.7436 -21.7407 -21.7407 -9.8148 -9.8148 -9.7192 -9.7192 -9.7141 -9.7141 -9.6071 -9.6071 -2.9124 -2.9124 -2.9101 -2.9101 -0.9072 -0.9072 -0.9046 -0.9046 0.9900 0.9900 1.1405 1.1405 1.2066 1.2066 1.3591 1.3591 3.4606 3.4606 3.7101 3.7101 3.7965 3.7965 3.9945 3.9945 7.9767 7.9767 8.2465 8.2465 11.0404 11.0404 11.0700 11.0700 11.3813 11.3813 11.5947 11.5947 12.5680 12.5680 12.8513 12.8513 16.0201 16.0201 16.0670 16.0670 16.3293 16.3293 k = 0.5512-0.2965-0.2027 ( 3191 PWs) bands (ev): -21.7439 -21.7439 -21.7403 -21.7403 -9.8266 -9.8266 -9.7276 -9.7276 -9.7073 -9.7073 -9.5937 -9.5937 -2.9102 -2.9102 -2.9077 -2.9077 -0.9100 -0.9100 -0.9074 -0.9074 0.9697 0.9697 1.1565 1.1565 1.1887 1.1887 1.3774 1.3774 3.4339 3.4339 3.7442 3.7442 3.7732 3.7732 4.0195 4.0195 7.9504 7.9504 8.2866 8.2866 11.0279 11.0279 11.0649 11.0649 11.3552 11.3552 11.6196 11.6196 12.5345 12.5345 12.8830 12.8830 16.0048 16.0048 16.0464 16.0464 16.3221 16.3221 k = 0.5615-0.2864-0.1958 ( 3191 PWs) bands (ev): -21.7443 -21.7443 -21.7399 -21.7399 -9.8381 -9.8381 -9.7406 -9.7406 -9.6959 -9.6959 -9.5804 -9.5804 -2.9074 -2.9074 -2.9049 -2.9049 -0.9131 -0.9131 -0.9109 -0.9109 0.9493 0.9493 1.1622 1.1622 1.1810 1.1810 1.3954 1.3954 3.4084 3.4084 3.7489 3.7489 3.7801 3.7801 4.0444 4.0444 7.9259 7.9259 8.3278 8.3278 11.0135 11.0135 11.0577 11.0577 11.3299 11.3299 11.6435 11.6435 12.5025 12.5025 12.9128 12.9128 15.9893 15.9893 16.0195 16.0195 16.3231 16.3231 k = 0.5717-0.2764-0.1889 ( 3191 PWs) bands (ev): -21.7447 -21.7447 -21.7394 -21.7394 -9.8494 -9.8494 -9.7535 -9.7535 -9.6848 -9.6848 -9.5672 -9.5672 -2.9040 -2.9040 -2.9019 -2.9019 -0.9166 -0.9166 -0.9152 -0.9152 0.9288 0.9288 1.1471 1.1471 1.1938 1.1938 1.4129 1.4129 3.3842 3.3842 3.7263 3.7263 3.8149 3.8149 4.0691 4.0691 7.9033 7.9033 8.3700 8.3700 10.9972 10.9972 11.0486 11.0486 11.3053 11.3053 11.6665 11.6665 12.4725 12.4725 12.9402 12.9402 15.9735 15.9735 15.9888 15.9888 16.3300 16.3300 k = 0.5820-0.2663-0.1820 ( 3189 PWs) bands (ev): -21.7452 -21.7452 -21.7389 -21.7389 -9.8605 -9.8605 -9.7662 -9.7662 -9.6739 -9.6739 -9.5540 -9.5540 -2.9001 -2.9001 -2.8986 -2.8986 -0.9203 -0.9203 -0.9202 -0.9202 0.9082 0.9082 1.1292 1.1292 1.2093 1.2093 1.4300 1.4300 3.3612 3.3612 3.7039 3.7039 3.8501 3.8501 4.0935 4.0935 7.8827 7.8827 8.4132 8.4132 10.9790 10.9790 11.0374 11.0374 11.2818 11.2818 11.6883 11.6883 12.4446 12.4446 12.9650 12.9650 15.9547 15.9547 15.9595 15.9595 16.3405 16.3405 k = 0.5922-0.2562-0.1752 ( 3193 PWs) bands (ev): -21.7456 -21.7456 -21.7383 -21.7383 -9.8712 -9.8712 -9.7787 -9.7787 -9.6634 -9.6634 -9.5410 -9.5410 -2.8956 -2.8956 -2.8951 -2.8951 -0.9261 -0.9261 -0.9241 -0.9241 0.8876 0.8876 1.1113 1.1113 1.2247 1.2247 1.4465 1.4465 3.3395 3.3395 3.6820 3.6820 3.8854 3.8854 4.1176 4.1176 7.8640 7.8640 8.4573 8.4573 10.9591 10.9591 11.0242 11.0242 11.2592 11.2592 11.7089 11.7089 12.4193 12.4193 12.9869 12.9869 15.9225 15.9225 15.9432 15.9432 16.3529 16.3529 k = 0.6024-0.2462-0.1683 ( 3194 PWs) bands (ev): -21.7462 -21.7462 -21.7377 -21.7377 -9.8816 -9.8816 -9.7911 -9.7911 -9.6533 -9.6533 -9.5281 -9.5281 -2.8917 -2.8917 -2.8904 -2.8904 -0.9327 -0.9327 -0.9279 -0.9279 0.8670 0.8670 1.0936 1.0936 1.2398 1.2398 1.4624 1.4624 3.3191 3.3191 3.6606 3.6606 3.9206 3.9206 4.1412 4.1412 7.8473 7.8473 8.5021 8.5021 10.9375 10.9375 11.0090 11.0090 11.2376 11.2376 11.7282 11.7282 12.3966 12.3966 13.0058 13.0058 15.8900 15.8900 15.9281 15.9281 16.3659 16.3659 k = 0.6127-0.2361-0.1614 ( 3191 PWs) bands (ev): -21.7467 -21.7467 -21.7370 -21.7370 -9.8916 -9.8916 -9.8032 -9.8032 -9.6435 -9.6435 -9.5154 -9.5154 -2.8882 -2.8882 -2.8847 -2.8847 -0.9401 -0.9401 -0.9317 -0.9317 0.8466 0.8466 1.0761 1.0761 1.2546 1.2546 1.4777 1.4777 3.3001 3.3001 3.6398 3.6398 3.9555 3.9555 4.1644 4.1644 7.8327 7.8327 8.5475 8.5475 10.9146 10.9146 10.9919 10.9919 11.2170 11.2170 11.7461 11.7461 12.3768 12.3768 13.0216 13.0216 15.8586 15.8586 15.9133 15.9133 16.3785 16.3785 k = 0.6229-0.2260-0.1545 ( 3192 PWs) bands (ev): -21.7473 -21.7473 -21.7363 -21.7363 -9.9012 -9.9012 -9.8151 -9.8151 -9.6342 -9.6342 -9.5028 -9.5028 -2.8849 -2.8849 -2.8786 -2.8786 -0.9484 -0.9484 -0.9353 -0.9353 0.8263 0.8263 1.0590 1.0590 1.2690 1.2690 1.4923 1.4923 3.2823 3.2823 3.6196 3.6196 3.9901 3.9901 4.1871 4.1871 7.8201 7.8201 8.5934 8.5934 10.8905 10.8905 10.9728 10.9728 11.1974 11.1974 11.7626 11.7626 12.3600 12.3600 13.0341 13.0341 15.8286 15.8286 15.8989 15.8989 16.3897 16.3897 k = 0.6332-0.2160-0.1476 ( 3184 PWs) bands (ev): -21.7480 -21.7480 -21.7356 -21.7356 -9.9103 -9.9103 -9.8268 -9.8268 -9.6254 -9.6254 -9.4905 -9.4905 -2.8817 -2.8817 -2.8718 -2.8718 -0.9573 -0.9573 -0.9385 -0.9385 0.8064 0.8064 1.0422 1.0422 1.2830 1.2830 1.5062 1.5062 3.2659 3.2659 3.6000 3.6000 4.0241 4.0241 4.2093 4.2093 7.8097 7.8097 8.6397 8.6397 10.8655 10.8655 10.9519 10.9519 11.1786 11.1786 11.7778 11.7778 12.3463 12.3463 13.0435 13.0435 15.8002 15.8002 15.8850 15.8850 16.3989 16.3989 k = 0.6434-0.2059-0.1408 ( 3186 PWs) bands (ev): -21.7487 -21.7487 -21.7347 -21.7347 -9.9189 -9.9189 -9.8382 -9.8382 -9.6170 -9.6170 -9.4783 -9.4783 -2.8788 -2.8788 -2.8646 -2.8646 -0.9671 -0.9671 -0.9414 -0.9414 0.7867 0.7867 1.0259 1.0259 1.2966 1.2966 1.5193 1.5193 3.2507 3.2507 3.5812 3.5812 4.0574 4.0574 4.2309 4.2309 7.8013 7.8013 8.6863 8.6863 10.8397 10.8397 10.9293 10.9293 11.1605 11.1605 11.7915 11.7915 12.3356 12.3356 13.0496 13.0496 15.7734 15.7734 15.8715 15.8715 16.4054 16.4054 k = 0.6537-0.1958-0.1339 ( 3192 PWs) bands (ev): -21.7494 -21.7494 -21.7338 -21.7338 -9.9270 -9.9270 -9.8493 -9.8493 -9.6091 -9.6091 -9.4663 -9.4663 -2.8763 -2.8763 -2.8569 -2.8569 -0.9777 -0.9777 -0.9438 -0.9438 0.7675 0.7675 1.0099 1.0099 1.3098 1.3098 1.5316 1.5316 3.2367 3.2367 3.5630 3.5630 4.0897 4.0897 4.2519 4.2519 7.7949 7.7949 8.7329 8.7329 10.8136 10.8136 10.9051 10.9051 11.1432 11.1432 11.8040 11.8040 12.3279 12.3279 13.0528 13.0528 15.7483 15.7483 15.8586 15.8586 16.4090 16.4090 k = 0.6639-0.1858-0.1270 ( 3189 PWs) bands (ev): -21.7503 -21.7503 -21.7329 -21.7329 -9.9346 -9.9346 -9.8601 -9.8601 -9.6017 -9.6017 -9.4546 -9.4546 -2.8742 -2.8742 -2.8488 -2.8488 -0.9890 -0.9890 -0.9455 -0.9455 0.7487 0.7487 0.9944 0.9944 1.3226 1.3226 1.5431 1.5431 3.2241 3.2241 3.5457 3.5457 4.1209 4.1209 4.2724 4.2724 7.7907 7.7907 8.7795 8.7795 10.7872 10.7872 10.8795 10.8795 11.1264 11.1264 11.8154 11.8154 12.3231 12.3231 13.0531 13.0531 15.7249 15.7249 15.8462 15.8462 16.4097 16.4097 k = 0.6741-0.1757-0.1201 ( 3192 PWs) bands (ev): -21.7512 -21.7512 -21.7319 -21.7319 -9.9415 -9.9415 -9.8706 -9.8706 -9.5949 -9.5949 -9.4432 -9.4432 -2.8727 -2.8727 -2.8401 -2.8401 -1.0011 -1.0011 -0.9465 -0.9465 0.7305 0.7305 0.9793 0.9793 1.3349 1.3349 1.5536 1.5536 3.2126 3.2126 3.5291 3.5291 4.1507 4.1507 4.2925 4.2925 7.7885 7.7885 8.8260 8.8260 10.7608 10.7608 10.8526 10.8526 11.1102 11.1102 11.8258 11.8258 12.3209 12.3209 13.0509 13.0509 15.7030 15.7030 15.8344 15.8344 16.4075 16.4075 k = 0.6844-0.1656-0.1132 ( 3190 PWs) bands (ev): -21.7521 -21.7521 -21.7308 -21.7308 -9.9479 -9.9479 -9.8808 -9.8808 -9.5887 -9.5887 -9.4320 -9.4320 -2.8719 -2.8719 -2.8311 -2.8311 -1.0139 -1.0139 -0.9466 -0.9466 0.7129 0.7129 0.9646 0.9646 1.3468 1.3468 1.5633 1.5633 3.2022 3.2022 3.5135 3.5135 4.1787 4.1787 4.3124 4.3124 7.7883 7.7883 8.8721 8.8721 10.7348 10.7348 10.8247 10.8247 11.0943 11.0943 11.8353 11.8353 12.3212 12.3212 13.0464 13.0464 15.6826 15.6826 15.8233 15.8233 16.4026 16.4026 k = 0.6946-0.1556-0.1064 ( 3190 PWs) bands (ev): -21.7532 -21.7532 -21.7297 -21.7297 -9.9536 -9.9536 -9.8906 -9.8906 -9.5831 -9.5831 -9.4211 -9.4211 -2.8718 -2.8718 -2.8216 -2.8216 -1.0275 -1.0275 -0.9458 -0.9458 0.6959 0.6959 0.9503 0.9503 1.3582 1.3582 1.5720 1.5720 3.1930 3.1930 3.4988 3.4988 4.2046 4.2046 4.3323 4.3323 7.7901 7.7901 8.9176 8.9176 10.7092 10.7092 10.7959 10.7959 11.0789 11.0789 11.8443 11.8443 12.3237 12.3237 13.0400 13.0400 15.6636 15.6636 15.8128 15.8128 16.3955 16.3955 k = 0.7049-0.1455-0.0995 ( 3191 PWs) bands (ev): -21.7543 -21.7543 -21.7285 -21.7285 -9.9587 -9.9587 -9.9000 -9.9000 -9.5780 -9.5780 -9.4105 -9.4105 -2.8725 -2.8725 -2.8117 -2.8117 -1.0418 -1.0418 -0.9439 -0.9439 0.6797 0.6797 0.9365 0.9365 1.3691 1.3691 1.5797 1.5797 3.1848 3.1848 3.4851 3.4851 4.2280 4.2280 4.3523 4.3523 7.7939 7.7939 8.9626 8.9626 10.6842 10.6842 10.7664 10.7664 11.0638 11.0638 11.8529 11.8529 12.3281 12.3281 13.0320 13.0320 15.6458 15.6458 15.8031 15.8031 16.3866 16.3866 k = 0.7151-0.1354-0.0926 ( 3187 PWs) bands (ev): -21.7555 -21.7555 -21.7272 -21.7272 -9.9631 -9.9631 -9.9091 -9.9091 -9.5736 -9.5736 -9.4002 -9.4002 -2.8742 -2.8742 -2.8014 -2.8014 -1.0568 -1.0568 -0.9410 -0.9410 0.6642 0.6642 0.9232 0.9232 1.3796 1.3796 1.5864 1.5864 3.1776 3.1776 3.4725 3.4725 4.2486 4.2486 4.3728 4.3728 7.7995 7.7995 9.0067 9.0067 10.6601 10.6601 10.7364 10.7364 11.0491 11.0491 11.8612 11.8612 12.3342 12.3342 13.0228 13.0228 15.6292 15.6292 15.7941 15.7941 16.3762 16.3762 k = 0.7254-0.1254-0.0857 ( 3187 PWs) bands (ev): -21.7568 -21.7568 -21.7258 -21.7258 -9.9668 -9.9668 -9.9178 -9.9178 -9.5697 -9.5697 -9.3902 -9.3902 -2.8767 -2.8767 -2.7908 -2.7908 -1.0725 -1.0725 -0.9368 -0.9368 0.6496 0.6496 0.9103 0.9103 1.3895 1.3895 1.5921 1.5921 3.1713 3.1713 3.4611 3.4611 4.2661 4.2661 4.3938 4.3938 7.8069 7.8069 9.0498 9.0498 10.6370 10.6370 10.7061 10.7061 11.0346 11.0346 11.8695 11.8695 12.3416 12.3416 13.0129 13.0129 15.6137 15.6137 15.7858 15.7858 16.3646 16.3646 k = 0.7356-0.1153-0.0788 ( 3187 PWs) bands (ev): -21.7581 -21.7581 -21.7244 -21.7244 -9.9698 -9.9698 -9.9261 -9.9261 -9.5665 -9.5665 -9.3806 -9.3806 -2.8802 -2.8802 -2.7798 -2.7798 -1.0889 -1.0889 -0.9314 -0.9314 0.6358 0.6358 0.8979 0.8979 1.3989 1.3989 1.5967 1.5967 3.1657 3.1657 3.4509 3.4509 4.2805 4.2805 4.4153 4.4153 7.8161 7.8161 9.0917 9.0917 10.6150 10.6150 10.6757 10.6757 11.0205 11.0205 11.8779 11.8779 12.3502 12.3502 13.0025 13.0025 15.5992 15.5992 15.7782 15.7782 16.3522 16.3522 k = 0.7459-0.1052-0.0719 ( 3183 PWs) bands (ev): -21.7596 -21.7596 -21.7229 -21.7229 -9.9721 -9.9721 -9.9339 -9.9339 -9.5640 -9.5640 -9.3714 -9.3714 -2.8848 -2.8848 -2.7685 -2.7685 -1.1059 -1.1059 -0.9248 -0.9248 0.6229 0.6229 0.8860 0.8860 1.4077 1.4077 1.6002 1.6002 3.1610 3.1610 3.4420 3.4420 4.2917 4.2917 4.4372 4.4372 7.8269 7.8269 9.1323 9.1323 10.5944 10.5944 10.6454 10.6454 11.0066 11.0066 11.8866 11.8866 12.3598 12.3598 12.9921 12.9921 15.5857 15.5857 15.7715 15.7715 16.3392 16.3392 k = 0.7561-0.0952-0.0651 ( 3183 PWs) bands (ev): -21.7611 -21.7611 -21.7214 -21.7214 -9.9737 -9.9737 -9.9413 -9.9413 -9.5620 -9.5620 -9.3625 -9.3625 -2.8904 -2.8904 -2.7569 -2.7569 -1.1237 -1.1237 -0.9169 -0.9169 0.6110 0.6110 0.8745 0.8745 1.4160 1.4160 1.6027 1.6027 3.1569 3.1569 3.4346 3.4346 4.3001 4.3001 4.4593 4.4593 7.8393 7.8393 9.1714 9.1714 10.5752 10.5752 10.6153 10.6153 10.9929 10.9929 11.8956 11.8956 12.3701 12.3701 12.9821 12.9821 15.5731 15.5731 15.7656 15.7656 16.3258 16.3258 k = 0.7663-0.0851-0.0582 ( 3189 PWs) bands (ev): -21.7627 -21.7627 -21.7198 -21.7198 -9.9747 -9.9747 -9.9481 -9.9481 -9.5607 -9.5607 -9.3540 -9.3540 -2.8970 -2.8970 -2.7449 -2.7449 -1.1421 -1.1421 -0.9077 -0.9077 0.6000 0.6000 0.8635 0.8635 1.4236 1.4236 1.6040 1.6040 3.1533 3.1533 3.4287 3.4287 4.3057 4.3057 4.4811 4.4811 7.8532 7.8532 9.2088 9.2088 10.5575 10.5575 10.5857 10.5857 10.9796 10.9796 11.9051 11.9051 12.3811 12.3811 12.9727 12.9727 15.5614 15.5614 15.7605 15.7605 16.3123 16.3123 Writing output data file Al2O3.save init_run : 0.20s CPU 0.34s WALL ( 1 calls) electrons : 204.73s CPU 207.38s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 204.72s CPU 207.37s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.04s WALL ( 290 calls) cegterg : 186.33s CPU 188.51s WALL ( 506 calls) Called by sum_band: Called by *egterg: h_psi : 111.03s CPU 112.50s WALL ( 8132 calls) s_psi : 7.52s CPU 7.45s WALL ( 8132 calls) g_psi : 0.20s CPU 0.20s WALL ( 7336 calls) cdiaghg : 65.18s CPU 65.84s WALL ( 7626 calls) cegterg:over : 5.65s CPU 5.81s WALL ( 7336 calls) cegterg:upda : 4.83s CPU 5.03s WALL ( 7336 calls) cegterg:last : 3.02s CPU 2.99s WALL ( 1347 calls) cdiaghg:chol : 3.66s CPU 3.71s WALL ( 7626 calls) cdiaghg:inve : 2.42s CPU 2.57s WALL ( 7626 calls) cdiaghg:para : 4.53s CPU 4.35s WALL ( 15252 calls) Called by h_psi: h_psi:vloc : 93.36s CPU 94.63s WALL ( 8132 calls) h_psi:vnl : 17.47s CPU 17.67s WALL ( 8132 calls) add_vuspsi : 9.20s CPU 9.40s WALL ( 8132 calls) General routines calbec : 8.24s CPU 8.24s WALL ( 8132 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 87.59s CPU 88.59s WALL ( 889888 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.15s WALL ( 580 calls) Parallel routines fft_scatter : 26.53s CPU 26.98s WALL ( 889911 calls) PWSCF : 3m38.05s CPU 3m53.62s WALL This run was terminated on: 18:36:53 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=