Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 5:45:41 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./TeI.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 19 18 5 922 859 131 Max 20 19 6 934 874 136 Sum 1411 1363 395 66825 62379 9647 bravais-lattice index = 14 lattice parameter (alat) = 15.0624 a.u. unit-cell volume = 2049.9106 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 37.0000 Ry charge density cutoff = 155.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.062367 celldm(2)= 1.000000 celldm(3)= 1.505396 celldm(4)= 0.595292 celldm(5)= 0.595292 celldm(6)= 0.862359 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.862359 0.506298 0.000000 ) a(3) = ( 0.896151 0.243626 1.184811 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.703263 -0.406133 ) b(2) = ( 0.000000 1.975121 -0.406133 ) b(3) = ( 0.000000 0.000000 0.844017 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 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 PseudoPot. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 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 Te 6.00 127.60000 Te( 1.00) I 7.00 126.90450 I( 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= 307 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0192308 0.0052280 -0.0156205), wk = 0.0032573 k( 3) = ( 0.0384615 0.0104561 -0.0312410), wk = 0.0032573 k( 4) = ( 0.0576923 0.0156841 -0.0468616), wk = 0.0032573 k( 5) = ( 0.0769231 0.0209122 -0.0624821), wk = 0.0032573 k( 6) = ( 0.0961538 0.0261402 -0.0781026), wk = 0.0032573 k( 7) = ( 0.1153846 0.0313683 -0.0937231), wk = 0.0032573 k( 8) = ( 0.1346154 0.0365963 -0.1093436), wk = 0.0032573 k( 9) = ( 0.1538461 0.0418244 -0.1249641), wk = 0.0032573 k( 10) = ( 0.1730769 0.0470524 -0.1405847), wk = 0.0032573 k( 11) = ( 0.1923077 0.0522805 -0.1562052), wk = 0.0032573 k( 12) = ( 0.2115385 0.0575085 -0.1718257), wk = 0.0032573 k( 13) = ( 0.2307692 0.0627366 -0.1874462), wk = 0.0032573 k( 14) = ( 0.2500000 0.0679646 -0.2030667), wk = 0.0032573 k( 15) = ( 0.2692308 0.0731927 -0.2186873), wk = 0.0032573 k( 16) = ( 0.2884615 0.0784207 -0.2343078), wk = 0.0032573 k( 17) = ( 0.3076923 0.0836488 -0.2499283), wk = 0.0032573 k( 18) = ( 0.3269231 0.0888768 -0.2655488), wk = 0.0032573 k( 19) = ( 0.3461538 0.0941049 -0.2811693), wk = 0.0032573 k( 20) = ( 0.3653846 0.0993329 -0.2967899), wk = 0.0032573 k( 21) = ( 0.3846154 0.1045610 -0.3124104), wk = 0.0032573 k( 22) = ( 0.4038462 0.1097890 -0.3280309), wk = 0.0032573 k( 23) = ( 0.4230769 0.1150171 -0.3436514), wk = 0.0032573 k( 24) = ( 0.4423077 0.1202451 -0.3592719), wk = 0.0032573 k( 25) = ( 0.4615385 0.1254732 -0.3748924), wk = 0.0032573 k( 26) = ( 0.4807692 0.1307012 -0.3905130), wk = 0.0032573 k( 27) = ( 0.5000000 0.1359293 -0.4061335), wk = 0.0032573 k( 28) = ( 0.5000000 0.1359293 -0.4061335), wk = 0.0032573 k( 29) = ( 0.5120072 0.1391935 -0.3902586), wk = 0.0032573 k( 30) = ( 0.5120072 0.1391935 -0.3902586), wk = 0.0032573 k( 31) = ( 0.5113009 0.1390015 -0.3663684), wk = 0.0032573 k( 32) = ( 0.5105946 0.1388095 -0.3424782), wk = 0.0032573 k( 33) = ( 0.5098883 0.1386175 -0.3185880), wk = 0.0032573 k( 34) = ( 0.5091820 0.1384255 -0.2946978), wk = 0.0032573 k( 35) = ( 0.5084757 0.1382335 -0.2708076), wk = 0.0032573 k( 36) = ( 0.5077694 0.1380414 -0.2469174), wk = 0.0032573 k( 37) = ( 0.5070631 0.1378494 -0.2230272), wk = 0.0032573 k( 38) = ( 0.5063568 0.1376574 -0.1991370), wk = 0.0032573 k( 39) = ( 0.5056505 0.1374654 -0.1752468), wk = 0.0032573 k( 40) = ( 0.5049442 0.1372734 -0.1513566), wk = 0.0032573 k( 41) = ( 0.5042378 0.1370814 -0.1274663), wk = 0.0032573 k( 42) = ( 0.5035315 0.1368894 -0.1035761), wk = 0.0032573 k( 43) = ( 0.5028252 0.1366973 -0.0796859), wk = 0.0032573 k( 44) = ( 0.5021189 0.1365053 -0.0557957), wk = 0.0032573 k( 45) = ( 0.5014126 0.1363133 -0.0319055), wk = 0.0032573 k( 46) = ( 0.5007063 0.1361213 -0.0080153), wk = 0.0032573 k( 47) = ( 0.5000000 0.1359293 0.0158749), wk = 0.0032573 k( 48) = ( 0.5000000 0.1359293 0.0158749), wk = 0.0032573 k( 49) = ( 0.5065882 0.1116955 0.0158749), wk = 0.0032573 k( 50) = ( 0.5131763 0.0874616 0.0158749), wk = 0.0032573 k( 51) = ( 0.5197645 0.0632278 0.0158749), wk = 0.0032573 k( 52) = ( 0.5263527 0.0389940 0.0158749), wk = 0.0032573 k( 53) = ( 0.5329408 0.0147602 0.0158749), wk = 0.0032573 k( 54) = ( 0.5395290 -0.0094736 0.0158749), wk = 0.0032573 k( 55) = ( 0.5461172 -0.0337074 0.0158749), wk = 0.0032573 k( 56) = ( 0.5527053 -0.0579412 0.0158749), wk = 0.0032573 k( 57) = ( 0.5592935 -0.0821750 0.0158749), wk = 0.0032573 k( 58) = ( 0.5658817 -0.1064089 0.0158749), wk = 0.0032573 k( 59) = ( 0.5724699 -0.1306427 0.0158749), wk = 0.0032573 k( 60) = ( 0.5790580 -0.1548765 0.0158749), wk = 0.0032573 k( 61) = ( 0.5856462 -0.1791103 0.0158749), wk = 0.0032573 k( 62) = ( 0.5922344 -0.2033441 0.0158749), wk = 0.0032573 k( 63) = ( 0.5988225 -0.2275779 0.0158749), wk = 0.0032573 k( 64) = ( 0.6054107 -0.2518117 0.0158749), wk = 0.0032573 k( 65) = ( 0.6119989 -0.2760455 0.0158749), wk = 0.0032573 k( 66) = ( 0.6185870 -0.3002793 0.0158749), wk = 0.0032573 k( 67) = ( 0.6251752 -0.3245132 0.0158749), wk = 0.0032573 k( 68) = ( 0.6317634 -0.3487470 0.0158749), wk = 0.0032573 k( 69) = ( 0.6383515 -0.3729808 0.0158749), wk = 0.0032573 k( 70) = ( 0.6449397 -0.3972146 0.0158749), wk = 0.0032573 k( 71) = ( 0.6515279 -0.4214484 0.0158749), wk = 0.0032573 k( 72) = ( 0.6581160 -0.4456822 0.0158749), wk = 0.0032573 k( 73) = ( 0.6647042 -0.4699160 0.0158749), wk = 0.0032573 k( 74) = ( 0.6712924 -0.4941498 0.0158749), wk = 0.0032573 k( 75) = ( 0.6778806 -0.5183837 0.0158749), wk = 0.0032573 k( 76) = ( 0.6844687 -0.5426175 0.0158749), wk = 0.0032573 k( 77) = ( 0.6910569 -0.5668513 0.0158749), wk = 0.0032573 k( 78) = ( 0.6976451 -0.5910851 0.0158749), wk = 0.0032573 k( 79) = ( 0.7042332 -0.6153189 0.0158749), wk = 0.0032573 k( 80) = ( 0.7108214 -0.6395527 0.0158749), wk = 0.0032573 k( 81) = ( 0.7174096 -0.6637865 0.0158749), wk = 0.0032573 k( 82) = ( 0.7239977 -0.6880203 0.0158749), wk = 0.0032573 k( 83) = ( 0.7305859 -0.7122541 0.0158749), wk = 0.0032573 k( 84) = ( 0.7371741 -0.7364880 0.0158749), wk = 0.0032573 k( 85) = ( 0.7437622 -0.7607218 0.0158749), wk = 0.0032573 k( 86) = ( 0.2562377 -0.9425407 0.4220084), wk = 0.0032573 k( 87) = ( 0.2496676 -0.9183730 0.4220084), wk = 0.0032573 k( 88) = ( 0.2430974 -0.8942053 0.4220084), wk = 0.0032573 k( 89) = ( 0.2365272 -0.8700376 0.4220084), wk = 0.0032573 k( 90) = ( 0.2299570 -0.8458699 0.4220084), wk = 0.0032573 k( 91) = ( 0.2233868 -0.8217022 0.4220084), wk = 0.0032573 k( 92) = ( 0.2168166 -0.7975345 0.4220084), wk = 0.0032573 k( 93) = ( 0.2102464 -0.7733668 0.4220084), wk = 0.0032573 k( 94) = ( 0.2036762 -0.7491990 0.4220084), wk = 0.0032573 k( 95) = ( 0.1971060 -0.7250314 0.4220084), wk = 0.0032573 k( 96) = ( 0.1905358 -0.7008636 0.4220084), wk = 0.0032573 k( 97) = ( 0.1839656 -0.6766959 0.4220084), wk = 0.0032573 k( 98) = ( 0.1773954 -0.6525282 0.4220084), wk = 0.0032573 k( 99) = ( 0.1708252 -0.6283605 0.4220084), wk = 0.0032573 k( 100) = ( 0.1642550 -0.6041928 0.4220084), wk = 0.0032573 k( 101) = ( 0.1576848 -0.5800251 0.4220084), wk = 0.0032573 k( 102) = ( 0.1511146 -0.5558573 0.4220084), wk = 0.0032573 k( 103) = ( 0.1445444 -0.5316896 0.4220084), wk = 0.0032573 k( 104) = ( 0.1379742 -0.5075220 0.4220084), wk = 0.0032573 k( 105) = ( 0.1314040 -0.4833542 0.4220084), wk = 0.0032573 k( 106) = ( 0.1248338 -0.4591865 0.4220084), wk = 0.0032573 k( 107) = ( 0.1182636 -0.4350188 0.4220084), wk = 0.0032573 k( 108) = ( 0.1116934 -0.4108511 0.4220084), wk = 0.0032573 k( 109) = ( 0.1051232 -0.3866834 0.4220084), wk = 0.0032573 k( 110) = ( 0.0985530 -0.3625157 0.4220084), wk = 0.0032573 k( 111) = ( 0.0919828 -0.3383479 0.4220084), wk = 0.0032573 k( 112) = ( 0.0854126 -0.3141802 0.4220084), wk = 0.0032573 k( 113) = ( 0.0788424 -0.2900126 0.4220084), wk = 0.0032573 k( 114) = ( 0.0722722 -0.2658448 0.4220084), wk = 0.0032573 k( 115) = ( 0.0657020 -0.2416771 0.4220084), wk = 0.0032573 k( 116) = ( 0.0591318 -0.2175094 0.4220084), wk = 0.0032573 k( 117) = ( 0.0525616 -0.1933417 0.4220084), wk = 0.0032573 k( 118) = ( 0.0459914 -0.1691740 0.4220084), wk = 0.0032573 k( 119) = ( 0.0394212 -0.1450063 0.4220084), wk = 0.0032573 k( 120) = ( 0.0328510 -0.1208385 0.4220084), wk = 0.0032573 k( 121) = ( 0.0262808 -0.0966709 0.4220084), wk = 0.0032573 k( 122) = ( 0.0197106 -0.0725031 0.4220084), wk = 0.0032573 k( 123) = ( 0.0131404 -0.0483354 0.4220084), wk = 0.0032573 k( 124) = ( 0.0065702 -0.0241677 0.4220084), wk = 0.0032573 k( 125) = ( 0.0000000 0.0000000 0.4220084), wk = 0.0032573 k( 126) = ( 0.0000000 0.0000000 0.4220084), wk = 0.0032573 k( 127) = ( 0.0243996 0.0066333 0.4220084), wk = 0.0032573 k( 128) = ( 0.0487993 0.0132665 0.4220084), wk = 0.0032573 k( 129) = ( 0.0731989 0.0198998 0.4220084), wk = 0.0032573 k( 130) = ( 0.0975986 0.0265330 0.4220084), wk = 0.0032573 k( 131) = ( 0.1219982 0.0331663 0.4220084), wk = 0.0032573 k( 132) = ( 0.1463978 0.0397995 0.4220084), wk = 0.0032573 k( 133) = ( 0.1707975 0.0464328 0.4220084), wk = 0.0032573 k( 134) = ( 0.1951971 0.0530660 0.4220084), wk = 0.0032573 k( 135) = ( 0.2195968 0.0596993 0.4220084), wk = 0.0032573 k( 136) = ( 0.2439964 0.0663325 0.4220084), wk = 0.0032573 k( 137) = ( 0.2683960 0.0729658 0.4220084), wk = 0.0032573 k( 138) = ( 0.2927957 0.0795990 0.4220084), wk = 0.0032573 k( 139) = ( 0.3171953 0.0862323 0.4220084), wk = 0.0032573 k( 140) = ( 0.3415949 0.0928655 0.4220084), wk = 0.0032573 k( 141) = ( 0.3659946 0.0994988 0.4220084), wk = 0.0032573 k( 142) = ( 0.3903942 0.1061320 0.4220084), wk = 0.0032573 k( 143) = ( 0.4147939 0.1127653 0.4220084), wk = 0.0032573 k( 144) = ( 0.4391935 0.1193985 0.4220084), wk = 0.0032573 k( 145) = ( 0.4635931 0.1260318 0.4220084), wk = 0.0032573 k( 146) = ( 0.4879928 0.1326650 0.4220084), wk = 0.0032573 k( 147) = ( 0.5000000 0.1359293 -0.4061335), wk = 0.0032573 k( 148) = ( 0.5064756 0.1121094 -0.4061335), wk = 0.0032573 k( 149) = ( 0.5129513 0.0882895 -0.4061335), wk = 0.0032573 k( 150) = ( 0.5194269 0.0644696 -0.4061335), wk = 0.0032573 k( 151) = ( 0.5259025 0.0406498 -0.4061335), wk = 0.0032573 k( 152) = ( 0.5323782 0.0168299 -0.4061335), wk = 0.0032573 k( 153) = ( 0.5388538 -0.0069900 -0.4061335), wk = 0.0032573 k( 154) = ( 0.5453295 -0.0308099 -0.4061335), wk = 0.0032573 k( 155) = ( 0.5518051 -0.0546297 -0.4061335), wk = 0.0032573 k( 156) = ( 0.5582807 -0.0784496 -0.4061335), wk = 0.0032573 k( 157) = ( 0.5647564 -0.1022695 -0.4061335), wk = 0.0032573 k( 158) = ( 0.5712320 -0.1260893 -0.4061335), wk = 0.0032573 k( 159) = ( 0.5777076 -0.1499092 -0.4061335), wk = 0.0032573 k( 160) = ( 0.5841833 -0.1737291 -0.4061335), wk = 0.0032573 k( 161) = ( 0.5906589 -0.1975490 -0.4061335), wk = 0.0032573 k( 162) = ( 0.5971346 -0.2213689 -0.4061335), wk = 0.0032573 k( 163) = ( 0.6036102 -0.2451887 -0.4061335), wk = 0.0032573 k( 164) = ( 0.6100858 -0.2690086 -0.4061335), wk = 0.0032573 k( 165) = ( 0.6165615 -0.2928285 -0.4061335), wk = 0.0032573 k( 166) = ( 0.6230371 -0.3166483 -0.4061335), wk = 0.0032573 k( 167) = ( 0.6295127 -0.3404682 -0.4061335), wk = 0.0032573 k( 168) = ( 0.6359884 -0.3642881 -0.4061335), wk = 0.0032573 k( 169) = ( 0.6424640 -0.3881080 -0.4061335), wk = 0.0032573 k( 170) = ( 0.6489396 -0.4119278 -0.4061335), wk = 0.0032573 k( 171) = ( 0.6554153 -0.4357477 -0.4061335), wk = 0.0032573 k( 172) = ( 0.6618909 -0.4595676 -0.4061335), wk = 0.0032573 k( 173) = ( 0.6683666 -0.4833875 -0.4061335), wk = 0.0032573 k( 174) = ( 0.6748422 -0.5072073 -0.4061335), wk = 0.0032573 k( 175) = ( 0.6813178 -0.5310272 -0.4061335), wk = 0.0032573 k( 176) = ( 0.6877935 -0.5548471 -0.4061335), wk = 0.0032573 k( 177) = ( 0.6942691 -0.5786670 -0.4061335), wk = 0.0032573 k( 178) = ( 0.7007447 -0.6024868 -0.4061335), wk = 0.0032573 k( 179) = ( 0.7072204 -0.6263067 -0.4061335), wk = 0.0032573 k( 180) = ( 0.7136960 -0.6501266 -0.4061335), wk = 0.0032573 k( 181) = ( 0.7201716 -0.6739465 -0.4061335), wk = 0.0032573 k( 182) = ( 0.2798284 -1.0293160 0.0000000), wk = 0.0032573 k( 183) = ( 0.2733207 -1.0053784 0.0000000), wk = 0.0032573 k( 184) = ( 0.2668131 -0.9814409 0.0000000), wk = 0.0032573 k( 185) = ( 0.2603054 -0.9575033 0.0000000), wk = 0.0032573 k( 186) = ( 0.2537978 -0.9335657 0.0000000), wk = 0.0032573 k( 187) = ( 0.2472902 -0.9096281 0.0000000), wk = 0.0032573 k( 188) = ( 0.2407825 -0.8856905 0.0000000), wk = 0.0032573 k( 189) = ( 0.2342749 -0.8617530 0.0000000), wk = 0.0032573 k( 190) = ( 0.2277673 -0.8378154 0.0000000), wk = 0.0032573 k( 191) = ( 0.2212596 -0.8138778 0.0000000), wk = 0.0032573 k( 192) = ( 0.2147520 -0.7899402 0.0000000), wk = 0.0032573 k( 193) = ( 0.2082444 -0.7660026 0.0000000), wk = 0.0032573 k( 194) = ( 0.2017367 -0.7420651 0.0000000), wk = 0.0032573 k( 195) = ( 0.1952291 -0.7181275 0.0000000), wk = 0.0032573 k( 196) = ( 0.1887215 -0.6941899 0.0000000), wk = 0.0032573 k( 197) = ( 0.1822138 -0.6702523 0.0000000), wk = 0.0032573 k( 198) = ( 0.1757062 -0.6463147 0.0000000), wk = 0.0032573 k( 199) = ( 0.1691985 -0.6223771 0.0000000), wk = 0.0032573 k( 200) = ( 0.1626909 -0.5984396 0.0000000), wk = 0.0032573 k( 201) = ( 0.1561833 -0.5745020 0.0000000), wk = 0.0032573 k( 202) = ( 0.1496756 -0.5505644 0.0000000), wk = 0.0032573 k( 203) = ( 0.1431680 -0.5266268 0.0000000), wk = 0.0032573 k( 204) = ( 0.1366604 -0.5026892 0.0000000), wk = 0.0032573 k( 205) = ( 0.1301527 -0.4787517 0.0000000), wk = 0.0032573 k( 206) = ( 0.1236451 -0.4548141 0.0000000), wk = 0.0032573 k( 207) = ( 0.1171375 -0.4308765 0.0000000), wk = 0.0032573 k( 208) = ( 0.1106298 -0.4069389 0.0000000), wk = 0.0032573 k( 209) = ( 0.1041222 -0.3830013 0.0000000), wk = 0.0032573 k( 210) = ( 0.0976145 -0.3590637 0.0000000), wk = 0.0032573 k( 211) = ( 0.0911069 -0.3351262 0.0000000), wk = 0.0032573 k( 212) = ( 0.0845993 -0.3111886 0.0000000), wk = 0.0032573 k( 213) = ( 0.0780916 -0.2872510 0.0000000), wk = 0.0032573 k( 214) = ( 0.0715840 -0.2633134 0.0000000), wk = 0.0032573 k( 215) = ( 0.0650764 -0.2393758 0.0000000), wk = 0.0032573 k( 216) = ( 0.0585687 -0.2154383 0.0000000), wk = 0.0032573 k( 217) = ( 0.0520611 -0.1915007 0.0000000), wk = 0.0032573 k( 218) = ( 0.0455535 -0.1675631 0.0000000), wk = 0.0032573 k( 219) = ( 0.0390458 -0.1436255 0.0000000), wk = 0.0032573 k( 220) = ( 0.0325382 -0.1196879 0.0000000), wk = 0.0032573 k( 221) = ( 0.0260305 -0.0957503 0.0000000), wk = 0.0032573 k( 222) = ( 0.0195229 -0.0718128 0.0000000), wk = 0.0032573 k( 223) = ( 0.0130153 -0.0478752 0.0000000), wk = 0.0032573 k( 224) = ( 0.0065076 -0.0239376 0.0000000), wk = 0.0032573 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 227) = ( 0.0125000 -0.0212908 -0.0050767), wk = 0.0032573 k( 228) = ( 0.0250000 -0.0425816 -0.0101533), wk = 0.0032573 k( 229) = ( 0.0375000 -0.0638723 -0.0152300), wk = 0.0032573 k( 230) = ( 0.0500000 -0.0851631 -0.0203067), wk = 0.0032573 k( 231) = ( 0.0625000 -0.1064539 -0.0253833), wk = 0.0032573 k( 232) = ( 0.0750000 -0.1277447 -0.0304600), wk = 0.0032573 k( 233) = ( 0.0875000 -0.1490355 -0.0355367), wk = 0.0032573 k( 234) = ( 0.1000000 -0.1703263 -0.0406133), wk = 0.0032573 k( 235) = ( 0.1125000 -0.1916170 -0.0456900), wk = 0.0032573 k( 236) = ( 0.1250000 -0.2129078 -0.0507667), wk = 0.0032573 k( 237) = ( 0.1375000 -0.2341986 -0.0558434), wk = 0.0032573 k( 238) = ( 0.1500000 -0.2554894 -0.0609200), wk = 0.0032573 k( 239) = ( 0.1625000 -0.2767802 -0.0659967), wk = 0.0032573 k( 240) = ( 0.1750000 -0.2980709 -0.0710734), wk = 0.0032573 k( 241) = ( 0.1875000 -0.3193617 -0.0761500), wk = 0.0032573 k( 242) = ( 0.2000000 -0.3406525 -0.0812267), wk = 0.0032573 k( 243) = ( 0.2125000 -0.3619433 -0.0863034), wk = 0.0032573 k( 244) = ( 0.2250000 -0.3832341 -0.0913800), wk = 0.0032573 k( 245) = ( 0.2375000 -0.4045248 -0.0964567), wk = 0.0032573 k( 246) = ( 0.2500000 -0.4258156 -0.1015334), wk = 0.0032573 k( 247) = ( 0.2625000 -0.4471064 -0.1066100), wk = 0.0032573 k( 248) = ( 0.2750000 -0.4683972 -0.1116867), wk = 0.0032573 k( 249) = ( 0.2875000 -0.4896880 -0.1167634), wk = 0.0032573 k( 250) = ( 0.3000000 -0.5109788 -0.1218400), wk = 0.0032573 k( 251) = ( 0.3125000 -0.5322695 -0.1269167), wk = 0.0032573 k( 252) = ( 0.3250000 -0.5535603 -0.1319934), wk = 0.0032573 k( 253) = ( 0.3375000 -0.5748511 -0.1370700), wk = 0.0032573 k( 254) = ( 0.3500000 -0.5961419 -0.1421467), wk = 0.0032573 k( 255) = ( 0.3625000 -0.6174327 -0.1472234), wk = 0.0032573 k( 256) = ( 0.3750000 -0.6387234 -0.1523001), wk = 0.0032573 k( 257) = ( 0.3875000 -0.6600142 -0.1573767), wk = 0.0032573 k( 258) = ( 0.4000000 -0.6813050 -0.1624534), wk = 0.0032573 k( 259) = ( 0.4125000 -0.7025958 -0.1675301), wk = 0.0032573 k( 260) = ( 0.4250000 -0.7238866 -0.1726067), wk = 0.0032573 k( 261) = ( 0.4375000 -0.7451773 -0.1776834), wk = 0.0032573 k( 262) = ( 0.4500000 -0.7664681 -0.1827601), wk = 0.0032573 k( 263) = ( 0.4625000 -0.7877589 -0.1878367), wk = 0.0032573 k( 264) = ( 0.4750000 -0.8090497 -0.1929134), wk = 0.0032573 k( 265) = ( 0.4875000 -0.8303405 -0.1979901), wk = 0.0032573 k( 266) = ( 0.5000000 -0.8516313 -0.2030667), wk = 0.0032573 k( 267) = ( 0.5000000 -0.8516313 0.2189416), wk = 0.0032573 k( 268) = ( 0.4875000 -0.8303405 0.2134681), wk = 0.0032573 k( 269) = ( 0.4750000 -0.8090497 0.2079945), wk = 0.0032573 k( 270) = ( 0.4625000 -0.7877589 0.2025210), wk = 0.0032573 k( 271) = ( 0.4500000 -0.7664681 0.1970475), wk = 0.0032573 k( 272) = ( 0.4375000 -0.7451773 0.1915739), wk = 0.0032573 k( 273) = ( 0.4250000 -0.7238866 0.1861004), wk = 0.0032573 k( 274) = ( 0.4125000 -0.7025958 0.1806268), wk = 0.0032573 k( 275) = ( 0.4000000 -0.6813050 0.1751533), wk = 0.0032573 k( 276) = ( 0.3875000 -0.6600142 0.1696798), wk = 0.0032573 k( 277) = ( 0.3750000 -0.6387234 0.1642062), wk = 0.0032573 k( 278) = ( 0.3625000 -0.6174327 0.1587327), wk = 0.0032573 k( 279) = ( 0.3500000 -0.5961419 0.1532591), wk = 0.0032573 k( 280) = ( 0.3375000 -0.5748511 0.1477856), wk = 0.0032573 k( 281) = ( 0.3250000 -0.5535603 0.1423121), wk = 0.0032573 k( 282) = ( 0.3125000 -0.5322695 0.1368385), wk = 0.0032573 k( 283) = ( 0.3000000 -0.5109788 0.1313650), wk = 0.0032573 k( 284) = ( 0.2875000 -0.4896880 0.1258914), wk = 0.0032573 k( 285) = ( 0.2750000 -0.4683972 0.1204179), wk = 0.0032573 k( 286) = ( 0.2625000 -0.4471064 0.1149443), wk = 0.0032573 k( 287) = ( 0.2500000 -0.4258156 0.1094708), wk = 0.0032573 k( 288) = ( 0.2375000 -0.4045248 0.1039973), wk = 0.0032573 k( 289) = ( 0.2250000 -0.3832341 0.0985237), wk = 0.0032573 k( 290) = ( 0.2125000 -0.3619433 0.0930502), wk = 0.0032573 k( 291) = ( 0.2000000 -0.3406525 0.0875766), wk = 0.0032573 k( 292) = ( 0.1875000 -0.3193617 0.0821031), wk = 0.0032573 k( 293) = ( 0.1750000 -0.2980709 0.0766296), wk = 0.0032573 k( 294) = ( 0.1625000 -0.2767802 0.0711560), wk = 0.0032573 k( 295) = ( 0.1500000 -0.2554894 0.0656825), wk = 0.0032573 k( 296) = ( 0.1375000 -0.2341986 0.0602089), wk = 0.0032573 k( 297) = ( 0.1250000 -0.2129078 0.0547354), wk = 0.0032573 k( 298) = ( 0.1125000 -0.1916170 0.0492619), wk = 0.0032573 k( 299) = ( 0.1000000 -0.1703263 0.0437883), wk = 0.0032573 k( 300) = ( 0.0875000 -0.1490355 0.0383148), wk = 0.0032573 k( 301) = ( 0.0750000 -0.1277447 0.0328412), wk = 0.0032573 k( 302) = ( 0.0625000 -0.1064539 0.0273677), wk = 0.0032573 k( 303) = ( 0.0500000 -0.0851631 0.0218942), wk = 0.0032573 k( 304) = ( 0.0375000 -0.0638723 0.0164206), wk = 0.0032573 k( 305) = ( 0.0250000 -0.0425816 0.0109471), wk = 0.0032573 k( 306) = ( 0.0125000 -0.0212908 0.0054735), wk = 0.0032573 k( 307) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0192308 0.0192308 0.0000000), wk = 0.0032573 k( 3) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0032573 k( 4) = ( 0.0576923 0.0576923 0.0000000), wk = 0.0032573 k( 5) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0032573 k( 6) = ( 0.0961538 0.0961538 -0.0000000), wk = 0.0032573 k( 7) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0032573 k( 8) = ( 0.1346154 0.1346154 0.0000000), wk = 0.0032573 k( 9) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0032573 k( 10) = ( 0.1730769 0.1730769 0.0000000), wk = 0.0032573 k( 11) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0032573 k( 12) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0032573 k( 13) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0032573 k( 14) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032573 k( 15) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0032573 k( 16) = ( 0.2884615 0.2884615 0.0000000), wk = 0.0032573 k( 17) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0032573 k( 18) = ( 0.3269231 0.3269231 0.0000000), wk = 0.0032573 k( 19) = ( 0.3461538 0.3461539 0.0000000), wk = 0.0032573 k( 20) = ( 0.3653846 0.3653846 0.0000000), wk = 0.0032573 k( 21) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0032573 k( 22) = ( 0.4038462 0.4038462 -0.0000000), wk = 0.0032573 k( 23) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0032573 k( 24) = ( 0.4423077 0.4423077 0.0000000), wk = 0.0032573 k( 25) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0032573 k( 26) = ( 0.4807692 0.4807692 -0.0000000), wk = 0.0032573 k( 27) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 28) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 29) = ( 0.5120072 0.5120072 0.0303643), wk = 0.0032573 k( 30) = ( 0.5120072 0.5120072 0.0303643), wk = 0.0032573 k( 31) = ( 0.5113009 0.5113009 0.0579899), wk = 0.0032573 k( 32) = ( 0.5105946 0.5105946 0.0856155), wk = 0.0032573 k( 33) = ( 0.5098883 0.5098883 0.1132412), wk = 0.0032573 k( 34) = ( 0.5091820 0.5091820 0.1408668), wk = 0.0032573 k( 35) = ( 0.5084757 0.5084757 0.1684924), wk = 0.0032573 k( 36) = ( 0.5077694 0.5077694 0.1961181), wk = 0.0032573 k( 37) = ( 0.5070631 0.5070631 0.2237437), wk = 0.0032573 k( 38) = ( 0.5063568 0.5063568 0.2513693), wk = 0.0032573 k( 39) = ( 0.5056505 0.5056505 0.2789950), wk = 0.0032573 k( 40) = ( 0.5049442 0.5049442 0.3066206), wk = 0.0032573 k( 41) = ( 0.5042378 0.5042378 0.3342462), wk = 0.0032573 k( 42) = ( 0.5035315 0.5035315 0.3618718), wk = 0.0032573 k( 43) = ( 0.5028252 0.5028252 0.3894975), wk = 0.0032573 k( 44) = ( 0.5021189 0.5021189 0.4171231), wk = 0.0032573 k( 45) = ( 0.5014126 0.5014126 0.4447487), wk = 0.0032573 k( 46) = ( 0.5007063 0.5007063 0.4723744), wk = 0.0032573 k( 47) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 48) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 49) = ( 0.5065882 0.4934118 0.5000000), wk = 0.0032573 k( 50) = ( 0.5131763 0.4868237 0.5000000), wk = 0.0032573 k( 51) = ( 0.5197645 0.4802355 0.5000000), wk = 0.0032573 k( 52) = ( 0.5263527 0.4736473 0.5000000), wk = 0.0032573 k( 53) = ( 0.5329408 0.4670592 0.5000000), wk = 0.0032573 k( 54) = ( 0.5395290 0.4604710 0.5000000), wk = 0.0032573 k( 55) = ( 0.5461172 0.4538828 0.5000000), wk = 0.0032573 k( 56) = ( 0.5527053 0.4472947 0.5000000), wk = 0.0032573 k( 57) = ( 0.5592935 0.4407065 0.5000000), wk = 0.0032573 k( 58) = ( 0.5658817 0.4341183 0.5000000), wk = 0.0032573 k( 59) = ( 0.5724699 0.4275301 0.5000000), wk = 0.0032573 k( 60) = ( 0.5790580 0.4209420 0.5000000), wk = 0.0032573 k( 61) = ( 0.5856462 0.4143538 0.5000000), wk = 0.0032573 k( 62) = ( 0.5922344 0.4077656 0.5000000), wk = 0.0032573 k( 63) = ( 0.5988225 0.4011775 0.5000000), wk = 0.0032573 k( 64) = ( 0.6054107 0.3945893 0.5000000), wk = 0.0032573 k( 65) = ( 0.6119989 0.3880011 0.5000000), wk = 0.0032573 k( 66) = ( 0.6185870 0.3814130 0.5000000), wk = 0.0032573 k( 67) = ( 0.6251752 0.3748248 0.5000000), wk = 0.0032573 k( 68) = ( 0.6317634 0.3682366 0.5000000), wk = 0.0032573 k( 69) = ( 0.6383515 0.3616485 0.5000000), wk = 0.0032573 k( 70) = ( 0.6449397 0.3550603 0.5000000), wk = 0.0032573 k( 71) = ( 0.6515279 0.3484721 0.5000000), wk = 0.0032573 k( 72) = ( 0.6581160 0.3418839 0.5000000), wk = 0.0032573 k( 73) = ( 0.6647042 0.3352958 0.5000000), wk = 0.0032573 k( 74) = ( 0.6712924 0.3287076 0.5000000), wk = 0.0032573 k( 75) = ( 0.6778806 0.3221194 0.5000000), wk = 0.0032573 k( 76) = ( 0.6844687 0.3155313 0.5000000), wk = 0.0032573 k( 77) = ( 0.6910569 0.3089431 0.5000000), wk = 0.0032573 k( 78) = ( 0.6976451 0.3023549 0.5000000), wk = 0.0032573 k( 79) = ( 0.7042332 0.2957668 0.5000000), wk = 0.0032573 k( 80) = ( 0.7108214 0.2891786 0.5000000), wk = 0.0032573 k( 81) = ( 0.7174096 0.2825904 0.5000000), wk = 0.0032573 k( 82) = ( 0.7239977 0.2760023 0.5000000), wk = 0.0032573 k( 83) = ( 0.7305859 0.2694141 0.5000000), wk = 0.0032573 k( 84) = ( 0.7371741 0.2628259 0.5000000), wk = 0.0032573 k( 85) = ( 0.7437622 0.2562377 0.5000000), wk = 0.0032573 k( 86) = ( 0.2562377 -0.2562377 0.5000000), wk = 0.0032573 k( 87) = ( 0.2496676 -0.2496676 0.5000000), wk = 0.0032573 k( 88) = ( 0.2430974 -0.2430974 0.5000000), wk = 0.0032573 k( 89) = ( 0.2365272 -0.2365272 0.5000000), wk = 0.0032573 k( 90) = ( 0.2299570 -0.2299570 0.5000000), wk = 0.0032573 k( 91) = ( 0.2233868 -0.2233868 0.5000000), wk = 0.0032573 k( 92) = ( 0.2168166 -0.2168166 0.5000000), wk = 0.0032573 k( 93) = ( 0.2102464 -0.2102464 0.5000000), wk = 0.0032573 k( 94) = ( 0.2036762 -0.2036762 0.5000000), wk = 0.0032573 k( 95) = ( 0.1971060 -0.1971060 0.5000000), wk = 0.0032573 k( 96) = ( 0.1905358 -0.1905358 0.5000000), wk = 0.0032573 k( 97) = ( 0.1839656 -0.1839656 0.5000000), wk = 0.0032573 k( 98) = ( 0.1773954 -0.1773954 0.5000000), wk = 0.0032573 k( 99) = ( 0.1708252 -0.1708252 0.5000000), wk = 0.0032573 k( 100) = ( 0.1642550 -0.1642550 0.5000000), wk = 0.0032573 k( 101) = ( 0.1576848 -0.1576848 0.5000000), wk = 0.0032573 k( 102) = ( 0.1511146 -0.1511146 0.5000000), wk = 0.0032573 k( 103) = ( 0.1445444 -0.1445444 0.5000000), wk = 0.0032573 k( 104) = ( 0.1379742 -0.1379742 0.5000000), wk = 0.0032573 k( 105) = ( 0.1314040 -0.1314040 0.5000000), wk = 0.0032573 k( 106) = ( 0.1248338 -0.1248338 0.5000000), wk = 0.0032573 k( 107) = ( 0.1182636 -0.1182636 0.5000000), wk = 0.0032573 k( 108) = ( 0.1116934 -0.1116934 0.5000000), wk = 0.0032573 k( 109) = ( 0.1051232 -0.1051232 0.5000000), wk = 0.0032573 k( 110) = ( 0.0985530 -0.0985530 0.5000000), wk = 0.0032573 k( 111) = ( 0.0919828 -0.0919828 0.5000000), wk = 0.0032573 k( 112) = ( 0.0854126 -0.0854126 0.5000000), wk = 0.0032573 k( 113) = ( 0.0788424 -0.0788424 0.5000000), wk = 0.0032573 k( 114) = ( 0.0722722 -0.0722722 0.5000000), wk = 0.0032573 k( 115) = ( 0.0657020 -0.0657020 0.5000000), wk = 0.0032573 k( 116) = ( 0.0591318 -0.0591318 0.5000000), wk = 0.0032573 k( 117) = ( 0.0525616 -0.0525616 0.5000000), wk = 0.0032573 k( 118) = ( 0.0459914 -0.0459914 0.5000000), wk = 0.0032573 k( 119) = ( 0.0394212 -0.0394212 0.5000000), wk = 0.0032573 k( 120) = ( 0.0328510 -0.0328510 0.5000000), wk = 0.0032573 k( 121) = ( 0.0262808 -0.0262808 0.5000000), wk = 0.0032573 k( 122) = ( 0.0197106 -0.0197106 0.5000000), wk = 0.0032573 k( 123) = ( 0.0131404 -0.0131404 0.5000000), wk = 0.0032573 k( 124) = ( 0.0065702 -0.0065702 0.5000000), wk = 0.0032573 k( 125) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032573 k( 126) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032573 k( 127) = ( 0.0243996 0.0243996 0.5234818), wk = 0.0032573 k( 128) = ( 0.0487993 0.0487993 0.5469636), wk = 0.0032573 k( 129) = ( 0.0731989 0.0731989 0.5704454), wk = 0.0032573 k( 130) = ( 0.0975986 0.0975986 0.5939271), wk = 0.0032573 k( 131) = ( 0.1219982 0.1219982 0.6174089), wk = 0.0032573 k( 132) = ( 0.1463978 0.1463978 0.6408907), wk = 0.0032573 k( 133) = ( 0.1707975 0.1707975 0.6643725), wk = 0.0032573 k( 134) = ( 0.1951971 0.1951971 0.6878543), wk = 0.0032573 k( 135) = ( 0.2195968 0.2195968 0.7113361), wk = 0.0032573 k( 136) = ( 0.2439964 0.2439964 0.7348179), wk = 0.0032573 k( 137) = ( 0.2683960 0.2683960 0.7582996), wk = 0.0032573 k( 138) = ( 0.2927957 0.2927957 0.7817814), wk = 0.0032573 k( 139) = ( 0.3171953 0.3171953 0.8052632), wk = 0.0032573 k( 140) = ( 0.3415949 0.3415949 0.8287450), wk = 0.0032573 k( 141) = ( 0.3659946 0.3659946 0.8522268), wk = 0.0032573 k( 142) = ( 0.3903942 0.3903942 0.8757086), wk = 0.0032573 k( 143) = ( 0.4147939 0.4147939 0.8991904), wk = 0.0032573 k( 144) = ( 0.4391935 0.4391935 0.9226722), wk = 0.0032573 k( 145) = ( 0.4635931 0.4635931 0.9461539), wk = 0.0032573 k( 146) = ( 0.4879928 0.4879928 0.9696357), wk = 0.0032573 k( 147) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 148) = ( 0.5064756 0.4935244 0.0000000), wk = 0.0032573 k( 149) = ( 0.5129513 0.4870487 -0.0000000), wk = 0.0032573 k( 150) = ( 0.5194269 0.4805731 -0.0000000), wk = 0.0032573 k( 151) = ( 0.5259025 0.4740975 -0.0000000), wk = 0.0032573 k( 152) = ( 0.5323782 0.4676218 -0.0000000), wk = 0.0032573 k( 153) = ( 0.5388538 0.4611462 -0.0000000), wk = 0.0032573 k( 154) = ( 0.5453295 0.4546705 -0.0000000), wk = 0.0032573 k( 155) = ( 0.5518051 0.4481949 0.0000000), wk = 0.0032573 k( 156) = ( 0.5582807 0.4417193 -0.0000000), wk = 0.0032573 k( 157) = ( 0.5647564 0.4352436 -0.0000000), wk = 0.0032573 k( 158) = ( 0.5712320 0.4287680 -0.0000000), wk = 0.0032573 k( 159) = ( 0.5777076 0.4222924 -0.0000000), wk = 0.0032573 k( 160) = ( 0.5841833 0.4158167 0.0000000), wk = 0.0032573 k( 161) = ( 0.5906589 0.4093411 0.0000000), wk = 0.0032573 k( 162) = ( 0.5971346 0.4028655 -0.0000000), wk = 0.0032573 k( 163) = ( 0.6036102 0.3963898 0.0000000), wk = 0.0032573 k( 164) = ( 0.6100858 0.3899142 0.0000000), wk = 0.0032573 k( 165) = ( 0.6165615 0.3834385 -0.0000000), wk = 0.0032573 k( 166) = ( 0.6230371 0.3769629 -0.0000000), wk = 0.0032573 k( 167) = ( 0.6295127 0.3704873 -0.0000000), wk = 0.0032573 k( 168) = ( 0.6359884 0.3640116 -0.0000000), wk = 0.0032573 k( 169) = ( 0.6424640 0.3575360 -0.0000000), wk = 0.0032573 k( 170) = ( 0.6489396 0.3510604 -0.0000000), wk = 0.0032573 k( 171) = ( 0.6554153 0.3445847 -0.0000000), wk = 0.0032573 k( 172) = ( 0.6618909 0.3381091 -0.0000000), wk = 0.0032573 k( 173) = ( 0.6683666 0.3316334 -0.0000000), wk = 0.0032573 k( 174) = ( 0.6748422 0.3251578 -0.0000000), wk = 0.0032573 k( 175) = ( 0.6813178 0.3186822 0.0000000), wk = 0.0032573 k( 176) = ( 0.6877935 0.3122065 0.0000000), wk = 0.0032573 k( 177) = ( 0.6942691 0.3057309 0.0000000), wk = 0.0032573 k( 178) = ( 0.7007447 0.2992553 -0.0000000), wk = 0.0032573 k( 179) = ( 0.7072204 0.2927796 0.0000000), wk = 0.0032573 k( 180) = ( 0.7136960 0.2863040 -0.0000000), wk = 0.0032573 k( 181) = ( 0.7201716 0.2798284 -0.0000000), wk = 0.0032573 k( 182) = ( 0.2798284 -0.2798284 -0.0000000), wk = 0.0032573 k( 183) = ( 0.2733207 -0.2733207 -0.0000000), wk = 0.0032573 k( 184) = ( 0.2668131 -0.2668131 -0.0000000), wk = 0.0032573 k( 185) = ( 0.2603054 -0.2603054 0.0000000), wk = 0.0032573 k( 186) = ( 0.2537978 -0.2537978 0.0000000), wk = 0.0032573 k( 187) = ( 0.2472902 -0.2472902 0.0000000), wk = 0.0032573 k( 188) = ( 0.2407825 -0.2407825 -0.0000000), wk = 0.0032573 k( 189) = ( 0.2342749 -0.2342749 0.0000000), wk = 0.0032573 k( 190) = ( 0.2277673 -0.2277673 0.0000000), wk = 0.0032573 k( 191) = ( 0.2212596 -0.2212596 0.0000000), wk = 0.0032573 k( 192) = ( 0.2147520 -0.2147520 -0.0000000), wk = 0.0032573 k( 193) = ( 0.2082444 -0.2082444 0.0000000), wk = 0.0032573 k( 194) = ( 0.2017367 -0.2017367 0.0000000), wk = 0.0032573 k( 195) = ( 0.1952291 -0.1952291 0.0000000), wk = 0.0032573 k( 196) = ( 0.1887215 -0.1887215 -0.0000000), wk = 0.0032573 k( 197) = ( 0.1822138 -0.1822138 -0.0000000), wk = 0.0032573 k( 198) = ( 0.1757062 -0.1757062 -0.0000000), wk = 0.0032573 k( 199) = ( 0.1691985 -0.1691985 -0.0000000), wk = 0.0032573 k( 200) = ( 0.1626909 -0.1626909 -0.0000000), wk = 0.0032573 k( 201) = ( 0.1561833 -0.1561833 -0.0000000), wk = 0.0032573 k( 202) = ( 0.1496756 -0.1496756 -0.0000000), wk = 0.0032573 k( 203) = ( 0.1431680 -0.1431680 0.0000000), wk = 0.0032573 k( 204) = ( 0.1366604 -0.1366604 -0.0000000), wk = 0.0032573 k( 205) = ( 0.1301527 -0.1301527 0.0000000), wk = 0.0032573 k( 206) = ( 0.1236451 -0.1236451 0.0000000), wk = 0.0032573 k( 207) = ( 0.1171375 -0.1171375 0.0000000), wk = 0.0032573 k( 208) = ( 0.1106298 -0.1106298 0.0000000), wk = 0.0032573 k( 209) = ( 0.1041222 -0.1041222 0.0000000), wk = 0.0032573 k( 210) = ( 0.0976145 -0.0976145 0.0000000), wk = 0.0032573 k( 211) = ( 0.0911069 -0.0911069 -0.0000000), wk = 0.0032573 k( 212) = ( 0.0845993 -0.0845993 -0.0000000), wk = 0.0032573 k( 213) = ( 0.0780916 -0.0780916 0.0000000), wk = 0.0032573 k( 214) = ( 0.0715840 -0.0715840 0.0000000), wk = 0.0032573 k( 215) = ( 0.0650764 -0.0650764 -0.0000000), wk = 0.0032573 k( 216) = ( 0.0585687 -0.0585687 -0.0000000), wk = 0.0032573 k( 217) = ( 0.0520611 -0.0520611 0.0000000), wk = 0.0032573 k( 218) = ( 0.0455535 -0.0455535 -0.0000000), wk = 0.0032573 k( 219) = ( 0.0390458 -0.0390458 0.0000000), wk = 0.0032573 k( 220) = ( 0.0325382 -0.0325382 -0.0000000), wk = 0.0032573 k( 221) = ( 0.0260305 -0.0260306 0.0000000), wk = 0.0032573 k( 222) = ( 0.0195229 -0.0195229 0.0000000), wk = 0.0032573 k( 223) = ( 0.0130153 -0.0130153 0.0000000), wk = 0.0032573 k( 224) = ( 0.0065076 -0.0065076 -0.0000000), wk = 0.0032573 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 227) = ( 0.0125000 -0.0000000 0.0000000), wk = 0.0032573 k( 228) = ( 0.0250000 -0.0000000 0.0000000), wk = 0.0032573 k( 229) = ( 0.0375000 0.0000000 -0.0000000), wk = 0.0032573 k( 230) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0032573 k( 231) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0032573 k( 232) = ( 0.0750000 0.0000000 -0.0000000), wk = 0.0032573 k( 233) = ( 0.0875000 -0.0000000 0.0000000), wk = 0.0032573 k( 234) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0032573 k( 235) = ( 0.1125000 0.0000000 0.0000000), wk = 0.0032573 k( 236) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0032573 k( 237) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0032573 k( 238) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0032573 k( 239) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0032573 k( 240) = ( 0.1750000 -0.0000000 0.0000000), wk = 0.0032573 k( 241) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0032573 k( 242) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0032573 k( 243) = ( 0.2125000 0.0000000 0.0000000), wk = 0.0032573 k( 244) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0032573 k( 245) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0032573 k( 246) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0032573 k( 247) = ( 0.2625000 -0.0000000 0.0000000), wk = 0.0032573 k( 248) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0032573 k( 249) = ( 0.2875000 -0.0000000 0.0000000), wk = 0.0032573 k( 250) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0032573 k( 251) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0032573 k( 252) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0032573 k( 253) = ( 0.3375000 0.0000000 0.0000000), wk = 0.0032573 k( 254) = ( 0.3500000 -0.0000000 0.0000000), wk = 0.0032573 k( 255) = ( 0.3625000 -0.0000000 -0.0000000), wk = 0.0032573 k( 256) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0032573 k( 257) = ( 0.3875000 0.0000000 -0.0000000), wk = 0.0032573 k( 258) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0032573 k( 259) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0032573 k( 260) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0032573 k( 261) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0032573 k( 262) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0032573 k( 263) = ( 0.4625000 -0.0000000 -0.0000000), wk = 0.0032573 k( 264) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0032573 k( 265) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0032573 k( 266) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032573 k( 268) = ( 0.4875000 -0.0000000 0.4875000), wk = 0.0032573 k( 269) = ( 0.4750000 0.0000000 0.4750000), wk = 0.0032573 k( 270) = ( 0.4625000 -0.0000000 0.4625000), wk = 0.0032573 k( 271) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0032573 k( 272) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0032573 k( 273) = ( 0.4250000 0.0000000 0.4250000), wk = 0.0032573 k( 274) = ( 0.4125000 0.0000000 0.4125000), wk = 0.0032573 k( 275) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0032573 k( 276) = ( 0.3875000 0.0000000 0.3875000), wk = 0.0032573 k( 277) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0032573 k( 278) = ( 0.3625000 -0.0000000 0.3625000), wk = 0.0032573 k( 279) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0032573 k( 280) = ( 0.3375000 0.0000000 0.3375000), wk = 0.0032573 k( 281) = ( 0.3250000 0.0000000 0.3250000), wk = 0.0032573 k( 282) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0032573 k( 283) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0032573 k( 284) = ( 0.2875000 -0.0000000 0.2875000), wk = 0.0032573 k( 285) = ( 0.2750000 0.0000000 0.2750000), wk = 0.0032573 k( 286) = ( 0.2625000 -0.0000000 0.2625000), wk = 0.0032573 k( 287) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.2375000 0.0000000 0.2375000), wk = 0.0032573 k( 289) = ( 0.2250000 0.0000000 0.2250000), wk = 0.0032573 k( 290) = ( 0.2125000 0.0000000 0.2125000), wk = 0.0032573 k( 291) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0032573 k( 292) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0032573 k( 293) = ( 0.1750000 -0.0000000 0.1750000), wk = 0.0032573 k( 294) = ( 0.1625000 0.0000000 0.1625000), wk = 0.0032573 k( 295) = ( 0.1500000 0.0000000 0.1500000), wk = 0.0032573 k( 296) = ( 0.1375000 0.0000000 0.1375000), wk = 0.0032573 k( 297) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0032573 k( 298) = ( 0.1125000 0.0000000 0.1125000), wk = 0.0032573 k( 299) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0032573 k( 300) = ( 0.0875000 -0.0000000 0.0875000), wk = 0.0032573 k( 301) = ( 0.0750000 0.0000000 0.0750000), wk = 0.0032573 k( 302) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0032573 k( 303) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0032573 k( 304) = ( 0.0375000 0.0000000 0.0375000), wk = 0.0032573 k( 305) = ( 0.0250000 -0.0000000 0.0250000), wk = 0.0032573 k( 306) = ( 0.0125000 -0.0000000 0.0125000), wk = 0.0032573 k( 307) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 Dense grid: 66825 G-vectors FFT dimensions: ( 60, 60, 90) Smooth grid: 62379 G-vectors FFT dimensions: ( 60, 60, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 238, 62) NL pseudopotentials 0.49 Mb ( 119, 272) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 923) G-vector shells 0.01 Mb ( 844) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.90 Mb ( 238, 248) Each subspace H/S matrix 0.03 Mb ( 41, 41) Each matrix 0.51 Mb ( 272, 2, 62) The potential is recalculated from file : ./TeI.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.3 secs Computing kpt #: 4 total cpu time spent up to now is 7.5 secs Computing kpt #: 5 total cpu time spent up to now is 8.9 secs Computing kpt #: 6 total cpu time spent up to now is 10.1 secs Computing kpt #: 7 total cpu time spent up to now is 11.4 secs Computing kpt #: 8 total cpu time spent up to now is 12.6 secs Computing kpt #: 9 total cpu time spent up to now is 13.8 secs Computing kpt #: 10 total cpu time spent up to now is 15.1 secs Computing kpt #: 11 total cpu time spent up to now is 16.4 secs Computing kpt #: 12 total cpu time spent up to now is 17.6 secs Computing kpt #: 13 total cpu time spent up to now is 18.9 secs Computing kpt #: 14 total cpu time spent up to now is 20.2 secs Computing kpt #: 15 total cpu time spent up to now is 21.6 secs Computing kpt #: 16 total cpu time spent up to now is 22.9 secs Computing kpt #: 17 total cpu time spent up to now is 24.3 secs Computing kpt #: 18 total cpu time spent up to now is 25.6 secs Computing kpt #: 19 total cpu time spent up to now is 27.0 secs Computing kpt #: 20 total cpu time spent up to now is 28.4 secs Computing kpt #: 21 total cpu time spent up to now is 29.7 secs Computing kpt #: 22 total cpu time spent up to now is 31.0 secs Computing kpt #: 23 total cpu time spent up to now is 32.3 secs Computing kpt #: 24 total cpu time spent up to now is 33.6 secs Computing kpt #: 25 total cpu time spent up to now is 34.9 secs Computing kpt #: 26 total cpu time spent up to now is 36.2 secs Computing kpt #: 27 total cpu time spent up to now is 37.4 secs Computing kpt #: 28 total cpu time spent up to now is 38.7 secs Computing kpt #: 29 total cpu time spent up to now is 40.0 secs Computing kpt #: 30 total cpu time spent up to now is 41.3 secs Computing kpt #: 31 total cpu time spent up to now is 42.7 secs Computing kpt #: 32 total cpu time spent up to now is 44.1 secs Computing kpt #: 33 total cpu time spent up to now is 45.4 secs Computing kpt #: 34 total cpu time spent up to now is 46.9 secs Computing kpt #: 35 total cpu time spent up to now is 48.2 secs Computing kpt #: 36 total cpu time spent up to now is 49.5 secs Computing kpt #: 37 total cpu time spent up to now is 50.7 secs Computing kpt #: 38 total cpu time spent up to now is 52.0 secs Computing kpt #: 39 total cpu time spent up to now is 53.3 secs Computing kpt #: 40 total cpu time spent up to now is 54.6 secs Computing kpt #: 41 total cpu time spent up to now is 55.9 secs Computing kpt #: 42 total cpu time spent up to now is 57.2 secs Computing kpt #: 43 total cpu time spent up to now is 58.4 secs Computing kpt #: 44 total cpu time spent up to now is 59.7 secs Computing kpt #: 45 total cpu time spent up to now is 61.0 secs Computing kpt #: 46 total cpu time spent up to now is 62.2 secs Computing kpt #: 47 total cpu time spent up to now is 63.8 secs Computing kpt #: 48 total cpu time spent up to now is 65.0 secs Computing kpt #: 49 total cpu time spent up to now is 66.3 secs Computing kpt #: 50 total cpu time spent up to now is 67.6 secs Computing kpt #: 51 total cpu time spent up to now is 68.9 secs Computing kpt #: 52 total cpu time spent up to now is 70.1 secs Computing kpt #: 53 total cpu time spent up to now is 71.4 secs Computing kpt #: 54 total cpu time spent up to now is 72.7 secs Computing kpt #: 55 total cpu time spent up to now is 74.0 secs Computing kpt #: 56 total cpu time spent up to now is 75.3 secs Computing kpt #: 57 total cpu time spent up to now is 76.6 secs Computing kpt #: 58 total cpu time spent up to now is 77.9 secs Computing kpt #: 59 total cpu time spent up to now is 79.2 secs Computing kpt #: 60 total cpu time spent up to now is 80.6 secs Computing kpt #: 61 total cpu time spent up to now is 81.9 secs Computing kpt #: 62 total cpu time spent up to now is 83.2 secs Computing kpt #: 63 total cpu time spent up to now is 84.5 secs Computing kpt #: 64 total cpu time spent up to now is 85.9 secs Computing kpt #: 65 total cpu time spent up to now is 87.2 secs Computing kpt #: 66 total cpu time spent up to now is 88.6 secs Computing kpt #: 67 total cpu time spent up to now is 89.9 secs Computing kpt #: 68 total cpu time spent up to now is 91.3 secs Computing kpt #: 69 total cpu time spent up to now is 92.8 secs Computing kpt #: 70 total cpu time spent up to now is 94.2 secs Computing kpt #: 71 total cpu time spent up to now is 95.6 secs Computing kpt #: 72 total cpu time spent up to now is 96.9 secs Computing kpt #: 73 total cpu time spent up to now is 98.4 secs Computing kpt #: 74 total cpu time spent up to now is 100.4 secs Computing kpt #: 75 total cpu time spent up to now is 101.8 secs Computing kpt #: 76 total cpu time spent up to now is 103.3 secs Computing kpt #: 77 total cpu time spent up to now is 104.6 secs Computing kpt #: 78 total cpu time spent up to now is 106.0 secs Computing kpt #: 79 total cpu time spent up to now is 107.4 secs Computing kpt #: 80 total cpu time spent up to now is 108.9 secs Computing kpt #: 81 total cpu time spent up to now is 110.3 secs Computing kpt #: 82 total cpu time spent up to now is 111.8 secs Computing kpt #: 83 total cpu time spent up to now is 113.1 secs Computing kpt #: 84 total cpu time spent up to now is 114.5 secs Computing kpt #: 85 total cpu time spent up to now is 115.9 secs Computing kpt #: 86 total cpu time spent up to now is 117.3 secs Computing kpt #: 87 total cpu time spent up to now is 118.8 secs Computing kpt #: 88 total cpu time spent up to now is 120.2 secs Computing kpt #: 89 total cpu time spent up to now is 121.6 secs Computing kpt #: 90 total cpu time spent up to now is 122.9 secs Computing kpt #: 91 total cpu time spent up to now is 124.3 secs Computing kpt #: 92 total cpu time spent up to now is 125.9 secs Computing kpt #: 93 total cpu time spent up to now is 127.4 secs Computing kpt #: 94 total cpu time spent up to now is 128.8 secs Computing kpt #: 95 total cpu time spent up to now is 130.2 secs Computing kpt #: 96 total cpu time spent up to now is 131.6 secs Computing kpt #: 97 total cpu time spent up to now is 133.1 secs Computing kpt #: 98 total cpu time spent up to now is 134.5 secs Computing kpt #: 99 total cpu time spent up to now is 135.9 secs Computing kpt #: 100 total cpu time spent up to now is 137.3 secs Computing kpt #: 101 total cpu time spent up to now is 138.6 secs Computing kpt #: 102 total cpu time spent up to now is 140.0 secs Computing kpt #: 103 total cpu time spent up to now is 141.5 secs Computing kpt #: 104 total cpu time spent up to now is 142.9 secs Computing kpt #: 105 total cpu time spent up to now is 144.3 secs Computing kpt #: 106 total cpu time spent up to now is 145.7 secs Computing kpt #: 107 total cpu time spent up to now is 147.1 secs Computing kpt #: 108 total cpu time spent up to now is 148.5 secs Computing kpt #: 109 total cpu time spent up to now is 149.8 secs Computing kpt #: 110 total cpu time spent up to now is 151.3 secs Computing kpt #: 111 total cpu time spent up to now is 152.6 secs Computing kpt #: 112 total cpu time spent up to now is 154.0 secs Computing kpt #: 113 total cpu time spent up to now is 155.5 secs Computing kpt #: 114 total cpu time spent up to now is 157.0 secs Computing kpt #: 115 total cpu time spent up to now is 158.4 secs Computing kpt #: 116 total cpu time spent up to now is 159.8 secs Computing kpt #: 117 total cpu time spent up to now is 161.1 secs Computing kpt #: 118 total cpu time spent up to now is 162.6 secs Computing kpt #: 119 total cpu time spent up to now is 163.9 secs Computing kpt #: 120 total cpu time spent up to now is 165.3 secs Computing kpt #: 121 total cpu time spent up to now is 166.7 secs Computing kpt #: 122 total cpu time spent up to now is 168.1 secs Computing kpt #: 123 total cpu time spent up to now is 169.6 secs Computing kpt #: 124 total cpu time spent up to now is 171.0 secs Computing kpt #: 125 total cpu time spent up to now is 172.4 secs Computing kpt #: 126 total cpu time spent up to now is 173.9 secs Computing kpt #: 127 total cpu time spent up to now is 175.3 secs Computing kpt #: 128 total cpu time spent up to now is 176.9 secs Computing kpt #: 129 total cpu time spent up to now is 178.4 secs Computing kpt #: 130 total cpu time spent up to now is 180.3 secs Computing kpt #: 131 total cpu time spent up to now is 182.0 secs Computing kpt #: 132 total cpu time spent up to now is 183.6 secs Computing kpt #: 133 total cpu time spent up to now is 185.2 secs Computing kpt #: 134 total cpu time spent up to now is 186.6 secs Computing kpt #: 135 total cpu time spent up to now is 188.0 secs Computing kpt #: 136 total cpu time spent up to now is 189.4 secs Computing kpt #: 137 total cpu time spent up to now is 190.8 secs Computing kpt #: 138 total cpu time spent up to now is 192.1 secs Computing kpt #: 139 total cpu time spent up to now is 193.7 secs Computing kpt #: 140 total cpu time spent up to now is 195.2 secs Computing kpt #: 141 total cpu time spent up to now is 196.7 secs Computing kpt #: 142 total cpu time spent up to now is 198.1 secs Computing kpt #: 143 total cpu time spent up to now is 199.5 secs Computing kpt #: 144 total cpu time spent up to now is 201.0 secs Computing kpt #: 145 total cpu time spent up to now is 202.4 secs Computing kpt #: 146 total cpu time spent up to now is 203.7 secs Computing kpt #: 147 total cpu time spent up to now is 205.1 secs Computing kpt #: 148 total cpu time spent up to now is 206.5 secs Computing kpt #: 149 total cpu time spent up to now is 207.8 secs Computing kpt #: 150 total cpu time spent up to now is 209.2 secs Computing kpt #: 151 total cpu time spent up to now is 210.6 secs Computing kpt #: 152 total cpu time spent up to now is 212.1 secs Computing kpt #: 153 total cpu time spent up to now is 213.5 secs Computing kpt #: 154 total cpu time spent up to now is 214.9 secs Computing kpt #: 155 total cpu time spent up to now is 216.3 secs Computing kpt #: 156 total cpu time spent up to now is 217.8 secs Computing kpt #: 157 total cpu time spent up to now is 219.5 secs Computing kpt #: 158 total cpu time spent up to now is 221.3 secs Computing kpt #: 159 total cpu time spent up to now is 223.0 secs Computing kpt #: 160 total cpu time spent up to now is 224.8 secs Computing kpt #: 161 total cpu time spent up to now is 226.6 secs Computing kpt #: 162 total cpu time spent up to now is 228.2 secs Computing kpt #: 163 total cpu time spent up to now is 229.7 secs Computing kpt #: 164 total cpu time spent up to now is 231.2 secs Computing kpt #: 165 total cpu time spent up to now is 232.7 secs Computing kpt #: 166 total cpu time spent up to now is 234.3 secs Computing kpt #: 167 total cpu time spent up to now is 235.8 secs Computing kpt #: 168 total cpu time spent up to now is 237.2 secs Computing kpt #: 169 total cpu time spent up to now is 238.7 secs Computing kpt #: 170 total cpu time spent up to now is 240.1 secs Computing kpt #: 171 total cpu time spent up to now is 241.6 secs Computing kpt #: 172 total cpu time spent up to now is 243.0 secs Computing kpt #: 173 total cpu time spent up to now is 244.3 secs Computing kpt #: 174 total cpu time spent up to now is 245.8 secs Computing kpt #: 175 total cpu time spent up to now is 247.3 secs Computing kpt #: 176 total cpu time spent up to now is 248.6 secs Computing kpt #: 177 total cpu time spent up to now is 250.1 secs Computing kpt #: 178 total cpu time spent up to now is 251.5 secs Computing kpt #: 179 total cpu time spent up to now is 253.0 secs Computing kpt #: 180 total cpu time spent up to now is 254.4 secs Computing kpt #: 181 total cpu time spent up to now is 256.0 secs Computing kpt #: 182 total cpu time spent up to now is 257.5 secs Computing kpt #: 183 total cpu time spent up to now is 259.0 secs Computing kpt #: 184 total cpu time spent up to now is 260.4 secs Computing kpt #: 185 total cpu time spent up to now is 261.9 secs Computing kpt #: 186 total cpu time spent up to now is 263.3 secs Computing kpt #: 187 total cpu time spent up to now is 264.7 secs Computing kpt #: 188 total cpu time spent up to now is 266.1 secs Computing kpt #: 189 total cpu time spent up to now is 267.5 secs Computing kpt #: 190 total cpu time spent up to now is 268.9 secs Computing kpt #: 191 total cpu time spent up to now is 270.4 secs Computing kpt #: 192 total cpu time spent up to now is 271.8 secs Computing kpt #: 193 total cpu time spent up to now is 273.2 secs Computing kpt #: 194 total cpu time spent up to now is 274.6 secs Computing kpt #: 195 total cpu time spent up to now is 275.9 secs Computing kpt #: 196 total cpu time spent up to now is 277.3 secs Computing kpt #: 197 total cpu time spent up to now is 278.6 secs Computing kpt #: 198 total cpu time spent up to now is 280.0 secs Computing kpt #: 199 total cpu time spent up to now is 281.3 secs Computing kpt #: 200 total cpu time spent up to now is 282.7 secs Computing kpt #: 201 total cpu time spent up to now is 284.2 secs Computing kpt #: 202 total cpu time spent up to now is 285.5 secs Computing kpt #: 203 total cpu time spent up to now is 286.9 secs Computing kpt #: 204 total cpu time spent up to now is 288.3 secs Computing kpt #: 205 total cpu time spent up to now is 289.6 secs Computing kpt #: 206 total cpu time spent up to now is 291.0 secs Computing kpt #: 207 total cpu time spent up to now is 292.7 secs Computing kpt #: 208 total cpu time spent up to now is 294.0 secs Computing kpt #: 209 total cpu time spent up to now is 295.4 secs Computing kpt #: 210 total cpu time spent up to now is 296.7 secs Computing kpt #: 211 total cpu time spent up to now is 298.0 secs Computing kpt #: 212 total cpu time spent up to now is 299.4 secs Computing kpt #: 213 total cpu time spent up to now is 300.7 secs Computing kpt #: 214 total cpu time spent up to now is 302.1 secs Computing kpt #: 215 total cpu time spent up to now is 303.5 secs Computing kpt #: 216 total cpu time spent up to now is 304.8 secs Computing kpt #: 217 total cpu time spent up to now is 306.1 secs Computing kpt #: 218 total cpu time spent up to now is 307.4 secs Computing kpt #: 219 total cpu time spent up to now is 308.7 secs Computing kpt #: 220 total cpu time spent up to now is 310.0 secs Computing kpt #: 221 total cpu time spent up to now is 311.3 secs Computing kpt #: 222 total cpu time spent up to now is 312.6 secs Computing kpt #: 223 total cpu time spent up to now is 313.9 secs Computing kpt #: 224 total cpu time spent up to now is 315.3 secs Computing kpt #: 225 total cpu time spent up to now is 316.4 secs Computing kpt #: 226 total cpu time spent up to now is 317.7 secs Computing kpt #: 227 total cpu time spent up to now is 319.0 secs Computing kpt #: 228 total cpu time spent up to now is 320.3 secs Computing kpt #: 229 total cpu time spent up to now is 321.6 secs Computing kpt #: 230 total cpu time spent up to now is 322.8 secs Computing kpt #: 231 total cpu time spent up to now is 324.1 secs Computing kpt #: 232 total cpu time spent up to now is 325.3 secs Computing kpt #: 233 total cpu time spent up to now is 326.6 secs Computing kpt #: 234 total cpu time spent up to now is 327.8 secs Computing kpt #: 235 total cpu time spent up to now is 329.2 secs Computing kpt #: 236 total cpu time spent up to now is 331.9 secs Computing kpt #: 237 total cpu time spent up to now is 333.2 secs Computing kpt #: 238 total cpu time spent up to now is 334.5 secs Computing kpt #: 239 total cpu time spent up to now is 335.7 secs Computing kpt #: 240 total cpu time spent up to now is 337.0 secs Computing kpt #: 241 total cpu time spent up to now is 338.4 secs Computing kpt #: 242 total cpu time spent up to now is 339.8 secs Computing kpt #: 243 total cpu time spent up to now is 341.2 secs Computing kpt #: 244 total cpu time spent up to now is 342.6 secs Computing kpt #: 245 total cpu time spent up to now is 344.0 secs Computing kpt #: 246 total cpu time spent up to now is 345.4 secs Computing kpt #: 247 total cpu time spent up to now is 346.8 secs Computing kpt #: 248 total cpu time spent up to now is 348.7 secs Computing kpt #: 249 total cpu time spent up to now is 350.2 secs Computing kpt #: 250 total cpu time spent up to now is 351.5 secs Computing kpt #: 251 total cpu time spent up to now is 352.9 secs Computing kpt #: 252 total cpu time spent up to now is 354.3 secs Computing kpt #: 253 total cpu time spent up to now is 355.6 secs Computing kpt #: 254 total cpu time spent up to now is 357.1 secs Computing kpt #: 255 total cpu time spent up to now is 358.4 secs Computing kpt #: 256 total cpu time spent up to now is 359.9 secs Computing kpt #: 257 total cpu time spent up to now is 361.3 secs Computing kpt #: 258 total cpu time spent up to now is 362.7 secs Computing kpt #: 259 total cpu time spent up to now is 364.1 secs Computing kpt #: 260 total cpu time spent up to now is 365.5 secs Computing kpt #: 261 total cpu time spent up to now is 366.9 secs Computing kpt #: 262 total cpu time spent up to now is 368.2 secs Computing kpt #: 263 total cpu time spent up to now is 369.6 secs Computing kpt #: 264 total cpu time spent up to now is 371.0 secs Computing kpt #: 265 total cpu time spent up to now is 372.3 secs Computing kpt #: 266 total cpu time spent up to now is 373.6 secs Computing kpt #: 267 total cpu time spent up to now is 374.9 secs Computing kpt #: 268 total cpu time spent up to now is 376.3 secs Computing kpt #: 269 total cpu time spent up to now is 377.6 secs Computing kpt #: 270 total cpu time spent up to now is 378.9 secs Computing kpt #: 271 total cpu time spent up to now is 380.2 secs Computing kpt #: 272 total cpu time spent up to now is 381.5 secs Computing kpt #: 273 total cpu time spent up to now is 382.9 secs Computing kpt #: 274 total cpu time spent up to now is 384.2 secs Computing kpt #: 275 total cpu time spent up to now is 385.7 secs Computing kpt #: 276 total cpu time spent up to now is 387.1 secs Computing kpt #: 277 total cpu time spent up to now is 388.5 secs Computing kpt #: 278 total cpu time spent up to now is 389.9 secs Computing kpt #: 279 total cpu time spent up to now is 391.2 secs Computing kpt #: 280 total cpu time spent up to now is 392.6 secs Computing kpt #: 281 total cpu time spent up to now is 394.1 secs Computing kpt #: 282 total cpu time spent up to now is 395.5 secs Computing kpt #: 283 total cpu time spent up to now is 396.9 secs Computing kpt #: 284 total cpu time spent up to now is 398.3 secs Computing kpt #: 285 total cpu time spent up to now is 399.8 secs Computing kpt #: 286 total cpu time spent up to now is 401.2 secs Computing kpt #: 287 total cpu time spent up to now is 402.5 secs Computing kpt #: 288 total cpu time spent up to now is 403.9 secs Computing kpt #: 289 total cpu time spent up to now is 405.2 secs Computing kpt #: 290 total cpu time spent up to now is 406.5 secs Computing kpt #: 291 total cpu time spent up to now is 407.9 secs Computing kpt #: 292 total cpu time spent up to now is 409.2 secs Computing kpt #: 293 total cpu time spent up to now is 410.6 secs Computing kpt #: 294 total cpu time spent up to now is 411.9 secs Computing kpt #: 295 total cpu time spent up to now is 413.2 secs Computing kpt #: 296 total cpu time spent up to now is 414.5 secs Computing kpt #: 297 total cpu time spent up to now is 415.8 secs Computing kpt #: 298 total cpu time spent up to now is 417.0 secs Computing kpt #: 299 total cpu time spent up to now is 418.2 secs Computing kpt #: 300 total cpu time spent up to now is 419.5 secs Computing kpt #: 301 total cpu time spent up to now is 420.7 secs Computing kpt #: 302 total cpu time spent up to now is 422.1 secs Computing kpt #: 303 total cpu time spent up to now is 423.3 secs Computing kpt #: 304 total cpu time spent up to now is 424.5 secs Computing kpt #: 305 total cpu time spent up to now is 425.8 secs Computing kpt #: 306 total cpu time spent up to now is 427.0 secs Computing kpt #: 307 total cpu time spent up to now is 428.4 secs ethr = 1.92E-08, avg # of iterations = 16.4 total cpu time spent up to now is 428.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7819 PWs) bands (ev): -9.2485 -9.2485 -8.7790 -8.7790 -8.1246 -8.1246 -7.9491 -7.9491 -7.3659 -7.3659 -6.9694 -6.9694 -5.1828 -5.1828 -4.9905 -4.9905 -0.1319 -0.1319 0.2138 0.2138 0.8317 0.8317 1.2387 1.2387 1.2502 1.2502 1.3928 1.3928 1.5285 1.5285 1.6192 1.6192 1.9731 1.9731 2.3069 2.3069 2.5102 2.5102 2.7249 2.7249 2.7655 2.7655 3.4372 3.4372 3.6159 3.6159 4.0907 4.0907 4.0913 4.0913 4.1897 4.1897 5.4864 5.4864 5.6417 5.6417 6.2384 6.2384 6.3853 6.3853 6.3998 6.3998 k = 0.0192 0.0052-0.0156 ( 7826 PWs) bands (ev): -9.2477 -9.2477 -8.7795 -8.7795 -8.1259 -8.1259 -7.9490 -7.9490 -7.3645 -7.3645 -6.9709 -6.9709 -5.1826 -5.1826 -4.9887 -4.9887 -0.1336 -0.1336 0.2116 0.2116 0.8293 0.8293 1.2378 1.2378 1.2452 1.2452 1.3949 1.3949 1.5247 1.5247 1.6275 1.6275 1.9746 1.9746 2.2988 2.2988 2.5186 2.5186 2.7310 2.7310 2.7697 2.7697 3.4340 3.4340 3.6187 3.6187 4.0716 4.0716 4.1117 4.1117 4.1883 4.1883 5.4842 5.4842 5.6400 5.6400 6.2333 6.2333 6.3803 6.3803 6.3996 6.3996 k = 0.0385 0.0105-0.0312 ( 7818 PWs) bands (ev): -9.2453 -9.2453 -8.7811 -8.7811 -8.1296 -8.1296 -7.9485 -7.9485 -7.3605 -7.3605 -6.9750 -6.9750 -5.1820 -5.1820 -4.9832 -4.9832 -0.1386 -0.1386 0.2055 0.2055 0.8219 0.8219 1.2220 1.2220 1.2438 1.2438 1.4003 1.4003 1.5192 1.5192 1.6468 1.6468 1.9779 1.9779 2.2817 2.2817 2.5378 2.5378 2.7489 2.7489 2.7824 2.7824 3.4255 3.4255 3.6263 3.6263 4.0533 4.0533 4.1335 4.1335 4.1844 4.1844 5.4775 5.4775 5.6348 5.6348 6.2181 6.2181 6.3670 6.3670 6.3976 6.3976 k = 0.0577 0.0157-0.0469 ( 7814 PWs) bands (ev): -9.2414 -9.2414 -8.7836 -8.7836 -8.1358 -8.1358 -7.9480 -7.9480 -7.3540 -7.3540 -6.9818 -6.9818 -5.1808 -5.1808 -4.9742 -4.9742 -0.1473 -0.1473 0.1965 0.1965 0.8098 0.8098 1.1947 1.1947 1.2428 1.2428 1.4075 1.4075 1.5202 1.5202 1.6687 1.6687 1.9801 1.9801 2.2692 2.2692 2.5588 2.5588 2.7763 2.7763 2.8044 2.8044 3.4134 3.4134 3.6365 3.6365 4.0362 4.0362 4.1549 4.1549 4.1795 4.1795 5.4666 5.4666 5.6262 5.6262 6.1934 6.1934 6.3474 6.3474 6.3925 6.3925 k = 0.0769 0.0209-0.0625 ( 7799 PWs) bands (ev): -9.2360 -9.2360 -8.7871 -8.7871 -8.1440 -8.1440 -7.9476 -7.9476 -7.3451 -7.3451 -6.9909 -6.9909 -5.1790 -5.1790 -4.9623 -4.9623 -0.1602 -0.1602 0.1862 0.1862 0.7929 0.7929 1.1619 1.1619 1.2364 1.2364 1.4149 1.4149 1.5325 1.5325 1.6874 1.6874 1.9798 1.9798 2.2707 2.2707 2.5783 2.5783 2.8078 2.8078 2.8376 2.8376 3.3999 3.3999 3.6474 3.6474 4.0200 4.0200 4.1617 4.1617 4.1881 4.1881 5.4520 5.4520 5.6140 5.6140 6.1597 6.1597 6.3232 6.3232 6.3841 6.3841 k = 0.0962 0.0261-0.0781 ( 7806 PWs) bands (ev): -9.2291 -9.2291 -8.7914 -8.7914 -8.1539 -8.1539 -7.9476 -7.9476 -7.3342 -7.3342 -7.0018 -7.0018 -5.1764 -5.1764 -4.9478 -4.9478 -0.1774 -0.1774 0.1760 0.1760 0.7715 0.7715 1.1261 1.1261 1.2242 1.2242 1.4200 1.4200 1.5563 1.5563 1.6994 1.6994 1.9804 1.9804 2.2886 2.2886 2.5964 2.5964 2.8403 2.8403 2.8800 2.8800 3.3866 3.3866 3.6571 3.6571 4.0047 4.0047 4.1523 4.1523 4.2118 4.2118 5.4342 5.4342 5.5982 5.5982 6.1183 6.1183 6.2959 6.2959 6.3721 6.3721 k = 0.1154 0.0314-0.0937 ( 7806 PWs) bands (ev): -9.2207 -9.2207 -8.7964 -8.7964 -8.1654 -8.1654 -7.9484 -7.9484 -7.3215 -7.3215 -7.0142 -7.0142 -5.1729 -5.1729 -4.9312 -4.9312 -0.1990 -0.1990 0.1668 0.1668 0.7461 0.7461 1.0889 1.0889 1.2082 1.2082 1.4212 1.4212 1.5845 1.5845 1.7076 1.7076 1.9878 1.9878 2.3201 2.3201 2.6148 2.6148 2.8752 2.8752 2.9260 2.9260 3.3750 3.3750 3.6644 3.6644 3.9900 3.9900 4.1397 4.1397 4.2374 4.2374 5.4140 5.4140 5.5787 5.5787 6.0706 6.0706 6.2666 6.2666 6.3565 6.3565 k = 0.1346 0.0366-0.1093 ( 7804 PWs) bands (ev): -9.2109 -9.2109 -8.8019 -8.8019 -8.1780 -8.1780 -7.9502 -7.9502 -7.3074 -7.3074 -7.0275 -7.0275 -5.1684 -5.1684 -4.9131 -4.9131 -0.2244 -0.2244 0.1590 0.1590 0.7172 0.7172 1.0513 1.0513 1.1905 1.1905 1.4186 1.4186 1.5993 1.5993 1.7279 1.7279 2.0049 2.0049 2.3606 2.3606 2.6345 2.6345 2.9131 2.9131 2.9713 2.9713 3.3664 3.3664 3.6688 3.6688 3.9756 3.9756 4.1259 4.1259 4.2625 4.2625 5.3921 5.3921 5.5558 5.5558 6.0189 6.0189 6.2363 6.2363 6.3372 6.3372 k = 0.1538 0.0418-0.1250 ( 7811 PWs) bands (ev): -9.1998 -9.1998 -8.8079 -8.8079 -8.1915 -8.1915 -7.9534 -7.9534 -7.2923 -7.2923 -7.0411 -7.0411 -5.1628 -5.1628 -4.8939 -4.8939 -0.2528 -0.2528 0.1524 0.1524 0.6855 0.6855 1.0140 1.0140 1.1726 1.1726 1.4127 1.4127 1.5901 1.5901 1.7728 1.7728 2.0305 2.0305 2.4060 2.4060 2.6563 2.6563 2.9539 2.9539 3.0133 3.0133 3.3620 3.3620 3.6700 3.6700 3.9614 3.9614 4.1116 4.1116 4.2854 4.2854 5.3694 5.3694 5.5295 5.5295 5.9652 5.9652 6.2054 6.2054 6.3143 6.3143 k = 0.1731 0.0471-0.1406 ( 7801 PWs) bands (ev): -9.1875 -9.1875 -8.8141 -8.8141 -8.2055 -8.2055 -7.9583 -7.9583 -7.2764 -7.2764 -7.0546 -7.0546 -5.1562 -5.1562 -4.8741 -4.8741 -0.2832 -0.2832 0.1463 0.1463 0.6518 0.6518 0.9772 0.9772 1.1556 1.1556 1.4042 1.4042 1.5681 1.5681 1.8339 1.8339 2.0619 2.0619 2.4531 2.4531 2.6808 2.6808 2.9969 2.9969 3.0503 3.0503 3.3632 3.3632 3.6681 3.6681 3.9470 3.9470 4.0976 4.0976 4.3043 4.3043 5.3466 5.3466 5.4999 5.4999 5.9119 5.9119 6.1744 6.1744 6.2882 6.2882 k = 0.1923 0.0523-0.1562 ( 7799 PWs) bands (ev): -9.1741 -9.1741 -8.8204 -8.8204 -8.2198 -8.2198 -7.9653 -7.9653 -7.2601 -7.2601 -7.0673 -7.0673 -5.1486 -5.1486 -4.8543 -4.8543 -0.3147 -0.3147 0.1399 0.1399 0.6168 0.6168 0.9410 0.9410 1.1400 1.1400 1.3940 1.3940 1.5436 1.5436 1.9030 1.9030 2.0967 2.0967 2.4989 2.4989 2.7083 2.7083 3.0410 3.0410 3.0822 3.0822 3.3705 3.3705 3.6635 3.6635 3.9322 3.9322 4.0844 4.0844 4.3175 4.3175 5.3244 5.3244 5.4673 5.4673 5.8611 5.8611 6.1436 6.1436 6.2591 6.2591 k = 0.2115 0.0575-0.1718 ( 7804 PWs) bands (ev): -9.1597 -9.1597 -8.8266 -8.8266 -8.2341 -8.2341 -7.9745 -7.9745 -7.2436 -7.2436 -7.0789 -7.0789 -5.1400 -5.1400 -4.8347 -4.8347 -0.3463 -0.3463 0.1325 0.1325 0.5814 0.5814 0.9049 0.9049 1.1259 1.1259 1.3837 1.3837 1.5216 1.5216 1.9759 1.9759 2.1336 2.1336 2.5409 2.5409 2.7390 2.7390 3.0822 3.0822 3.1125 3.1125 3.3837 3.3837 3.6570 3.6570 3.9172 3.9172 4.0724 4.0724 4.3235 4.3235 5.3028 5.3028 5.4321 5.4321 5.8149 5.8149 6.1134 6.1134 6.2274 6.2274 k = 0.2308 0.0627-0.1874 ( 7795 PWs) bands (ev): -9.1445 -9.1445 -8.8325 -8.8325 -8.2482 -8.2482 -7.9861 -7.9861 -7.2274 -7.2274 -7.0891 -7.0891 -5.1305 -5.1305 -4.8158 -4.8158 -0.3773 -0.3773 0.1236 0.1236 0.5461 0.5461 0.8685 0.8685 1.1130 1.1130 1.3759 1.3759 1.5034 1.5034 2.0505 2.0505 2.1714 2.1714 2.5770 2.5770 2.7726 2.7726 3.1122 3.1122 3.1505 3.1505 3.4017 3.4017 3.6495 3.6495 3.9019 3.9019 4.0619 4.0619 4.3214 4.3214 5.2812 5.2812 5.3947 5.3947 5.7751 5.7751 6.0840 6.0840 6.1937 6.1937 k = 0.2500 0.0680-0.2031 ( 7790 PWs) bands (ev): -9.1288 -9.1288 -8.8379 -8.8379 -8.2620 -8.2620 -8.0000 -8.0000 -7.2115 -7.2115 -7.0975 -7.0975 -5.1202 -5.1202 -4.7980 -4.7980 -0.4070 -0.4070 0.1128 0.1128 0.5116 0.5116 0.8315 0.8315 1.1010 1.1010 1.3734 1.3734 1.4891 1.4891 2.1248 2.1248 2.2097 2.2097 2.6053 2.6053 2.8085 2.8085 3.1335 3.1335 3.1949 3.1949 3.4226 3.4226 3.6424 3.6424 3.8867 3.8867 4.0530 4.0530 4.3113 4.3113 5.2585 5.2585 5.3555 5.3555 5.7430 5.7430 6.0557 6.0557 6.1582 6.1582 k = 0.2692 0.0732-0.2187 ( 7786 PWs) bands (ev): -9.1127 -9.1127 -8.8427 -8.8427 -8.2753 -8.2753 -8.0163 -8.0163 -7.1963 -7.1963 -7.1040 -7.1040 -5.1093 -5.1093 -4.7814 -4.7814 -0.4349 -0.4349 0.1003 0.1003 0.4783 0.4783 0.7937 0.7937 1.0894 1.0894 1.3784 1.3784 1.4782 1.4782 2.1971 2.1971 2.2482 2.2482 2.6248 2.6248 2.8456 2.8456 3.1532 3.1532 3.2392 3.2392 3.4448 3.4448 3.6373 3.6373 3.8718 3.8718 4.0461 4.0461 4.2939 4.2939 5.2333 5.2333 5.3150 5.3150 5.7190 5.7190 6.0287 6.0287 6.1217 6.1217 k = 0.2885 0.0784-0.2343 ( 7788 PWs) bands (ev): -9.0966 -9.0966 -8.8466 -8.8466 -8.2878 -8.2878 -8.0346 -8.0346 -7.1820 -7.1820 -7.1086 -7.1086 -5.0978 -5.0978 -4.7663 -4.7663 -0.4607 -0.4607 0.0862 0.0862 0.4468 0.4468 0.7551 0.7551 1.0779 1.0779 1.3919 1.3919 1.4702 1.4702 2.2650 2.2650 2.2876 2.2876 2.6350 2.6350 2.8827 2.8827 3.1744 3.1744 3.2793 3.2793 3.4674 3.4674 3.6363 3.6363 3.8575 3.8575 4.0413 4.0413 4.2711 4.2711 5.2047 5.2047 5.2739 5.2739 5.7021 5.7021 6.0030 6.0030 6.0847 6.0847 k = 0.3077 0.0836-0.2499 ( 7791 PWs) bands (ev): -9.0809 -9.0809 -8.8493 -8.8493 -8.2994 -8.2994 -8.0546 -8.0546 -7.1687 -7.1687 -7.1114 -7.1114 -5.0859 -5.0859 -4.7529 -4.7529 -0.4842 -0.4842 0.0710 0.0710 0.4174 0.4174 0.7164 0.7164 1.0663 1.0663 1.4127 1.4127 1.4662 1.4662 2.3175 2.3175 2.3369 2.3369 2.6363 2.6363 2.9189 2.9189 3.1973 3.1973 3.3124 3.3124 3.4910 3.4910 3.6408 3.6408 3.8440 3.8440 4.0388 4.0388 4.2448 4.2448 5.1722 5.1722 5.2327 5.2327 5.6903 5.6903 5.9788 5.9788 6.0477 6.0477 k = 0.3269 0.0889-0.2655 ( 7801 PWs) bands (ev): -9.0658 -9.0658 -8.8508 -8.8508 -8.3101 -8.3101 -8.0760 -8.0760 -7.1566 -7.1566 -7.1126 -7.1126 -5.0739 -5.0739 -4.7413 -4.7413 -0.5051 -0.5051 0.0551 0.0551 0.3904 0.3904 0.6780 0.6780 1.0551 1.0551 1.4329 1.4329 1.4730 1.4730 2.3556 2.3556 2.3924 2.3924 2.6302 2.6302 2.9537 2.9537 3.2197 3.2197 3.3374 3.3374 3.5167 3.5167 3.6514 3.6514 3.8318 3.8318 4.0387 4.0387 4.2172 4.2172 5.1365 5.1365 5.1920 5.1920 5.6807 5.6807 5.9562 5.9562 6.0113 6.0113 k = 0.3462 0.0941-0.2812 ( 7804 PWs) bands (ev): -9.0519 -9.0519 -8.8507 -8.8507 -8.3197 -8.3197 -8.0982 -8.0982 -7.1457 -7.1457 -7.1123 -7.1123 -5.0620 -5.0620 -4.7314 -4.7314 -0.5234 -0.5234 0.0392 0.0392 0.3661 0.3661 0.6407 0.6407 1.0444 1.0444 1.4389 1.4389 1.5028 1.5028 2.3907 2.3907 2.4387 2.4387 2.6202 2.6202 2.9869 2.9869 3.2369 3.2369 3.3583 3.3583 3.5438 3.5438 3.6668 3.6668 3.8220 3.8220 4.0407 4.0407 4.1906 4.1906 5.0986 5.0986 5.1526 5.1526 5.6703 5.6703 5.9353 5.9353 5.9761 5.9761 k = 0.3654 0.0993-0.2968 ( 7808 PWs) bands (ev): -9.0396 -9.0396 -8.8490 -8.8490 -8.3281 -8.3281 -8.1206 -8.1206 -7.1362 -7.1362 -7.1110 -7.1110 -5.0504 -5.0504 -4.7233 -4.7233 -0.5392 -0.5392 0.0238 0.0238 0.3446 0.3446 0.6054 0.6054 1.0345 1.0345 1.4379 1.4379 1.5468 1.5468 2.4237 2.4237 2.4667 2.4667 2.6142 2.6142 3.0181 3.0181 3.2437 3.2437 3.3818 3.3818 3.5696 3.5696 3.6841 3.6841 3.8167 3.8167 4.0443 4.0443 4.1670 4.1670 5.0597 5.0597 5.1149 5.1149 5.6572 5.6572 5.9157 5.9157 5.9435 5.9435 k = 0.3846 0.1046-0.3124 ( 7810 PWs) bands (ev): -9.0291 -9.0291 -8.8459 -8.8459 -8.3351 -8.3351 -8.1425 -8.1425 -7.1281 -7.1281 -7.1090 -7.1090 -5.0394 -5.0394 -4.7169 -4.7169 -0.5525 -0.5525 0.0094 0.0094 0.3262 0.3262 0.5727 0.5727 1.0257 1.0257 1.4357 1.4357 1.5974 1.5974 2.4525 2.4525 2.4695 2.4695 2.6217 2.6217 3.0470 3.0470 3.2397 3.2397 3.4108 3.4108 3.5915 3.5915 3.6988 3.6988 3.8189 3.8189 4.0477 4.0477 4.1485 4.1485 5.0212 5.0212 5.0797 5.0797 5.6407 5.6407 5.8956 5.8956 5.9161 5.9161 k = 0.4038 0.1098-0.3280 ( 7796 PWs) bands (ev): -9.0206 -9.0206 -8.8416 -8.8416 -8.3409 -8.3409 -8.1632 -8.1632 -7.1212 -7.1212 -7.1067 -7.1067 -5.0294 -5.0294 -4.7119 -4.7119 -0.5634 -0.5634 -0.0036 -0.0036 0.3107 0.3107 0.5433 0.5433 1.0180 1.0180 1.4336 1.4336 1.6516 1.6516 2.4413 2.4413 2.4858 2.4858 2.6406 2.6406 3.0732 3.0732 3.2284 3.2284 3.4433 3.4433 3.6080 3.6080 3.7068 3.7068 3.8310 3.8310 4.0485 4.0485 4.1377 4.1377 4.9846 4.9846 5.0477 5.0477 5.6214 5.6214 5.8722 5.8722 5.8975 5.8975 k = 0.4231 0.1150-0.3437 ( 7798 PWs) bands (ev): -9.0140 -9.0140 -8.8365 -8.8365 -8.3453 -8.3453 -8.1819 -8.1819 -7.1154 -7.1154 -7.1044 -7.1044 -5.0206 -5.0206 -4.7083 -4.7083 -0.5720 -0.5720 -0.0147 -0.0147 0.2984 0.2984 0.5181 0.5181 1.0117 1.0117 1.4317 1.4317 1.7068 1.7068 2.4057 2.4057 2.5106 2.5106 2.6614 2.6614 3.0963 3.0963 3.2140 3.2140 3.4758 3.4758 3.6193 3.6193 3.7078 3.7078 3.8507 3.8507 4.0445 4.0445 4.1357 4.1357 4.9513 4.9513 5.0197 5.0197 5.6011 5.6011 5.8487 5.8487 5.8855 5.8855 k = 0.4423 0.1202-0.3593 ( 7790 PWs) bands (ev): -9.0092 -9.0092 -8.8315 -8.8315 -8.3485 -8.3485 -8.1977 -8.1977 -7.1108 -7.1108 -7.1026 -7.1026 -5.0134 -5.0134 -4.7057 -4.7057 -0.5785 -0.5785 -0.0237 -0.0237 0.2890 0.2890 0.4977 0.4977 1.0067 1.0067 1.4302 1.4302 1.7596 1.7596 2.3653 2.3653 2.5319 2.5319 2.6791 2.6791 3.1158 3.1158 3.1994 3.1994 3.5052 3.5052 3.6269 3.6269 3.7045 3.7045 3.8732 3.8732 4.0366 4.0366 4.1401 4.1401 4.9230 4.9230 4.9966 4.9966 5.5821 5.5821 5.8287 5.8287 5.8772 5.8772 k = 0.4615 0.1255-0.3749 ( 7797 PWs) bands (ev): -9.0060 -9.0060 -8.8273 -8.8273 -8.3506 -8.3506 -8.2099 -8.2099 -7.1071 -7.1071 -7.1015 -7.1015 -5.0080 -5.0080 -4.7041 -4.7041 -0.5830 -0.5830 -0.0303 -0.0303 0.2824 0.2824 0.4825 0.4825 1.0031 1.0031 1.4292 1.4292 1.8057 1.8057 2.3273 2.3273 2.5482 2.5482 2.6918 2.6918 3.1316 3.1316 3.1863 3.1863 3.5285 3.5285 3.6328 3.6328 3.6990 3.6990 3.8938 3.8938 4.0273 4.0273 4.1469 4.1469 4.9012 4.9012 4.9792 4.9792 5.5666 5.5666 5.8137 5.8137 5.8715 5.8715 k = 0.4808 0.1307-0.3905 ( 7786 PWs) bands (ev): -9.0042 -9.0042 -8.8244 -8.8244 -8.3517 -8.3517 -8.2176 -8.2176 -7.1044 -7.1044 -7.1013 -7.1013 -5.0047 -5.0047 -4.7032 -4.7032 -0.5857 -0.5857 -0.0343 -0.0343 0.2786 0.2786 0.4733 0.4733 1.0009 1.0009 1.4286 1.4286 1.8385 1.8385 2.2990 2.2990 2.5585 2.5585 2.6994 2.6994 3.1431 3.1431 3.1761 3.1761 3.5432 3.5432 3.6379 3.6379 3.6932 3.6932 3.9087 3.9087 4.0197 4.0197 4.1525 4.1525 4.8875 4.8875 4.9684 4.9684 5.5565 5.5565 5.8044 5.8044 5.8683 5.8683 k = 0.5000 0.1359-0.4061 ( 7788 PWs) bands (ev): -9.0036 -9.0036 -8.8234 -8.8234 -8.3520 -8.3520 -8.2202 -8.2202 -7.1032 -7.1032 -7.1015 -7.1015 -5.0035 -5.0035 -4.7029 -4.7029 -0.5866 -0.5866 -0.0356 -0.0356 0.2773 0.2773 0.4701 0.4701 1.0002 1.0002 1.4284 1.4284 1.8506 1.8506 2.2884 2.2884 2.5621 2.5621 2.7019 2.7019 3.1481 3.1481 3.1714 3.1714 3.5481 3.5481 3.6403 3.6403 3.6905 3.6905 3.9143 3.9143 4.0166 4.0166 4.1545 4.1545 4.8827 4.8827 4.9647 4.9647 5.5529 5.5529 5.8013 5.8013 5.8672 5.8672 k = 0.5000 0.1359-0.4061 ( 7788 PWs) bands (ev): -9.0036 -9.0036 -8.8234 -8.8234 -8.3520 -8.3520 -8.2202 -8.2202 -7.1032 -7.1032 -7.1015 -7.1015 -5.0035 -5.0035 -4.7029 -4.7029 -0.5866 -0.5866 -0.0356 -0.0356 0.2773 0.2773 0.4701 0.4701 1.0002 1.0002 1.4284 1.4284 1.8506 1.8506 2.2884 2.2884 2.5621 2.5621 2.7019 2.7019 3.1481 3.1481 3.1714 3.1714 3.5481 3.5481 3.6403 3.6403 3.6905 3.6905 3.9143 3.9143 4.0166 4.0166 4.1545 4.1545 4.8827 4.8827 4.9647 4.9647 5.5529 5.5529 5.8013 5.8013 5.8672 5.8672 k = 0.5120 0.1392-0.3903 ( 7794 PWs) bands (ev): -9.0045 -9.0045 -8.8229 -8.8229 -8.3520 -8.3520 -8.2193 -8.2193 -7.1114 -7.1114 -7.0937 -7.0937 -5.0038 -5.0038 -4.7034 -4.7034 -0.5858 -0.5858 -0.0343 -0.0343 0.2780 0.2780 0.4710 0.4710 1.0004 1.0004 1.4283 1.4283 1.8498 1.8498 2.2840 2.2840 2.5643 2.5643 2.7012 2.7012 3.1372 3.1372 3.1811 3.1811 3.5451 3.5451 3.6397 3.6397 3.6898 3.6898 3.9110 3.9110 4.0203 4.0203 4.1544 4.1544 4.8828 4.8828 4.9673 4.9673 5.5554 5.5554 5.8016 5.8016 5.8686 5.8686 k = 0.5120 0.1392-0.3903 ( 7794 PWs) bands (ev): -9.0045 -9.0045 -8.8229 -8.8229 -8.3520 -8.3520 -8.2193 -8.2193 -7.1114 -7.1114 -7.0937 -7.0937 -5.0038 -5.0038 -4.7034 -4.7034 -0.5858 -0.5858 -0.0343 -0.0343 0.2780 0.2780 0.4710 0.4710 1.0004 1.0004 1.4283 1.4283 1.8498 1.8498 2.2840 2.2840 2.5643 2.5643 2.7012 2.7012 3.1372 3.1372 3.1811 3.1811 3.5451 3.5451 3.6397 3.6397 3.6898 3.6898 3.9110 3.9110 4.0203 4.0203 4.1544 4.1544 4.8828 4.8828 4.9673 4.9673 5.5554 5.5554 5.8016 5.8016 5.8686 5.8686 k = 0.5113 0.1390-0.3664 ( 7788 PWs) bands (ev): -9.0074 -9.0074 -8.8198 -8.8198 -8.3540 -8.3540 -8.2157 -8.2157 -7.1198 -7.1198 -7.0876 -7.0876 -5.0039 -5.0039 -4.7038 -4.7038 -0.5807 -0.5807 -0.0289 -0.0289 0.2778 0.2778 0.4727 0.4727 1.0008 1.0008 1.4270 1.4270 1.8349 1.8349 2.2808 2.2808 2.5712 2.5712 2.6957 2.6957 3.1272 3.1272 3.1931 3.1931 3.5381 3.5381 3.6382 3.6382 3.6875 3.6875 3.9063 3.9063 4.0274 4.0274 4.1526 4.1526 4.8798 4.8798 4.9686 4.9686 5.5688 5.5688 5.8026 5.8026 5.8697 5.8697 k = 0.5106 0.1388-0.3425 ( 7785 PWs) bands (ev): -9.0120 -9.0120 -8.8152 -8.8152 -8.3573 -8.3573 -8.2089 -8.2089 -7.1292 -7.1292 -7.0826 -7.0826 -5.0043 -5.0043 -4.7044 -4.7044 -0.5712 -0.5712 -0.0193 -0.0193 0.2775 0.2775 0.4764 0.4764 1.0014 1.0014 1.4246 1.4246 1.8041 1.8041 2.2814 2.2814 2.5796 2.5796 2.6850 2.6850 3.1180 3.1180 3.2062 3.2062 3.5271 3.5271 3.6348 3.6348 3.6851 3.6851 3.8988 3.8988 4.0381 4.0381 4.1486 4.1486 4.8770 4.8770 4.9699 4.9699 5.5924 5.5924 5.8055 5.8055 5.8714 5.8714 k = 0.5099 0.1386-0.3186 ( 7784 PWs) bands (ev): -9.0181 -9.0181 -8.8092 -8.8092 -8.3615 -8.3615 -8.1995 -8.1995 -7.1393 -7.1393 -7.0789 -7.0789 -5.0049 -5.0049 -4.7050 -4.7050 -0.5574 -0.5574 -0.0057 -0.0057 0.2769 0.2769 0.4823 0.4823 1.0024 1.0024 1.4210 1.4210 1.7615 1.7615 2.2829 2.2829 2.5871 2.5871 2.6705 2.6705 3.1103 3.1103 3.2177 3.2177 3.5155 3.5155 3.6300 3.6300 3.6826 3.6826 3.8894 3.8894 4.0511 4.0511 4.1428 4.1428 4.8757 4.8757 4.9705 4.9705 5.6225 5.6225 5.8107 5.8107 5.8741 5.8741 k = 0.5092 0.1384-0.2947 ( 7774 PWs) bands (ev): -9.0252 -9.0252 -8.8026 -8.8026 -8.3658 -8.3658 -8.1884 -8.1884 -7.1501 -7.1501 -7.0763 -7.0763 -5.0058 -5.0058 -4.7057 -4.7057 -0.5393 -0.5393 0.0112 0.0112 0.2760 0.2760 0.4905 0.4905 1.0036 1.0036 1.4161 1.4161 1.7114 1.7114 2.2823 2.2823 2.5889 2.5889 2.6560 2.6560 3.1041 3.1041 3.2248 3.2248 3.5075 3.5075 3.6246 3.6246 3.6802 3.6802 3.8787 3.8787 4.0653 4.0653 4.1358 4.1358 4.8767 4.8767 4.9702 4.9702 5.6545 5.6545 5.8189 5.8189 5.8789 5.8789 k = 0.5085 0.1382-0.2708 ( 7782 PWs) bands (ev): -9.0328 -9.0328 -8.7956 -8.7956 -8.3697 -8.3697 -8.1760 -8.1760 -7.1614 -7.1614 -7.0748 -7.0748 -5.0069 -5.0069 -4.7064 -4.7064 -0.5171 -0.5171 0.0304 0.0304 0.2749 0.2749 0.5012 0.5012 1.0049 1.0049 1.4098 1.4098 1.6578 1.6578 2.2763 2.2763 2.5791 2.5791 2.6481 2.6481 3.0992 3.0992 3.2253 3.2253 3.5063 3.5063 3.6195 3.6195 3.6784 3.6784 3.8671 3.8671 4.0804 4.0804 4.1283 4.1283 4.8805 4.8805 4.9691 4.9691 5.6835 5.6835 5.8299 5.8299 5.8870 5.8870 k = 0.5078 0.1380-0.2469 ( 7780 PWs) bands (ev): -9.0408 -9.0408 -8.7887 -8.7887 -8.3729 -8.3729 -8.1630 -8.1630 -7.1729 -7.1729 -7.0744 -7.0744 -5.0082 -5.0082 -4.7072 -4.7072 -0.4911 -0.4911 0.0509 0.0509 0.2736 0.2736 0.5146 0.5146 1.0061 1.0061 1.4016 1.4016 1.6044 1.6044 2.2615 2.2615 2.5589 2.5589 2.6478 2.6478 3.0954 3.0954 3.2187 3.2187 3.5118 3.5118 3.6154 3.6154 3.6780 3.6780 3.8547 3.8547 4.0957 4.0957 4.1210 4.1210 4.8870 4.8870 4.9678 4.9678 5.7061 5.7061 5.8422 5.8422 5.9001 5.9001 k = 0.5071 0.1378-0.2230 ( 7788 PWs) bands (ev): -9.0487 -9.0487 -8.7821 -8.7821 -8.3753 -8.3753 -8.1497 -8.1497 -7.1845 -7.1845 -7.0748 -7.0748 -5.0095 -5.0095 -4.7080 -4.7080 -0.4613 -0.4613 0.0712 0.0712 0.2722 0.2722 0.5309 0.5309 1.0070 1.0070 1.3909 1.3909 1.5545 1.5545 2.2341 2.2341 2.5367 2.5367 2.6501 2.6501 3.0924 3.0924 3.2068 3.2068 3.5203 3.5203 3.6138 3.6138 3.6802 3.6802 3.8421 3.8421 4.1102 4.1102 4.1155 4.1155 4.8958 4.8958 4.9665 4.9665 5.7215 5.7215 5.8537 5.8537 5.9181 5.9181 k = 0.5064 0.1377-0.1991 ( 7790 PWs) bands (ev): -9.0563 -9.0563 -8.7761 -8.7761 -8.3767 -8.3767 -8.1365 -8.1365 -7.1960 -7.1960 -7.0761 -7.0761 -5.0110 -5.0110 -4.7087 -4.7087 -0.4282 -0.4282 0.0895 0.0895 0.2710 0.2710 0.5502 0.5502 1.0074 1.0074 1.3769 1.3769 1.5115 1.5115 2.1920 2.1920 2.5189 2.5189 2.6523 2.6523 3.0897 3.0897 3.1921 3.1921 3.5264 3.5264 3.6154 3.6154 3.6864 3.6864 3.8301 3.8301 4.1087 4.1087 4.1268 4.1268 4.9063 4.9063 4.9661 4.9661 5.7311 5.7311 5.8636 5.8636 5.9383 5.9383 k = 0.5057 0.1375-0.1752 ( 7794 PWs) bands (ev): -9.0636 -9.0636 -8.7708 -8.7708 -8.3772 -8.3772 -8.1238 -8.1238 -7.2071 -7.2071 -7.0779 -7.0779 -5.0125 -5.0125 -4.7095 -4.7095 -0.3920 -0.3920 0.1037 0.1037 0.2706 0.2706 0.5721 0.5721 1.0071 1.0071 1.3595 1.3595 1.4782 1.4782 2.1353 2.1353 2.5079 2.5079 2.6534 2.6534 3.0872 3.0872 3.1767 3.1767 3.5271 3.5271 3.6194 3.6194 3.6968 3.6968 3.8200 3.8200 4.1050 4.1050 4.1412 4.1412 4.9174 4.9174 4.9672 4.9672 5.7367 5.7367 5.8727 5.8727 5.9570 5.9570 k = 0.5049 0.1373-0.1514 ( 7797 PWs) bands (ev): -9.0702 -9.0702 -8.7663 -8.7663 -8.3768 -8.3768 -8.1118 -8.1118 -7.2176 -7.2176 -7.0802 -7.0802 -5.0139 -5.0139 -4.7101 -4.7101 -0.3532 -0.3532 0.1120 0.1120 0.2715 0.2715 0.5961 0.5961 1.0061 1.0061 1.3405 1.3405 1.4548 1.4548 2.0669 2.0669 2.5031 2.5031 2.6534 2.6534 3.0843 3.0843 3.1621 3.1621 3.5233 3.5233 3.6238 3.6238 3.7085 3.7085 3.8139 3.8139 4.1029 4.1029 4.1548 4.1548 4.9275 4.9275 4.9710 4.9710 5.7396 5.7396 5.8815 5.8815 5.9718 5.9718 k = 0.5042 0.1371-0.1275 ( 7799 PWs) bands (ev): -9.0762 -9.0762 -8.7626 -8.7626 -8.3759 -8.3759 -8.1008 -8.1008 -7.2272 -7.2272 -7.0827 -7.0827 -5.0153 -5.0153 -4.7107 -4.7107 -0.3122 -0.3122 0.1128 0.1128 0.2741 0.2741 0.6208 0.6208 1.0047 1.0047 1.3245 1.3245 1.4394 1.4394 1.9906 1.9906 2.5028 2.5028 2.6524 2.6524 3.0808 3.0808 3.1492 3.1492 3.5169 3.5169 3.6280 3.6280 3.7167 3.7167 3.8142 3.8142 4.1024 4.1024 4.1673 4.1673 4.9353 4.9353 4.9784 4.9784 5.7406 5.7406 5.8903 5.8903 5.9818 5.9818 k = 0.5035 0.1369-0.1036 ( 7797 PWs) bands (ev): -9.0814 -9.0814 -8.7596 -8.7596 -8.3745 -8.3745 -8.0911 -8.0911 -7.2358 -7.2358 -7.0852 -7.0852 -5.0165 -5.0165 -4.7113 -4.7113 -0.2698 -0.2698 0.1056 0.1056 0.2782 0.2782 0.6444 0.6444 1.0035 1.0035 1.3156 1.3156 1.4297 1.4297 1.9098 1.9098 2.5054 2.5054 2.6506 2.6506 3.0765 3.0765 3.1386 3.1386 3.5098 3.5098 3.6319 3.6319 3.7183 3.7183 3.8213 3.8213 4.1032 4.1032 4.1783 4.1783 4.9402 4.9402 4.9889 4.9889 5.7404 5.7404 5.8994 5.8994 5.9867 5.9867 k = 0.5028 0.1367-0.0797 ( 7805 PWs) bands (ev): -9.0857 -9.0857 -8.7573 -8.7573 -8.3729 -8.3729 -8.0828 -8.0828 -7.2431 -7.2431 -7.0876 -7.0876 -5.0176 -5.0176 -4.7117 -4.7117 -0.2266 -0.2266 0.0909 0.0909 0.2828 0.2828 0.6649 0.6649 1.0032 1.0032 1.3163 1.3163 1.4244 1.4244 1.8279 1.8279 2.5095 2.5095 2.6483 2.6483 3.0715 3.0715 3.1305 3.1305 3.5030 3.5030 3.6358 3.6358 3.7147 3.7147 3.8323 3.8323 4.1050 4.1050 4.1877 4.1877 4.9432 4.9432 5.0007 5.0007 5.7394 5.7394 5.9085 5.9085 5.9874 5.9874 k = 0.5021 0.1365-0.0558 ( 7805 PWs) bands (ev): -9.0891 -9.0891 -8.7556 -8.7556 -8.3714 -8.3714 -8.0762 -8.0762 -7.2490 -7.2490 -7.0897 -7.0897 -5.0185 -5.0185 -4.7121 -4.7121 -0.1838 -0.1838 0.0701 0.0701 0.2873 0.2873 0.6807 0.6807 1.0043 1.0043 1.3261 1.3261 1.4241 1.4241 1.7479 1.7479 2.5142 2.5142 2.6459 2.6459 3.0664 3.0664 3.1249 3.1249 3.4972 3.4972 3.6397 3.6397 3.7086 3.7086 3.8434 3.8434 4.1073 4.1073 4.1952 4.1952 4.9451 4.9451 5.0120 5.0120 5.7381 5.7381 5.9176 5.9176 5.9848 5.9848 k = 0.5014 0.1363-0.0319 ( 7810 PWs) bands (ev): -9.0916 -9.0916 -8.7544 -8.7544 -8.3701 -8.3701 -8.0713 -8.0713 -7.2534 -7.2534 -7.0913 -7.0913 -5.0191 -5.0191 -4.7124 -4.7124 -0.1433 -0.1433 0.0451 0.0451 0.2909 0.2909 0.6913 0.6913 1.0063 1.0063 1.3413 1.3413 1.4312 1.4312 1.6738 1.6738 2.5183 2.5183 2.6437 2.6437 3.0619 3.0619 3.1213 3.1213 3.4929 3.4929 3.6434 3.6434 3.7025 3.7025 3.8523 3.8523 4.1095 4.1095 4.2007 4.2007 4.9463 4.9463 5.0212 5.0212 5.7367 5.7367 5.9261 5.9261 5.9801 5.9801 k = 0.5007 0.1361-0.0080 ( 7806 PWs) bands (ev): -9.0931 -9.0931 -8.7538 -8.7538 -8.3693 -8.3693 -8.0684 -8.0684 -7.2560 -7.2560 -7.0923 -7.0923 -5.0195 -5.0195 -4.7125 -4.7125 -0.1093 -0.1093 0.0204 0.0204 0.2931 0.2931 0.6972 0.6972 1.0081 1.0081 1.3539 1.3539 1.4481 1.4481 1.6128 1.6128 2.5212 2.5212 2.6422 2.6422 3.0588 3.0588 3.1193 3.1193 3.4902 3.4902 3.6462 3.6462 3.6979 3.6979 3.8578 3.8578 4.1110 4.1110 4.2040 4.2040 4.9470 4.9470 5.0271 5.0271 5.7358 5.7358 5.9328 5.9328 5.9754 5.9754 k = 0.5000 0.1359 0.0159 ( 7802 PWs) bands (ev): -9.0936 -9.0936 -8.7536 -8.7536 -8.3691 -8.3691 -8.0674 -8.0674 -7.2569 -7.2569 -7.0926 -7.0926 -5.0197 -5.0197 -4.7126 -4.7126 -0.0939 -0.0939 0.0081 0.0081 0.2939 0.2939 0.6991 0.6991 1.0088 1.0088 1.3584 1.3584 1.4610 1.4610 1.5849 1.5849 2.5222 2.5222 2.6417 2.6417 3.0577 3.0577 3.1186 3.1186 3.4893 3.4893 3.6473 3.6473 3.6962 3.6962 3.8597 3.8597 4.1116 4.1116 4.2052 4.2052 4.9473 4.9473 5.0292 5.0292 5.7354 5.7354 5.9356 5.9356 5.9732 5.9732 k = 0.5000 0.1359 0.0159 ( 7802 PWs) bands (ev): -9.0936 -9.0936 -8.7536 -8.7536 -8.3691 -8.3691 -8.0674 -8.0674 -7.2569 -7.2569 -7.0926 -7.0926 -5.0197 -5.0197 -4.7126 -4.7126 -0.0939 -0.0939 0.0081 0.0081 0.2939 0.2939 0.6991 0.6991 1.0088 1.0088 1.3584 1.3584 1.4610 1.4610 1.5849 1.5849 2.5222 2.5222 2.6417 2.6417 3.0577 3.0577 3.1186 3.1186 3.4893 3.4893 3.6473 3.6473 3.6962 3.6962 3.8597 3.8597 4.1116 4.1116 4.2052 4.2052 4.9473 4.9473 5.0292 5.0292 5.7354 5.7354 5.9356 5.9356 5.9732 5.9732 k = 0.5066 0.1117 0.0159 ( 7802 PWs) bands (ev): -9.0926 -9.0926 -8.7529 -8.7529 -8.3682 -8.3682 -8.0669 -8.0669 -7.2565 -7.2565 -7.0921 -7.0921 -5.0214 -5.0214 -4.7139 -4.7139 -0.0933 -0.0933 0.0087 0.0087 0.2942 0.2942 0.6984 0.6984 1.0061 1.0061 1.3507 1.3507 1.4646 1.4646 1.5855 1.5855 2.5187 2.5187 2.6398 2.6398 3.0342 3.0342 3.1282 3.1282 3.4756 3.4756 3.6372 3.6372 3.7122 3.7122 3.8627 3.8627 4.1098 4.1098 4.2026 4.2026 4.9529 4.9529 5.0466 5.0466 5.7364 5.7364 5.9371 5.9371 5.9758 5.9758 k = 0.5132 0.0875 0.0159 ( 7808 PWs) bands (ev): -9.0897 -9.0897 -8.7508 -8.7508 -8.3658 -8.3658 -8.0652 -8.0652 -7.2555 -7.2555 -7.0904 -7.0904 -5.0264 -5.0264 -4.7177 -4.7177 -0.0916 -0.0916 0.0104 0.0104 0.2950 0.2950 0.6963 0.6963 0.9981 0.9981 1.3302 1.3302 1.4730 1.4730 1.5871 1.5871 2.5082 2.5082 2.6338 2.6338 2.9831 2.9831 3.1391 3.1391 3.4404 3.4404 3.6186 3.6186 3.7428 3.7428 3.8706 3.8706 4.1053 4.1053 4.1952 4.1952 4.9730 4.9730 5.0938 5.0938 5.7396 5.7396 5.9411 5.9411 5.9841 5.9841 k = 0.5198 0.0632 0.0159 ( 7810 PWs) bands (ev): -9.0849 -9.0849 -8.7474 -8.7474 -8.3617 -8.3617 -8.0624 -8.0624 -7.2537 -7.2537 -7.0875 -7.0875 -5.0349 -5.0349 -4.7242 -4.7242 -0.0888 -0.0888 0.0132 0.0132 0.2962 0.2962 0.6923 0.6923 0.9855 0.9855 1.3010 1.3010 1.4828 1.4828 1.5896 1.5896 2.4901 2.4901 2.6229 2.6229 2.9176 2.9176 3.1420 3.1420 3.3928 3.3928 3.5968 3.5968 3.7737 3.7737 3.8816 3.8816 4.0997 4.0997 4.1840 4.1840 5.0106 5.0106 5.1626 5.1626 5.7456 5.7456 5.9469 5.9469 5.9991 5.9991 k = 0.5264 0.0390 0.0159 ( 7804 PWs) bands (ev): -9.0782 -9.0782 -8.7427 -8.7427 -8.3560 -8.3560 -8.0586 -8.0586 -7.2512 -7.2512 -7.0835 -7.0835 -5.0466 -5.0466 -4.7333 -4.7333 -0.0850 -0.0850 0.0171 0.0171 0.2977 0.2977 0.6860 0.6860 0.9695 0.9695 1.2659 1.2659 1.4923 1.4923 1.5930 1.5930 2.4636 2.4636 2.6056 2.6056 2.8439 2.8439 3.1370 3.1370 3.3385 3.3385 3.5721 3.5721 3.7991 3.7991 3.8940 3.8940 4.0944 4.0944 4.1704 4.1704 5.0650 5.0650 5.2472 5.2472 5.7552 5.7552 5.9542 5.9542 6.0217 6.0217 k = 0.5329 0.0148 0.0159 ( 7800 PWs) bands (ev): -9.0697 -9.0697 -8.7367 -8.7367 -8.3486 -8.3486 -8.0537 -8.0537 -7.2481 -7.2481 -7.0784 -7.0784 -5.0618 -5.0618 -4.7449 -4.7449 -0.0801 -0.0801 0.0219 0.0219 0.2992 0.2992 0.6765 0.6765 0.9514 0.9514 1.2271 1.2271 1.5007 1.5007 1.5968 1.5968 2.4278 2.4278 2.5786 2.5786 2.7684 2.7684 3.1261 3.1261 3.2809 3.2809 3.5452 3.5452 3.8158 3.8158 3.9065 3.9065 4.0891 4.0891 4.1564 4.1564 5.1337 5.1337 5.3429 5.3429 5.7692 5.7692 5.9633 5.9633 6.0522 6.0522 k = 0.5395-0.0095 0.0159 ( 7794 PWs) bands (ev): -9.0593 -9.0593 -8.7294 -8.7294 -8.3397 -8.3397 -8.0476 -8.0476 -7.2443 -7.2443 -7.0721 -7.0721 -5.0803 -5.0803 -4.7592 -4.7592 -0.0742 -0.0742 0.0274 0.0274 0.3003 0.3003 0.6632 0.6632 0.9322 0.9322 1.1863 1.1863 1.5078 1.5078 1.6010 1.6010 2.3817 2.3817 2.5369 2.5369 2.6995 2.6995 3.1109 3.1109 3.2217 3.2217 3.5166 3.5166 3.8230 3.8230 3.9174 3.9174 4.0820 4.0820 4.1442 4.1442 5.2139 5.2139 5.4459 5.4459 5.7888 5.7888 5.9753 5.9753 6.0904 6.0904 k = 0.5461-0.0337 0.0159 ( 7794 PWs) bands (ev): -9.0470 -9.0470 -8.7210 -8.7210 -8.3291 -8.3291 -8.0406 -8.0406 -7.2398 -7.2398 -7.0647 -7.0647 -5.1021 -5.1021 -4.7762 -4.7762 -0.0676 -0.0676 0.0336 0.0336 0.3005 0.3005 0.6459 0.6459 0.9126 0.9126 1.1459 1.1459 1.5134 1.5134 1.6053 1.6053 2.3247 2.3247 2.4768 2.4768 2.6437 2.6437 3.0924 3.0924 3.1630 3.1630 3.4873 3.4873 3.8215 3.8215 3.9245 3.9245 4.0712 4.0712 4.1354 4.1354 5.3026 5.3026 5.5524 5.5524 5.8147 5.8147 5.9915 5.9915 6.1357 6.1357 k = 0.5527-0.0579 0.0159 ( 7798 PWs) bands (ev): -9.0330 -9.0330 -8.7113 -8.7113 -8.3170 -8.3170 -8.0324 -8.0324 -7.2347 -7.2347 -7.0562 -7.0562 -5.1272 -5.1272 -4.7957 -4.7957 -0.0602 -0.0602 0.0402 0.0402 0.2992 0.2992 0.6247 0.6247 0.8921 0.8921 1.1086 1.1086 1.5170 1.5170 1.6094 1.6094 2.2574 2.2574 2.4030 2.4030 2.5989 2.5989 3.0667 3.0667 3.1108 3.1108 3.4579 3.4579 3.8126 3.8126 3.9251 3.9251 4.0569 4.0569 4.1295 4.1295 5.3971 5.3971 5.6579 5.6579 5.8486 5.8486 6.0141 6.0141 6.1875 6.1875 k = 0.5593-0.0822 0.0159 ( 7800 PWs) bands (ev): -9.0173 -9.0173 -8.7005 -8.7005 -8.3033 -8.3033 -8.0233 -8.0233 -7.2290 -7.2290 -7.0466 -7.0466 -5.1555 -5.1555 -4.8179 -4.8179 -0.0523 -0.0523 0.0469 0.0469 0.2954 0.2954 0.6009 0.6009 0.8689 0.8689 1.0774 1.0774 1.5179 1.5179 1.6131 1.6131 2.1817 2.1817 2.3235 2.3235 2.5589 2.5589 3.0205 3.0205 3.0795 3.0795 3.4292 3.4292 3.7971 3.7971 3.9178 3.9178 4.0409 4.0409 4.1251 4.1251 5.4945 5.4945 5.7543 5.7543 5.8951 5.8951 6.0457 6.0457 6.2446 6.2446 k = 0.5659-0.1064 0.0159 ( 7806 PWs) bands (ev): -8.9999 -8.9999 -8.6887 -8.6887 -8.2880 -8.2880 -8.0131 -8.0131 -7.2227 -7.2227 -7.0360 -7.0360 -5.1871 -5.1871 -4.8427 -4.8427 -0.0440 -0.0440 0.0534 0.0534 0.2880 0.2880 0.5764 0.5764 0.8411 0.8411 1.0553 1.0553 1.5149 1.5149 1.6157 1.6157 2.1015 2.1015 2.2434 2.2434 2.5196 2.5196 2.9609 2.9609 3.0624 3.0624 3.4018 3.4018 3.7753 3.7753 3.9025 3.9025 4.0242 4.0242 4.1208 4.1208 5.5912 5.5912 5.8301 5.8301 5.9625 5.9625 6.0895 6.0895 6.3058 6.3058 k = 0.5725-0.1306 0.0159 ( 7800 PWs) bands (ev): -8.9809 -8.9809 -8.6759 -8.6759 -8.2712 -8.2712 -8.0020 -8.0020 -7.2158 -7.2158 -7.0242 -7.0242 -5.2218 -5.2218 -4.8702 -4.8702 -0.0356 -0.0356 0.0592 0.0592 0.2757 0.2757 0.5532 0.5532 0.8083 0.8083 1.0430 1.0430 1.5062 1.5062 1.6166 1.6166 2.0215 2.0215 2.1652 2.1652 2.4793 2.4793 2.8979 2.8979 3.0497 3.0497 3.3762 3.3762 3.7474 3.7474 3.8803 3.8803 4.0067 4.0067 4.1160 4.1160 5.6814 5.6814 5.8884 5.8884 6.0461 6.0461 6.1492 6.1492 6.3695 6.3695 k = 0.5791-0.1549 0.0159 ( 7800 PWs) bands (ev): -8.9604 -8.9604 -8.6622 -8.6622 -8.2529 -8.2529 -7.9898 -7.9898 -7.2084 -7.2084 -7.0114 -7.0114 -5.2595 -5.2595 -4.9003 -4.9003 -0.0274 -0.0274 0.0640 0.0640 0.2578 0.2578 0.5333 0.5333 0.7715 0.7715 1.0395 1.0395 1.4896 1.4896 1.6143 1.6143 1.9470 1.9470 2.0914 2.0914 2.4375 2.4375 2.8335 2.8335 3.0391 3.0391 3.3530 3.3530 3.7137 3.7137 3.8529 3.8529 3.9880 3.9880 4.1105 4.1105 5.7561 5.7561 5.9482 5.9482 6.1287 6.1287 6.2272 6.2272 6.4341 6.4341 k = 0.5856-0.1791 0.0159 ( 7800 PWs) bands (ev): -8.9384 -8.9384 -8.6477 -8.6477 -8.2332 -8.2332 -7.9767 -7.9767 -7.2005 -7.2005 -6.9975 -6.9975 -5.3002 -5.3002 -4.9329 -4.9329 -0.0199 -0.0199 0.0671 0.0671 0.2340 0.2340 0.5175 0.5175 0.7328 0.7328 1.0429 1.0429 1.4627 1.4627 1.6067 1.6067 1.8828 1.8828 2.0245 2.0245 2.3945 2.3945 2.7689 2.7689 3.0293 3.0293 3.3323 3.3323 3.6747 3.6747 3.8219 3.8219 3.9673 3.9673 4.1046 4.1046 5.8083 5.8083 6.0227 6.0227 6.2042 6.2042 6.3193 6.3193 6.4981 6.4981 k = 0.5922-0.2033 0.0159 ( 7798 PWs) bands (ev): -8.9151 -8.9151 -8.6325 -8.6325 -8.2121 -8.2121 -7.9627 -7.9627 -7.1922 -7.1922 -6.9826 -6.9826 -5.3437 -5.3437 -4.9681 -4.9681 -0.0136 -0.0136 0.0681 0.0681 0.2053 0.2053 0.5058 0.5058 0.6938 0.6938 1.0513 1.0513 1.4243 1.4243 1.5908 1.5908 1.8328 1.8328 1.9676 1.9676 2.3506 2.3506 2.7046 2.7046 3.0197 3.0197 3.3144 3.3144 3.6313 3.6313 3.7888 3.7888 3.9442 3.9442 4.0984 4.0984 5.8420 5.8420 6.1096 6.1096 6.2756 6.2756 6.4159 6.4159 6.5600 6.5600 k = 0.5988-0.2276 0.0159 ( 7792 PWs) bands (ev): -8.8906 -8.8906 -8.6166 -8.6166 -8.1897 -8.1897 -7.9477 -7.9477 -7.1833 -7.1833 -6.9667 -6.9667 -5.3899 -5.3899 -5.0057 -5.0057 -0.0095 -0.0095 0.0662 0.0662 0.1735 0.1735 0.4973 0.4973 0.6557 0.6557 1.0633 1.0633 1.3757 1.3757 1.5642 1.5642 1.7984 1.7984 1.9229 1.9229 2.3068 2.3068 2.6416 2.6416 3.0094 3.0094 3.2993 3.2993 3.5842 3.5842 3.7548 3.7548 3.9186 3.9186 4.0921 4.0921 5.8649 5.8649 6.2004 6.2004 6.3447 6.3447 6.5106 6.5106 6.6188 6.6188 k = 0.6054-0.2518 0.0159 ( 7798 PWs) bands (ev): -8.8650 -8.8650 -8.6003 -8.6003 -8.1661 -8.1661 -7.9319 -7.9319 -7.1741 -7.1741 -6.9497 -6.9497 -5.4387 -5.4387 -5.0457 -5.0457 -0.0085 -0.0085 0.0600 0.0600 0.1417 0.1417 0.4898 0.4898 0.6196 0.6196 1.0774 1.0774 1.3206 1.3206 1.5274 1.5274 1.7769 1.7769 1.8910 1.8910 2.2638 2.2638 2.5808 2.5808 2.9980 2.9980 3.2868 3.2868 3.5345 3.5345 3.7209 3.7209 3.8904 3.8904 4.0858 4.0858 5.8823 5.8823 6.2875 6.2875 6.4125 6.4125 6.5994 6.5994 6.6742 6.6742 k = 0.6120-0.2760 0.0159 ( 7790 PWs) bands (ev): -8.8383 -8.8383 -8.5834 -8.5834 -8.1413 -8.1413 -7.9152 -7.9152 -7.1644 -7.1644 -6.9318 -6.9318 -5.4898 -5.4898 -5.0880 -5.0880 -0.0119 -0.0119 0.0459 0.0459 0.1153 0.1153 0.4798 0.4798 0.5880 0.5880 1.0922 1.0922 1.2638 1.2638 1.4844 1.4844 1.7633 1.7633 1.8706 1.8706 2.2224 2.2224 2.5233 2.5233 2.9850 2.9850 3.2768 3.2768 3.4832 3.4832 3.6880 3.6880 3.8599 3.8599 4.0795 4.0795 5.8966 5.8966 6.3643 6.3643 6.4799 6.4799 6.6788 6.6788 6.7274 6.7274 k = 0.6186-0.3003 0.0159 ( 7790 PWs) bands (ev): -8.8109 -8.8109 -8.5662 -8.5662 -8.1155 -8.1155 -7.8977 -7.8977 -7.1543 -7.1543 -6.9129 -6.9129 -5.5430 -5.5430 -5.1325 -5.1325 -0.0208 -0.0208 0.0204 0.0204 0.0995 0.0995 0.4609 0.4609 0.5659 0.5659 1.1039 1.1039 1.2114 1.2114 1.4403 1.4403 1.7527 1.7527 1.8599 1.8599 2.1835 2.1835 2.4701 2.4701 2.9701 2.9701 3.2686 3.2686 3.4316 3.4316 3.6570 3.6570 3.8272 3.8272 4.0732 4.0732 5.9092 5.9092 6.4253 6.4253 6.5480 6.5480 6.7443 6.7443 6.7816 6.7816 k = 0.6252-0.3245 0.0159 ( 7788 PWs) bands (ev): -8.7828 -8.7828 -8.5488 -8.5488 -8.0888 -8.0888 -7.8794 -7.8794 -7.1438 -7.1438 -6.8930 -6.8930 -5.5982 -5.5982 -5.1790 -5.1790 -0.0368 -0.0368 -0.0122 -0.0122 0.0922 0.0922 0.4282 0.4282 0.5568 0.5568 1.0992 1.0992 1.1781 1.1781 1.3994 1.3994 1.7422 1.7422 1.8565 1.8565 2.1476 2.1476 2.4226 2.4226 2.9535 2.9535 3.2610 3.2610 3.3812 3.3812 3.6286 3.6286 3.7927 3.7927 4.0667 4.0667 5.9208 5.9208 6.4691 6.4691 6.6147 6.6147 6.7955 6.7955 6.8365 6.8365 k = 0.6318-0.3487 0.0159 ( 7784 PWs) bands (ev): -8.7542 -8.7542 -8.5313 -8.5313 -8.0613 -8.0613 -7.8603 -7.8603 -7.1330 -7.1330 -6.8721 -6.8721 -5.6550 -5.6550 -5.2274 -5.2274 -0.0645 -0.0645 -0.0418 -0.0418 0.0884 0.0884 0.3839 0.3839 0.5580 0.5580 1.0643 1.0643 1.1778 1.1778 1.3644 1.3644 1.7306 1.7306 1.8587 1.8587 2.1149 2.1149 2.3819 2.3819 2.9354 2.9354 3.2517 3.2517 3.3347 3.3347 3.6032 3.6032 3.7569 3.7569 4.0600 4.0600 5.9315 5.9315 6.4975 6.4975 6.6750 6.6750 6.8396 6.8396 6.8851 6.8851 k = 0.6384-0.3730 0.0159 ( 7784 PWs) bands (ev): -8.7254 -8.7254 -8.5137 -8.5137 -8.0333 -8.0333 -7.8404 -7.8404 -7.1217 -7.1217 -6.8502 -6.8502 -5.7132 -5.7132 -5.2776 -5.2776 -0.1028 -0.1028 -0.0663 -0.0663 0.0853 0.0853 0.3320 0.3320 0.5650 0.5650 1.0175 1.0175 1.1921 1.1921 1.3367 1.3367 1.7182 1.7182 1.8647 1.8647 2.0855 2.0855 2.3489 2.3489 2.9161 2.9161 3.2346 3.2346 3.2984 3.2984 3.5812 3.5812 3.7199 3.7199 4.0528 4.0528 5.9418 5.9418 6.5134 6.5134 6.7246 6.7246 6.8806 6.8806 6.9227 6.9227 k = 0.6449-0.3972 0.0159 ( 7784 PWs) bands (ev): -8.6964 -8.6964 -8.4962 -8.4962 -8.0048 -8.0048 -7.8199 -7.8199 -7.1100 -7.1100 -6.8275 -6.8275 -5.7725 -5.7725 -5.3293 -5.3293 -0.1443 -0.1443 -0.0910 -0.0910 0.0814 0.0814 0.2753 0.2753 0.5753 0.5753 0.9694 0.9694 1.2098 1.2098 1.3164 1.3164 1.7060 1.7060 1.8732 1.8732 2.0593 2.0593 2.3240 2.3240 2.8962 2.8962 3.2035 3.2035 3.2786 3.2786 3.5629 3.5629 3.6824 3.6824 4.0452 4.0452 5.9515 5.9515 6.5191 6.5191 6.7608 6.7608 6.9185 6.9185 6.9488 6.9488 k = 0.6515-0.4214 0.0159 ( 7774 PWs) bands (ev): -8.6676 -8.6676 -8.4789 -8.4789 -7.9762 -7.9762 -7.7988 -7.7988 -7.0978 -7.0978 -6.8038 -6.8038 -5.8325 -5.8325 -5.3823 -5.3823 -0.1867 -0.1867 -0.1171 -0.1171 0.0758 0.0758 0.2160 0.2160 0.5873 0.5873 0.9225 0.9225 1.2281 1.2281 1.3029 1.3029 1.6956 1.6956 1.8835 1.8835 2.0368 2.0368 2.3072 2.3072 2.8762 2.8762 3.1651 3.1651 3.2688 3.2688 3.5484 3.5484 3.6446 3.6446 4.0370 4.0370 5.9608 5.9608 6.5166 6.5166 6.7833 6.7833 6.9445 6.9445 6.9707 6.9707 k = 0.6581-0.4457 0.0159 ( 7770 PWs) bands (ev): -8.6392 -8.6392 -8.4619 -8.4619 -7.9477 -7.9477 -7.7772 -7.7772 -7.0850 -7.0850 -6.7793 -6.7793 -5.8928 -5.8928 -5.4365 -5.4365 -0.2293 -0.2293 -0.1444 -0.1444 0.0675 0.0675 0.1559 0.1559 0.6000 0.6000 0.8775 0.8775 1.2458 1.2458 1.2951 1.2951 1.6885 1.6885 1.8948 1.8948 2.0184 2.0184 2.2976 2.2976 2.8568 2.8568 3.1265 3.1265 3.2617 3.2617 3.5376 3.5376 3.6072 3.6072 4.0281 4.0281 5.9695 5.9695 6.5076 6.5076 6.7935 6.7935 6.9478 6.9478 6.9983 6.9983 k = 0.6647-0.4699 0.0159 ( 7772 PWs) bands (ev): -8.6114 -8.6114 -8.4453 -8.4453 -7.9196 -7.9196 -7.7552 -7.7552 -7.0716 -7.0716 -6.7541 -6.7541 -5.9529 -5.9529 -5.4917 -5.4917 -0.2717 -0.2717 -0.1728 -0.1728 0.0547 0.0547 0.0979 0.0979 0.6126 0.6126 0.8347 0.8347 1.2611 1.2611 1.2934 1.2934 1.6857 1.6857 1.9070 1.9070 2.0051 2.0051 2.2941 2.2941 2.8387 2.8387 3.0908 3.0908 3.2548 3.2548 3.5298 3.5298 3.5710 3.5710 4.0185 4.0185 5.9776 5.9776 6.4934 6.4934 6.7927 6.7927 6.9367 6.9367 7.0231 7.0231 k = 0.6713-0.4941 0.0159 ( 7768 PWs) bands (ev): -8.5845 -8.5845 -8.4292 -8.4292 -7.8922 -7.8922 -7.7329 -7.7329 -7.0573 -7.0573 -6.7282 -6.7282 -6.0123 -6.0123 -5.5475 -5.5475 -0.3136 -0.3136 -0.2022 -0.2022 0.0248 0.0248 0.0555 0.0555 0.6241 0.6241 0.7944 0.7944 1.2700 1.2700 1.3010 1.3010 1.6878 1.6878 1.9199 1.9199 1.9977 1.9977 2.2955 2.2955 2.8226 2.8226 3.0589 3.0589 3.2469 3.2469 3.5207 3.5207 3.5404 3.5404 4.0081 4.0081 5.9849 5.9849 6.4748 6.4748 6.7824 6.7824 6.9161 6.9161 7.0409 7.0409 k = 0.6779-0.5184 0.0159 ( 7768 PWs) bands (ev): -8.5587 -8.5587 -8.4138 -8.4138 -7.8658 -7.8658 -7.7106 -7.7106 -7.0420 -7.0420 -6.7021 -6.7021 -6.0703 -6.0703 -5.6039 -5.6039 -0.3545 -0.3545 -0.2326 -0.2326 -0.0269 -0.0269 0.0345 0.0345 0.6336 0.6336 0.7566 0.7566 1.2731 1.2731 1.3174 1.3174 1.6947 1.6947 1.9333 1.9333 1.9970 1.9970 2.3007 2.3007 2.8090 2.8090 3.0315 3.0315 3.2378 3.2378 3.4943 3.4943 3.5314 3.5314 3.9970 3.9970 5.9913 5.9913 6.4526 6.4526 6.7639 6.7639 6.8880 6.8880 7.0504 7.0504 k = 0.6845-0.5426 0.0159 ( 7766 PWs) bands (ev): -8.5343 -8.5343 -8.3991 -8.3991 -7.8407 -7.8407 -7.6885 -7.6885 -7.0254 -7.0254 -6.6761 -6.6761 -6.1260 -6.1260 -5.6605 -5.6605 -0.3941 -0.3941 -0.2642 -0.2642 -0.0795 -0.0795 0.0150 0.0150 0.6396 0.6396 0.7223 0.7223 1.2754 1.2754 1.3379 1.3379 1.7059 1.7059 1.9470 1.9470 2.0036 2.0036 2.3086 2.3086 2.7987 2.7987 3.0087 3.0087 3.2274 3.2274 3.4622 3.4622 3.5325 3.5325 3.9852 3.9852 5.9965 5.9965 6.4274 6.4274 6.7385 6.7385 6.8539 6.8539 7.0512 7.0512 k = 0.6911-0.5669 0.0159 ( 7772 PWs) bands (ev): -8.5114 -8.5114 -8.3852 -8.3852 -7.8174 -7.8174 -7.6669 -7.6669 -7.0074 -7.0074 -6.6510 -6.6510 -6.1782 -6.1782 -5.7171 -5.7171 -0.4321 -0.4321 -0.2969 -0.2969 -0.1289 -0.1289 -0.0066 -0.0066 0.6385 0.6385 0.6947 0.6947 1.2792 1.2792 1.3609 1.3609 1.7204 1.7204 1.9611 1.9611 2.0176 2.0176 2.3187 2.3187 2.7922 2.7922 2.9904 2.9904 3.2158 3.2158 3.4311 3.4311 3.5365 3.5365 3.9727 3.9727 6.0003 6.0003 6.3998 6.3998 6.7072 6.7072 6.8154 6.8154 7.0437 7.0437 k = 0.6976-0.5911 0.0159 ( 7776 PWs) bands (ev): -8.4903 -8.4903 -8.3723 -8.3723 -7.7962 -7.7962 -7.6461 -7.6461 -6.9877 -6.9877 -6.6282 -6.6282 -6.2249 -6.2249 -5.7735 -5.7735 -0.4681 -0.4681 -0.3308 -0.3308 -0.1742 -0.1742 -0.0303 -0.0303 0.6232 0.6232 0.6800 0.6800 1.2855 1.2855 1.3863 1.3863 1.7376 1.7376 1.9760 1.9760 2.0385 2.0385 2.3304 2.3304 2.7898 2.7898 2.9764 2.9764 3.2032 3.2032 3.4022 3.4022 3.5425 3.5425 3.9595 3.9595 6.0023 6.0023 6.3702 6.3702 6.6712 6.6712 6.7734 6.7734 7.0285 7.0285 k = 0.7042-0.6153 0.0159 ( 7778 PWs) bands (ev): -8.4712 -8.4712 -8.3605 -8.3605 -7.7776 -7.7776 -7.6265 -7.6265 -6.9659 -6.9659 -6.6101 -6.6101 -6.2636 -6.2636 -5.8294 -5.8294 -0.5018 -0.5018 -0.3656 -0.3656 -0.2150 -0.2150 -0.0561 -0.0561 0.5965 0.5965 0.6757 0.6757 1.2949 1.2949 1.4139 1.4139 1.7565 1.7565 1.9921 1.9921 2.0654 2.0654 2.3437 2.3437 2.7919 2.7919 2.9663 2.9663 3.1899 3.1899 3.3758 3.3758 3.5498 3.5498 3.9458 3.9458 6.0022 6.0022 6.3391 6.3391 6.6314 6.6314 6.7294 6.7294 7.0065 7.0065 k = 0.7108-0.6396 0.0159 ( 7776 PWs) bands (ev): -8.4542 -8.4542 -8.3500 -8.3500 -7.7620 -7.7620 -7.6085 -7.6085 -6.9417 -6.9417 -6.6000 -6.6000 -6.2902 -6.2902 -5.8846 -5.8846 -0.5327 -0.5327 -0.4008 -0.4008 -0.2514 -0.2514 -0.0837 -0.0837 0.5658 0.5658 0.6741 0.6741 1.3074 1.3074 1.4439 1.4439 1.7767 1.7767 2.0098 2.0098 2.0974 2.0974 2.3586 2.3586 2.7984 2.7984 2.9596 2.9596 3.1764 3.1764 3.3523 3.3523 3.5581 3.5581 3.9316 3.9316 5.9995 5.9995 6.3069 6.3069 6.5887 6.5887 6.6843 6.6843 6.9785 6.9785 k = 0.7174-0.6638 0.0159 ( 7774 PWs) bands (ev): -8.4395 -8.4395 -8.3408 -8.3408 -7.7496 -7.7496 -7.5924 -7.5924 -6.9150 -6.9150 -6.6011 -6.6011 -6.3011 -6.3011 -5.9388 -5.9388 -0.5606 -0.5606 -0.4357 -0.4357 -0.2837 -0.2837 -0.1127 -0.1127 0.5340 0.5340 0.6725 0.6725 1.3231 1.3231 1.4763 1.4763 1.7980 1.7980 2.0292 2.0292 2.1337 2.1337 2.3753 2.3753 2.8090 2.8090 2.9557 2.9557 3.1630 3.1630 3.3319 3.3319 3.5671 3.5671 3.9172 3.9172 5.9936 5.9936 6.2742 6.2742 6.5440 6.5440 6.6392 6.6392 6.9455 6.9455 k = 0.7240-0.6880 0.0159 ( 7784 PWs) bands (ev): -8.4272 -8.4272 -8.3330 -8.3330 -7.7408 -7.7408 -7.5786 -7.5786 -6.8856 -6.8856 -6.6142 -6.6142 -6.2954 -6.2954 -5.9918 -5.9918 -0.5851 -0.5851 -0.4698 -0.4698 -0.3120 -0.3120 -0.1428 -0.1428 0.5017 0.5017 0.6704 0.6704 1.3416 1.3416 1.5109 1.5109 1.8202 1.8202 2.0501 2.0501 2.1733 2.1733 2.3942 2.3942 2.8232 2.8232 2.9540 2.9540 3.1504 3.1504 3.3148 3.3148 3.5763 3.5763 3.9025 3.9025 5.9842 5.9842 6.2412 6.2412 6.4981 6.4981 6.5948 6.5948 6.9082 6.9082 k = 0.7306-0.7123 0.0159 ( 7786 PWs) bands (ev): -8.4175 -8.4175 -8.3270 -8.3270 -7.7358 -7.7358 -7.5673 -7.5673 -6.8534 -6.8534 -6.6363 -6.6363 -6.2754 -6.2754 -6.0433 -6.0433 -0.6060 -0.6060 -0.5025 -0.5025 -0.3367 -0.3367 -0.1736 -0.1736 0.4692 0.4692 0.6678 0.6678 1.3627 1.3627 1.5475 1.5475 1.8436 1.8436 2.0726 2.0726 2.2156 2.2156 2.4154 2.4154 2.8402 2.8402 2.9540 2.9540 3.1390 3.1390 3.3015 3.3015 3.5856 3.5856 3.8880 3.8880 5.9708 5.9708 6.2083 6.2083 6.4522 6.4522 6.5517 6.5517 6.8674 6.8674 k = 0.7372-0.7365 0.0159 ( 7778 PWs) bands (ev): -8.4102 -8.4102 -8.3227 -8.3227 -7.7348 -7.7348 -7.5587 -7.5587 -6.8185 -6.8185 -6.6634 -6.6634 -6.2453 -6.2453 -6.0930 -6.0930 -0.6231 -0.6231 -0.5335 -0.5335 -0.3576 -0.3576 -0.2045 -0.2045 0.4364 0.4364 0.6650 0.6650 1.3860 1.3860 1.5858 1.5858 1.8686 1.8686 2.0965 2.0965 2.2598 2.2598 2.4390 2.4390 2.8591 2.8591 2.9553 2.9553 3.1293 3.1293 3.2922 3.2922 3.5947 3.5947 3.8738 3.8738 5.9533 5.9533 6.1754 6.1754 6.4073 6.4073 6.5102 6.5102 6.8237 6.8237 k = 0.7438-0.7607 0.0159 ( 7774 PWs) bands (ev): -8.4055 -8.4055 -8.3204 -8.3204 -7.7378 -7.7378 -7.5530 -7.5530 -6.7813 -6.7813 -6.6922 -6.6922 -6.2081 -6.2081 -6.1404 -6.1404 -0.6362 -0.6362 -0.5626 -0.5626 -0.3746 -0.3746 -0.2351 -0.2351 0.4033 0.4033 0.6620 0.6620 1.4112 1.4112 1.6253 1.6253 1.8955 1.8955 2.1219 2.1219 2.3051 2.3051 2.4645 2.4645 2.8787 2.8787 2.9582 2.9582 3.1219 3.1219 3.2872 3.2872 3.6034 3.6034 3.8603 3.8603 5.9321 5.9321 6.1420 6.1420 6.3643 6.3643 6.4706 6.4706 6.7776 6.7776 k = 0.2562-0.9425 0.4220 ( 7774 PWs) bands (ev): -8.4055 -8.4055 -8.3204 -8.3204 -7.7378 -7.7378 -7.5530 -7.5530 -6.7813 -6.7813 -6.6922 -6.6922 -6.2081 -6.2081 -6.1404 -6.1404 -0.6362 -0.6362 -0.5626 -0.5626 -0.3746 -0.3746 -0.2351 -0.2351 0.4033 0.4033 0.6620 0.6620 1.4112 1.4112 1.6253 1.6253 1.8955 1.8955 2.1219 2.1219 2.3051 2.3051 2.4645 2.4645 2.8787 2.8787 2.9582 2.9582 3.1219 3.1219 3.2872 3.2872 3.6034 3.6034 3.8603 3.8603 5.9321 5.9321 6.1420 6.1420 6.3643 6.3643 6.4706 6.4706 6.7776 6.7776 k = 0.2497-0.9184 0.4220 ( 7782 PWs) bands (ev): -8.4034 -8.4034 -8.3202 -8.3202 -7.7445 -7.7445 -7.5500 -7.5500 -6.7425 -6.7425 -6.7205 -6.7205 -6.1849 -6.1849 -6.1661 -6.1661 -0.6455 -0.6455 -0.5892 -0.5892 -0.3876 -0.3876 -0.2649 -0.2649 0.3700 0.3700 0.6592 0.6592 1.4380 1.4380 1.6653 1.6653 1.9248 1.9248 2.1487 2.1487 2.3507 2.3507 2.4914 2.4914 2.8973 2.8973 2.9633 2.9633 3.1172 3.1172 3.2870 3.2870 3.6112 3.6112 3.8479 3.8479 5.9078 5.9078 6.1077 6.1077 6.3241 6.3241 6.4331 6.4331 6.7298 6.7298 k = 0.2431-0.8942 0.4220 ( 7780 PWs) bands (ev): -8.4039 -8.4039 -8.3224 -8.3224 -7.7547 -7.7547 -7.5497 -7.5497 -6.7474 -6.7474 -6.7029 -6.7029 -6.2258 -6.2258 -6.1205 -6.1205 -0.6518 -0.6518 -0.6123 -0.6123 -0.3964 -0.3964 -0.2934 -0.2934 0.3362 0.3362 0.6565 0.6565 1.4662 1.4662 1.7051 1.7051 1.9570 1.9570 2.1770 2.1770 2.3964 2.3964 2.5187 2.5187 2.9130 2.9130 2.9722 2.9722 3.1156 3.1156 3.2916 3.2916 3.6180 3.6180 3.8370 3.8370 5.8814 5.8814 6.0718 6.0718 6.2868 6.2868 6.3977 6.3977 6.6808 6.6808 k = 0.2365-0.8700 0.4220 ( 7774 PWs) bands (ev): -8.4068 -8.4068 -8.3270 -8.3270 -7.7680 -7.7680 -7.5519 -7.5519 -6.7722 -6.7722 -6.6642 -6.6642 -6.2615 -6.2615 -6.0721 -6.0721 -0.6587 -0.6587 -0.6284 -0.6284 -0.4009 -0.4009 -0.3202 -0.3202 0.3021 0.3021 0.6542 0.6542 1.4958 1.4958 1.7443 1.7443 1.9926 1.9926 2.2066 2.2066 2.4415 2.4415 2.5451 2.5451 2.9248 2.9248 2.9857 2.9857 3.1178 3.1178 3.3011 3.3011 3.6235 3.6235 3.8280 3.8280 5.8538 5.8538 6.0343 6.0343 6.2523 6.2523 6.3642 6.3642 6.6309 6.6309 k = 0.2300-0.8459 0.4220 ( 7778 PWs) bands (ev): -8.4122 -8.4122 -8.3343 -8.3343 -7.7837 -7.7837 -7.5564 -7.5564 -6.7949 -6.7949 -6.6293 -6.6293 -6.2896 -6.2896 -6.0216 -6.0216 -0.6718 -0.6718 -0.6314 -0.6314 -0.4012 -0.4012 -0.3447 -0.3447 0.2675 0.2675 0.6521 0.6521 1.5268 1.5268 1.7822 1.7822 2.0316 2.0316 2.2372 2.2372 2.4858 2.4858 2.5693 2.5693 2.9339 2.9339 3.0023 3.0023 3.1246 3.1246 3.3151 3.3151 3.6273 3.6273 3.8215 3.8215 5.8259 5.8259 5.9955 5.9955 6.2198 6.2198 6.3326 6.3326 6.5807 6.5807 k = 0.2234-0.8217 0.4220 ( 7770 PWs) bands (ev): -8.4198 -8.4198 -8.3445 -8.3445 -7.8013 -7.8013 -7.5631 -7.5631 -6.8155 -6.8155 -6.6024 -6.6024 -6.3060 -6.3060 -5.9695 -5.9695 -0.6882 -0.6882 -0.6241 -0.6241 -0.3981 -0.3981 -0.3654 -0.3654 0.2326 0.2326 0.6504 0.6504 1.5592 1.5592 1.8187 1.8187 2.0739 2.0739 2.2685 2.2685 2.5291 2.5291 2.5899 2.5899 2.9430 2.9430 3.0194 3.0194 3.1374 3.1374 3.3329 3.3329 3.6294 3.6294 3.8179 3.8179 5.7985 5.7985 5.9559 5.9559 6.1887 6.1887 6.3022 6.3022 6.5306 6.5306 k = 0.2168-0.7975 0.4220 ( 7778 PWs) bands (ev): -8.4298 -8.4298 -8.3575 -8.3575 -7.8202 -7.8202 -7.5716 -7.5716 -6.8342 -6.8342 -6.5887 -6.5887 -6.3060 -6.3060 -5.9162 -5.9162 -0.7039 -0.7039 -0.6103 -0.6103 -0.3979 -0.3979 -0.3760 -0.3760 0.1974 0.1974 0.6490 0.6490 1.5931 1.5931 1.8536 1.8536 2.1187 2.1187 2.3000 2.3000 2.5707 2.5707 2.6065 2.6065 2.9535 2.9535 3.0352 3.0352 3.1573 3.1573 3.3537 3.3537 3.6298 3.6298 3.8173 3.8173 5.7719 5.7719 5.9164 5.9164 6.1586 6.1586 6.2726 6.2726 6.4809 6.4809 k = 0.2102-0.7734 0.4220 ( 7770 PWs) bands (ev): -8.4418 -8.4418 -8.3736 -8.3736 -7.8396 -7.8396 -7.5816 -7.5816 -6.8512 -6.8512 -6.5904 -6.5904 -6.2878 -6.2878 -5.8620 -5.8620 -0.7175 -0.7175 -0.5913 -0.5913 -0.4088 -0.4088 -0.3680 -0.3680 0.1621 0.1621 0.6481 0.6481 1.6285 1.6285 1.8871 1.8871 2.1649 2.1649 2.3313 2.3313 2.6062 2.6062 2.6230 2.6230 2.9664 2.9664 3.0494 3.0494 3.1842 3.1842 3.3765 3.3765 3.6291 3.6291 3.8200 3.8200 5.7462 5.7462 5.8778 5.8778 6.1293 6.1293 6.2430 6.2430 6.4320 6.4320 k = 0.2037-0.7492 0.4220 ( 7782 PWs) bands (ev): -8.4558 -8.4558 -8.3927 -8.3927 -7.8592 -7.8592 -7.5931 -7.5931 -6.8668 -6.8668 -6.6047 -6.6047 -6.2545 -6.2545 -5.8073 -5.8073 -0.7283 -0.7283 -0.5674 -0.5674 -0.4203 -0.4203 -0.3514 -0.3514 0.1266 0.1266 0.6476 0.6476 1.6655 1.6655 1.9195 1.9195 2.2109 2.2109 2.3624 2.3624 2.6196 2.6196 2.6556 2.6556 2.9817 2.9817 3.0631 3.0631 3.2175 3.2175 3.4000 3.4000 3.6279 3.6279 3.8259 3.8259 5.7208 5.7208 5.8411 5.8411 6.1007 6.1007 6.2128 6.2128 6.3845 6.3845 k = 0.1971-0.7250 0.4220 ( 7786 PWs) bands (ev): -8.4717 -8.4717 -8.4147 -8.4147 -7.8783 -7.8783 -7.6056 -7.6056 -6.8813 -6.8813 -6.6269 -6.6269 -6.2112 -6.2112 -5.7524 -5.7524 -0.7361 -0.7361 -0.5392 -0.5392 -0.4285 -0.4285 -0.3302 -0.3302 0.0913 0.0913 0.6477 0.6477 1.7042 1.7042 1.9507 1.9507 2.2544 2.2544 2.3937 2.3937 2.6238 2.6238 2.6915 2.6915 2.9993 2.9993 3.0773 3.0773 3.2559 3.2559 3.4228 3.4228 3.6272 3.6272 3.8350 3.8350 5.6945 5.6945 5.8076 5.8076 6.0731 6.0731 6.1818 6.1818 6.3392 6.3392 k = 0.1905-0.7009 0.4220 ( 7798 PWs) bands (ev): -8.4892 -8.4892 -8.4395 -8.4395 -7.8968 -7.8968 -7.6191 -7.6191 -6.8949 -6.8949 -6.6532 -6.6532 -6.1621 -6.1621 -5.6976 -5.6976 -0.7403 -0.7403 -0.5076 -0.5076 -0.4318 -0.4318 -0.3052 -0.3052 0.0563 0.0563 0.6486 0.6486 1.7444 1.7444 1.9809 1.9809 2.2933 2.2933 2.4261 2.4261 2.6257 2.6257 2.7241 2.7241 3.0191 3.0191 3.0936 3.0936 3.2983 3.2983 3.4433 3.4433 3.6279 3.6279 3.8473 3.8473 5.6656 5.6656 5.7789 5.7789 6.0462 6.0462 6.1502 6.1502 6.2973 6.2973 k = 0.1840-0.6767 0.4220 ( 7796 PWs) bands (ev): -8.5082 -8.5082 -8.4667 -8.4667 -7.9144 -7.9144 -7.6333 -7.6333 -6.9078 -6.9078 -6.6816 -6.6816 -6.1096 -6.1096 -5.6432 -5.6432 -0.7408 -0.7408 -0.4752 -0.4752 -0.4275 -0.4275 -0.2770 -0.2770 0.0220 0.0220 0.6505 0.6505 1.7861 1.7861 2.0098 2.0098 2.3253 2.3253 2.4599 2.4599 2.6277 2.6277 2.7520 2.7520 3.0405 3.0405 3.1131 3.1131 3.3436 3.3436 3.4604 3.4604 3.6306 3.6306 3.8631 3.8631 5.6331 5.6331 5.7556 5.7556 6.0195 6.0195 6.1189 6.1189 6.2599 6.2599 k = 0.1774-0.6525 0.4220 ( 7806 PWs) bands (ev): -8.5284 -8.5284 -8.4960 -8.4960 -7.9309 -7.9309 -7.6480 -7.6480 -6.9203 -6.9203 -6.7107 -6.7107 -6.0554 -6.0554 -5.5896 -5.5896 -0.7372 -0.7372 -0.4506 -0.4506 -0.4072 -0.4072 -0.2462 -0.2462 -0.0113 -0.0113 0.6537 0.6537 1.8289 1.8289 2.0369 2.0369 2.3499 2.3499 2.4943 2.4943 2.6317 2.6317 2.7741 2.7741 3.0622 3.0622 3.1371 3.1371 3.3908 3.3908 3.4737 3.4737 3.6354 3.6354 3.8826 3.8826 5.5969 5.5969 5.7370 5.7370 5.9920 5.9920 6.0897 6.0897 6.2280 6.2280 k = 0.1708-0.6284 0.4220 ( 7804 PWs) bands (ev): -8.5499 -8.5499 -8.5271 -8.5271 -7.9465 -7.9465 -7.6631 -7.6631 -6.9324 -6.9324 -6.7398 -6.7398 -6.0005 -6.0005 -5.5369 -5.5369 -0.7293 -0.7293 -0.4357 -0.4357 -0.3695 -0.3695 -0.2133 -0.2133 -0.0428 -0.0428 0.6586 0.6586 1.8725 1.8725 2.0619 2.0619 2.3681 2.3681 2.5267 2.5267 2.6403 2.6403 2.7902 2.7902 3.0829 3.0829 3.1660 3.1660 3.4380 3.4380 3.4851 3.4851 3.6416 3.6416 3.9060 3.9060 5.5583 5.5583 5.7214 5.7214 5.9620 5.9620 6.0656 6.0656 6.2023 6.2023 k = 0.1643-0.6042 0.4220 ( 7806 PWs) bands (ev): -8.5723 -8.5723 -8.5594 -8.5594 -7.9611 -7.9611 -7.6784 -7.6784 -6.9442 -6.9442 -6.7687 -6.7687 -5.9456 -5.9456 -5.4853 -5.4853 -0.7168 -0.7168 -0.4214 -0.4214 -0.3250 -0.3250 -0.1790 -0.1790 -0.0709 -0.0709 0.6656 0.6656 1.9164 1.9164 2.0839 2.0839 2.3814 2.3814 2.5543 2.5543 2.6553 2.6553 2.8012 2.8012 3.1018 3.1018 3.1986 3.1986 3.4734 3.4734 3.5071 3.5071 3.6483 3.6483 3.9329 3.9329 5.5188 5.5188 5.7066 5.7066 5.9290 5.9290 6.0489 6.0489 6.1828 6.1828 k = 0.1577-0.5800 0.4220 ( 7810 PWs) bands (ev): -8.5963 -8.5963 -8.5918 -8.5918 -7.9748 -7.9748 -7.6939 -7.6939 -6.9558 -6.9558 -6.7970 -6.7970 -5.8913 -5.8913 -5.4353 -5.4353 -0.6995 -0.6995 -0.4044 -0.4044 -0.2801 -0.2801 -0.1442 -0.1442 -0.0923 -0.0923 0.6751 0.6751 1.9597 1.9597 2.1026 2.1026 2.3918 2.3918 2.5760 2.5760 2.6767 2.6767 2.8083 2.8083 3.1190 3.1190 3.2318 3.2318 3.4859 3.4859 3.5518 3.5518 3.6552 3.6552 3.9625 3.9625 5.4799 5.4799 5.6908 5.6908 5.8942 5.8942 6.0401 6.0401 6.1690 6.1690 k = 0.1511-0.5559 0.4220 ( 7808 PWs) bands (ev): -8.6277 -8.6277 -8.6179 -8.6179 -7.9877 -7.9877 -7.7093 -7.7093 -6.9673 -6.9673 -6.8246 -6.8246 -5.8379 -5.8379 -5.3869 -5.3869 -0.6773 -0.6773 -0.3848 -0.3848 -0.2428 -0.2428 -0.1125 -0.1125 -0.0957 -0.0957 0.6878 0.6878 2.0010 2.0010 2.1178 2.1178 2.4009 2.4009 2.5933 2.5933 2.7014 2.7014 2.8135 2.8135 3.1345 3.1345 3.2623 3.2623 3.4939 3.4939 3.5988 3.5988 3.6656 3.6656 3.9939 3.9939 5.4433 5.4433 5.6726 5.6726 5.8595 5.8595 6.0386 6.0386 6.1603 6.1603 k = 0.1445-0.5317 0.4220 ( 7806 PWs) bands (ev): -8.6619 -8.6619 -8.6420 -8.6420 -7.9999 -7.9999 -7.7247 -7.7247 -6.9787 -6.9787 -6.8513 -6.8513 -5.7859 -5.7859 -5.3403 -5.3403 -0.6500 -0.6500 -0.3647 -0.3647 -0.2239 -0.2239 -0.0881 -0.0881 -0.0653 -0.0653 0.7042 0.7042 2.0380 2.0380 2.1305 2.1305 2.4102 2.4102 2.6086 2.6086 2.7245 2.7245 2.8197 2.8197 3.1481 3.1481 3.2875 3.2875 3.5024 3.5024 3.6315 3.6315 3.6918 3.6918 4.0256 4.0256 5.4105 5.4105 5.6516 5.6516 5.8267 5.8267 6.0432 6.0432 6.1558 6.1558 k = 0.1380-0.5075 0.4220 ( 7806 PWs) bands (ev): -8.6961 -8.6961 -8.6660 -8.6660 -8.0114 -8.0114 -7.7398 -7.7398 -6.9899 -6.9899 -6.8772 -6.8772 -5.7355 -5.7355 -5.2958 -5.2958 -0.6174 -0.6174 -0.3492 -0.3492 -0.2170 -0.2170 -0.0536 -0.0536 -0.0205 -0.0205 0.7248 0.7248 2.0668 2.0668 2.1433 2.1433 2.4209 2.4209 2.6229 2.6229 2.7409 2.7409 2.8316 2.8316 3.1593 3.1593 3.3063 3.3063 3.5101 3.5101 3.6459 3.6459 3.7384 3.7384 4.0565 4.0565 5.3831 5.3831 5.6286 5.6286 5.7969 5.7969 6.0525 6.0525 6.1547 6.1547 k = 0.1314-0.4834 0.4220 ( 7806 PWs) bands (ev): -8.7300 -8.7300 -8.6900 -8.6900 -8.0224 -8.0224 -7.7547 -7.7547 -7.0010 -7.0010 -6.9022 -6.9022 -5.6869 -5.6869 -5.2534 -5.2534 -0.5796 -0.5796 -0.3454 -0.3454 -0.2028 -0.2028 -0.0203 -0.0203 0.0369 0.0369 0.7501 0.7501 2.0829 2.0829 2.1598 2.1598 2.4343 2.4343 2.6363 2.6363 2.7472 2.7472 2.8522 2.8522 3.1677 3.1677 3.3199 3.3199 3.5132 3.5132 3.6567 3.6567 3.7917 3.7917 4.0859 4.0859 5.3625 5.3625 5.6049 5.6049 5.7702 5.7702 6.0650 6.0650 6.1562 6.1562 k = 0.1248-0.4592 0.4220 ( 7804 PWs) bands (ev): -8.7634 -8.7634 -8.7137 -8.7137 -8.0329 -8.0329 -7.7693 -7.7693 -7.0120 -7.0120 -6.9262 -6.9262 -5.6404 -5.6404 -5.2133 -5.2133 -0.5365 -0.5365 -0.3550 -0.3550 -0.1733 -0.1733 0.0089 0.0089 0.1030 0.1030 0.7802 0.7802 2.0868 2.0868 2.1788 2.1788 2.4511 2.4511 2.6484 2.6484 2.7452 2.7452 2.8799 2.8799 3.1727 3.1727 3.3306 3.3306 3.5085 3.5085 3.6694 3.6694 3.8452 3.8452 4.1137 4.1137 5.3498 5.3498 5.5827 5.5827 5.7463 5.7463 6.0791 6.0791 6.1595 6.1595 k = 0.1183-0.4350 0.4220 ( 7808 PWs) bands (ev): -8.7960 -8.7960 -8.7371 -8.7371 -8.0428 -8.0428 -7.7834 -7.7834 -7.0227 -7.0227 -6.9492 -6.9492 -5.5962 -5.5962 -5.1755 -5.1755 -0.4883 -0.4883 -0.3726 -0.3726 -0.1319 -0.1319 0.0350 0.0350 0.1741 0.1741 0.8152 0.8152 2.0826 2.0826 2.1960 2.1960 2.4713 2.4713 2.6588 2.6588 2.7383 2.7383 2.9106 2.9106 3.1747 3.1747 3.3397 3.3397 3.4960 3.4960 3.6827 3.6827 3.8962 3.8962 4.1405 4.1405 5.3455 5.3455 5.5641 5.5641 5.7250 5.7250 6.0930 6.0930 6.1640 6.1640 k = 0.1117-0.4109 0.4220 ( 7810 PWs) bands (ev): -8.8276 -8.8276 -8.7600 -8.7600 -8.0523 -8.0523 -7.7972 -7.7972 -7.0332 -7.0332 -6.9711 -6.9711 -5.5543 -5.5543 -5.1402 -5.1402 -0.4367 -0.4367 -0.3922 -0.3922 -0.0834 -0.0834 0.0595 0.0595 0.2484 0.2484 0.8547 0.8547 2.0736 2.0736 2.2087 2.2087 2.4941 2.4941 2.6673 2.6673 2.7286 2.7286 2.9405 2.9405 3.1753 3.1753 3.3473 3.3473 3.4784 3.4784 3.6933 3.6933 3.9429 3.9429 4.1677 4.1677 5.3492 5.3492 5.5513 5.5513 5.7060 5.7060 6.1053 6.1053 6.1694 6.1694 k = 0.1051-0.3867 0.4220 ( 7810 PWs) bands (ev): -8.8581 -8.8581 -8.7823 -8.7823 -8.0614 -8.0614 -7.8104 -7.8104 -7.0435 -7.0435 -6.9920 -6.9920 -5.5149 -5.5149 -5.1072 -5.1072 -0.4217 -0.4217 -0.3713 -0.3713 -0.0324 -0.0324 0.0854 0.0854 0.3250 0.3250 0.8983 0.8983 2.0617 2.0617 2.2163 2.2163 2.5175 2.5175 2.6737 2.6737 2.7177 2.7177 2.9654 2.9654 3.1773 3.1773 3.3501 3.3501 3.4612 3.4612 3.6989 3.6989 3.9841 3.9841 4.1963 4.1963 5.3598 5.3598 5.5458 5.5458 5.6895 5.6895 6.1147 6.1147 6.1753 6.1753 k = 0.0986-0.3625 0.4220 ( 7804 PWs) bands (ev): -8.8872 -8.8872 -8.8038 -8.8038 -8.0700 -8.0700 -7.8230 -7.8230 -7.0534 -7.0534 -7.0117 -7.0117 -5.4780 -5.4780 -5.0767 -5.0767 -0.4430 -0.4430 -0.3093 -0.3093 0.0134 0.0134 0.1196 0.1196 0.4030 0.4030 0.9453 0.9453 2.0477 2.0477 2.2194 2.2194 2.5390 2.5390 2.6771 2.6771 2.7078 2.7078 2.9807 2.9807 3.1830 3.1830 3.3421 3.3421 3.4523 3.4523 3.6987 3.6987 4.0193 4.0193 4.2269 4.2269 5.3756 5.3756 5.5483 5.5483 5.6758 5.6758 6.1210 6.1210 6.1810 6.1810 k = 0.0920-0.3383 0.4220 ( 7804 PWs) bands (ev): -8.9150 -8.9150 -8.8244 -8.8244 -8.0782 -8.0782 -7.8351 -7.8351 -7.0629 -7.0629 -7.0303 -7.0303 -5.4437 -5.4437 -5.0487 -5.0487 -0.4653 -0.4653 -0.2415 -0.2415 0.0457 0.0457 0.1703 0.1703 0.4819 0.4819 0.9948 0.9948 2.0322 2.0322 2.2187 2.2187 2.5554 2.5554 2.6744 2.6744 2.7034 2.7034 2.9842 2.9842 3.1899 3.1899 3.3241 3.3241 3.4556 3.4556 3.6945 3.6945 4.0486 4.0486 4.2589 4.2589 5.3945 5.3945 5.5580 5.5580 5.6664 5.6664 6.1242 6.1242 6.1857 6.1857 k = 0.0854-0.3142 0.4220 ( 7806 PWs) bands (ev): -8.9412 -8.9412 -8.8440 -8.8440 -8.0859 -8.0859 -7.8465 -7.8465 -7.0721 -7.0721 -7.0477 -7.0477 -5.4120 -5.4120 -5.0230 -5.0230 -0.4870 -0.4870 -0.1696 -0.1696 0.0656 0.0656 0.2366 0.2366 0.5610 0.5610 1.0458 1.0458 2.0154 2.0154 2.2150 2.2150 2.5638 2.5638 2.6652 2.6652 2.7058 2.7058 2.9774 2.9774 3.1856 3.1856 3.3098 3.3098 3.4669 3.4669 3.6895 3.6895 4.0730 4.0730 4.2912 4.2912 5.4148 5.4148 5.5711 5.5711 5.6640 5.6640 6.1251 6.1251 6.1889 6.1889 k = 0.0788-0.2900 0.4220 ( 7808 PWs) bands (ev): -8.9658 -8.9658 -8.8625 -8.8625 -8.0931 -8.0931 -7.8572 -7.8572 -7.0808 -7.0808 -7.0640 -7.0640 -5.3830 -5.3830 -4.9996 -4.9996 -0.5076 -0.5076 -0.0953 -0.0953 0.0799 0.0799 0.3128 0.3128 0.6397 0.6397 1.0974 1.0974 1.9976 1.9976 2.2088 2.2088 2.5622 2.5622 2.6536 2.6536 2.7109 2.7109 2.9641 2.9641 3.1583 3.1583 3.3101 3.3101 3.4826 3.4826 3.6883 3.6883 4.0931 4.0931 4.3224 4.3224 5.4353 5.4353 5.5811 5.5811 5.6727 5.6727 6.1249 6.1249 6.1905 6.1905 k = 0.0723-0.2658 0.4220 ( 7808 PWs) bands (ev): -8.9887 -8.9887 -8.8798 -8.8798 -8.0999 -8.0999 -7.8673 -7.8673 -7.0890 -7.0890 -7.0790 -7.0790 -5.3565 -5.3565 -4.9785 -4.9785 -0.5270 -0.5270 -0.0228 -0.0228 0.0957 0.0957 0.3953 0.3953 0.7173 0.7173 1.1485 1.1485 1.9784 1.9784 2.2003 2.2003 2.5505 2.5505 2.6412 2.6412 2.7149 2.7149 2.9484 2.9484 3.1146 3.1146 3.3153 3.3153 3.5026 3.5026 3.6944 3.6944 4.1099 4.1099 4.3513 4.3513 5.4546 5.4546 5.5849 5.5849 5.6927 5.6927 6.1248 6.1248 6.1907 6.1907 k = 0.0657-0.2417 0.4220 ( 7804 PWs) bands (ev): -9.0097 -9.0097 -8.8959 -8.8959 -8.1062 -8.1062 -7.8765 -7.8765 -7.0969 -7.0969 -7.0925 -7.0925 -5.3326 -5.3326 -4.9597 -4.9597 -0.5449 -0.5449 0.0335 0.0335 0.1286 0.1286 0.4821 0.4821 0.7934 0.7934 1.1983 1.1983 1.9576 1.9576 2.1896 2.1896 2.5304 2.5304 2.6273 2.6273 2.7140 2.7140 2.9330 2.9330 3.0661 3.0661 3.3133 3.3133 3.5288 3.5288 3.7087 3.7087 4.1241 4.1241 4.3772 4.3772 5.4713 5.4713 5.5855 5.5855 5.7175 5.7175 6.1266 6.1266 6.1904 6.1904 k = 0.0591-0.2175 0.4220 ( 7802 PWs) bands (ev): -9.0290 -9.0290 -8.9107 -8.9107 -8.1119 -8.1119 -7.8850 -7.8850 -7.1063 -7.1063 -7.1026 -7.1026 -5.3112 -5.3112 -4.9429 -4.9429 -0.5614 -0.5614 0.0584 0.0584 0.1939 0.1939 0.5718 0.5718 0.8671 0.8671 1.2458 1.2458 1.9346 1.9346 2.1764 2.1764 2.5039 2.5039 2.6109 2.6109 2.7045 2.7045 2.9199 2.9199 3.0212 3.0212 3.3007 3.3007 3.5611 3.5611 3.7298 3.7298 4.1368 4.1368 4.3994 4.3994 5.4838 5.4838 5.5866 5.5866 5.7400 5.7400 6.1318 6.1318 6.1909 6.1909 k = 0.0526-0.1933 0.4220 ( 7800 PWs) bands (ev): -9.0463 -9.0463 -8.9241 -8.9241 -8.1171 -8.1171 -7.8926 -7.8926 -7.1172 -7.1172 -7.1094 -7.1094 -5.2922 -5.2922 -4.9282 -4.9282 -0.5763 -0.5763 0.0671 0.0671 0.2763 0.2763 0.6629 0.6629 0.9379 0.9379 1.2902 1.2902 1.9088 1.9088 2.1604 2.1604 2.4731 2.4731 2.5915 2.5915 2.6833 2.6833 2.9098 2.9098 2.9868 2.9868 3.2800 3.2800 3.5974 3.5974 3.7546 3.7546 4.1488 4.1488 4.4178 4.4178 5.4908 5.4908 5.5900 5.5900 5.7556 5.7556 6.1408 6.1408 6.1940 6.1940 k = 0.0460-0.1692 0.4220 ( 7794 PWs) bands (ev): -9.0618 -9.0618 -8.9360 -8.9360 -8.1218 -8.1218 -7.8995 -7.8995 -7.1271 -7.1271 -7.1152 -7.1152 -5.2757 -5.2757 -4.9154 -4.9154 -0.5896 -0.5896 0.0707 0.0707 0.3640 0.3640 0.7540 0.7540 1.0053 1.0053 1.3306 1.3306 1.8797 1.8797 2.1407 2.1407 2.4401 2.4401 2.5681 2.5681 2.6514 2.6514 2.9022 2.9022 2.9669 2.9669 3.2542 3.2542 3.6350 3.6350 3.7805 3.7805 4.1609 4.1609 4.4320 4.4320 5.4927 5.4927 5.5953 5.5953 5.7624 5.7624 6.1509 6.1509 6.2031 6.2031 k = 0.0394-0.1450 0.4220 ( 7798 PWs) bands (ev): -9.0752 -9.0752 -8.9464 -8.9464 -8.1258 -8.1258 -7.9054 -7.9054 -7.1358 -7.1358 -7.1203 -7.1203 -5.2615 -5.2615 -4.9045 -4.9045 -0.6012 -0.6012 0.0721 0.0721 0.4528 0.4528 0.8427 0.8427 1.0689 1.0689 1.3665 1.3665 1.8471 1.8471 2.1161 2.1161 2.4068 2.4068 2.5393 2.5393 2.6155 2.6155 2.8967 2.8967 2.9606 2.9606 3.2258 3.2258 3.6718 3.6718 3.8048 3.8048 4.1739 4.1739 4.4421 4.4421 5.4911 5.4911 5.6013 5.6013 5.7610 5.7610 6.1579 6.1579 6.2211 6.2211 k = 0.0329-0.1208 0.4220 ( 7794 PWs) bands (ev): -9.0866 -9.0866 -8.9553 -8.9553 -8.1293 -8.1293 -7.9105 -7.9105 -7.1432 -7.1432 -7.1246 -7.1246 -5.2496 -5.2496 -4.8954 -4.8954 -0.6111 -0.6111 0.0726 0.0726 0.5402 0.5402 0.9262 0.9262 1.1288 1.1288 1.3968 1.3968 1.8123 1.8123 2.0849 2.0849 2.3750 2.3750 2.5054 2.5054 2.5841 2.5841 2.8931 2.8931 2.9644 2.9644 3.1965 3.1965 3.7063 3.7063 3.8257 3.8257 4.1880 4.1880 4.4482 4.4482 5.4876 5.4876 5.6067 5.6067 5.7537 5.7537 6.1610 6.1610 6.2462 6.2462 k = 0.0263-0.0967 0.4220 ( 7800 PWs) bands (ev): -9.0960 -9.0960 -8.9626 -8.9626 -8.1322 -8.1322 -7.9147 -7.9147 -7.1493 -7.1493 -7.1281 -7.1281 -5.2400 -5.2400 -4.8881 -4.8881 -0.6192 -0.6192 0.0726 0.0726 0.6231 0.6231 1.0005 1.0005 1.1853 1.1853 1.4201 1.4201 1.7791 1.7791 2.0453 2.0453 2.3460 2.3460 2.4713 2.4713 2.5598 2.5598 2.8909 2.8909 2.9751 2.9751 3.1670 3.1670 3.7374 3.7374 3.8419 3.8419 4.2030 4.2030 4.4509 4.4509 5.4834 5.4834 5.6108 5.6108 5.7434 5.7434 6.1620 6.1620 6.2735 6.2735 k = 0.0197-0.0725 0.4220 ( 7806 PWs) bands (ev): -9.1033 -9.1033 -8.9683 -8.9683 -8.1344 -8.1344 -7.9179 -7.9179 -7.1540 -7.1540 -7.1309 -7.1309 -5.2325 -5.2325 -4.8825 -4.8825 -0.6255 -0.6255 0.0724 0.0724 0.6977 0.6977 1.0610 1.0610 1.2382 1.2382 1.4336 1.4336 1.7545 1.7545 1.9966 1.9966 2.3215 2.3215 2.4434 2.4434 2.5415 2.5415 2.8898 2.8898 2.9907 2.9907 3.1379 3.1379 3.7640 3.7640 3.8528 3.8528 4.2177 4.2177 4.4509 4.4509 5.4794 5.4794 5.6135 5.6135 5.7327 5.7327 6.1622 6.1622 6.2994 6.2994 k = 0.0131-0.0483 0.4220 ( 7806 PWs) bands (ev): -9.1085 -9.1085 -8.9724 -8.9724 -8.1360 -8.1360 -7.9203 -7.9203 -7.1574 -7.1574 -7.1329 -7.1329 -5.2272 -5.2272 -4.8785 -4.8785 -0.6301 -0.6301 0.0722 0.0722 0.7589 0.7589 1.1045 1.1045 1.2860 1.2860 1.4341 1.4341 1.7480 1.7480 1.9411 1.9411 2.3034 2.3034 2.4244 2.4244 2.5284 2.5284 2.8891 2.8891 3.0098 3.0098 3.1096 3.1096 3.7851 3.7851 3.8589 3.8589 4.2305 4.2305 4.4492 4.4492 5.4761 5.4761 5.6151 5.6151 5.7236 5.7236 6.1620 6.1620 6.3209 6.3209 k = 0.0066-0.0242 0.4220 ( 7808 PWs) bands (ev): -9.1117 -9.1117 -8.9749 -8.9749 -8.1370 -8.1370 -7.9217 -7.9217 -7.1594 -7.1594 -7.1341 -7.1341 -5.2240 -5.2240 -4.8761 -4.8761 -0.6328 -0.6328 0.0720 0.0720 0.8000 0.8000 1.1301 1.1301 1.3245 1.3245 1.4227 1.4227 1.7633 1.7633 1.8859 1.8859 2.2924 2.2924 2.4137 2.4137 2.5203 2.5203 2.8888 2.8888 3.0317 3.0317 3.0825 3.0825 3.7990 3.7990 3.8613 3.8613 4.2394 4.2394 4.4474 4.4474 5.4740 5.4740 5.6159 5.6159 5.7177 5.7177 6.1618 6.1618 6.3357 6.3357 k = 0.0000 0.0000 0.4220 ( 7810 PWs) bands (ev): -9.1127 -9.1127 -8.9757 -8.9757 -8.1373 -8.1373 -7.9222 -7.9222 -7.1601 -7.1601 -7.1345 -7.1345 -5.2230 -5.2230 -4.8753 -4.8753 -0.6337 -0.6337 0.0719 0.0719 0.8146 0.8146 1.1385 1.1385 1.3421 1.3421 1.4132 1.4132 1.7813 1.7813 1.8544 1.8544 2.2888 2.2888 2.4103 2.4103 2.5176 2.5176 2.8887 2.8887 3.0519 3.0519 3.0606 3.0606 3.8040 3.8040 3.8617 3.8617 4.2427 4.2427 4.4466 4.4466 5.4733 5.4733 5.6161 5.6161 5.7156 5.7156 6.1618 6.1618 6.3411 6.3411 k = 0.0000 0.0000 0.4220 ( 7810 PWs) bands (ev): -9.1127 -9.1127 -8.9757 -8.9757 -8.1373 -8.1373 -7.9222 -7.9222 -7.1601 -7.1601 -7.1345 -7.1345 -5.2230 -5.2230 -4.8753 -4.8753 -0.6337 -0.6337 0.0719 0.0719 0.8146 0.8146 1.1385 1.1385 1.3421 1.3421 1.4132 1.4132 1.7813 1.7813 1.8544 1.8544 2.2888 2.2888 2.4103 2.4103 2.5176 2.5176 2.8887 2.8887 3.0519 3.0519 3.0606 3.0606 3.8040 3.8040 3.8617 3.8617 4.2427 4.2427 4.4466 4.4466 5.4733 5.4733 5.6161 5.6161 5.7156 5.7156 6.1618 6.1618 6.3411 6.3411 k = 0.0244 0.0066 0.4220 ( 7815 PWs) bands (ev): -9.1122 -9.1122 -8.9750 -8.9750 -8.1385 -8.1385 -7.9238 -7.9238 -7.1635 -7.1635 -7.1304 -7.1304 -5.2218 -5.2218 -4.8742 -4.8742 -0.6335 -0.6335 0.0715 0.0715 0.8100 0.8100 1.1343 1.1343 1.3346 1.3346 1.4195 1.4195 1.7558 1.7558 1.8837 1.8837 2.2829 2.2829 2.4227 2.4227 2.5210 2.5210 2.8876 2.8876 3.0517 3.0517 3.0660 3.0660 3.8024 3.8024 3.8620 3.8620 4.2403 4.2403 4.4455 4.4455 5.4723 5.4723 5.6131 5.6131 5.7134 5.7134 6.1628 6.1628 6.3369 6.3369 k = 0.0488 0.0133 0.4220 ( 7817 PWs) bands (ev): -9.1107 -9.1107 -8.9730 -8.9730 -8.1421 -8.1421 -7.9286 -7.9286 -7.1702 -7.1702 -7.1218 -7.1218 -5.2184 -5.2184 -4.8710 -4.8710 -0.6330 -0.6330 0.0703 0.0703 0.7965 0.7965 1.1221 1.1221 1.3153 1.3153 1.4349 1.4349 1.7158 1.7158 1.9347 1.9347 2.2707 2.2707 2.4539 2.4539 2.5311 2.5311 2.8845 2.8845 3.0545 3.0545 3.0788 3.0788 3.7977 3.7977 3.8625 3.8625 4.2336 4.2336 4.4421 4.4421 5.4690 5.4690 5.6044 5.6044 5.7068 5.7068 6.1660 6.1660 6.3247 6.3247 k = 0.0732 0.0199 0.4220 ( 7811 PWs) bands (ev): -9.1081 -9.1081 -8.9696 -8.9696 -8.1479 -8.1479 -7.9365 -7.9365 -7.1769 -7.1769 -7.1119 -7.1119 -5.2127 -5.2127 -4.8658 -4.8658 -0.6320 -0.6320 0.0682 0.0682 0.7749 0.7749 1.1025 1.1025 1.2882 1.2882 1.4552 1.4552 1.6787 1.6787 1.9894 1.9894 2.2594 2.2594 2.4955 2.4955 2.5481 2.5481 2.8803 2.8803 3.0617 3.0617 3.0971 3.0971 3.7901 3.7901 3.8633 3.8633 4.2227 4.2227 4.4364 4.4364 5.4628 5.4628 5.5905 5.5905 5.6963 5.6963 6.1710 6.1710 6.3059 6.3059 k = 0.0976 0.0265 0.4220 ( 7822 PWs) bands (ev): -9.1046 -9.1046 -8.9648 -8.9648 -8.1559 -8.1559 -7.9474 -7.9474 -7.1827 -7.1827 -7.1018 -7.1018 -5.2048 -5.2048 -4.8587 -4.8587 -0.6307 -0.6307 0.0653 0.0653 0.7465 0.7465 1.0760 1.0760 1.2565 1.2565 1.4778 1.4778 1.6471 1.6471 2.0437 2.0437 2.2525 2.2525 2.5402 2.5402 2.5737 2.5737 2.8759 2.8759 3.0735 3.0735 3.1203 3.1203 3.7797 3.7797 3.8641 3.8641 4.2084 4.2084 4.4282 4.4282 5.4527 5.4527 5.5721 5.5721 5.6822 5.6822 6.1772 6.1772 6.2820 6.2820 k = 0.1220 0.0332 0.4220 ( 7817 PWs) bands (ev): -9.1002 -9.1002 -8.9588 -8.9588 -8.1658 -8.1658 -7.9611 -7.9611 -7.1870 -7.1870 -7.0922 -7.0922 -5.1950 -5.1950 -4.8499 -4.8499 -0.6290 -0.6290 0.0615 0.0615 0.7128 0.7128 1.0425 1.0425 1.2234 1.2234 1.5008 1.5008 1.6213 1.6213 2.0957 2.0957 2.2515 2.2515 2.5784 2.5784 2.6137 2.6137 2.8732 2.8732 3.0896 3.0896 3.1480 3.1480 3.7671 3.7671 3.8648 3.8648 4.1913 4.1913 4.4175 4.4175 5.4375 5.4375 5.5502 5.5502 5.6656 5.6656 6.1831 6.1831 6.2554 6.2554 k = 0.1464 0.0398 0.4220 ( 7808 PWs) bands (ev): -9.0949 -9.0949 -8.9516 -8.9516 -8.1774 -8.1774 -7.9772 -7.9772 -7.1897 -7.1897 -7.0834 -7.0834 -5.1832 -5.1832 -4.8396 -4.8396 -0.6269 -0.6269 0.0568 0.0568 0.6752 0.6752 1.0018 1.0018 1.1919 1.1919 1.5218 1.5218 1.6023 1.6023 2.1433 2.1433 2.2574 2.2574 2.6095 2.6095 2.6634 2.6634 2.8747 2.8747 3.1101 3.1101 3.1799 3.1799 3.7524 3.7524 3.8652 3.8652 4.1723 4.1723 4.4041 4.4041 5.4159 5.4159 5.5253 5.5253 5.6477 5.6477 6.1821 6.1821 6.2333 6.2333 k = 0.1708 0.0464 0.4220 ( 7797 PWs) bands (ev): -9.0888 -9.0888 -8.9433 -8.9433 -8.1905 -8.1905 -7.9956 -7.9956 -7.1908 -7.1908 -7.0757 -7.0757 -5.1699 -5.1699 -4.8282 -4.8282 -0.6244 -0.6244 0.0513 0.0513 0.6353 0.6353 0.9551 0.9551 1.1634 1.1634 1.5344 1.5344 1.5950 1.5950 2.1835 2.1835 2.2721 2.2721 2.6385 2.6385 2.7116 2.7116 2.8848 2.8848 3.1348 3.1348 3.2158 3.2158 3.7364 3.7364 3.8650 3.8650 4.1522 4.1522 4.3882 4.3882 5.3873 5.3873 5.4972 5.4972 5.6302 5.6302 6.1616 6.1616 6.2278 6.2278 k = 0.1952 0.0531 0.4220 ( 7799 PWs) bands (ev): -9.0820 -9.0820 -8.9339 -8.9339 -8.2048 -8.2048 -8.0158 -8.0158 -7.1902 -7.1902 -7.0693 -7.0693 -5.1551 -5.1551 -4.8159 -4.8159 -0.6216 -0.6216 0.0449 0.0449 0.5942 0.5942 0.9039 0.9039 1.1384 1.1384 1.5319 1.5319 1.6054 1.6054 2.2136 2.2136 2.2970 2.2970 2.6644 2.6644 2.7517 2.7517 2.9092 2.9092 3.1632 3.1632 3.2554 3.2554 3.7196 3.7196 3.8640 3.8640 4.1320 4.1320 4.3697 4.3697 5.3520 5.3520 5.4651 5.4651 5.6145 5.6145 6.1277 6.1277 6.2190 6.2190 k = 0.2196 0.0597 0.4220 ( 7798 PWs) bands (ev): -9.0747 -9.0747 -8.9236 -8.9236 -8.2199 -8.2199 -8.0374 -8.0374 -7.1881 -7.1881 -7.0642 -7.0642 -5.1393 -5.1393 -4.8031 -4.8031 -0.6185 -0.6185 0.0378 0.0378 0.5530 0.5530 0.8506 0.8506 1.1162 1.1162 1.5206 1.5206 1.6267 1.6267 2.2345 2.2345 2.3298 2.3298 2.6843 2.6843 2.7836 2.7836 2.9488 2.9488 3.1949 3.1949 3.2985 3.2985 3.7031 3.7031 3.8619 3.8619 4.1127 4.1127 4.3489 4.3489 5.3113 5.3113 5.4283 5.4283 5.6013 5.6013 6.0897 6.0897 6.1851 6.1851 k = 0.2440 0.0663 0.4220 ( 7804 PWs) bands (ev): -9.0669 -9.0669 -8.9126 -8.9126 -8.2357 -8.2357 -8.0599 -8.0599 -7.1846 -7.1846 -7.0606 -7.0606 -5.1227 -5.1227 -4.7900 -4.7900 -0.6151 -0.6151 0.0301 0.0301 0.5127 0.5127 0.7969 0.7969 1.0966 1.0966 1.5073 1.5073 1.6519 1.6519 2.2500 2.2500 2.3651 2.3651 2.6963 2.6963 2.8134 2.8134 2.9978 2.9978 3.2292 3.2292 3.3444 3.3444 3.6881 3.6881 3.8582 3.8582 4.0952 4.0952 4.3260 4.3260 5.2663 5.2663 5.3867 5.3867 5.5908 5.5908 6.0504 6.0504 6.1463 6.1463 k = 0.2684 0.0730 0.4220 ( 7805 PWs) bands (ev): -9.0588 -9.0588 -8.9010 -8.9010 -8.2517 -8.2517 -8.0827 -8.0827 -7.1799 -7.1799 -7.0585 -7.0585 -5.1058 -5.1058 -4.7769 -4.7769 -0.6115 -0.6115 0.0219 0.0219 0.4740 0.4740 0.7443 0.7443 1.0790 1.0790 1.4941 1.4941 1.6786 1.6786 2.2620 2.2620 2.3999 2.3999 2.7016 2.7016 2.8452 2.8452 3.0491 3.0491 3.2650 3.2650 3.3924 3.3924 3.6760 3.6760 3.8526 3.8526 4.0806 4.0806 4.3013 4.3013 5.2185 5.2185 5.3409 5.3409 5.5823 5.5823 6.0115 6.0115 6.1064 6.1064 k = 0.2928 0.0796 0.4220 ( 7803 PWs) bands (ev): -9.0506 -9.0506 -8.8891 -8.8891 -8.2676 -8.2676 -8.1055 -8.1055 -7.1742 -7.1742 -7.0578 -7.0578 -5.0889 -5.0889 -4.7643 -4.7643 -0.6077 -0.6077 0.0134 0.0134 0.4376 0.4376 0.6942 0.6942 1.0634 1.0634 1.4817 1.4817 1.7062 1.7062 2.2709 2.2709 2.4323 2.4323 2.7030 2.7030 2.8792 2.8792 3.0978 3.0978 3.3015 3.3015 3.4409 3.4409 3.6688 3.6688 3.8451 3.8451 4.0697 4.0697 4.2753 4.2753 5.1689 5.1689 5.2920 5.2920 5.5755 5.5755 5.9739 5.9739 6.0667 6.0667 k = 0.3172 0.0862 0.4220 ( 7792 PWs) bands (ev): -9.0425 -9.0425 -8.8771 -8.8771 -8.2832 -8.2832 -8.1276 -8.1276 -7.1675 -7.1675 -7.0584 -7.0584 -5.0725 -5.0725 -4.7522 -4.7522 -0.6039 -0.6039 0.0049 0.0049 0.4041 0.4041 0.6476 0.6476 1.0495 1.0495 1.4703 1.4703 1.7339 1.7339 2.2766 2.2766 2.4618 2.4618 2.7030 2.7030 2.9146 2.9146 3.1403 3.1403 3.3381 3.3381 3.4879 3.4879 3.6680 3.6680 3.8365 3.8365 4.0628 4.0628 4.2485 4.2485 5.1189 5.1189 5.2410 5.2410 5.5700 5.5700 5.9385 5.9385 6.0285 6.0285 k = 0.3416 0.0929 0.4220 ( 7800 PWs) bands (ev): -9.0346 -9.0346 -8.8654 -8.8654 -8.2981 -8.2981 -8.1485 -8.1485 -7.1602 -7.1602 -7.0604 -7.0604 -5.0570 -5.0570 -4.7411 -4.7411 -0.6002 -0.6002 -0.0034 -0.0034 0.3739 0.3739 0.6051 0.6051 1.0372 1.0372 1.4601 1.4601 1.7611 1.7611 2.2789 2.2789 2.4881 2.4881 2.7027 2.7027 2.9505 2.9505 3.1735 3.1735 3.3748 3.3748 3.5303 3.5303 3.6744 3.6744 3.8286 3.8286 4.0596 4.0596 4.2220 4.2220 5.0697 5.0697 5.1893 5.1893 5.5655 5.5655 5.9059 5.9059 5.9926 5.9926 k = 0.3660 0.0995 0.4220 ( 7797 PWs) bands (ev): -9.0272 -9.0272 -8.8543 -8.8543 -8.3118 -8.3118 -8.1676 -8.1676 -7.1524 -7.1524 -7.0636 -7.0636 -5.0428 -5.0428 -4.7311 -4.7311 -0.5967 -0.5967 -0.0112 -0.0112 0.3473 0.3473 0.5676 0.5676 1.0267 1.0267 1.4512 1.4512 1.7869 1.7869 2.2785 2.2785 2.5110 2.5110 2.7027 2.7027 2.9861 2.9861 3.1960 3.1960 3.4116 3.4116 3.5654 3.5654 3.6857 3.6857 3.8253 3.8253 4.0590 4.0590 4.1970 4.1970 5.0227 5.0227 5.1383 5.1383 5.5619 5.5619 5.8768 5.8768 5.9600 5.9600 k = 0.3904 0.1061 0.4220 ( 7792 PWs) bands (ev): -9.0204 -9.0204 -8.8443 -8.8443 -8.3242 -8.3242 -8.1844 -8.1844 -7.1443 -7.1443 -7.0680 -7.0680 -5.0303 -5.0303 -4.7224 -4.7224 -0.5934 -0.5934 -0.0183 -0.0183 0.3247 0.3247 0.5356 0.5356 1.0179 1.0179 1.4437 1.4437 1.8102 1.8102 2.2764 2.2764 2.5303 2.5303 2.7028 2.7028 3.0209 3.0209 3.2079 3.2079 3.4478 3.4478 3.5923 3.5923 3.6957 3.6957 3.8315 3.8315 4.0583 4.0583 4.1758 4.1758 4.9796 4.9796 5.0898 5.0898 5.5591 5.5591 5.8517 5.8517 5.9314 5.9314 k = 0.4148 0.1128 0.4220 ( 7794 PWs) bands (ev): -9.0146 -9.0146 -8.8357 -8.8357 -8.3347 -8.3347 -8.1983 -8.1983 -7.1359 -7.1359 -7.0733 -7.0733 -5.0199 -5.0199 -4.7152 -4.7152 -0.5906 -0.5906 -0.0243 -0.0243 0.3063 0.3063 0.5096 0.5096 1.0109 1.0109 1.4376 1.4376 1.8295 1.8295 2.2743 2.2743 2.5458 2.5458 2.7029 2.7029 3.0541 3.0541 3.2104 3.2104 3.4819 3.4819 3.6121 3.6121 3.6988 3.6988 3.8491 3.8491 4.0542 4.0542 4.1614 4.1614 4.9422 4.9422 5.0460 5.0460 5.5571 5.5571 5.8313 5.8313 5.9075 5.9075 k = 0.4392 0.1194 0.4220 ( 7790 PWs) bands (ev): -9.0099 -9.0099 -8.8291 -8.8291 -8.3431 -8.3431 -8.2090 -8.2090 -7.1276 -7.1276 -7.0794 -7.0794 -5.0118 -5.0118 -4.7095 -4.7095 -0.5883 -0.5883 -0.0291 -0.0291 0.2923 0.2923 0.4900 0.4900 1.0056 1.0056 1.4330 1.4330 1.8433 1.8433 2.2738 2.2738 2.5569 2.5569 2.7027 2.7027 3.0852 3.0852 3.2056 3.2056 3.5114 3.5114 3.6261 3.6261 3.6961 3.6961 3.8731 3.8731 4.0444 4.0444 4.1550 4.1550 4.9124 4.9124 5.0092 5.0092 5.5558 5.5558 5.8159 5.8159 5.8888 5.8888 k = 0.4636 0.1260 0.4220 ( 7795 PWs) bands (ev): -9.0065 -9.0065 -8.8247 -8.8247 -8.3489 -8.3489 -8.2161 -8.2161 -7.1194 -7.1194 -7.0863 -7.0863 -5.0064 -5.0064 -4.7056 -4.7056 -0.5867 -0.5867 -0.0325 -0.0325 0.2828 0.2828 0.4771 0.4771 1.0021 1.0021 1.4299 1.4299 1.8503 1.8503 2.2768 2.2768 2.5632 2.5632 2.7021 2.7021 3.1134 3.1134 3.1952 3.1952 3.5333 3.5333 3.6352 3.6352 3.6919 3.6919 3.8961 3.8961 4.0312 4.0312 4.1542 4.1542 4.8922 4.8922 4.9822 4.9822 5.5552 5.5552 5.8060 5.8060 5.8758 5.8758 k = 0.4880 0.1327 0.4220 ( 7794 PWs) bands (ev): -9.0045 -9.0045 -8.8229 -8.8229 -8.3520 -8.3520 -8.2193 -8.2193 -7.1114 -7.1114 -7.0937 -7.0937 -5.0038 -5.0038 -4.7034 -4.7034 -0.5858 -0.5858 -0.0343 -0.0343 0.2780 0.2780 0.4710 0.4710 1.0004 1.0004 1.4283 1.4283 1.8498 1.8498 2.2840 2.2840 2.5643 2.5643 2.7012 2.7012 3.1372 3.1372 3.1811 3.1811 3.5451 3.5451 3.6397 3.6397 3.6898 3.6898 3.9110 3.9110 4.0203 4.0203 4.1544 4.1544 4.8828 4.8828 4.9673 4.9673 5.5554 5.5554 5.8016 5.8016 5.8686 5.8686 k = 0.5000 0.1359-0.4061 ( 7788 PWs) bands (ev): -9.0036 -9.0036 -8.8234 -8.8234 -8.3520 -8.3520 -8.2202 -8.2202 -7.1032 -7.1032 -7.1015 -7.1015 -5.0035 -5.0035 -4.7029 -4.7029 -0.5866 -0.5866 -0.0356 -0.0356 0.2773 0.2773 0.4701 0.4701 1.0002 1.0002 1.4284 1.4284 1.8506 1.8506 2.2884 2.2884 2.5621 2.5621 2.7019 2.7019 3.1481 3.1481 3.1714 3.1714 3.5481 3.5481 3.6403 3.6403 3.6905 3.6905 3.9143 3.9143 4.0166 4.0166 4.1545 4.1545 4.8827 4.8827 4.9647 4.9647 5.5529 5.5529 5.8013 5.8013 5.8672 5.8672 k = 0.5065 0.1121-0.4061 ( 7784 PWs) bands (ev): -9.0027 -9.0027 -8.8227 -8.8227 -8.3514 -8.3514 -8.2195 -8.2195 -7.1027 -7.1027 -7.1011 -7.1011 -5.0051 -5.0051 -4.7042 -4.7042 -0.5857 -0.5857 -0.0353 -0.0353 0.2776 0.2776 0.4706 0.4706 0.9965 0.9965 1.4237 1.4237 1.8507 1.8507 2.2863 2.2863 2.5592 2.5592 2.6962 2.6962 3.1368 3.1368 3.1796 3.1796 3.5427 3.5427 3.6225 3.6225 3.7044 3.7044 3.9090 3.9090 4.0152 4.0152 4.1545 4.1545 4.8865 4.8865 4.9861 4.9861 5.5531 5.5531 5.8011 5.8011 5.8723 5.8723 k = 0.5130 0.0883-0.4061 ( 7790 PWs) bands (ev): -8.9999 -8.9999 -8.8205 -8.8205 -8.3496 -8.3496 -8.2176 -8.2176 -7.1012 -7.1012 -7.1000 -7.1000 -5.0099 -5.0099 -4.7082 -4.7082 -0.5832 -0.5832 -0.0343 -0.0343 0.2784 0.2784 0.4720 0.4720 0.9858 0.9858 1.4098 1.4098 1.8509 1.8509 2.2797 2.2797 2.5505 2.5505 2.6794 2.6794 3.1173 3.1173 3.1900 3.1900 3.5247 3.5247 3.5923 3.5923 3.7242 3.7242 3.8952 3.8952 4.0109 4.0109 4.1545 4.1545 4.9055 4.9055 5.0405 5.0405 5.5537 5.5537 5.8013 5.8013 5.8870 5.8870 k = 0.5194 0.0645-0.4061 ( 7800 PWs) bands (ev): -8.9951 -8.9951 -8.8168 -8.8168 -8.3466 -8.3466 -8.2145 -8.2145 -7.0990 -7.0990 -7.0980 -7.0980 -5.0179 -5.0179 -4.7147 -4.7147 -0.5791 -0.5791 -0.0327 -0.0327 0.2796 0.2796 0.4742 0.4742 0.9685 0.9685 1.3873 1.3873 1.8511 1.8511 2.2677 2.2677 2.5350 2.5350 2.6529 2.6529 3.0967 3.0967 3.1965 3.1965 3.4913 3.4913 3.5649 3.5649 3.7359 3.7359 3.8782 3.8782 4.0043 4.0043 4.1546 4.1546 4.9457 4.9457 5.1153 5.1153 5.5552 5.5552 5.8040 5.8040 5.9098 5.9098 k = 0.5259 0.0406-0.4061 ( 7792 PWs) bands (ev): -8.9886 -8.9886 -8.8117 -8.8117 -8.3424 -8.3424 -8.2101 -8.2101 -7.0963 -7.0963 -7.0946 -7.0946 -5.0291 -5.0291 -4.7238 -4.7238 -0.5733 -0.5733 -0.0305 -0.0305 0.2809 0.2809 0.4772 0.4772 0.9456 0.9456 1.3572 1.3572 1.8512 1.8512 2.2488 2.2488 2.5115 2.5115 2.6200 2.6200 3.0763 3.0763 3.1975 3.1975 3.4470 3.4470 3.5410 3.5410 3.7341 3.7341 3.8619 3.8619 3.9978 3.9978 4.1555 4.1555 5.0057 5.0057 5.2033 5.2033 5.5583 5.5583 5.8105 5.8105 5.9399 5.9399 k = 0.5324 0.0168-0.4061 ( 7788 PWs) bands (ev): -8.9802 -8.9802 -8.8051 -8.8051 -8.3370 -8.3370 -8.2044 -8.2044 -7.0931 -7.0931 -7.0900 -7.0900 -5.0435 -5.0435 -4.7355 -4.7355 -0.5658 -0.5658 -0.0278 -0.0278 0.2821 0.2821 0.4807 0.4807 0.9183 0.9183 1.3207 1.3207 1.8509 1.8509 2.2208 2.2208 2.4784 2.4784 2.5852 2.5852 3.0553 3.0553 3.1918 3.1918 3.4004 3.4004 3.5176 3.5176 3.7177 3.7177 3.8452 3.8452 3.9949 3.9949 4.1576 4.1576 5.0814 5.0814 5.2988 5.2988 5.5650 5.5650 5.8220 5.8220 5.9767 5.9767 k = 0.5389-0.0070-0.4061 ( 7786 PWs) bands (ev): -8.9699 -8.9699 -8.7972 -8.7972 -8.3305 -8.3305 -8.1975 -8.1975 -7.0894 -7.0894 -7.0844 -7.0844 -5.0610 -5.0610 -4.7499 -4.7499 -0.5568 -0.5568 -0.0246 -0.0246 0.2827 0.2827 0.4846 0.4846 0.8879 0.8879 1.2791 1.2791 1.8499 1.8499 2.1815 2.1815 2.4362 2.4362 2.5525 2.5525 3.0317 3.0317 3.1778 3.1778 3.3594 3.3594 3.4932 3.4932 3.6906 3.6906 3.8238 3.8238 3.9973 3.9973 4.1602 4.1602 5.1680 5.1680 5.3951 5.3951 5.5794 5.5794 5.8395 5.8395 6.0200 6.0200 k = 0.5453-0.0308-0.4061 ( 7782 PWs) bands (ev): -8.9579 -8.9579 -8.7880 -8.7880 -8.3227 -8.3227 -8.1894 -8.1894 -7.0850 -7.0850 -7.0777 -7.0777 -5.0817 -5.0817 -4.7669 -4.7669 -0.5462 -0.5462 -0.0211 -0.0211 0.2820 0.2820 0.4886 0.4886 0.8557 0.8557 1.2342 1.2342 1.8472 1.8472 2.1297 2.1297 2.3875 2.3875 2.5227 2.5227 3.0033 3.0033 3.1551 3.1551 3.3292 3.3292 3.4680 3.4680 3.6567 3.6567 3.7965 3.7965 4.0034 4.0034 4.1624 4.1624 5.2605 5.2605 5.4789 5.4789 5.6145 5.6145 5.8636 5.8636 6.0690 6.0690 k = 0.5518-0.0546-0.4061 ( 7780 PWs) bands (ev): -8.9442 -8.9442 -8.7774 -8.7774 -8.3137 -8.3137 -8.1801 -8.1801 -7.0801 -7.0801 -7.0700 -7.0700 -5.1055 -5.1055 -4.7865 -4.7865 -0.5341 -0.5341 -0.0174 -0.0174 0.2794 0.2794 0.4926 0.4926 0.8232 0.8232 1.1874 1.1874 1.8416 1.8416 2.0669 2.0669 2.3345 2.3345 2.4955 2.4955 2.9684 2.9684 3.1261 3.1261 3.3100 3.3100 3.4421 3.4421 3.6187 3.6187 3.7650 3.7650 4.0095 4.0095 4.1636 4.1636 5.3522 5.3522 5.5350 5.5350 5.6877 5.6877 5.8945 5.8945 6.1228 6.1228 k = 0.5583-0.0784-0.4061 ( 7778 PWs) bands (ev): -8.9288 -8.9288 -8.7656 -8.7656 -8.3036 -8.3036 -8.1696 -8.1696 -7.0745 -7.0745 -7.0613 -7.0613 -5.1324 -5.1324 -4.8088 -4.8088 -0.5206 -0.5206 -0.0138 -0.0138 0.2739 0.2739 0.4964 0.4964 0.7913 0.7913 1.1406 1.1406 1.8295 1.8295 1.9984 1.9984 2.2777 2.2777 2.4703 2.4703 2.9280 2.9280 3.0943 3.0943 3.2986 3.2986 3.4158 3.4158 3.5774 3.5774 3.7317 3.7317 4.0126 4.0126 4.1634 4.1634 5.4297 5.4297 5.5851 5.5851 5.7865 5.7865 5.9325 5.9325 6.1802 6.1802 k = 0.5648-0.1023-0.4061 ( 7780 PWs) bands (ev): -8.9118 -8.9118 -8.7526 -8.7526 -8.2922 -8.2922 -8.1580 -8.1580 -7.0685 -7.0685 -7.0515 -7.0515 -5.1623 -5.1623 -4.8337 -4.8337 -0.5056 -0.5056 -0.0104 -0.0104 0.2647 0.2647 0.4999 0.4999 0.7606 0.7606 1.0956 1.0956 1.8026 1.8026 1.9352 1.9352 2.2171 2.2171 2.4465 2.4465 2.8844 2.8844 3.0611 3.0611 3.2919 3.2919 3.3892 3.3892 3.5336 3.5336 3.6990 3.6990 4.0105 4.0105 4.1621 4.1621 5.4779 5.4779 5.6591 5.6591 5.8912 5.8912 5.9786 5.9786 6.2395 6.2395 k = 0.5712-0.1261-0.4061 ( 7780 PWs) bands (ev): -8.8932 -8.8932 -8.7385 -8.7385 -8.2797 -8.2797 -8.1453 -8.1453 -7.0619 -7.0619 -7.0408 -7.0408 -5.1953 -5.1953 -4.8612 -4.8612 -0.4893 -0.4893 -0.0076 -0.0076 0.2513 0.2513 0.5030 0.5030 0.7308 0.7308 1.0548 1.0548 1.7496 1.7496 1.8910 1.8910 2.1533 2.1533 2.4236 2.4236 2.8399 2.8399 3.0268 3.0268 3.2871 3.2871 3.3621 3.3621 3.4879 3.4879 3.6687 3.6687 4.0022 4.0022 4.1597 4.1597 5.5030 5.5030 5.7549 5.7549 5.9846 5.9846 6.0418 6.0418 6.2988 6.2988 k = 0.5777-0.1499-0.4061 ( 7778 PWs) bands (ev): -8.8732 -8.8732 -8.7234 -8.7234 -8.2659 -8.2659 -8.1315 -8.1315 -7.0549 -7.0549 -7.0290 -7.0290 -5.2311 -5.2311 -4.8912 -4.8912 -0.4718 -0.4718 -0.0058 -0.0058 0.2334 0.2334 0.5057 0.5057 0.7011 0.7011 1.0200 1.0200 1.6750 1.6750 1.8625 1.8625 2.0878 2.0878 2.4012 2.4012 2.7960 2.7960 2.9916 2.9916 3.2813 3.2813 3.3346 3.3346 3.4420 3.4420 3.6418 3.6418 3.9875 3.9875 4.1562 4.1562 5.5185 5.5185 5.8592 5.8592 6.0485 6.0485 6.1355 6.1355 6.3570 6.3570 k = 0.5842-0.1737-0.4061 ( 7768 PWs) bands (ev): -8.8518 -8.8518 -8.7073 -8.7073 -8.2509 -8.2509 -8.1167 -8.1167 -7.0475 -7.0475 -7.0162 -7.0162 -5.2698 -5.2698 -4.9239 -4.9239 -0.4532 -0.4532 -0.0056 -0.0056 0.2118 0.2118 0.5075 0.5075 0.6700 0.6700 0.9932 0.9932 1.5922 1.5922 1.8366 1.8366 2.0233 2.0233 2.3792 2.3792 2.7532 2.7532 2.9562 2.9562 3.2675 3.2675 3.3098 3.3098 3.3994 3.3994 3.6184 3.6184 3.9675 3.9675 4.1513 4.1513 5.5304 5.5304 5.9642 5.9642 6.1002 6.1002 6.2393 6.2393 6.4137 6.4137 k = 0.5907-0.1975-0.4061 ( 7778 PWs) bands (ev): -8.8292 -8.8292 -8.6904 -8.6904 -8.2347 -8.2347 -8.1008 -8.1008 -7.0397 -7.0397 -7.0025 -7.0025 -5.3112 -5.3112 -4.9590 -4.9590 -0.4335 -0.4335 -0.0077 -0.0077 0.1876 0.1876 0.5075 0.5075 0.6370 0.6370 0.9751 0.9751 1.5089 1.5089 1.8051 1.8051 1.9635 1.9635 2.3579 2.3579 2.7111 2.7111 2.9218 2.9218 3.2351 3.2351 3.2935 3.2935 3.3650 3.3650 3.5985 3.5985 3.9433 3.9433 4.1446 4.1446 5.5411 5.5411 6.0616 6.0616 6.1527 6.1527 6.3415 6.3415 6.4703 6.4703 k = 0.5971-0.2214-0.4061 ( 7788 PWs) bands (ev): -8.8054 -8.8054 -8.6728 -8.6728 -8.2173 -8.2173 -8.0841 -8.0841 -7.0316 -7.0316 -6.9877 -6.9877 -5.3552 -5.3552 -4.9965 -4.9965 -0.4129 -0.4129 -0.0132 -0.0132 0.1624 0.1624 0.5032 0.5032 0.6033 0.6033 0.9654 0.9654 1.4292 1.4292 1.7639 1.7639 1.9115 1.9115 2.3377 2.3377 2.6689 2.6689 2.8896 2.8896 3.1877 3.1877 3.2781 3.2781 3.3431 3.3431 3.5814 3.5814 3.9162 3.9162 4.1357 4.1357 5.5515 5.5515 6.1334 6.1334 6.2228 6.2228 6.4385 6.4385 6.5286 6.5286 k = 0.6036-0.2452-0.4061 ( 7786 PWs) bands (ev): -8.7806 -8.7806 -8.6546 -8.6546 -8.1986 -8.1986 -8.0664 -8.0664 -7.0232 -7.0232 -6.9719 -6.9719 -5.4017 -5.4017 -5.0364 -5.0364 -0.3916 -0.3916 -0.0234 -0.0234 0.1381 0.1381 0.4902 0.4902 0.5727 0.5727 0.9625 0.9625 1.3561 1.3561 1.7131 1.7131 1.8676 1.8676 2.3190 2.3190 2.6261 2.6261 2.8603 2.8603 3.1330 3.1330 3.2570 3.2570 3.3334 3.3334 3.5667 3.5667 3.8878 3.8878 4.1246 4.1246 5.5621 5.5621 6.1751 6.1751 6.3134 6.3134 6.5271 6.5271 6.5902 6.5902 k = 0.6101-0.2690-0.4061 ( 7780 PWs) bands (ev): -8.7549 -8.7549 -8.6359 -8.6359 -8.1786 -8.1786 -8.0479 -8.0479 -7.0145 -7.0145 -6.9551 -6.9551 -5.4505 -5.4505 -5.0786 -5.0786 -0.3697 -0.3697 -0.0392 -0.0392 0.1163 0.1163 0.4631 0.4631 0.5500 0.5500 0.9640 0.9640 1.2927 1.2927 1.6570 1.6570 1.8291 1.8291 2.3016 2.3016 2.5828 2.5828 2.8339 2.8339 3.0753 3.0753 3.2320 3.2320 3.3308 3.3308 3.5538 3.5538 3.8589 3.8589 4.1111 4.1111 5.5731 5.5731 6.2024 6.2024 6.4078 6.4078 6.6039 6.6039 6.6563 6.6563 k = 0.6166-0.2928-0.4061 ( 7786 PWs) bands (ev): -8.7286 -8.7286 -8.6168 -8.6168 -8.1573 -8.1573 -8.0286 -8.0286 -7.0057 -7.0057 -6.9373 -6.9373 -5.5015 -5.5015 -5.1228 -5.1228 -0.3475 -0.3475 -0.0611 -0.0611 0.0974 0.0974 0.4235 0.4235 0.5335 0.5335 0.9672 0.9672 1.2416 1.2416 1.6000 1.6000 1.7929 1.7929 2.2852 2.2852 2.5397 2.5397 2.8098 2.8098 3.0175 3.0175 3.2053 3.2053 3.3313 3.3313 3.5422 3.5422 3.8306 3.8306 4.0953 4.0953 5.5847 5.5847 6.2223 6.2223 6.4984 6.4984 6.6691 6.6691 6.7246 6.7246 k = 0.6230-0.3166-0.4061 ( 7788 PWs) bands (ev): -8.7017 -8.7017 -8.5975 -8.5975 -8.1348 -8.1348 -8.0086 -8.0086 -6.9968 -6.9968 -6.9185 -6.9185 -5.5544 -5.5544 -5.1691 -5.1691 -0.3253 -0.3253 -0.0882 -0.0882 0.0809 0.0809 0.3765 0.3765 0.5180 0.5180 0.9695 0.9695 1.2054 1.2054 1.5455 1.5455 1.7580 1.7580 2.2687 2.2687 2.4979 2.4979 2.7868 2.7868 2.9619 2.9619 3.1783 3.1783 3.3330 3.3330 3.5316 3.5316 3.8036 3.8036 4.0775 4.0775 5.5970 5.5970 6.2374 6.2374 6.5816 6.5816 6.7261 6.7261 6.7890 6.7890 k = 0.6295-0.3405-0.4061 ( 7780 PWs) bands (ev): -8.6745 -8.6745 -8.5782 -8.5782 -8.1108 -8.1108 -7.9880 -7.9880 -6.9877 -6.9877 -6.8986 -6.8986 -5.6089 -5.6089 -5.2171 -5.2171 -0.3033 -0.3033 -0.1191 -0.1191 0.0651 0.0651 0.3253 0.3253 0.5008 0.5008 0.9686 0.9686 1.1849 1.1849 1.4957 1.4957 1.7246 1.7246 2.2509 2.2509 2.4588 2.4588 2.7633 2.7633 2.9104 2.9104 3.1517 3.1517 3.3352 3.3352 3.5217 3.5217 3.7782 3.7782 4.0579 4.0579 5.6101 5.6101 6.2488 6.2488 6.6545 6.6545 6.7777 6.7777 6.8447 6.8447 k = 0.6360-0.3643-0.4061 ( 7784 PWs) bands (ev): -8.6471 -8.6471 -8.5589 -8.5589 -8.0855 -8.0855 -7.9669 -7.9669 -6.9786 -6.9786 -6.8778 -6.8778 -5.6650 -5.6650 -5.2668 -5.2668 -0.2819 -0.2819 -0.1524 -0.1524 0.0484 0.0484 0.2714 0.2714 0.4818 0.4818 0.9641 0.9641 1.1785 1.1785 1.4522 1.4522 1.6935 1.6935 2.2308 2.2308 2.4231 2.4231 2.7382 2.7382 2.8650 2.8650 3.1263 3.1263 3.3372 3.3372 3.5121 3.5121 3.7547 3.7547 4.0367 4.0367 5.6240 5.6240 6.2575 6.2575 6.7136 6.7136 6.8255 6.8255 6.8878 6.8878 k = 0.6425-0.3881-0.4061 ( 7778 PWs) bands (ev): -8.6198 -8.6198 -8.5399 -8.5399 -8.0589 -8.0589 -7.9455 -7.9455 -6.9695 -6.9695 -6.8559 -6.8559 -5.7223 -5.7223 -5.3180 -5.3180 -0.2620 -0.2620 -0.1868 -0.1868 0.0293 0.0293 0.2162 0.2162 0.4621 0.4621 0.9572 0.9572 1.1820 1.1820 1.4164 1.4164 1.6660 1.6660 2.2079 2.2079 2.3910 2.3910 2.7110 2.7110 2.8267 2.8267 3.1027 3.1027 3.3388 3.3388 3.5028 3.5028 3.7334 3.7334 4.0143 4.0143 5.6387 5.6387 6.2640 6.2640 6.7561 6.7561 6.8704 6.8704 6.9159 6.9159 k = 0.6489-0.4119-0.4061 ( 7790 PWs) bands (ev): -8.5927 -8.5927 -8.5214 -8.5214 -8.0310 -8.0310 -7.9237 -7.9237 -6.9603 -6.9603 -6.8330 -6.8330 -5.7805 -5.7805 -5.3705 -5.3705 -0.2469 -0.2469 -0.2188 -0.2188 0.0063 0.0063 0.1611 0.1611 0.4430 0.4430 0.9487 0.9487 1.1905 1.1905 1.3896 1.3896 1.6434 1.6434 2.1829 2.1829 2.3614 2.3614 2.6827 2.6827 2.7952 2.7952 3.0815 3.0815 3.3397 3.3397 3.4935 3.4935 3.7141 3.7141 3.9912 3.9912 5.6542 5.6542 6.2686 6.2686 6.7814 6.7814 6.9089 6.9089 6.9343 6.9343 k = 0.6554-0.4357-0.4061 ( 7786 PWs) bands (ev): -8.5661 -8.5661 -8.5034 -8.5034 -8.0018 -8.0018 -7.9018 -7.9018 -6.9511 -6.9511 -6.8092 -6.8092 -5.8393 -5.8393 -5.4239 -5.4239 -0.2643 -0.2643 -0.2206 -0.2206 -0.0219 -0.0219 0.1081 0.1081 0.4260 0.4260 0.9391 0.9391 1.1998 1.1998 1.3730 1.3730 1.6269 1.6269 2.1573 2.1573 2.3330 2.3330 2.6552 2.6552 2.7696 2.7696 3.0628 3.0628 3.3395 3.3395 3.4842 3.4842 3.6969 3.6969 3.9678 3.9678 5.6707 5.6707 6.2717 6.2717 6.7914 6.7914 6.9248 6.9248 6.9598 6.9598 k = 0.6619-0.4596-0.4061 ( 7772 PWs) bands (ev): -8.5402 -8.5402 -8.4862 -8.4862 -7.9714 -7.9714 -7.8799 -7.8799 -6.9419 -6.9419 -6.7845 -6.7845 -5.8983 -5.8983 -5.4782 -5.4782 -0.2990 -0.2990 -0.2082 -0.2082 -0.0564 -0.0564 0.0595 0.0595 0.4121 0.4121 0.9280 0.9280 1.2073 1.2073 1.3668 1.3668 1.6174 1.6174 2.1328 2.1328 2.3047 2.3047 2.6300 2.6300 2.7488 2.7488 3.0467 3.0467 3.3381 3.3381 3.4749 3.4749 3.6814 3.6814 3.9446 3.9446 5.6879 5.6879 6.2734 6.2734 6.7887 6.7887 6.9212 6.9212 6.9888 6.9888 k = 0.6684-0.4834-0.4061 ( 7768 PWs) bands (ev): -8.5150 -8.5150 -8.4700 -8.4700 -7.9400 -7.9400 -7.8581 -7.8581 -6.9327 -6.9327 -6.7589 -6.7589 -5.9572 -5.9572 -5.5330 -5.5330 -0.3347 -0.3347 -0.1997 -0.1997 -0.0957 -0.0957 0.0161 0.0161 0.4019 0.4019 0.9149 0.9149 1.2125 1.2125 1.3698 1.3698 1.6155 1.6155 2.1108 2.1108 2.2763 2.2763 2.6070 2.6070 2.7328 2.7328 3.0330 3.0330 3.3352 3.3352 3.4656 3.4656 3.6675 3.6675 3.9220 3.9220 5.7061 5.7061 6.2739 6.2739 6.7753 6.7753 6.9076 6.9076 7.0117 7.0117 k = 0.6748-0.5072-0.4061 ( 7762 PWs) bands (ev): -8.4909 -8.4909 -8.4548 -8.4548 -7.9078 -7.9078 -7.8367 -7.8367 -6.9232 -6.9232 -6.7328 -6.7328 -6.0153 -6.0153 -5.5882 -5.5882 -0.3701 -0.3701 -0.2025 -0.2025 -0.1320 -0.1320 -0.0229 -0.0229 0.3958 0.3958 0.8998 0.8998 1.2170 1.2170 1.3788 1.3788 1.6212 1.6212 2.0923 2.0923 2.2489 2.2489 2.5858 2.5858 2.7218 2.7218 3.0213 3.0213 3.3307 3.3307 3.4567 3.4567 3.6547 3.6547 3.9008 3.9008 5.7250 5.7250 6.2734 6.2734 6.7533 6.7533 6.8860 6.8860 7.0268 7.0268 k = 0.6813-0.5310-0.4061 ( 7764 PWs) bands (ev): -8.4680 -8.4680 -8.4410 -8.4410 -7.8751 -7.8751 -7.8158 -7.8158 -6.9136 -6.9136 -6.7063 -6.7063 -6.0722 -6.0722 -5.6433 -5.6433 -0.4047 -0.4047 -0.2294 -0.2294 -0.1500 -0.1500 -0.0593 -0.0593 0.3937 0.3937 0.8828 0.8828 1.2226 1.2226 1.3907 1.3907 1.6341 1.6341 2.0778 2.0778 2.2240 2.2240 2.5656 2.5656 2.7158 2.7158 3.0111 3.0111 3.3245 3.3245 3.4481 3.4481 3.6427 3.6427 3.8814 3.8814 5.7447 5.7447 6.2719 6.2719 6.7240 6.7240 6.8573 6.8573 7.0341 7.0341 k = 0.6878-0.5548-0.4061 ( 7770 PWs) bands (ev): -8.4463 -8.4463 -8.4285 -8.4285 -7.8421 -7.8421 -7.7956 -7.7956 -6.9034 -6.9034 -6.6801 -6.6801 -6.1269 -6.1269 -5.6982 -5.6982 -0.4382 -0.4382 -0.2736 -0.2736 -0.1547 -0.1547 -0.0946 -0.0946 0.3957 0.3957 0.8642 0.8642 1.2307 1.2307 1.4035 1.4035 1.6529 1.6529 2.0671 2.0671 2.2038 2.2038 2.5464 2.5464 2.7142 2.7142 3.0019 3.0019 3.3166 3.3166 3.4402 3.4402 3.6311 3.6311 3.8643 3.8643 5.7652 5.7652 6.2695 6.2695 6.6890 6.6890 6.8226 6.8226 7.0340 7.0340 k = 0.6943-0.5787-0.4061 ( 7774 PWs) bands (ev): -8.4261 -8.4261 -8.4176 -8.4176 -7.8093 -7.8093 -7.7762 -7.7762 -6.8926 -6.8926 -6.6550 -6.6550 -6.1782 -6.1782 -5.7526 -5.7526 -0.4702 -0.4702 -0.3219 -0.3219 -0.1581 -0.1581 -0.1290 -0.1290 0.4014 0.4014 0.8446 0.8446 1.2416 1.2416 1.4161 1.4161 1.6762 1.6762 2.0598 2.0598 2.1907 2.1907 2.5286 2.5286 2.7163 2.7163 2.9932 2.9932 3.3072 3.3072 3.4330 3.4330 3.6194 3.6194 3.8501 3.8501 5.7863 5.7863 6.2662 6.2662 6.6494 6.6494 6.7829 6.7829 7.0268 7.0268 k = 0.7007-0.6025-0.4061 ( 7770 PWs) bands (ev): -8.4096 -8.4096 -8.4062 -8.4062 -7.7772 -7.7772 -7.7580 -7.7580 -6.8809 -6.8809 -6.6326 -6.6326 -6.2242 -6.2242 -5.8062 -5.8062 -0.5005 -0.5005 -0.3699 -0.3699 -0.1708 -0.1708 -0.1558 -0.1558 0.4103 0.4103 0.8245 0.8245 1.2553 1.2553 1.4283 1.4283 1.7023 1.7023 2.0553 2.0553 2.1863 2.1863 2.5127 2.5127 2.7210 2.7210 2.9846 2.9846 3.2966 3.2966 3.4268 3.4268 3.6075 3.6075 3.8389 3.8389 5.8079 5.8079 6.2620 6.2620 6.6064 6.6064 6.7391 6.7391 7.0132 7.0132 k = 0.7072-0.6263-0.4061 ( 7772 PWs) bands (ev): -8.4018 -8.4018 -8.3895 -8.3895 -7.7465 -7.7465 -7.7410 -7.7410 -6.8678 -6.8678 -6.6153 -6.6153 -6.2623 -6.2623 -5.8588 -5.8588 -0.5285 -0.5285 -0.4159 -0.4159 -0.2032 -0.2032 -0.1652 -0.1652 0.4220 0.4220 0.8044 0.8044 1.2711 1.2711 1.4404 1.4404 1.7295 1.7295 2.0540 2.0540 2.1914 2.1914 2.4996 2.4996 2.7274 2.7274 2.9759 2.9759 3.2852 3.2852 3.4216 3.4216 3.5953 3.5953 3.8308 3.8308 5.8300 5.8300 6.2570 6.2570 6.5610 6.5610 6.6924 6.6924 6.9932 6.9932 k = 0.7137-0.6501-0.4061 ( 7774 PWs) bands (ev): -8.3967 -8.3967 -8.3738 -8.3738 -7.7258 -7.7258 -7.7175 -7.7175 -6.8532 -6.8532 -6.6068 -6.6068 -6.2884 -6.2884 -5.9099 -5.9099 -0.5541 -0.5541 -0.4591 -0.4591 -0.2383 -0.2383 -0.1739 -0.1739 0.4359 0.4359 0.7845 0.7845 1.2881 1.2881 1.4531 1.4531 1.7564 1.7564 2.0571 2.0571 2.2055 2.2055 2.4899 2.4899 2.7347 2.7347 2.9667 2.9667 3.2736 3.2736 3.4175 3.4175 3.5828 3.5828 3.8257 3.8257 5.8522 5.8522 6.2510 6.2510 6.5141 6.5141 6.6438 6.6438 6.9670 6.9670 k = 0.7202-0.6739-0.4061 ( 7782 PWs) bands (ev): -8.3938 -8.3938 -8.3597 -8.3597 -7.7119 -7.7119 -7.6912 -7.6912 -6.8364 -6.8364 -6.6106 -6.6106 -6.2989 -6.2989 -5.9595 -5.9595 -0.5769 -0.5769 -0.4991 -0.4991 -0.2737 -0.2737 -0.1841 -0.1841 0.4515 0.4515 0.7652 0.7652 1.3052 1.3052 1.4674 1.4674 1.7818 1.7818 2.0659 2.0659 2.2271 2.2271 2.4840 2.4840 2.7424 2.7424 2.9569 2.9569 3.2624 3.2624 3.4145 3.4145 3.5704 3.5704 3.8231 3.8231 5.8744 5.8744 6.2438 6.2438 6.4667 6.4667 6.5943 6.5943 6.9344 6.9344 k = 0.2798-1.0293 0.0000 ( 7782 PWs) bands (ev): -8.3938 -8.3938 -8.3597 -8.3597 -7.7119 -7.7119 -7.6912 -7.6912 -6.8364 -6.8364 -6.6106 -6.6106 -6.2989 -6.2989 -5.9595 -5.9595 -0.5769 -0.5769 -0.4991 -0.4991 -0.2737 -0.2737 -0.1841 -0.1841 0.4515 0.4515 0.7652 0.7652 1.3052 1.3052 1.4674 1.4674 1.7818 1.7818 2.0659 2.0659 2.2271 2.2271 2.4840 2.4840 2.7424 2.7424 2.9569 2.9569 3.2624 3.2624 3.4145 3.4145 3.5704 3.5704 3.8231 3.8231 5.8744 5.8744 6.2438 6.2438 6.4667 6.4667 6.5943 6.5943 6.9344 6.9344 k = 0.2733-1.0054 0.0000 ( 7778 PWs) bands (ev): -8.3931 -8.3931 -8.3472 -8.3472 -7.6999 -7.6999 -7.6681 -7.6681 -6.8171 -6.8171 -6.6273 -6.6273 -6.2929 -6.2929 -6.0073 -6.0073 -0.5969 -0.5969 -0.5357 -0.5357 -0.3090 -0.3090 -0.1954 -0.1954 0.4683 0.4683 0.7462 0.7462 1.3212 1.3212 1.4846 1.4846 1.8058 1.8058 2.0812 2.0812 2.2549 2.2549 2.4825 2.4825 2.7500 2.7500 2.9463 2.9463 3.2520 3.2520 3.4128 3.4128 3.5583 3.5583 3.8228 3.8228 5.8963 5.8963 6.2353 6.2353 6.4194 6.4194 6.5448 6.5448 6.8957 6.8957 k = 0.2668-0.9814 0.0000 ( 7766 PWs) bands (ev): -8.3949 -8.3949 -8.3364 -8.3364 -7.6898 -7.6898 -7.6490 -7.6490 -6.7950 -6.7950 -6.6542 -6.6542 -6.2730 -6.2730 -6.0529 -6.0529 -0.6137 -0.6137 -0.5685 -0.5685 -0.3436 -0.3436 -0.2074 -0.2074 0.4858 0.4858 0.7277 0.7277 1.3347 1.3347 1.5055 1.5055 1.8286 1.8286 2.1025 2.1025 2.2873 2.2873 2.4857 2.4857 2.7571 2.7571 2.9350 2.9350 3.2431 3.2431 3.4123 3.4123 3.5469 3.5469 3.8242 3.8242 5.9172 5.9172 6.2250 6.2250 6.3735 6.3735 6.4967 6.4967 6.8521 6.8521 k = 0.2603-0.9575 0.0000 ( 7776 PWs) bands (ev): -8.3992 -8.3992 -8.3273 -8.3273 -7.6817 -7.6817 -7.6342 -7.6342 -6.7699 -6.7699 -6.6870 -6.6870 -6.2432 -6.2432 -6.0959 -6.0959 -0.6279 -0.6279 -0.5968 -0.5968 -0.3773 -0.3773 -0.2194 -0.2194 0.5037 0.5037 0.7095 0.7095 1.3453 1.3453 1.5306 1.5306 1.8513 1.8513 2.1287 2.1287 2.3230 2.3230 2.4938 2.4938 2.7635 2.7635 2.9231 2.9231 3.2362 3.2362 3.4132 3.4132 3.5366 3.5366 3.8269 3.8269 5.9362 5.9362 6.2121 6.2121 6.3302 6.3302 6.4514 6.4514 6.8044 6.8044 k = 0.2538-0.9336 0.0000 ( 7780 PWs) bands (ev): -8.4061 -8.4061 -8.3200 -8.3200 -7.6758 -7.6758 -7.6242 -7.6242 -6.7419 -6.7419 -6.7227 -6.7227 -6.2067 -6.2067 -6.1359 -6.1359 -0.6410 -0.6410 -0.6187 -0.6187 -0.4095 -0.4095 -0.2309 -0.2309 0.5216 0.5216 0.6915 0.6915 1.3530 1.3530 1.5599 1.5599 1.8751 1.8751 2.1584 2.1584 2.3606 2.3606 2.5069 2.5069 2.7692 2.7692 2.9110 2.9110 3.2318 3.2318 3.4155 3.4155 3.5276 3.5276 3.8305 3.8305 5.9524 5.9524 6.1957 6.1957 6.2908 6.2908 6.4102 6.4102 6.7534 6.7534 k = 0.2473-0.9096 0.0000 ( 7790 PWs) bands (ev): -8.4155 -8.4155 -8.3144 -8.3144 -7.6719 -7.6719 -7.6192 -7.6192 -6.7591 -6.7591 -6.7114 -6.7114 -6.1725 -6.1725 -6.1655 -6.1655 -0.6566 -0.6566 -0.6308 -0.6308 -0.4399 -0.4399 -0.2412 -0.2412 0.5392 0.5392 0.6734 0.6734 1.3583 1.3583 1.5928 1.5928 1.9007 1.9007 2.1902 2.1902 2.3986 2.3986 2.5249 2.5249 2.7744 2.7744 2.8993 2.8993 3.2301 3.2301 3.4191 3.4191 3.5202 3.5202 3.8347 3.8347 5.9642 5.9642 6.1742 6.1742 6.2577 6.2577 6.3746 6.3746 6.6999 6.6999 k = 0.2408-0.8857 0.0000 ( 7794 PWs) bands (ev): -8.4275 -8.4275 -8.3106 -8.3106 -7.6701 -7.6701 -7.6189 -7.6189 -6.7950 -6.7950 -6.6793 -6.6793 -6.2047 -6.2047 -6.1212 -6.1212 -0.6734 -0.6734 -0.6344 -0.6344 -0.4679 -0.4679 -0.2498 -0.2498 0.5561 0.5561 0.6551 0.6551 1.3620 1.3620 1.6286 1.6286 1.9286 1.9286 2.2231 2.2231 2.4357 2.4357 2.5477 2.5477 2.7792 2.7792 2.8889 2.8889 3.2314 3.2314 3.4242 3.4242 3.5144 3.5144 3.8391 3.8391 5.9701 5.9701 6.1464 6.1464 6.2328 6.2328 6.3451 6.3451 6.6445 6.6445 k = 0.2343-0.8618 0.0000 ( 7796 PWs) bands (ev): -8.4421 -8.4421 -8.3086 -8.3086 -7.6704 -7.6704 -7.6233 -7.6233 -6.8297 -6.8297 -6.6469 -6.6469 -6.2316 -6.2316 -6.0744 -6.0744 -0.6885 -0.6885 -0.6329 -0.6329 -0.4928 -0.4928 -0.2563 -0.2563 0.5719 0.5719 0.6370 0.6370 1.3647 1.3647 1.6667 1.6667 1.9588 1.9588 2.2561 2.2561 2.4698 2.4698 2.5748 2.5748 2.7836 2.7836 2.8818 2.8818 3.2358 3.2358 3.4307 3.4307 3.5105 3.5105 3.8434 3.8434 5.9690 5.9690 6.1132 6.1132 6.2163 6.2163 6.3215 6.3215 6.5882 6.5882 k = 0.2278-0.8378 0.0000 ( 7792 PWs) bands (ev): -8.4592 -8.4592 -8.3084 -8.3084 -7.6725 -7.6725 -7.6319 -7.6319 -6.8627 -6.8627 -6.6165 -6.6165 -6.2511 -6.2511 -6.0258 -6.0258 -0.7010 -0.7010 -0.6279 -0.6279 -0.5135 -0.5135 -0.2599 -0.2599 0.5843 0.5843 0.6209 0.6209 1.3671 1.3671 1.7066 1.7066 1.9911 1.9911 2.2888 2.2888 2.4995 2.4995 2.6053 2.6053 2.7871 2.7871 2.8805 2.8805 3.2433 3.2433 3.4386 3.4386 3.5083 3.5083 3.8475 3.8475 5.9613 5.9613 6.0770 6.0770 6.2057 6.2057 6.3027 6.3027 6.5319 6.5319 k = 0.2213-0.8139 0.0000 ( 7794 PWs) bands (ev): -8.4788 -8.4788 -8.3100 -8.3100 -7.6763 -7.6763 -7.6442 -7.6442 -6.8940 -6.8940 -6.5912 -6.5912 -6.2610 -6.2610 -5.9759 -5.9759 -0.7106 -0.7106 -0.6214 -0.6214 -0.5280 -0.5280 -0.2605 -0.2605 0.5830 0.5830 0.6169 0.6169 1.3695 1.3695 1.7478 1.7478 2.0252 2.0252 2.3204 2.3204 2.5234 2.5234 2.6377 2.6377 2.7893 2.7893 2.8882 2.8882 3.2540 3.2540 3.4477 3.4477 3.5081 3.5081 3.8510 3.8510 5.9482 5.9482 6.0398 6.0398 6.1967 6.1967 6.2873 6.2873 6.4772 6.4772 k = 0.2148-0.7899 0.0000 ( 7794 PWs) bands (ev): -8.5005 -8.5005 -8.3134 -8.3134 -7.6817 -7.6817 -7.6596 -7.6596 -6.9234 -6.9234 -6.5741 -6.5741 -6.2583 -6.2583 -5.9251 -5.9251 -0.7174 -0.7174 -0.6164 -0.6164 -0.5329 -0.5329 -0.2575 -0.2575 0.5659 0.5659 0.6271 0.6271 1.3721 1.3721 1.7900 1.7900 2.0604 2.0604 2.3504 2.3504 2.5407 2.5407 2.6700 2.6700 2.7912 2.7912 2.9067 2.9067 3.2678 3.2678 3.4578 3.4578 3.5099 3.5099 3.8540 3.8540 5.9316 5.9316 6.0031 6.0031 6.1847 6.1847 6.2737 6.2737 6.4261 6.4261 k = 0.2082-0.7660 0.0000 ( 7786 PWs) bands (ev): -8.5245 -8.5245 -8.3186 -8.3186 -7.6885 -7.6885 -7.6776 -7.6776 -6.9511 -6.9511 -6.5673 -6.5673 -6.2417 -6.2417 -5.8738 -5.8738 -0.7213 -0.7213 -0.6158 -0.6158 -0.5254 -0.5254 -0.2509 -0.2509 0.5443 0.5443 0.6404 0.6404 1.3752 1.3752 1.8329 1.8329 2.0963 2.0963 2.3781 2.3781 2.5516 2.5516 2.6993 2.6993 2.7963 2.7963 2.9357 2.9357 3.2846 3.2846 3.4684 3.4684 3.5140 3.5140 3.8562 3.8562 5.9126 5.9126 5.9683 5.9683 6.1655 6.1655 6.2600 6.2600 6.3815 6.3815 k = 0.2017-0.7421 0.0000 ( 7788 PWs) bands (ev): -8.5503 -8.5503 -8.3257 -8.3257 -7.6983 -7.6983 -7.6960 -7.6960 -6.9771 -6.9771 -6.5701 -6.5701 -6.2124 -6.2124 -5.8222 -5.8222 -0.7222 -0.7222 -0.6183 -0.6183 -0.5063 -0.5063 -0.2404 -0.2404 0.5209 0.5209 0.6540 0.6540 1.3787 1.3787 1.8760 1.8760 2.1321 2.1321 2.4028 2.4028 2.5568 2.5568 2.7225 2.7225 2.8089 2.8089 2.9735 2.9735 3.3042 3.3042 3.4789 3.4789 3.5209 3.5209 3.8575 3.8575 5.8907 5.8907 5.9368 5.9368 6.1374 6.1374 6.2435 6.2435 6.3464 6.3464 k = 0.1952-0.7181 0.0000 ( 7788 PWs) bands (ev): -8.5778 -8.5778 -8.3345 -8.3345 -7.7195 -7.7195 -7.7054 -7.7054 -7.0016 -7.0016 -6.5803 -6.5803 -6.1734 -6.1734 -5.7707 -5.7707 -0.7202 -0.7202 -0.6209 -0.6209 -0.4785 -0.4785 -0.2261 -0.2261 0.4964 0.4964 0.6677 0.6677 1.3824 1.3824 1.9190 1.9190 2.1673 2.1673 2.4241 2.4241 2.5575 2.5575 2.7390 2.7390 2.8306 2.8306 3.0182 3.0182 3.3264 3.3264 3.4885 3.4885 3.5313 3.5313 3.8579 3.8579 5.8648 5.8648 5.9092 5.9092 6.1023 6.1023 6.2227 6.2227 6.3224 6.3224 k = 0.1887-0.6942 0.0000 ( 7794 PWs) bands (ev): -8.6069 -8.6069 -8.3450 -8.3450 -7.7421 -7.7421 -7.7152 -7.7152 -7.0246 -7.0246 -6.5951 -6.5951 -6.1278 -6.1278 -5.7196 -5.7196 -0.7151 -0.7151 -0.6212 -0.6212 -0.4441 -0.4441 -0.2080 -0.2080 0.4709 0.4709 0.6813 0.6813 1.3864 1.3864 1.9615 1.9615 2.2012 2.2012 2.4414 2.4414 2.5557 2.5557 2.7520 2.7520 2.8584 2.8584 3.0681 3.0681 3.3508 3.3508 3.4968 3.4968 3.5456 3.5456 3.8575 3.8575 5.8351 5.8351 5.8833 5.8833 6.0653 6.0653 6.1984 6.1984 6.3078 6.3078 k = 0.1822-0.6703 0.0000 ( 7786 PWs) bands (ev): -8.6371 -8.6371 -8.3573 -8.3573 -7.7654 -7.7654 -7.7256 -7.7256 -7.0465 -7.0465 -6.6127 -6.6127 -6.0779 -6.0779 -5.6692 -5.6692 -0.7066 -0.7066 -0.6181 -0.6181 -0.4042 -0.4042 -0.1864 -0.1864 0.4449 0.4449 0.6951 0.6951 1.3903 1.3903 2.0025 2.0025 2.2329 2.2329 2.4546 2.4546 2.5538 2.5538 2.7643 2.7643 2.8887 2.8887 3.1219 3.1219 3.3764 3.3764 3.5046 3.5046 3.5632 3.5632 3.8562 3.8562 5.8029 5.8029 5.8537 5.8537 6.0330 6.0330 6.1733 6.1733 6.2995 6.2995 k = 0.1757-0.6463 0.0000 ( 7790 PWs) bands (ev): -8.6684 -8.6684 -8.3711 -8.3711 -7.7889 -7.7889 -7.7366 -7.7366 -7.0673 -7.0673 -6.6318 -6.6318 -6.0256 -6.0256 -5.6196 -5.6196 -0.6947 -0.6947 -0.6108 -0.6108 -0.3595 -0.3595 -0.1618 -0.1618 0.4183 0.4183 0.7093 0.7093 1.3941 1.3941 2.0413 2.0413 2.2618 2.2618 2.4633 2.4633 2.5550 2.5550 2.7771 2.7771 2.9194 2.9194 3.1785 3.1785 3.4018 3.4018 3.5129 3.5129 3.5840 3.5840 3.8541 3.8541 5.7693 5.7693 5.8162 5.8162 6.0110 6.0110 6.1499 6.1499 6.2951 6.2951 k = 0.1692-0.6224 0.0000 ( 7785 PWs) bands (ev): -8.7004 -8.7004 -8.3864 -8.3864 -7.8123 -7.8123 -7.7479 -7.7479 -7.0872 -7.0872 -6.6517 -6.6517 -5.9719 -5.9719 -5.5712 -5.5712 -0.6792 -0.6792 -0.5990 -0.5990 -0.3104 -0.3104 -0.1344 -0.1344 0.3916 0.3916 0.7242 0.7242 1.3974 1.3974 2.0766 2.0766 2.2869 2.2869 2.4679 2.4679 2.5626 2.5626 2.7898 2.7898 2.9492 2.9492 3.2368 3.2368 3.4242 3.4242 3.5237 3.5237 3.6078 3.6078 3.8517 3.8517 5.7348 5.7348 5.7706 5.7706 6.0001 6.0001 6.1301 6.1301 6.2933 6.2933 k = 0.1627-0.5984 0.0000 ( 7791 PWs) bands (ev): -8.7329 -8.7329 -8.4032 -8.4032 -7.8354 -7.8354 -7.7594 -7.7594 -7.1062 -7.1062 -6.6719 -6.6719 -5.9178 -5.9178 -5.5241 -5.5241 -0.6597 -0.6597 -0.5823 -0.5823 -0.2572 -0.2572 -0.1049 -0.1049 0.3649 0.3649 0.7403 0.7403 1.4003 1.4003 2.1067 2.1067 2.3072 2.3072 2.4706 2.4706 2.5781 2.5781 2.8017 2.8017 2.9777 2.9777 3.2960 3.2960 3.4406 3.4406 3.5384 3.5384 3.6348 3.6348 3.8491 3.8491 5.6988 5.6988 5.7207 5.7207 5.9979 5.9979 6.1152 6.1152 6.2935 6.2935 k = 0.1562-0.5745 0.0000 ( 7781 PWs) bands (ev): -8.7656 -8.7656 -8.4211 -8.4211 -7.8579 -7.8579 -7.7711 -7.7711 -7.1245 -7.1245 -6.6921 -6.6921 -5.8639 -5.8639 -5.4786 -5.4786 -0.6362 -0.6362 -0.5606 -0.5606 -0.2002 -0.2002 -0.0739 -0.0739 0.3386 0.3386 0.7580 0.7580 1.4024 1.4024 2.1305 2.1305 2.3208 2.3208 2.4757 2.4757 2.6009 2.6009 2.8120 2.8120 3.0048 3.0048 3.3550 3.3550 3.4493 3.4493 3.5569 3.5569 3.6654 3.6654 3.8469 3.8469 5.6566 5.6566 5.6751 5.6751 6.0008 6.0008 6.1064 6.1064 6.2953 6.2953 k = 0.1497-0.5506 0.0000 ( 7777 PWs) bands (ev): -8.7985 -8.7985 -8.4402 -8.4402 -7.8797 -7.8797 -7.7828 -7.7828 -7.1422 -7.1422 -6.7121 -6.7121 -5.8106 -5.8106 -5.4348 -5.4348 -0.6083 -0.6083 -0.5338 -0.5338 -0.1400 -0.1400 -0.0422 -0.0422 0.3129 0.3129 0.7777 0.7777 1.4039 1.4039 2.1471 2.1471 2.3263 2.3263 2.4877 2.4877 2.6295 2.6295 2.8203 2.8203 3.0305 3.0305 3.4121 3.4121 3.4515 3.4515 3.5766 3.5766 3.6995 3.6995 3.8460 3.8460 5.6057 5.6057 5.6398 5.6398 6.0058 6.0058 6.1044 6.1044 6.2985 6.2985 k = 0.1432-0.5266 0.0000 ( 7779 PWs) bands (ev): -8.8311 -8.8311 -8.4602 -8.4602 -7.9007 -7.9007 -7.7945 -7.7945 -7.1592 -7.1592 -6.7317 -6.7317 -5.7585 -5.7585 -5.3929 -5.3929 -0.5760 -0.5760 -0.5018 -0.5018 -0.0771 -0.0771 -0.0104 -0.0104 0.2884 0.2884 0.8000 0.8000 1.4046 1.4046 2.1567 2.1567 2.3233 2.3233 2.5082 2.5082 2.6621 2.6621 2.8263 2.8263 3.0550 3.0550 3.4460 3.4460 3.4678 3.4678 3.5953 3.5953 3.7361 3.7361 3.8473 3.8473 5.5545 5.5545 5.6094 5.6094 6.0107 6.0107 6.1096 6.1096 6.3030 6.3030 k = 0.1367-0.5027 0.0000 ( 7779 PWs) bands (ev): -8.8634 -8.8634 -8.4808 -8.4808 -7.9208 -7.9208 -7.8061 -7.8061 -7.1757 -7.1757 -6.7508 -6.7508 -5.7078 -5.7078 -5.3531 -5.3531 -0.5390 -0.5390 -0.4647 -0.4647 -0.0129 -0.0129 0.0214 0.0214 0.2660 0.2660 0.8254 0.8254 1.4046 1.4046 2.1600 2.1600 2.3139 2.3139 2.5354 2.5354 2.6970 2.6970 2.8303 2.8303 3.0789 3.0789 3.4389 3.4389 3.5131 3.5131 3.6143 3.6143 3.7730 3.7730 3.8525 3.8525 5.5064 5.5064 5.5832 5.5832 6.0145 6.0145 6.1210 6.1210 6.3084 6.3084 k = 0.1302-0.4788 0.0000 ( 7775 PWs) bands (ev): -8.8952 -8.8952 -8.5019 -8.5019 -7.9399 -7.9399 -7.8176 -7.8176 -7.1917 -7.1917 -6.7695 -6.7695 -5.6588 -5.6588 -5.3154 -5.3154 -0.4973 -0.4973 -0.4227 -0.4227 0.0410 0.0410 0.0621 0.0621 0.2473 0.2473 0.8543 0.8543 1.4039 1.4039 2.1584 2.1584 2.3004 2.3004 2.5663 2.5663 2.7320 2.7320 2.8330 2.8330 3.1027 3.1027 3.4272 3.4272 3.5441 3.5441 3.6390 3.6390 3.8058 3.8058 3.8645 3.8645 5.4633 5.4633 5.5622 5.5622 6.0172 6.0172 6.1369 6.1369 6.3147 6.3147 k = 0.1236-0.4548 0.0000 ( 7793 PWs) bands (ev): -8.9263 -8.9263 -8.5234 -8.5234 -7.9581 -7.9581 -7.8288 -7.8288 -7.2071 -7.2071 -6.7875 -6.7875 -5.6118 -5.6118 -5.2799 -5.2799 -0.4507 -0.4507 -0.3761 -0.3761 0.0700 0.0700 0.1210 0.1210 0.2375 0.2375 0.8869 0.8869 1.4026 1.4026 2.1530 2.1530 2.2844 2.2844 2.5977 2.5977 2.7638 2.7638 2.8365 2.8365 3.1270 3.1270 3.4121 3.4121 3.5556 3.5556 3.6731 3.6731 3.8300 3.8300 3.8862 3.8862 5.4267 5.4267 5.5474 5.5474 6.0194 6.0194 6.1550 6.1550 6.3216 6.3216 k = 0.1171-0.4309 0.0000 ( 7797 PWs) bands (ev): -8.9565 -8.9565 -8.5449 -8.5449 -7.9752 -7.9752 -7.8398 -7.8398 -7.2220 -7.2220 -6.8050 -6.8050 -5.5669 -5.5669 -5.2466 -5.2466 -0.3993 -0.3993 -0.3256 -0.3256 0.0905 0.0905 0.1637 0.1637 0.2540 0.2540 0.9235 0.9235 1.4011 1.4011 2.1448 2.1448 2.2670 2.2670 2.6273 2.6273 2.7866 2.7866 2.8454 2.8454 3.1523 3.1523 3.3940 3.3940 3.5524 3.5524 3.7114 3.7114 3.8467 3.8467 3.9147 3.9147 5.3978 5.3978 5.5397 5.5397 6.0213 6.0213 6.1737 6.1737 6.3289 6.3289 k = 0.1106-0.4069 0.0000 ( 7795 PWs) bands (ev): -8.9857 -8.9857 -8.5663 -8.5663 -7.9914 -7.9914 -7.8504 -7.8504 -7.2363 -7.2363 -6.8217 -6.8217 -5.5243 -5.5243 -5.2157 -5.2157 -0.3430 -0.3430 -0.2723 -0.2723 0.1031 0.1031 0.1782 0.1782 0.3086 0.3086 0.9640 0.9640 1.3994 1.3994 2.1344 2.1344 2.2488 2.2488 2.6525 2.6525 2.7957 2.7957 2.8632 2.8632 3.1784 3.1784 3.3740 3.3740 3.5401 3.5401 3.7486 3.7486 3.8606 3.8606 3.9440 3.9440 5.3773 5.3773 5.5396 5.5396 6.0233 6.0233 6.1913 6.1913 6.3365 6.3365 k = 0.1041-0.3830 0.0000 ( 7801 PWs) bands (ev): -9.0138 -9.0138 -8.5874 -8.5874 -8.0066 -8.0066 -7.8607 -7.8607 -7.2500 -7.2500 -6.8377 -6.8377 -5.4841 -5.4841 -5.1870 -5.1870 -0.2819 -0.2819 -0.2179 -0.2179 0.1083 0.1083 0.1879 0.1879 0.3787 0.3787 1.0079 1.0079 1.3979 1.3979 2.1224 2.1224 2.2303 2.2303 2.6716 2.6716 2.7962 2.7962 2.8833 2.8833 3.2039 3.2039 3.3542 3.3542 3.5224 3.5224 3.7821 3.7821 3.8742 3.8742 3.9710 3.9710 5.3657 5.3657 5.5474 5.5474 6.0253 6.0253 6.2066 6.2066 6.3441 6.3441 k = 0.0976-0.3591 0.0000 ( 7799 PWs) bands (ev): -9.0407 -9.0407 -8.6080 -8.6080 -8.0209 -8.0209 -7.8706 -7.8706 -7.2631 -7.2631 -6.8529 -6.8529 -5.4464 -5.4464 -5.1606 -5.1606 -0.2163 -0.2163 -0.1657 -0.1657 0.1114 0.1114 0.2013 0.2013 0.4532 0.4532 1.0547 1.0547 1.3970 1.3970 2.1091 2.1091 2.2116 2.2116 2.6827 2.6827 2.7938 2.7938 2.8980 2.8980 3.2249 3.2249 3.3382 3.3382 3.5027 3.5027 3.8106 3.8106 3.8883 3.8883 3.9949 3.9949 5.3627 5.3627 5.5625 5.5625 6.0278 6.0278 6.2189 6.2189 6.3516 6.3516 k = 0.0911-0.3351 0.0000 ( 7795 PWs) bands (ev): -9.0663 -9.0663 -8.6280 -8.6280 -8.0342 -8.0342 -7.8801 -7.8801 -7.2756 -7.2756 -6.8674 -6.8674 -5.4113 -5.4113 -5.1364 -5.1364 -0.1467 -0.1467 -0.1207 -0.1207 0.1197 0.1197 0.2189 0.2189 0.5290 0.5290 1.1034 1.1034 1.3972 1.3972 2.0947 2.0947 2.1929 2.1929 2.6853 2.6853 2.7910 2.7910 2.9022 2.9022 3.2345 3.2345 3.3311 3.3311 3.4859 3.4859 3.8341 3.8341 3.9034 3.9034 4.0160 4.0160 5.3674 5.3674 5.5839 5.5839 6.0311 6.0311 6.2278 6.2278 6.3590 6.3590 k = 0.0846-0.3112 0.0000 ( 7805 PWs) bands (ev): -9.0904 -9.0904 -8.6471 -8.6471 -8.0466 -8.0466 -7.8891 -7.8891 -7.2874 -7.2874 -6.8809 -6.8809 -5.3788 -5.3788 -5.1144 -5.1144 -0.0925 -0.0925 -0.0701 -0.0701 0.1378 0.1378 0.2431 0.2431 0.6046 0.6046 1.1528 1.1528 1.3992 1.3992 2.0792 2.0792 2.1743 2.1743 2.6796 2.6796 2.7878 2.7878 2.8926 2.8926 3.2284 3.2284 3.3330 3.3330 3.4783 3.4783 3.8534 3.8534 3.9197 3.9197 4.0348 4.0348 5.3782 5.3782 5.6099 5.6099 6.0359 6.0359 6.2332 6.2332 6.3660 6.3660 k = 0.0781-0.2873 0.0000 ( 7799 PWs) bands (ev): -9.1130 -9.1130 -8.6654 -8.6654 -8.0581 -8.0581 -7.8975 -7.8975 -7.2985 -7.2985 -6.8937 -6.8937 -5.3489 -5.3489 -5.0945 -5.0945 -0.0768 -0.0768 0.0066 0.0066 0.1618 0.1618 0.2805 0.2805 0.6792 0.6792 1.2012 1.2012 1.4041 1.4041 2.0625 2.0625 2.1555 2.1555 2.6668 2.6668 2.7831 2.7831 2.8690 2.8690 3.2084 3.2084 3.3377 3.3377 3.4847 3.4847 3.8700 3.8700 3.9369 3.9369 4.0521 4.0521 5.3932 5.3932 5.6380 5.6380 6.0432 6.0432 6.2359 6.2359 6.3726 6.3726 k = 0.0716-0.2633 0.0000 ( 7797 PWs) bands (ev): -9.1341 -9.1341 -8.6826 -8.6826 -8.0687 -8.0687 -7.9054 -7.9054 -7.3089 -7.3089 -6.9055 -6.9055 -5.3216 -5.3216 -5.0766 -5.0766 -0.0736 -0.0736 0.0860 0.0860 0.1837 0.1837 0.3361 0.3361 0.7517 0.7517 1.2461 1.2461 1.4134 1.4134 2.0445 2.0445 2.1366 2.1366 2.6478 2.6478 2.7739 2.7739 2.8354 2.8354 3.1762 3.1762 3.3443 3.3443 3.5023 3.5023 3.8860 3.8860 3.9549 3.9549 4.0681 4.0681 5.4105 5.4105 5.6652 5.6652 6.0543 6.0543 6.2366 6.2366 6.3787 6.3787 k = 0.0651-0.2394 0.0000 ( 7805 PWs) bands (ev): -9.1535 -9.1535 -8.6986 -8.6986 -8.0783 -8.0783 -7.9127 -7.9127 -7.3184 -7.3184 -6.9164 -6.9164 -5.2968 -5.2968 -5.0607 -5.0607 -0.0771 -0.0771 0.1588 0.1588 0.2088 0.2088 0.4076 0.4076 0.8213 0.8213 1.2851 1.2851 1.4289 1.4289 2.0247 2.0247 2.1174 2.1174 2.6226 2.6226 2.7527 2.7527 2.8041 2.8041 3.1339 3.1339 3.3543 3.3543 3.5248 3.5248 3.9029 3.9029 3.9737 3.9737 4.0833 4.0833 5.4280 5.4280 5.6884 5.6884 6.0705 6.0705 6.2366 6.2366 6.3844 6.3844 k = 0.0586-0.2154 0.0000 ( 7813 PWs) bands (ev): -9.1713 -9.1713 -8.7133 -8.7133 -8.0871 -8.0871 -7.9195 -7.9195 -7.3272 -7.3272 -6.9263 -6.9263 -5.2747 -5.2747 -5.0466 -5.0466 -0.0839 -0.0839 0.1909 0.1909 0.2723 0.2723 0.4895 0.4895 0.8870 0.8870 1.3162 1.3162 1.4512 1.4512 2.0025 2.0025 2.0978 2.0978 2.5900 2.5900 2.7146 2.7146 2.7859 2.7859 3.0850 3.0850 3.3669 3.3669 3.5472 3.5472 3.9221 3.9221 3.9929 3.9929 4.0978 4.0978 5.4440 5.4440 5.7046 5.7046 6.0929 6.0929 6.2370 6.2370 6.3898 6.3898 k = 0.0521-0.1915 0.0000 ( 7809 PWs) bands (ev): -9.1873 -9.1873 -8.7268 -8.7268 -8.0949 -8.0949 -7.9256 -7.9256 -7.3352 -7.3352 -6.9352 -6.9352 -5.2550 -5.2550 -5.0343 -5.0343 -0.0919 -0.0919 0.2006 0.2006 0.3564 0.3564 0.5779 0.5779 0.9482 0.9482 1.3403 1.3403 1.4780 1.4780 1.9771 1.9771 2.0775 2.0775 2.5487 2.5487 2.6726 2.6726 2.7740 2.7740 3.0330 3.0330 3.3804 3.3804 3.5667 3.5667 3.9438 3.9438 4.0122 4.0122 4.1117 4.1117 5.4575 5.4575 5.7125 5.7125 6.1209 6.1209 6.2390 6.2390 6.3952 6.3952 k = 0.0456-0.1676 0.0000 ( 7807 PWs) bands (ev): -9.2015 -9.2015 -8.7388 -8.7388 -8.1018 -8.1018 -7.9310 -7.9310 -7.3423 -7.3423 -6.9432 -6.9432 -5.2378 -5.2378 -5.0237 -5.0237 -0.1002 -0.1002 0.2057 0.2057 0.4432 0.4432 0.6702 0.6702 1.0044 1.0044 1.3605 1.3605 1.5044 1.5044 1.9473 1.9473 2.0567 2.0567 2.5000 2.5000 2.6354 2.6354 2.7637 2.7637 2.9808 2.9808 3.3934 3.3934 3.5823 3.5823 3.9678 3.9678 4.0307 4.0307 4.1252 4.1252 5.4679 5.4679 5.7121 5.7121 6.1526 6.1526 6.2437 6.2437 6.4005 6.4005 k = 0.0390-0.1436 0.0000 ( 7817 PWs) bands (ev): -9.2139 -9.2139 -8.7493 -8.7493 -8.1079 -8.1079 -7.9357 -7.9357 -7.3485 -7.3485 -6.9501 -6.9501 -5.2231 -5.2231 -5.0146 -5.0146 -0.1079 -0.1079 0.2088 0.2088 0.5286 0.5286 0.7647 0.7647 1.0555 1.0555 1.3793 1.3793 1.5251 1.5251 1.9117 1.9117 2.0359 2.0359 2.4493 2.4493 2.6040 2.6040 2.7540 2.7540 2.9309 2.9309 3.4051 3.4051 3.5940 3.5940 3.9929 3.9929 4.0478 4.0478 4.1385 4.1385 5.4752 5.4752 5.7049 5.7049 6.1838 6.1838 6.2530 6.2530 6.4058 6.4058 k = 0.0325-0.1197 0.0000 ( 7817 PWs) bands (ev): -9.2244 -9.2244 -8.7583 -8.7583 -8.1130 -8.1130 -7.9398 -7.9398 -7.3538 -7.3538 -6.9560 -6.9560 -5.2107 -5.2107 -5.0071 -5.0071 -0.1149 -0.1149 0.2109 0.2109 0.6099 0.6099 0.8595 0.8595 1.1023 1.1023 1.3976 1.3976 1.5359 1.5359 1.8689 1.8689 2.0162 2.0162 2.4025 2.4025 2.5774 2.5774 2.7449 2.7449 2.8852 2.8852 3.4151 3.4151 3.6024 3.6024 4.0177 4.0177 4.0625 4.0625 4.1513 4.1513 5.4799 5.4799 5.6930 5.6930 6.2082 6.2082 6.2703 6.2703 6.4104 6.4104 k = 0.0260-0.0958 0.0000 ( 7809 PWs) bands (ev): -9.2330 -9.2330 -8.7657 -8.7657 -8.1171 -8.1171 -7.9431 -7.9431 -7.3581 -7.3581 -6.9608 -6.9608 -5.2006 -5.2006 -5.0011 -5.0011 -0.1209 -0.1209 0.2122 0.2122 0.6837 0.6837 0.9530 0.9530 1.1461 1.1461 1.4150 1.4150 1.5341 1.5341 1.8183 1.8183 1.9993 1.9993 2.3644 2.3644 2.5548 2.5548 2.7370 2.7370 2.8453 2.8453 3.4232 3.4232 3.6081 3.6081 4.0406 4.0406 4.0745 4.0745 4.1635 4.1635 5.4828 5.4828 5.6788 5.6788 6.2227 6.2227 6.2961 6.2961 6.4137 6.4137 k = 0.0195-0.0718 0.0000 ( 7813 PWs) bands (ev): -9.2398 -9.2398 -8.7715 -8.7715 -8.1204 -8.1204 -7.9457 -7.9457 -7.3615 -7.3615 -6.9646 -6.9646 -5.1928 -5.1928 -4.9964 -4.9964 -0.1257 -0.1257 0.2130 0.2130 0.7460 0.7460 1.0429 1.0429 1.1880 1.1880 1.4284 1.4284 1.5215 1.5215 1.7609 1.7609 1.9867 1.9867 2.3368 2.3368 2.5362 2.5362 2.7308 2.7308 2.8124 2.8124 3.4294 3.4294 3.6119 3.6119 4.0602 4.0602 4.0834 4.0834 4.1741 4.1741 5.4845 5.4845 5.6646 5.6646 6.2306 6.2306 6.3248 6.3248 6.4147 6.4147 k = 0.0130-0.0479 0.0000 ( 7823 PWs) bands (ev): -9.2446 -9.2446 -8.7756 -8.7756 -8.1227 -8.1227 -7.9476 -7.9476 -7.3639 -7.3639 -6.9673 -6.9673 -5.1872 -5.1872 -4.9932 -4.9932 -0.1291 -0.1291 0.2135 0.2135 0.7930 0.7930 1.1262 1.1262 1.2259 1.2259 1.4286 1.4286 1.5104 1.5104 1.7007 1.7007 1.9786 1.9786 2.3192 2.3192 2.5221 2.5221 2.7269 2.7269 2.7874 2.7874 3.4337 3.4337 3.6142 3.6142 4.0755 4.0755 4.0892 4.0892 4.1825 4.1825 5.4856 5.4856 5.6526 5.6526 6.2352 6.2352 6.3515 6.3515 6.4124 6.4124 k = 0.0065-0.0239 0.0000 ( 7827 PWs) bands (ev): -9.2475 -9.2475 -8.7781 -8.7781 -8.1241 -8.1241 -7.9487 -7.9487 -7.3654 -7.3654 -6.9689 -6.9689 -5.1839 -5.1839 -4.9912 -4.9912 -0.1312 -0.1312 0.2138 0.2138 0.8220 0.8220 1.1972 1.1972 1.2513 1.2513 1.4080 1.4080 1.5176 1.5176 1.6461 1.6461 1.9744 1.9744 2.3098 2.3098 2.5133 2.5133 2.7252 2.7252 2.7712 2.7712 3.4363 3.4363 3.6155 3.6155 4.0858 4.0858 4.0919 4.0919 4.1879 4.1879 5.4862 5.4862 5.6445 5.6445 6.2376 6.2376 6.3734 6.3734 6.4063 6.4063 k = 0.0000 0.0000 0.0000 ( 7819 PWs) bands (ev): -9.2485 -9.2485 -8.7790 -8.7790 -8.1246 -8.1246 -7.9491 -7.9491 -7.3659 -7.3659 -6.9694 -6.9694 -5.1828 -5.1828 -4.9905 -4.9905 -0.1319 -0.1319 0.2138 0.2138 0.8317 0.8317 1.2387 1.2387 1.2502 1.2502 1.3928 1.3928 1.5285 1.5285 1.6192 1.6192 1.9731 1.9731 2.3069 2.3069 2.5102 2.5102 2.7249 2.7249 2.7655 2.7655 3.4372 3.4372 3.6159 3.6159 4.0907 4.0907 4.0913 4.0913 4.1897 4.1897 5.4864 5.4864 5.6417 5.6417 6.2384 6.2384 6.3853 6.3853 6.3998 6.3998 k = 0.0000 0.0000 0.0000 ( 7819 PWs) bands (ev): -9.2485 -9.2485 -8.7790 -8.7790 -8.1246 -8.1246 -7.9491 -7.9491 -7.3659 -7.3659 -6.9694 -6.9694 -5.1828 -5.1828 -4.9905 -4.9905 -0.1319 -0.1319 0.2138 0.2138 0.8317 0.8317 1.2387 1.2387 1.2502 1.2502 1.3928 1.3928 1.5285 1.5285 1.6192 1.6192 1.9731 1.9731 2.3069 2.3069 2.5102 2.5102 2.7249 2.7249 2.7655 2.7655 3.4372 3.4372 3.6159 3.6159 4.0907 4.0907 4.0913 4.0913 4.1897 4.1897 5.4864 5.4864 5.6417 5.6417 6.2384 6.2384 6.3853 6.3853 6.3998 6.3998 k = 0.0125-0.0213-0.0051 ( 7827 PWs) bands (ev): -9.2475 -9.2475 -8.7783 -8.7783 -8.1243 -8.1243 -7.9488 -7.9488 -7.3653 -7.3653 -6.9691 -6.9691 -5.1838 -5.1838 -4.9909 -4.9909 -0.1314 -0.1314 0.2135 0.2135 0.8225 0.8225 1.1994 1.1994 1.2515 1.2515 1.4072 1.4072 1.5180 1.5180 1.6450 1.6450 1.9744 1.9744 2.3087 2.3087 2.5140 2.5140 2.7258 2.7258 2.7713 2.7713 3.4360 3.4360 3.6158 3.6158 4.0819 4.0819 4.0963 4.0963 4.1879 4.1879 5.4860 5.4860 5.6441 5.6441 6.2371 6.2371 6.3737 6.3737 6.4058 6.4058 k = 0.0250-0.0426-0.0102 ( 7823 PWs) bands (ev): -9.2446 -9.2446 -8.7761 -8.7761 -8.1234 -8.1234 -7.9477 -7.9477 -7.3635 -7.3635 -6.9681 -6.9681 -5.1868 -5.1868 -4.9922 -4.9922 -0.1300 -0.1300 0.2126 0.2126 0.7950 0.7950 1.1317 1.1317 1.2278 1.2278 1.4279 1.4279 1.5104 1.5104 1.6973 1.6973 1.9786 1.9786 2.3149 2.3149 2.5243 2.5243 2.7294 2.7294 2.7878 2.7878 3.4327 3.4327 3.6155 3.6155 4.0684 4.0684 4.0981 4.0981 4.1825 4.1825 5.4847 5.4847 5.6511 5.6511 6.2333 6.2333 6.3521 6.3521 6.4113 6.4113 k = 0.0375-0.0639-0.0152 ( 7816 PWs) bands (ev): -9.2397 -9.2397 -8.7726 -8.7726 -8.1219 -8.1219 -7.9459 -7.9459 -7.3606 -7.3606 -6.9663 -6.9663 -5.1918 -5.1918 -4.9942 -4.9942 -0.1277 -0.1277 0.2109 0.2109 0.7504 0.7504 1.0524 1.0524 1.1915 1.1915 1.4304 1.4304 1.5204 1.5204 1.7550 1.7550 1.9860 1.9860 2.3282 2.3282 2.5391 2.5391 2.7366 2.7366 2.8142 2.8142 3.4274 3.4274 3.6147 3.6147 4.0503 4.0503 4.0967 4.0967 4.1745 4.1745 5.4826 5.4826 5.6613 5.6613 6.2267 6.2267 6.3257 6.3257 6.4126 6.4126 k = 0.0500-0.0852-0.0203 ( 7814 PWs) bands (ev): -9.2329 -9.2329 -8.7676 -8.7676 -8.1199 -8.1199 -7.9433 -7.9433 -7.3564 -7.3564 -6.9639 -6.9639 -5.1989 -5.1989 -4.9972 -4.9972 -0.1245 -0.1245 0.2084 0.2084 0.6913 0.6913 0.9670 0.9670 1.1510 1.1510 1.4201 1.4201 1.5342 1.5342 1.8090 1.8090 1.9970 1.9970 2.3509 2.3509 2.5562 2.5562 2.7480 2.7480 2.8500 2.8500 3.4201 3.4201 3.6128 3.6128 4.0280 4.0280 4.0918 4.0918 4.1648 4.1648 5.4795 5.4795 5.6734 5.6734 6.2165 6.2165 6.2971 6.2971 6.4104 6.4104 k = 0.0625-0.1065-0.0254 ( 7811 PWs) bands (ev): -9.2242 -9.2242 -8.7613 -8.7613 -8.1172 -8.1172 -7.9401 -7.9401 -7.3512 -7.3512 -6.9607 -6.9607 -5.2080 -5.2080 -5.0011 -5.0011 -0.1204 -0.1204 0.2048 0.2048 0.6212 0.6212 0.8788 0.8788 1.1088 1.1088 1.4056 1.4056 1.5401 1.5401 1.8542 1.8542 2.0123 2.0123 2.3835 2.3835 2.5740 2.5740 2.7636 2.7636 2.8945 2.8945 3.4114 3.4114 3.6092 3.6092 4.0021 4.0021 4.0828 4.0828 4.1552 4.1552 5.4750 5.4750 5.6852 5.6852 6.2007 6.2007 6.2703 6.2703 6.4057 6.4057 k = 0.0750-0.1277-0.0305 ( 7807 PWs) bands (ev): -9.2135 -9.2135 -8.7536 -8.7536 -8.1139 -8.1139 -7.9361 -7.9361 -7.3448 -7.3448 -6.9569 -6.9569 -5.2193 -5.2193 -5.0060 -5.0060 -0.1157 -0.1157 0.1998 0.1998 0.5438 0.5438 0.7901 0.7901 1.0641 1.0641 1.3894 1.3894 1.5366 1.5366 1.8876 1.8876 2.0328 2.0328 2.4238 2.4238 2.5916 2.5916 2.7832 2.7832 2.9466 2.9466 3.4015 3.4015 3.6034 3.6034 3.9734 3.9734 4.0691 4.0691 4.1471 4.1471 5.4688 5.4688 5.6947 5.6947 6.1769 6.1769 6.2504 6.2504 6.3994 6.3994 k = 0.0875-0.1490-0.0355 ( 7802 PWs) bands (ev): -9.2010 -9.2010 -8.7446 -8.7446 -8.1100 -8.1100 -7.9314 -7.9314 -7.3373 -7.3373 -6.9523 -6.9523 -5.2328 -5.2328 -5.0121 -5.0121 -0.1104 -0.1104 0.1929 0.1929 0.4624 0.4624 0.7029 0.7029 1.0159 1.0159 1.3712 1.3712 1.5262 1.5262 1.9091 1.9091 2.0582 2.0582 2.4670 2.4670 2.6096 2.6096 2.8065 2.8065 3.0041 3.0041 3.3911 3.3911 3.5947 3.5947 3.9433 3.9433 4.0513 4.0513 4.1406 4.1406 5.4603 5.4603 5.6999 5.6999 6.1468 6.1468 6.2387 6.2387 6.3924 6.3924 k = 0.1000-0.1703-0.0406 ( 7805 PWs) bands (ev): -9.1867 -9.1867 -8.7343 -8.7343 -8.1055 -8.1055 -7.9260 -7.9260 -7.3288 -7.3288 -6.9471 -6.9471 -5.2485 -5.2485 -5.0194 -5.0194 -0.1047 -0.1047 0.1831 0.1831 0.3794 0.3794 0.6190 0.6190 0.9635 0.9635 1.3494 1.3494 1.5131 1.5131 1.9213 1.9213 2.0866 2.0866 2.5069 2.5069 2.6290 2.6290 2.8329 2.8329 3.0642 3.0642 3.3809 3.3809 3.5828 3.5828 3.9129 3.9129 4.0307 4.0307 4.1354 4.1354 5.4497 5.4497 5.6989 5.6989 6.1154 6.1154 6.2334 6.2334 6.3853 6.3853 k = 0.1125-0.1916-0.0457 ( 7799 PWs) bands (ev): -9.1705 -9.1705 -8.7229 -8.7229 -8.1004 -8.1004 -7.9200 -7.9200 -7.3192 -7.3192 -6.9412 -6.9412 -5.2664 -5.2664 -5.0281 -5.0281 -0.0988 -0.0988 0.1689 0.1689 0.2972 0.2972 0.5407 0.5407 0.9069 0.9069 1.3223 1.3223 1.5014 1.5014 1.9277 1.9277 2.1158 2.1158 2.5385 2.5385 2.6508 2.6508 2.8612 2.8612 3.1235 3.1235 3.3721 3.3721 3.5682 3.5682 3.8837 3.8837 4.0083 4.0083 4.1306 4.1306 5.4371 5.4371 5.6909 5.6909 6.0862 6.0862 6.2327 6.2327 6.3784 6.3784 k = 0.1250-0.2129-0.0508 ( 7797 PWs) bands (ev): -9.1525 -9.1525 -8.7103 -8.7103 -8.0946 -8.0946 -7.9132 -7.9132 -7.3087 -7.3087 -6.9345 -6.9345 -5.2868 -5.2868 -5.0383 -5.0383 -0.0933 -0.0933 0.1472 0.1472 0.2185 0.2185 0.4705 0.4705 0.8463 0.8463 1.2888 1.2888 1.4938 1.4938 1.9311 1.9311 2.1439 2.1439 2.5602 2.5602 2.6739 2.6739 2.8883 2.8883 3.1780 3.1780 3.3657 3.3657 3.5524 3.5524 3.8571 3.8571 3.9849 3.9849 4.1256 4.1256 5.4237 5.4237 5.6764 5.6764 6.0612 6.0612 6.2358 6.2358 6.3719 6.3719 k = 0.1375-0.2342-0.0558 ( 7800 PWs) bands (ev): -9.1328 -9.1328 -8.6966 -8.6966 -8.0882 -8.0882 -7.9058 -7.9058 -7.2973 -7.2973 -6.9272 -6.9272 -5.3095 -5.3095 -5.0502 -5.0502 -0.0888 -0.0888 0.1084 0.1084 0.1524 0.1524 0.4109 0.4109 0.7825 0.7825 1.2494 1.2494 1.4910 1.4910 1.9332 1.9332 2.1702 2.1702 2.5738 2.5738 2.6960 2.6960 2.9100 2.9100 3.2239 3.2239 3.3612 3.3612 3.5391 3.5391 3.8345 3.8345 3.9609 3.9609 4.1199 4.1199 5.4109 5.4109 5.6577 5.6577 6.0407 6.0407 6.2412 6.2412 6.3660 6.3660 k = 0.1500-0.2555-0.0609 ( 7798 PWs) bands (ev): -9.1115 -9.1115 -8.6820 -8.6820 -8.0811 -8.0811 -7.8976 -7.8976 -7.2850 -7.2850 -6.9192 -6.9192 -5.3348 -5.3348 -5.0638 -5.0638 -0.0867 -0.0867 0.0447 0.0447 0.1073 0.1073 0.3638 0.3638 0.7160 0.7160 1.2056 1.2056 1.4925 1.4925 1.9350 1.9350 2.1941 2.1941 2.5814 2.5814 2.7153 2.7153 2.9220 2.9220 3.2576 3.2576 3.3563 3.3563 3.5332 3.5332 3.8167 3.8167 3.9363 3.9363 4.1130 4.1130 5.4005 5.4005 5.6380 5.6380 6.0241 6.0241 6.2477 6.2477 6.3607 6.3607 k = 0.1625-0.2768-0.0660 ( 7801 PWs) bands (ev): -9.0885 -9.0885 -8.6664 -8.6664 -8.0734 -8.0734 -7.8888 -7.8888 -7.2719 -7.2719 -6.9104 -6.9104 -5.3625 -5.3625 -5.0793 -5.0793 -0.0898 -0.0898 -0.0249 -0.0249 0.0685 0.0685 0.3286 0.3286 0.6477 0.6477 1.1591 1.1591 1.4973 1.4973 1.9371 1.9371 2.2154 2.2154 2.5844 2.5844 2.7312 2.7312 2.9220 2.9220 3.2741 3.2741 3.3512 3.3512 3.5372 3.5372 3.8041 3.8041 3.9111 3.9111 4.1046 4.1046 5.3944 5.3944 5.6212 5.6212 6.0102 6.0102 6.2537 6.2537 6.3559 6.3559 k = 0.1750-0.2981-0.0711 ( 7801 PWs) bands (ev): -9.0640 -9.0640 -8.6501 -8.6501 -8.0650 -8.0650 -7.8794 -7.8794 -7.2580 -7.2580 -6.9010 -6.9010 -5.3927 -5.3927 -5.0969 -5.0969 -0.1062 -0.1062 -0.0891 -0.0891 0.0356 0.0356 0.3025 0.3025 0.5783 0.5783 1.1115 1.1115 1.5047 1.5047 1.9400 1.9400 2.2338 2.2338 2.5832 2.5832 2.7435 2.7435 2.9108 2.9108 3.2649 3.2649 3.3548 3.3548 3.5479 3.5479 3.7951 3.7951 3.8862 3.8862 4.0948 4.0948 5.3941 5.3941 5.6111 5.6111 5.9983 5.9983 6.2577 6.2577 6.3521 6.3521 k = 0.1875-0.3194-0.0762 ( 7806 PWs) bands (ev): -9.0379 -9.0379 -8.6330 -8.6330 -8.0559 -8.0559 -7.8692 -7.8692 -7.2435 -7.2435 -6.8908 -6.8908 -5.4255 -5.4255 -5.1166 -5.1166 -0.1606 -0.1606 -0.1257 -0.1257 0.0146 0.0146 0.2822 0.2822 0.5088 0.5088 1.0642 1.0642 1.5139 1.5139 1.9439 1.9439 2.2491 2.2491 2.5775 2.5775 2.7524 2.7524 2.8912 2.8912 3.2348 3.2348 3.3647 3.3647 3.5596 3.5596 3.7852 3.7852 3.8639 3.8639 4.0842 4.0842 5.4007 5.4007 5.6106 5.6106 5.9877 5.9877 6.2586 6.2586 6.3493 6.3493 k = 0.2000-0.3407-0.0812 ( 7811 PWs) bands (ev): -9.0105 -9.0105 -8.6153 -8.6153 -8.0462 -8.0462 -7.8584 -7.8584 -7.2283 -7.2283 -6.8800 -6.8800 -5.4608 -5.4608 -5.1386 -5.1386 -0.2203 -0.2203 -0.1643 -0.1643 0.0048 0.0048 0.2650 0.2650 0.4403 0.4403 1.0181 1.0181 1.5243 1.5243 1.9488 1.9488 2.2611 2.2611 2.5666 2.5666 2.7574 2.7574 2.8674 2.8674 3.1949 3.1949 3.3722 3.3722 3.5687 3.5687 3.7677 3.7677 3.8479 3.8479 4.0733 4.0733 5.4150 5.4150 5.6216 5.6216 5.9782 5.9782 6.2558 6.2558 6.3475 6.3475 k = 0.2125-0.3619-0.0863 ( 7814 PWs) bands (ev): -8.9818 -8.9818 -8.5972 -8.5972 -8.0358 -8.0358 -7.8470 -7.8470 -7.2126 -7.2126 -6.8683 -6.8683 -5.4986 -5.4986 -5.1629 -5.1629 -0.2761 -0.2761 -0.2072 -0.2072 0.0009 0.0009 0.2480 0.2480 0.3746 0.3746 0.9744 0.9744 1.5353 1.5353 1.9548 1.9548 2.2695 2.2695 2.5494 2.5494 2.7570 2.7570 2.8441 2.8441 3.1509 3.1509 3.3738 3.3738 3.5728 3.5728 3.7412 3.7412 3.8375 3.8375 4.0633 4.0633 5.4369 5.4369 5.6448 5.6448 5.9700 5.9700 6.2498 6.2498 6.3465 6.3465 k = 0.2250-0.3832-0.0914 ( 7812 PWs) bands (ev): -8.9520 -8.9520 -8.5787 -8.5787 -8.0247 -8.0247 -7.8349 -7.8349 -7.1963 -7.1963 -6.8560 -6.8560 -5.5389 -5.5389 -5.1897 -5.1897 -0.3274 -0.3274 -0.2501 -0.2501 -0.0016 -0.0016 0.2263 0.2263 0.3168 0.3168 0.9337 0.9337 1.5466 1.5466 1.9617 1.9617 2.2740 2.2740 2.5253 2.5253 2.7484 2.7484 2.8269 2.8269 3.1058 3.1058 3.3690 3.3690 3.5693 3.5693 3.7102 3.7102 3.8278 3.8278 4.0551 4.0551 5.4661 5.4661 5.6794 5.6794 5.9633 5.9633 6.2414 6.2414 6.3459 6.3459 k = 0.2375-0.4045-0.0965 ( 7804 PWs) bands (ev): -8.9210 -8.9210 -8.5601 -8.5601 -8.0130 -8.0130 -7.8221 -7.8221 -7.1796 -7.1796 -6.8428 -6.8428 -5.5814 -5.5814 -5.2190 -5.2190 -0.3743 -0.3743 -0.2905 -0.2905 -0.0051 -0.0051 0.1902 0.1902 0.2769 0.2769 0.8966 0.8966 1.5576 1.5576 1.9693 1.9693 2.2743 2.2743 2.4944 2.4944 2.7304 2.7304 2.8183 2.8183 3.0615 3.0615 3.3587 3.3587 3.5554 3.5554 3.6797 3.6797 3.8160 3.8160 4.0487 4.0487 5.5012 5.5012 5.7231 5.7231 5.9589 5.9589 6.2323 6.2323 6.3455 6.3455 k = 0.2500-0.4258-0.1015 ( 7791 PWs) bands (ev): -8.8892 -8.8892 -8.5413 -8.5413 -8.0006 -8.0006 -7.8086 -7.8086 -7.1626 -7.1626 -6.8289 -6.8289 -5.6262 -5.6262 -5.2507 -5.2507 -0.4169 -0.4169 -0.3272 -0.3272 -0.0111 -0.0111 0.1382 0.1382 0.2571 0.2571 0.8635 0.8635 1.5679 1.5679 1.9773 1.9773 2.2694 2.2694 2.4581 2.4581 2.7057 2.7057 2.8155 2.8155 3.0195 3.0195 3.3437 3.3437 3.5306 3.5306 3.6515 3.6515 3.8022 3.8022 4.0438 4.0438 5.5404 5.5404 5.7726 5.7726 5.9581 5.9581 6.2243 6.2243 6.3456 6.3456 k = 0.2625-0.4471-0.1066 ( 7791 PWs) bands (ev): -8.8565 -8.8565 -8.5226 -8.5226 -7.9877 -7.9877 -7.7946 -7.7946 -7.1452 -7.1452 -6.8141 -6.8141 -5.6730 -5.6730 -5.2848 -5.2848 -0.4553 -0.4553 -0.3594 -0.3594 -0.0207 -0.0207 0.0806 0.0806 0.2479 0.2479 0.8348 0.8348 1.5769 1.5769 1.9849 1.9849 2.2584 2.2584 2.4190 2.4190 2.6773 2.6773 2.8146 2.8146 2.9814 2.9814 3.3249 3.3249 3.4983 3.4983 3.6240 3.6240 3.7882 3.7882 4.0393 4.0393 5.5809 5.5809 5.8223 5.8223 5.9636 5.9636 6.2198 6.2198 6.3469 6.3469 k = 0.2750-0.4684-0.1117 ( 7793 PWs) bands (ev): -8.8233 -8.8233 -8.5042 -8.5042 -7.9741 -7.9741 -7.7799 -7.7799 -7.1276 -7.1276 -6.7985 -6.7985 -5.7217 -5.7217 -5.3214 -5.3214 -0.4900 -0.4900 -0.3868 -0.3868 -0.0345 -0.0345 0.0236 0.0236 0.2445 0.2445 0.8103 0.8103 1.5841 1.5841 1.9915 1.9915 2.2394 2.2394 2.3809 2.3809 2.6467 2.6467 2.8123 2.8123 2.9488 2.9488 3.3022 3.3022 3.4636 3.4636 3.5948 3.5948 3.7750 3.7750 4.0342 4.0342 5.6196 5.6196 5.8628 5.8628 5.9808 5.9808 6.2219 6.2219 6.3509 6.3509 k = 0.2875-0.4897-0.1168 ( 7795 PWs) bands (ev): -8.7897 -8.7897 -8.4861 -8.4861 -7.9601 -7.9601 -7.7646 -7.7646 -7.1098 -7.1098 -6.7821 -6.7821 -5.7721 -5.7721 -5.3603 -5.3603 -0.5213 -0.5213 -0.4092 -0.4092 -0.0551 -0.0551 -0.0278 -0.0278 0.2449 0.2449 0.7901 0.7901 1.5888 1.5888 1.9955 1.9955 2.2114 2.2114 2.3474 2.3474 2.6149 2.6149 2.8057 2.8057 2.9240 2.9240 3.2756 3.2756 3.4307 3.4307 3.5635 3.5635 3.7632 3.7632 4.0276 4.0276 5.6536 5.6536 5.8856 5.8856 6.0130 6.0130 6.2339 6.2339 6.3596 6.3596 k = 0.3000-0.5110-0.1218 ( 7792 PWs) bands (ev): -8.7559 -8.7559 -8.4684 -8.4684 -7.9455 -7.9455 -7.7488 -7.7488 -7.0918 -7.0918 -6.7647 -6.7647 -5.8238 -5.8238 -5.4014 -5.4014 -0.5498 -0.5498 -0.4268 -0.4268 -0.0933 -0.0933 -0.0610 -0.0610 0.2483 0.2483 0.7738 0.7738 1.5902 1.5902 1.9942 1.9942 2.1764 2.1764 2.3203 2.3203 2.5832 2.5832 2.7923 2.7923 2.9086 2.9086 3.2449 3.2449 3.4025 3.4025 3.5311 3.5311 3.7522 3.7522 4.0191 4.0191 5.6810 5.6810 5.8934 5.8934 6.0510 6.0510 6.2585 6.2585 6.3755 6.3755 k = 0.3125-0.5323-0.1269 ( 7790 PWs) bands (ev): -8.7221 -8.7221 -8.4513 -8.4513 -7.9304 -7.9304 -7.7326 -7.7326 -7.0737 -7.0737 -6.7465 -6.7465 -5.8766 -5.8766 -5.4446 -5.4446 -0.5762 -0.5762 -0.4395 -0.4395 -0.1397 -0.1397 -0.0839 -0.0839 0.2540 0.2540 0.7612 0.7612 1.5874 1.5874 1.9831 1.9831 2.1410 2.1410 2.2983 2.2983 2.5532 2.5532 2.7723 2.7723 2.9016 2.9016 3.2108 3.2108 3.3800 3.3800 3.4990 3.4990 3.7417 3.7417 4.0081 4.0081 5.7009 5.7009 5.8932 5.8932 6.0829 6.0829 6.2956 6.2956 6.4010 6.4010 k = 0.3250-0.5536-0.1320 ( 7785 PWs) bands (ev): -8.6887 -8.6887 -8.4350 -8.4350 -7.9150 -7.9150 -7.7159 -7.7159 -7.0555 -7.0555 -6.7274 -6.7274 -5.9301 -5.9301 -5.4897 -5.4897 -0.6009 -0.6009 -0.4478 -0.4478 -0.1836 -0.1836 -0.1055 -0.1055 0.2615 0.2615 0.7519 0.7519 1.5798 1.5798 1.9562 1.9562 2.1138 2.1138 2.2798 2.2798 2.5264 2.5264 2.7483 2.7483 2.9000 2.9000 3.1749 3.1749 3.3624 3.3624 3.4688 3.4688 3.7312 3.7312 3.9946 3.9946 5.7135 5.7135 5.8893 5.8893 6.1039 6.1039 6.3397 6.3397 6.4376 6.4376 k = 0.3375-0.5749-0.1371 ( 7777 PWs) bands (ev): -8.6558 -8.6558 -8.4194 -8.4194 -7.8992 -7.8992 -7.6991 -7.6991 -7.0371 -7.0371 -6.7075 -6.7075 -5.9839 -5.9839 -5.5365 -5.5365 -0.6245 -0.6245 -0.4520 -0.4520 -0.2231 -0.2231 -0.1261 -0.1261 0.2704 0.2704 0.7456 0.7456 1.5666 1.5666 1.9125 1.9125 2.0976 2.0976 2.2636 2.2636 2.5042 2.5042 2.7229 2.7229 2.9006 2.9006 3.1391 3.1391 3.3479 3.3479 3.4420 3.4420 3.7205 3.7205 3.9786 3.9786 5.7193 5.7193 5.8848 5.8848 6.1152 6.1152 6.3803 6.3803 6.4863 6.4863 k = 0.3500-0.5961-0.1421 ( 7775 PWs) bands (ev): -8.6237 -8.6237 -8.4047 -8.4047 -7.8831 -7.8831 -7.6821 -7.6821 -7.0186 -7.0186 -6.6869 -6.6869 -6.0375 -6.0375 -5.5847 -5.5847 -0.6475 -0.6475 -0.4530 -0.4530 -0.2578 -0.2578 -0.1451 -0.1451 0.2802 0.2802 0.7419 0.7419 1.5476 1.5476 1.8575 1.8575 2.0887 2.0887 2.2486 2.2486 2.4878 2.4878 2.6977 2.6977 2.9014 2.9014 3.1053 3.1053 3.3343 3.3343 3.4203 3.4203 3.7096 3.7096 3.9603 3.9603 5.7189 5.7189 5.8818 5.8818 6.1198 6.1198 6.4086 6.4086 6.5462 6.5462 k = 0.3625-0.6174-0.1472 ( 7766 PWs) bands (ev): -8.5928 -8.5928 -8.3910 -8.3910 -7.8669 -7.8669 -7.6652 -7.6652 -6.9998 -6.9998 -6.6659 -6.6659 -6.0901 -6.0901 -5.6342 -5.6342 -0.6700 -0.6700 -0.4516 -0.4516 -0.2868 -0.2868 -0.1617 -0.1617 0.2906 0.2906 0.7408 0.7408 1.5230 1.5230 1.7964 1.7964 2.0830 2.0830 2.2343 2.2343 2.4780 2.4780 2.6739 2.6739 2.9008 2.9008 3.0753 3.0753 3.3195 3.3195 3.4049 3.4049 3.6987 3.6987 3.9401 3.9401 5.7132 5.7132 5.8814 5.8814 6.1205 6.1205 6.4227 6.4227 6.6135 6.6135 k = 0.3750-0.6387-0.1523 ( 7771 PWs) bands (ev): -8.5634 -8.5634 -8.3784 -8.3784 -7.8507 -7.8507 -7.6486 -7.6486 -6.9807 -6.9807 -6.6449 -6.6449 -6.1410 -6.1410 -5.6846 -5.6846 -0.6923 -0.6923 -0.4495 -0.4495 -0.3095 -0.3095 -0.1755 -0.1755 0.3013 0.3013 0.7419 0.7419 1.4933 1.4933 1.7327 1.7327 2.0787 2.0787 2.2200 2.2200 2.4748 2.4748 2.6522 2.6522 2.8975 2.8975 3.0503 3.0503 3.3030 3.3030 3.3957 3.3957 3.6879 3.6879 3.9183 3.9183 5.7034 5.7034 5.8839 5.8839 6.1193 6.1193 6.4251 6.4251 6.6839 6.6839 k = 0.3875-0.6600-0.1574 ( 7771 PWs) bands (ev): -8.5358 -8.5358 -8.3668 -8.3668 -7.8347 -7.8347 -7.6325 -7.6325 -6.9611 -6.9611 -6.6249 -6.6249 -6.1888 -6.1888 -5.7357 -5.7357 -0.7139 -0.7139 -0.4487 -0.4487 -0.3245 -0.3245 -0.1864 -0.1864 0.3123 0.3123 0.7451 0.7451 1.4595 1.4595 1.6684 1.6684 2.0749 2.0749 2.2054 2.2054 2.4777 2.4777 2.6332 2.6332 2.8906 2.8906 3.0310 3.0310 3.2857 3.2857 3.3908 3.3908 3.6778 3.6778 3.8955 3.8955 5.6911 5.6911 5.8885 5.8885 6.1176 6.1176 6.4192 6.4192 6.7543 6.7543 k = 0.4000-0.6813-0.1625 ( 7772 PWs) bands (ev): -8.5102 -8.5102 -8.3564 -8.3564 -7.8190 -7.8190 -7.6172 -7.6172 -6.9409 -6.9409 -6.6071 -6.6071 -6.2318 -6.2318 -5.7872 -5.7872 -0.7348 -0.7348 -0.4514 -0.4514 -0.3307 -0.3307 -0.1944 -0.1944 0.3231 0.3231 0.7501 0.7501 1.4232 1.4232 1.6051 1.6051 2.0715 2.0715 2.1904 2.1904 2.4855 2.4855 2.6174 2.6174 2.8802 2.8802 3.0172 3.0172 3.2694 3.2694 3.3881 3.3881 3.6689 3.6689 3.8719 3.8719 5.6776 5.6776 5.8944 5.8944 6.1165 6.1165 6.4080 6.4080 6.8225 6.8225 k = 0.4125-0.7026-0.1675 ( 7771 PWs) bands (ev): -8.4869 -8.4869 -8.3471 -8.3471 -7.8039 -7.8039 -7.6029 -7.6029 -6.9199 -6.9199 -6.5940 -6.5940 -6.2671 -6.2671 -5.8389 -5.8389 -0.7544 -0.7544 -0.4580 -0.4580 -0.3281 -0.3281 -0.2001 -0.2001 0.3337 0.3337 0.7569 0.7569 1.3858 1.3858 1.5440 1.5440 2.0685 2.0685 2.1754 2.1754 2.4968 2.4968 2.6053 2.6053 2.8673 2.8673 3.0075 3.0075 3.2552 3.2552 3.3858 3.3858 3.6618 3.6618 3.8482 3.8482 5.6639 5.6639 5.9009 5.9009 6.1168 6.1168 6.3935 6.3935 6.8870 6.8870 k = 0.4250-0.7239-0.1726 ( 7775 PWs) bands (ev): -8.4663 -8.4663 -8.3390 -8.3390 -7.7898 -7.7898 -7.5898 -7.5898 -6.8978 -6.8978 -6.5888 -6.5888 -6.2912 -6.2912 -5.8903 -5.8903 -0.7723 -0.7723 -0.4674 -0.4674 -0.3191 -0.3191 -0.2041 -0.2041 0.3438 0.3438 0.7652 0.7652 1.3493 1.3493 1.4861 1.4861 2.0658 2.0658 2.1608 2.1608 2.5097 2.5097 2.5972 2.5972 2.8533 2.8533 3.0002 3.0002 3.2440 3.2440 3.3827 3.3827 3.6573 3.6573 3.8248 3.8248 5.6508 5.6508 5.9070 5.9070 6.1189 6.1189 6.3773 6.3773 6.9462 6.9462 k = 0.4375-0.7452-0.1777 ( 7775 PWs) bands (ev): -8.4484 -8.4484 -8.3322 -8.3322 -7.7769 -7.7769 -7.5783 -7.5783 -6.8744 -6.8744 -6.5944 -6.5944 -6.3007 -6.3007 -5.9412 -5.9412 -0.7882 -0.7882 -0.4775 -0.4775 -0.3061 -0.3061 -0.2072 -0.2072 0.3532 0.3532 0.7745 0.7745 1.3153 1.3153 1.4325 1.4325 2.0638 2.0638 2.1469 2.1469 2.5222 2.5222 2.5937 2.5937 2.8395 2.8395 2.9939 2.9939 3.2363 3.2363 3.3782 3.3782 3.6560 3.6560 3.8019 3.8019 5.6390 5.6390 5.9124 5.9124 6.1230 6.1230 6.3604 6.3604 6.9989 6.9989 k = 0.4500-0.7665-0.1828 ( 7776 PWs) bands (ev): -8.4336 -8.4336 -8.3266 -8.3266 -7.7657 -7.7657 -7.5685 -7.5685 -6.8496 -6.8496 -6.6113 -6.6113 -6.2949 -6.2949 -5.9913 -5.9913 -0.8016 -0.8016 -0.4870 -0.4870 -0.2912 -0.2912 -0.2103 -0.2103 0.3615 0.3615 0.7842 0.7842 1.2856 1.2856 1.3845 1.3845 2.0624 2.0624 2.1344 2.1344 2.5320 2.5320 2.5951 2.5951 2.8267 2.8267 2.9880 2.9880 3.2319 3.2319 3.3722 3.3722 3.6582 3.6582 3.7800 3.7800 5.6288 5.6288 5.9167 5.9167 6.1287 6.1287 6.3439 6.3439 7.0439 7.0439 k = 0.4625-0.7878-0.1878 ( 7784 PWs) bands (ev): -8.4219 -8.4219 -8.3222 -8.3222 -7.7564 -7.7564 -7.5606 -7.5606 -6.8232 -6.8232 -6.6366 -6.6366 -6.2764 -6.2764 -6.0401 -6.0401 -0.8124 -0.8124 -0.4950 -0.4950 -0.2758 -0.2758 -0.2142 -0.2142 0.3685 0.3685 0.7935 0.7935 1.2619 1.2619 1.3434 1.3434 2.0616 2.0616 2.1236 2.1236 2.5383 2.5383 2.6005 2.6005 2.8158 2.8158 2.9825 2.9825 3.2304 3.2304 3.3653 3.3653 3.6636 3.6636 3.7593 3.7593 5.6207 5.6207 5.9199 5.9199 6.1354 6.1354 6.3289 6.3289 7.0801 7.0801 k = 0.4750-0.8090-0.1929 ( 7782 PWs) bands (ev): -8.4135 -8.4135 -8.3191 -8.3191 -7.7496 -7.7496 -7.5549 -7.5549 -6.7951 -6.7951 -6.6665 -6.6665 -6.2486 -6.2486 -6.0873 -6.0873 -0.8202 -0.8202 -0.5010 -0.5010 -0.2612 -0.2612 -0.2193 -0.2193 0.3738 0.3738 0.8014 0.8014 1.2455 1.2455 1.3109 1.3109 2.0615 2.0615 2.1151 2.1151 2.5416 2.5416 2.6075 2.6075 2.8073 2.8073 2.9778 2.9778 3.2308 3.2308 3.3587 3.3587 3.6719 3.6719 3.7403 3.7403 5.6147 5.6147 5.9220 5.9220 6.1419 6.1419 6.3164 6.3164 7.1067 7.1067 k = 0.4875-0.8303-0.1980 ( 7780 PWs) bands (ev): -8.4084 -8.4084 -8.3172 -8.3172 -7.7453 -7.7453 -7.5514 -7.5514 -6.7660 -6.7660 -6.6979 -6.6979 -6.2145 -6.2145 -6.1323 -6.1323 -0.8250 -0.8250 -0.5048 -0.5048 -0.2482 -0.2482 -0.2262 -0.2262 0.3772 0.3772 0.8067 0.8067 1.2364 1.2364 1.2893 1.2893 2.0617 2.0617 2.1096 2.1096 2.5432 2.5432 2.6130 2.6130 2.8019 2.8019 2.9746 2.9746 3.2318 3.2318 3.3539 3.3539 3.6816 3.6816 3.7244 3.7244 5.6110 5.6110 5.9232 5.9232 6.1467 6.1467 6.3080 6.3080 7.1230 7.1230 k = 0.5000-0.8516-0.2031 ( 7780 PWs) bands (ev): -8.4067 -8.4067 -8.3165 -8.3165 -7.7439 -7.7439 -7.5503 -7.5503 -6.7440 -6.7440 -6.7208 -6.7208 -6.1802 -6.1802 -6.1700 -6.1700 -0.8266 -0.8266 -0.5060 -0.5060 -0.2398 -0.2398 -0.2324 -0.2324 0.3783 0.3783 0.8085 0.8085 1.2337 1.2337 1.2816 1.2816 2.0619 2.0619 2.1077 2.1077 2.5436 2.5436 2.6151 2.6151 2.8000 2.8000 2.9735 2.9735 3.2323 3.2323 3.3521 3.3521 3.6874 3.6874 3.7165 3.7165 5.6098 5.6098 5.9236 5.9236 6.1486 6.1486 6.3050 6.3050 7.1285 7.1285 k = 0.5000-0.8516 0.2189 ( 7800 PWs) bands (ev): -8.4080 -8.4080 -8.3202 -8.3202 -7.6732 -7.6732 -7.6209 -7.6209 -6.7374 -6.7374 -6.7298 -6.7298 -6.1830 -6.1830 -6.1583 -6.1583 -0.7530 -0.7530 -0.6266 -0.6266 -0.3671 -0.3671 -0.0900 -0.0900 0.6107 0.6107 0.6387 0.6387 1.0759 1.0759 1.4590 1.4590 1.9729 1.9729 1.9772 1.9772 2.4045 2.4045 2.8361 2.8361 2.9065 2.9065 3.1139 3.1139 3.1966 3.1966 3.4813 3.4813 3.4884 3.4884 3.7172 3.7172 5.7483 5.7483 5.7883 5.7883 6.1483 6.1483 6.2218 6.2218 7.0940 7.0940 k = 0.4875-0.8303 0.2135 ( 7794 PWs) bands (ev): -8.4101 -8.4101 -8.3203 -8.3203 -7.6744 -7.6744 -7.6226 -7.6226 -6.7659 -6.7659 -6.7006 -6.7006 -6.2072 -6.2072 -6.1303 -6.1303 -0.7516 -0.7516 -0.6253 -0.6253 -0.3682 -0.3682 -0.0907 -0.0907 0.6030 0.6030 0.6433 0.6433 1.0814 1.0814 1.4630 1.4630 1.9592 1.9592 1.9946 1.9946 2.4055 2.4055 2.8343 2.8343 2.9076 2.9076 3.1099 3.1099 3.2006 3.2006 3.4765 3.4765 3.4933 3.4933 3.7187 3.7187 5.7482 5.7482 5.7903 5.7903 6.1480 6.1480 6.2239 6.2239 7.0882 7.0882 k = 0.4750-0.8090 0.2080 ( 7796 PWs) bands (ev): -8.4164 -8.4164 -8.3206 -8.3206 -7.6779 -7.6779 -7.6275 -7.6275 -6.7967 -6.7967 -6.6683 -6.6683 -6.2358 -6.2358 -6.0899 -6.0899 -0.7474 -0.7474 -0.6214 -0.6214 -0.3714 -0.3714 -0.0930 -0.0930 0.5864 0.5864 0.6508 0.6508 1.0977 1.0977 1.4746 1.4746 1.9478 1.9478 2.0171 2.0171 2.4083 2.4083 2.8293 2.8293 2.9105 2.9105 3.1000 3.1000 3.2105 3.2105 3.4693 3.4693 3.5006 3.5006 3.7230 3.7230 5.7482 5.7482 5.7959 5.7959 6.1472 6.1472 6.2301 6.2301 7.0712 7.0712 k = 0.4625-0.7878 0.2025 ( 7802 PWs) bands (ev): -8.4265 -8.4265 -8.3216 -8.3216 -7.6838 -7.6838 -7.6353 -7.6353 -6.8261 -6.8261 -6.6378 -6.6378 -6.2585 -6.2585 -6.0465 -6.0465 -0.7406 -0.7406 -0.6151 -0.6151 -0.3761 -0.3761 -0.0966 -0.0966 0.5661 0.5661 0.6571 0.6571 1.1237 1.1237 1.4929 1.4929 1.9411 1.9411 2.0425 2.0425 2.4131 2.4131 2.8219 2.8219 2.9142 2.9142 3.0878 3.0878 3.2232 3.2232 3.4620 3.4620 3.5087 3.5087 3.7298 3.7298 5.7486 5.7486 5.8045 5.8045 6.1463 6.1463 6.2398 6.2398 7.0435 7.0435 k = 0.4500-0.7665 0.1970 ( 7804 PWs) bands (ev): -8.4400 -8.4400 -8.3233 -8.3233 -7.6924 -7.6924 -7.6452 -7.6452 -6.8540 -6.8540 -6.6116 -6.6116 -6.2727 -6.2727 -6.0009 -6.0009 -0.7314 -0.7314 -0.6066 -0.6066 -0.3813 -0.3813 -0.1012 -0.1012 0.5435 0.5435 0.6621 0.6621 1.1580 1.1580 1.5165 1.5165 1.9399 1.9399 2.0701 2.0701 2.4198 2.4198 2.8126 2.8126 2.9175 2.9175 3.0761 3.0761 3.2366 3.2366 3.4552 3.4552 3.5175 3.5175 3.7387 3.7387 5.7499 5.7499 5.8155 5.8155 6.1458 6.1458 6.2524 6.2524 7.0057 7.0057 k = 0.4375-0.7452 0.1916 ( 7795 PWs) bands (ev): -8.4566 -8.4566 -8.3262 -8.3262 -7.7037 -7.7037 -7.6566 -7.6566 -6.8806 -6.8806 -6.5926 -6.5926 -6.2756 -6.2756 -5.9536 -5.9536 -0.7203 -0.7203 -0.5962 -0.5962 -0.3859 -0.3859 -0.1064 -0.1064 0.5196 0.5196 0.6663 0.6663 1.1989 1.1989 1.5438 1.5438 1.9447 1.9447 2.0996 2.0996 2.4284 2.4284 2.8021 2.8021 2.9192 2.9192 3.0672 3.0672 3.2496 3.2496 3.4492 3.4492 3.5273 3.5273 3.7494 3.7494 5.7523 5.7523 5.8286 5.8286 6.1459 6.1459 6.2674 6.2674 6.9588 6.9588 k = 0.4250-0.7239 0.1861 ( 7792 PWs) bands (ev): -8.4760 -8.4760 -8.3304 -8.3304 -7.7178 -7.7178 -7.6686 -7.6686 -6.9059 -6.9059 -6.5830 -6.5830 -6.2653 -6.2653 -5.9051 -5.9051 -0.7077 -0.7077 -0.5844 -0.5844 -0.3882 -0.3882 -0.1115 -0.1115 0.4948 0.4948 0.6702 0.6702 1.2445 1.2445 1.5734 1.5734 1.9561 1.9561 2.1302 2.1302 2.4390 2.4390 2.7909 2.7909 2.9180 2.9180 3.0631 3.0631 3.2616 3.2616 3.4443 3.4443 3.5385 3.5385 3.7615 3.7615 5.7558 5.7558 5.8434 5.8434 6.1468 6.1468 6.2842 6.2842 6.9040 6.9040 k = 0.4125-0.7026 0.1806 ( 7780 PWs) bands (ev): -8.4979 -8.4979 -8.3359 -8.3359 -7.7345 -7.7345 -7.6809 -7.6809 -6.9301 -6.9301 -6.5828 -6.5828 -6.2420 -6.2420 -5.8557 -5.8557 -0.6944 -0.6944 -0.5715 -0.5715 -0.3868 -0.3868 -0.1159 -0.1159 0.4697 0.4697 0.6744 0.6744 1.2926 1.2926 1.6044 1.6044 1.9743 1.9743 2.1615 2.1615 2.4516 2.4516 2.7794 2.7794 2.9133 2.9133 3.0654 3.0654 3.2721 3.2721 3.4410 3.4410 3.5512 3.5512 3.7744 3.7744 5.7602 5.7602 5.8594 5.8594 6.1484 6.1484 6.3023 6.3023 6.8424 6.8424 k = 0.4000-0.6813 0.1752 ( 7788 PWs) bands (ev): -8.5220 -8.5220 -8.3430 -8.3430 -7.7533 -7.7533 -7.6933 -7.6933 -6.9534 -6.9534 -6.5902 -6.5902 -6.2082 -6.2082 -5.8059 -5.8059 -0.6810 -0.6810 -0.5581 -0.5581 -0.3800 -0.3800 -0.1191 -0.1191 0.4446 0.4446 0.6793 0.6793 1.3407 1.3407 1.6369 1.6369 1.9990 1.9990 2.1927 2.1927 2.4661 2.4661 2.7681 2.7681 2.9052 2.9052 3.0746 3.0746 3.2811 3.2811 3.4396 3.4396 3.5658 3.5658 3.7880 3.7880 5.7655 5.7655 5.8762 5.8762 6.1507 6.1507 6.3210 6.3210 6.7754 6.7754 k = 0.3875-0.6600 0.1697 ( 7790 PWs) bands (ev): -8.5482 -8.5482 -8.3515 -8.3515 -7.7736 -7.7736 -7.7057 -7.7057 -6.9758 -6.9758 -6.6028 -6.6028 -6.1667 -6.1667 -5.7558 -5.7558 -0.6682 -0.6682 -0.5443 -0.5443 -0.3665 -0.3665 -0.1202 -0.1202 0.4198 0.4198 0.6851 0.6851 1.3861 1.3861 1.6720 1.6720 2.0291 2.0291 2.2231 2.2231 2.4822 2.4822 2.7579 2.7579 2.8949 2.8949 3.0903 3.0903 3.2886 3.2886 3.4402 3.4402 3.5821 3.5821 3.8019 3.8019 5.7714 5.7714 5.8932 5.8932 6.1533 6.1533 6.3394 6.3394 6.7043 6.7043 k = 0.3750-0.6387 0.1642 ( 7792 PWs) bands (ev): -8.5761 -8.5761 -8.3615 -8.3615 -7.7948 -7.7948 -7.7182 -7.7182 -6.9975 -6.9975 -6.6183 -6.6183 -6.1202 -6.1202 -5.7059 -5.7059 -0.6563 -0.6563 -0.5299 -0.5299 -0.3460 -0.3460 -0.1189 -0.1189 0.3956 0.3956 0.6921 0.6921 1.4258 1.4258 1.7116 1.7116 2.0628 2.0628 2.2522 2.2522 2.4995 2.4995 2.7496 2.7496 2.8839 2.8839 3.1121 3.1121 3.2949 3.2949 3.4429 3.4429 3.6003 3.6003 3.8160 3.8160 5.7775 5.7775 5.9097 5.9097 6.1559 6.1559 6.3559 6.3559 6.6310 6.6310 k = 0.3625-0.6174 0.1587 ( 7799 PWs) bands (ev): -8.6054 -8.6054 -8.3730 -8.3730 -7.8165 -7.8165 -7.7306 -7.7306 -7.0185 -7.0185 -6.6355 -6.6355 -6.0704 -6.0704 -5.6563 -5.6563 -0.6453 -0.6453 -0.5148 -0.5148 -0.3184 -0.3184 -0.1145 -0.1145 0.3722 0.3722 0.7004 0.7004 1.4576 1.4576 1.7573 1.7573 2.0980 2.0980 2.2794 2.2794 2.5172 2.5172 2.7441 2.7441 2.8738 2.8738 3.1392 3.1392 3.3006 3.3006 3.4479 3.4479 3.6201 3.6201 3.8300 3.8300 5.7833 5.7833 5.9245 5.9245 6.1578 6.1578 6.3682 6.3682 6.5576 6.5576 k = 0.3500-0.5961 0.1533 ( 7799 PWs) bands (ev): -8.6360 -8.6360 -8.3858 -8.3858 -7.8382 -7.8382 -7.7431 -7.7431 -7.0390 -7.0390 -6.6536 -6.6536 -6.0187 -6.0187 -5.6075 -5.6075 -0.6344 -0.6344 -0.4985 -0.4985 -0.2845 -0.2845 -0.1069 -0.1069 0.3499 0.3499 0.7103 0.7103 1.4809 1.4809 1.8092 1.8092 2.1325 2.1325 2.3045 2.3045 2.5342 2.5342 2.7424 2.7424 2.8662 2.8662 3.1710 3.1710 3.3062 3.3062 3.4551 3.4551 3.6413 3.6413 3.8440 3.8440 5.7883 5.7883 5.9360 5.9360 6.1581 6.1581 6.3722 6.3722 6.4881 6.4881 k = 0.3375-0.5749 0.1478 ( 7791 PWs) bands (ev): -8.6676 -8.6676 -8.4000 -8.4000 -7.8596 -7.8596 -7.7555 -7.7555 -7.0589 -7.0589 -6.6719 -6.6719 -5.9660 -5.9660 -5.5597 -5.5597 -0.6228 -0.6228 -0.4810 -0.4810 -0.2448 -0.2448 -0.0962 -0.0962 0.3288 0.3288 0.7218 0.7218 1.4965 1.4965 1.8656 1.8656 2.1646 2.1646 2.3270 2.3270 2.5498 2.5498 2.7441 2.7441 2.8634 2.8634 3.2065 3.2065 3.3124 3.3124 3.4649 3.4649 3.6636 3.6636 3.8579 3.8579 5.7917 5.7917 5.9416 5.9416 6.1554 6.1554 6.3600 6.3600 6.4308 6.4308 k = 0.3250-0.5536 0.1423 ( 7797 PWs) bands (ev): -8.6999 -8.6999 -8.4153 -8.4153 -7.8804 -7.8804 -7.7678 -7.7678 -7.0783 -7.0783 -6.6903 -6.6903 -5.9130 -5.9130 -5.5131 -5.5131 -0.6094 -0.6094 -0.4622 -0.4622 -0.2001 -0.2001 -0.0825 -0.0825 0.3093 0.3093 0.7353 0.7353 1.5059 1.5059 1.9241 1.9241 2.1934 2.1934 2.3462 2.3462 2.5645 2.5645 2.7476 2.7476 2.8678 2.8678 3.2440 3.2440 3.3206 3.3206 3.4777 3.4777 3.6867 3.6867 3.8716 3.8716 5.7922 5.7922 5.9378 5.9378 6.1478 6.1478 6.3246 6.3246 6.3964 6.3964 k = 0.3125-0.5323 0.1368 ( 7797 PWs) bands (ev): -8.7327 -8.7327 -8.4318 -8.4318 -7.9006 -7.9006 -7.7799 -7.7799 -7.0973 -7.0973 -6.7085 -6.7085 -5.8603 -5.8603 -5.4680 -5.4680 -0.5934 -0.5934 -0.4417 -0.4417 -0.1515 -0.1515 -0.0663 -0.0663 0.2917 0.2917 0.7510 0.7510 1.5105 1.5105 1.9812 1.9812 2.2195 2.2195 2.3610 2.3610 2.5797 2.5797 2.7503 2.7503 2.8813 2.8813 3.2787 3.2787 3.3345 3.3345 3.4938 3.4938 3.7100 3.7100 3.8853 3.8853 5.7881 5.7881 5.9208 5.9208 6.1333 6.1333 6.2841 6.2841 6.3759 6.3759 k = 0.3000-0.5110 0.1314 ( 7790 PWs) bands (ev): -8.7657 -8.7657 -8.4493 -8.4493 -7.9200 -7.9200 -7.7918 -7.7918 -7.1158 -7.1158 -6.7264 -6.7264 -5.8083 -5.8083 -5.4245 -5.4245 -0.5739 -0.5739 -0.4194 -0.4194 -0.1005 -0.1005 -0.0470 -0.0470 0.2763 0.2763 0.7692 0.7692 1.5114 1.5114 2.0325 2.0325 2.2451 2.2451 2.3707 2.3707 2.5973 2.5973 2.7512 2.7512 2.9033 2.9033 3.3023 3.3023 3.3615 3.3615 3.5137 3.5137 3.7332 3.7332 3.8993 3.8993 5.7766 5.7766 5.8892 5.8892 6.1110 6.1110 6.2558 6.2558 6.3623 6.3623 k = 0.2875-0.4897 0.1259 ( 7787 PWs) bands (ev): -8.7988 -8.7988 -8.4675 -8.4675 -7.9385 -7.9385 -7.8034 -7.8034 -7.1338 -7.1338 -6.7440 -6.7440 -5.7574 -5.7574 -5.3829 -5.3829 -0.5504 -0.5504 -0.3950 -0.3950 -0.0542 -0.0542 -0.0192 -0.0192 0.2635 0.2635 0.7902 0.7902 1.5095 1.5095 2.0733 2.0733 2.2730 2.2730 2.3762 2.3762 2.6183 2.6183 2.7510 2.7510 2.9314 2.9314 3.3142 3.3142 3.4003 3.4003 3.5373 3.5373 3.7558 3.7558 3.9137 3.9137 5.7543 5.7543 5.8465 5.8465 6.0836 6.0836 6.2431 6.2431 6.3552 6.3552 k = 0.2750-0.4684 0.1204 ( 7787 PWs) bands (ev): -8.8316 -8.8316 -8.4865 -8.4865 -7.9560 -7.9560 -7.8147 -7.8147 -7.1513 -7.1513 -6.7612 -6.7612 -5.7079 -5.7079 -5.3434 -5.3434 -0.5224 -0.5224 -0.3683 -0.3683 -0.0264 -0.0264 0.0293 0.0293 0.2540 0.2540 0.8142 0.8142 1.5056 1.5056 2.1004 2.1004 2.3015 2.3015 2.3823 2.3823 2.6417 2.6417 2.7514 2.7514 2.9630 2.9630 3.3211 3.3211 3.4430 3.4430 3.5639 3.5639 3.7773 3.7773 3.9291 3.9291 5.7185 5.7185 5.7992 5.7992 6.0578 6.0578 6.2420 6.2420 6.3534 6.3534 k = 0.2625-0.4471 0.1149 ( 7795 PWs) bands (ev): -8.8641 -8.8641 -8.5059 -8.5059 -7.9726 -7.9726 -7.8257 -7.8257 -7.1684 -7.1684 -6.7779 -6.7779 -5.6600 -5.6600 -5.3059 -5.3059 -0.4897 -0.4897 -0.3390 -0.3390 -0.0082 -0.0082 0.0883 0.0883 0.2484 0.2484 0.8416 0.8416 1.5000 1.5000 2.1143 2.1143 2.3186 2.3186 2.4011 2.4011 2.6658 2.6658 2.7543 2.7543 2.9962 2.9962 3.3255 3.3255 3.4854 3.4854 3.5921 3.5921 3.7976 3.7976 3.9457 3.9457 5.6704 5.6704 5.7522 5.7522 6.0382 6.0382 6.2474 6.2474 6.3551 6.3551 k = 0.2500-0.4258 0.1095 ( 7795 PWs) bands (ev): -8.8959 -8.8959 -8.5257 -8.5257 -7.9881 -7.9881 -7.8363 -7.8363 -7.1849 -7.1849 -6.7941 -6.7941 -5.6141 -5.6141 -5.2708 -5.2708 -0.4519 -0.4519 -0.3074 -0.3074 0.0068 0.0068 0.1489 0.1489 0.2485 0.2485 0.8725 0.8725 1.4934 1.4934 2.1184 2.1184 2.3173 2.3173 2.4363 2.4363 2.6875 2.6875 2.7626 2.7626 3.0299 3.0299 3.3282 3.3282 3.5250 3.5250 3.6199 3.6199 3.8169 3.8169 3.9636 3.9636 5.6156 5.6156 5.7075 5.7075 6.0258 6.0258 6.2555 6.2555 6.3587 6.3587 k = 0.2375-0.4045 0.1040 ( 7804 PWs) bands (ev): -8.9271 -8.9271 -8.5456 -8.5456 -8.0027 -8.0027 -7.8466 -7.8466 -7.2009 -7.2009 -6.8098 -6.8098 -5.5702 -5.5702 -5.2379 -5.2379 -0.4089 -0.4089 -0.2740 -0.2740 0.0202 0.0202 0.2008 0.2008 0.2630 0.2630 0.9069 0.9069 1.4860 1.4860 2.1160 2.1160 2.3061 2.3061 2.4763 2.4763 2.7033 2.7033 2.7793 2.7793 3.0633 3.0633 3.3296 3.3296 3.5589 3.5589 3.6459 3.6459 3.8362 3.8362 3.9827 3.9827 5.5604 5.5604 5.6673 5.6673 6.0192 6.0192 6.2642 6.2642 6.3630 6.3630 k = 0.2250-0.3832 0.0985 ( 7804 PWs) bands (ev): -8.9574 -8.9574 -8.5655 -8.5655 -8.0162 -8.0162 -7.8564 -7.8564 -7.2164 -7.2164 -6.8250 -6.8250 -5.5286 -5.5286 -5.2075 -5.2075 -0.3608 -0.3608 -0.2396 -0.2396 0.0335 0.0335 0.2250 0.2250 0.3097 0.3097 0.9448 0.9448 1.4783 1.4783 2.1093 2.1093 2.2903 2.2903 2.5128 2.5128 2.7131 2.7131 2.8045 2.8045 3.0957 3.0957 3.3302 3.3302 3.5831 3.5831 3.6700 3.6700 3.8562 3.8562 4.0023 4.0023 5.5091 5.5091 5.6340 5.6340 6.0167 6.0167 6.2719 6.2719 6.3674 6.3674 k = 0.2125-0.3619 0.0931 ( 7808 PWs) bands (ev): -8.9866 -8.9866 -8.5852 -8.5852 -8.0289 -8.0289 -7.8659 -7.8659 -7.2313 -7.2313 -6.8395 -6.8395 -5.4893 -5.4893 -5.1794 -5.1794 -0.3078 -0.3078 -0.2061 -0.2061 0.0490 0.0490 0.2348 0.2348 0.3744 0.3744 0.9858 0.9858 1.4706 1.4706 2.1000 2.1000 2.2720 2.2720 2.5423 2.5423 2.7190 2.7190 2.8349 2.8349 3.1258 3.1258 3.3308 3.3308 3.5940 3.5940 3.6940 3.6940 3.8774 3.8774 4.0214 4.0214 5.4648 5.4648 5.6098 5.6098 6.0168 6.0168 6.2774 6.2774 6.3714 6.3714 k = 0.2000-0.3407 0.0876 ( 7808 PWs) bands (ev): -9.0147 -9.0147 -8.6046 -8.6046 -8.0406 -8.0406 -7.8749 -7.8749 -7.2456 -7.2456 -6.8535 -6.8535 -5.4525 -5.4525 -5.1536 -5.1536 -0.2500 -0.2500 -0.1755 -0.1755 0.0693 0.0693 0.2429 0.2429 0.4436 0.4436 1.0296 1.0296 1.4634 1.4634 2.0888 2.0888 2.2521 2.2521 2.5636 2.5636 2.7228 2.7228 2.8663 2.8663 3.1519 3.1519 3.3329 3.3329 3.5908 3.5908 3.7182 3.7182 3.8992 3.8992 4.0393 4.0393 5.4299 5.4299 5.5960 5.5960 6.0187 6.0187 6.2801 6.2801 6.3751 6.3751 k = 0.1875-0.3194 0.0821 ( 7802 PWs) bands (ev): -9.0416 -9.0416 -8.6235 -8.6235 -8.0514 -8.0514 -7.8834 -7.8834 -7.2592 -7.2592 -6.8668 -6.8668 -5.4181 -5.4181 -5.1302 -5.1302 -0.1894 -0.1894 -0.1487 -0.1487 0.0964 0.0964 0.2524 0.2524 0.5141 0.5141 1.0753 1.0753 1.4570 1.4570 2.0765 2.0765 2.2312 2.2312 2.5771 2.5771 2.7248 2.7248 2.8944 2.8944 3.1718 3.1718 3.3379 3.3379 3.5767 3.5767 3.7421 3.7421 3.9209 3.9209 4.0553 4.0553 5.4056 5.4056 5.5929 5.5929 6.0219 6.0219 6.2798 6.2798 6.3782 6.3782 k = 0.1750-0.2981 0.0766 ( 7797 PWs) bands (ev): -9.0671 -9.0671 -8.6417 -8.6417 -8.0613 -8.0613 -7.8915 -7.8915 -7.2722 -7.2722 -6.8794 -6.8794 -5.3863 -5.3863 -5.1090 -5.1090 -0.1436 -0.1436 -0.1094 -0.1094 0.1298 0.1298 0.2658 0.2658 0.5849 0.5849 1.1223 1.1223 1.4520 1.4520 2.0633 2.0633 2.2095 2.2095 2.5839 2.5839 2.7249 2.7249 2.9145 2.9145 3.1840 3.1840 3.3465 3.3465 3.5565 3.5565 3.7649 3.7649 3.9414 3.9414 4.0693 4.0693 5.3921 5.3921 5.5995 5.5995 6.0265 6.0265 6.2765 6.2765 6.3808 6.3808 k = 0.1625-0.2768 0.0712 ( 7798 PWs) bands (ev): -9.0912 -9.0912 -8.6592 -8.6592 -8.0705 -8.0705 -7.8992 -7.8992 -7.2845 -7.2845 -6.8913 -6.8913 -5.3569 -5.3569 -5.0900 -5.0900 -0.1284 -0.1284 -0.0418 -0.0418 0.1642 0.1642 0.2883 0.2883 0.6550 0.6550 1.1692 1.1692 1.4492 1.4492 2.0495 2.0495 2.1871 2.1871 2.5851 2.5851 2.7225 2.7225 2.9222 2.9222 3.1886 3.1886 3.3560 3.3560 3.5364 3.5364 3.7872 3.7872 3.9606 3.9606 4.0814 4.0814 5.3887 5.3887 5.6140 5.6140 6.0327 6.0327 6.2709 6.2709 6.3831 6.3831 k = 0.1500-0.2555 0.0657 ( 7798 PWs) bands (ev): -9.1137 -9.1137 -8.6758 -8.6758 -8.0788 -8.0788 -7.9063 -7.9063 -7.2960 -7.2960 -6.9025 -6.9025 -5.3300 -5.3300 -5.0730 -5.0730 -0.1218 -0.1218 0.0329 0.0329 0.1914 0.1914 0.3267 0.3267 0.7237 0.7237 1.2146 1.2146 1.4494 1.4494 2.0351 2.0351 2.1642 2.1642 2.5814 2.5814 2.7170 2.7170 2.9150 2.9150 3.1851 3.1851 3.3624 3.3624 3.5241 3.5241 3.8098 3.8098 3.9785 3.9785 4.0921 4.0921 5.3935 5.3935 5.6336 5.6336 6.0412 6.0412 6.2639 6.2639 6.3852 6.3852 k = 0.1375-0.2342 0.0602 ( 7798 PWs) bands (ev): -9.1347 -9.1347 -8.6914 -8.6914 -8.0864 -8.0864 -7.9129 -7.9129 -7.3068 -7.3068 -6.9129 -6.9129 -5.3056 -5.3056 -5.0581 -5.0581 -0.1191 -0.1191 0.1102 0.1102 0.2094 0.2094 0.3826 0.3826 0.7902 0.7902 1.2566 1.2566 1.4538 1.4538 2.0198 2.0198 2.1409 2.1409 2.5729 2.5729 2.7079 2.7079 2.8943 2.8943 3.1700 3.1700 3.3647 3.3647 3.5242 3.5242 3.8335 3.8335 3.9956 3.9956 4.1019 4.1019 5.4043 5.4043 5.6552 5.6552 6.0531 6.0531 6.2566 6.2566 6.3872 6.3872 k = 0.1250-0.2129 0.0547 ( 7808 PWs) bands (ev): -9.1541 -9.1541 -8.7060 -8.7060 -8.0932 -8.0932 -7.9191 -7.9191 -7.3167 -7.3167 -6.9225 -6.9225 -5.2835 -5.2835 -5.0449 -5.0449 -0.1187 -0.1187 0.1809 0.1809 0.2296 0.2296 0.4514 0.4514 0.8539 0.8539 1.2934 1.2934 1.4635 1.4635 2.0032 2.0032 2.1172 2.1172 2.5592 2.5592 2.6941 2.6941 2.8648 2.8648 3.1404 3.1404 3.3676 3.3676 3.5344 3.5344 3.8589 3.8589 4.0125 4.0125 4.1109 4.1109 5.4183 5.4183 5.6752 5.6752 6.0694 6.0694 6.2504 6.2504 6.3894 6.3894 k = 0.1125-0.1916 0.0493 ( 7802 PWs) bands (ev): -9.1717 -9.1717 -8.7194 -8.7194 -8.0993 -8.0993 -7.9247 -7.9247 -7.3258 -7.3258 -6.9312 -6.9312 -5.2638 -5.2638 -5.0335 -5.0335 -0.1196 -0.1196 0.2084 0.2084 0.2912 0.2912 0.5284 0.5284 0.9140 0.9140 1.3235 1.3235 1.4789 1.4789 1.9847 1.9847 2.0934 2.0934 2.5393 2.5393 2.6750 2.6750 2.8327 2.8327 3.0975 3.0975 3.3742 3.3742 3.5492 3.5492 3.8863 3.8863 4.0292 4.0292 4.1194 4.1194 5.4331 5.4331 5.6904 5.6904 6.0910 6.0910 6.2466 6.2466 6.3921 6.3921 k = 0.1000-0.1703 0.0438 ( 7798 PWs) bands (ev): -9.1876 -9.1876 -8.7316 -8.7316 -8.1047 -8.1047 -7.9297 -7.9297 -7.3341 -7.3341 -6.9391 -6.9391 -5.2464 -5.2464 -5.0237 -5.0237 -0.1213 -0.1213 0.2140 0.2140 0.3735 0.3735 0.6110 0.6110 0.9700 0.9700 1.3473 1.3473 1.4982 1.4982 1.9630 1.9630 2.0698 2.0698 2.5120 2.5120 2.6511 2.6511 2.8037 2.8037 3.0465 3.0465 3.3838 3.3838 3.5646 3.5646 3.9153 3.9153 4.0456 4.0456 4.1279 4.1279 5.4470 5.4470 5.6989 5.6989 6.1177 6.1177 6.2460 6.2460 6.3955 6.3955 k = 0.0875-0.1490 0.0383 ( 7803 PWs) bands (ev): -9.2018 -9.2018 -8.7425 -8.7425 -8.1094 -8.1094 -7.9342 -7.9342 -7.3414 -7.3414 -6.9461 -6.9461 -5.2312 -5.2312 -5.0154 -5.0154 -0.1233 -0.1233 0.2158 0.2158 0.4581 0.4581 0.6974 0.6974 1.0215 1.0215 1.3669 1.3669 1.5175 1.5175 1.9365 1.9365 2.0471 2.0471 2.4771 2.4771 2.6248 2.6248 2.7805 2.7805 2.9924 2.9924 3.3944 3.3944 3.5785 3.5785 3.9450 3.9450 4.0611 4.0611 4.1366 4.1366 5.4588 5.4588 5.7002 5.7002 6.1476 6.1476 6.2498 6.2498 6.3995 6.3995 k = 0.0750-0.1277 0.0328 ( 7809 PWs) bands (ev): -9.2141 -9.2141 -8.7520 -8.7520 -8.1135 -8.1135 -7.9381 -7.9381 -7.3478 -7.3478 -6.9523 -6.9523 -5.2182 -5.2182 -5.0084 -5.0084 -0.1253 -0.1253 0.2162 0.2162 0.5411 0.5411 0.7861 0.7861 1.0687 1.0687 1.3844 1.3844 1.5321 1.5321 1.9036 1.9036 2.0264 2.0264 2.4373 2.4373 2.5993 2.5993 2.7627 2.7627 2.9394 2.9394 3.4048 3.4048 3.5901 3.5901 3.9744 3.9744 4.0747 4.0747 4.1458 4.1458 5.4680 5.4680 5.6951 5.6951 6.1773 6.1773 6.2591 6.2591 6.4040 6.4040 k = 0.0625-0.1065 0.0274 ( 7814 PWs) bands (ev): -9.2245 -9.2245 -8.7602 -8.7602 -8.1169 -8.1169 -7.9415 -7.9415 -7.3533 -7.3533 -6.9575 -6.9575 -5.2073 -5.2073 -5.0027 -5.0027 -0.1271 -0.1271 0.2160 0.2160 0.6198 0.6198 0.8757 0.8757 1.1123 1.1123 1.4010 1.4010 1.5382 1.5382 1.8627 1.8627 2.0086 2.0086 2.3976 2.3976 2.5758 2.5758 2.7491 2.7491 2.8906 2.8906 3.4142 3.4142 3.5991 3.5991 4.0024 4.0024 4.0855 4.0855 4.1557 4.1557 5.4747 5.4747 5.6855 5.6855 6.2018 6.2018 6.2758 6.2758 6.4084 6.4084 k = 0.0500-0.0852 0.0219 ( 7812 PWs) bands (ev): -9.2331 -9.2331 -8.7669 -8.7669 -8.1197 -8.1197 -7.9442 -7.9442 -7.3578 -7.3578 -6.9618 -6.9618 -5.1984 -5.1984 -4.9982 -4.9982 -0.1288 -0.1288 0.2155 0.2155 0.6907 0.6907 0.9645 0.9645 1.1537 1.1537 1.4163 1.4163 1.5335 1.5335 1.8136 1.8136 1.9945 1.9945 2.3630 2.3630 2.5548 2.5548 2.7389 2.7389 2.8482 2.8482 3.4222 3.4222 3.6059 3.6059 4.0279 4.0279 4.0931 4.0931 4.1659 4.1659 5.4794 5.4794 5.6736 5.6736 6.2182 6.2182 6.2999 6.2999 6.4119 6.4119 k = 0.0375-0.0639 0.0164 ( 7816 PWs) bands (ev): -9.2398 -9.2398 -8.7722 -8.7722 -8.1218 -8.1218 -7.9464 -7.9464 -7.3614 -7.3614 -6.9651 -6.9651 -5.1916 -5.1916 -4.9948 -4.9948 -0.1301 -0.1301 0.2148 0.2148 0.7503 0.7503 1.0505 1.0505 1.1933 1.1933 1.4278 1.4278 1.5201 1.5201 1.7576 1.7576 1.9842 1.9842 2.3367 2.3367 2.5367 2.5367 2.7316 2.7316 2.8136 2.8136 3.4287 3.4287 3.6106 3.6106 4.0500 4.0500 4.0974 4.0974 4.1753 4.1753 5.4826 5.4826 5.6615 5.6615 6.2281 6.2281 6.3270 6.3270 6.4132 6.4132 k = 0.0250-0.0426 0.0109 ( 7823 PWs) bands (ev): -9.2446 -9.2446 -8.7759 -8.7759 -8.1234 -8.1234 -7.9479 -7.9479 -7.3639 -7.3639 -6.9675 -6.9675 -5.1867 -5.1867 -4.9924 -4.9924 -0.1311 -0.1311 0.2143 0.2143 0.7950 0.7950 1.1306 1.1306 1.2288 1.2288 1.4267 1.4267 1.5099 1.5099 1.6988 1.6988 1.9777 1.9777 2.3193 2.3193 2.5226 2.5226 2.7272 2.7272 2.7877 2.7877 3.4333 3.4333 3.6136 3.6136 4.0680 4.0680 4.0986 4.0986 4.1830 4.1830 5.4847 5.4847 5.6511 5.6511 6.2341 6.2341 6.3526 6.3526 6.4115 6.4115 k = 0.0125-0.0213 0.0055 ( 7828 PWs) bands (ev): -9.2475 -9.2475 -8.7782 -8.7782 -8.1243 -8.1243 -7.9488 -7.9488 -7.3654 -7.3654 -6.9690 -6.9690 -5.1838 -5.1838 -4.9910 -4.9910 -0.1317 -0.1317 0.2140 0.2140 0.8225 0.8225 1.1989 1.1989 1.2519 1.2519 1.4070 1.4070 1.5176 1.5176 1.6455 1.6455 1.9742 1.9742 2.3099 2.3099 2.5134 2.5134 2.7253 2.7253 2.7713 2.7713 3.4362 3.4362 3.6153 3.6153 4.0816 4.0816 4.0966 4.0966 4.1880 4.1880 5.4860 5.4860 5.6442 5.6442 6.2373 6.2373 6.3739 6.3739 6.4059 6.4059 k = 0.0000 0.0000 0.0000 ( 7819 PWs) bands (ev): -9.2485 -9.2485 -8.7790 -8.7790 -8.1246 -8.1246 -7.9491 -7.9491 -7.3659 -7.3659 -6.9694 -6.9694 -5.1828 -5.1828 -4.9905 -4.9905 -0.1319 -0.1319 0.2138 0.2138 0.8317 0.8317 1.2387 1.2387 1.2502 1.2502 1.3928 1.3928 1.5285 1.5285 1.6192 1.6192 1.9731 1.9731 2.3069 2.3069 2.5102 2.5102 2.7249 2.7249 2.7655 2.7655 3.4372 3.4372 3.6159 3.6159 4.0907 4.0907 4.0913 4.0913 4.1897 4.1897 5.4864 5.4864 5.6417 5.6417 6.2384 6.2384 6.3853 6.3853 6.3998 6.3998 Writing output data file TeI.save init_run : 0.35s CPU 0.46s WALL ( 1 calls) electrons : 422.41s CPU 426.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 422.41s CPU 426.07s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.10s WALL ( 307 calls) cegterg : 386.58s CPU 389.61s WALL ( 312 calls) Called by sum_band: Called by *egterg: h_psi : 261.53s CPU 264.57s WALL ( 5661 calls) s_psi : 12.51s CPU 12.53s WALL ( 5661 calls) g_psi : 0.20s CPU 0.25s WALL ( 5042 calls) cdiaghg : 111.84s CPU 112.27s WALL ( 5349 calls) cegterg:over : 13.49s CPU 13.60s WALL ( 5042 calls) cegterg:upda : 7.64s CPU 7.68s WALL ( 5042 calls) cegterg:last : 4.32s CPU 4.34s WALL ( 952 calls) cdiaghg:chol : 4.23s CPU 4.36s WALL ( 5349 calls) cdiaghg:inve : 3.02s CPU 2.97s WALL ( 5349 calls) cdiaghg:para : 7.35s CPU 7.47s WALL ( 10698 calls) Called by h_psi: h_psi:vloc : 236.63s CPU 239.52s WALL ( 5661 calls) h_psi:vnl : 24.67s CPU 24.82s WALL ( 5661 calls) add_vuspsi : 13.30s CPU 13.23s WALL ( 5661 calls) General routines calbec : 11.34s CPU 11.57s WALL ( 5661 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 229.21s CPU 231.88s WALL ( 821004 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.23s WALL ( 614 calls) Parallel routines fft_scatter : 134.95s CPU 136.77s WALL ( 821027 calls) PWSCF : 7m52.24s CPU 8m12.36s WALL This run was terminated on: 5:53:54 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=