Program PWSCF v.5.1.1 starts on 12Jun2016 at 12:58:24 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiAlTe2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 124 124 33 4483 4483 631 Max 125 125 34 4489 4489 635 Sum 5995 5995 1625 215355 215355 30353 bravais-lattice index = 14 lattice parameter (alat) = 13.8055 a.u. unit-cell volume = 1530.6607 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.805498 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.634985 celldm(5)= -0.634985 celldm(6)= 0.269969 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.269969 0.962869 0.000000 ) a(3) = ( -0.634985 -0.481434 0.604165 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.280380 0.827589 ) b(2) = ( 0.000000 1.038563 0.827589 ) b(3) = ( 0.000000 0.000000 1.655177 ) PseudoPot. # 1 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /home/autes/Pseudo/Te_MT_PBE.UPF MD5 check sum: 58ccb0a2ae5f507b1c31ab9daa3b9941 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1245 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Te 6.00 127.60000 Te( 1.00) Al 3.00 26.98150 Al( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 253 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 2) = ( 0.0000000 0.0000000 0.0229886), wk = 0.0039526 k( 3) = ( 0.0000000 0.0000000 0.0459771), wk = 0.0039526 k( 4) = ( 0.0000000 0.0000000 0.0689657), wk = 0.0039526 k( 5) = ( 0.0000000 0.0000000 0.0919543), wk = 0.0039526 k( 6) = ( 0.0000000 0.0000000 0.1149429), wk = 0.0039526 k( 7) = ( 0.0000000 0.0000000 0.1379314), wk = 0.0039526 k( 8) = ( 0.0000000 0.0000000 0.1609200), wk = 0.0039526 k( 9) = ( 0.0000000 0.0000000 0.1839086), wk = 0.0039526 k( 10) = ( 0.0000000 0.0000000 0.2068971), wk = 0.0039526 k( 11) = ( 0.0000000 0.0000000 0.2298857), wk = 0.0039526 k( 12) = ( 0.0000000 0.0000000 0.2528743), wk = 0.0039526 k( 13) = ( 0.0000000 0.0000000 0.2758629), wk = 0.0039526 k( 14) = ( 0.0000000 0.0000000 0.2988514), wk = 0.0039526 k( 15) = ( 0.0000000 0.0000000 0.3218400), wk = 0.0039526 k( 16) = ( 0.0000000 0.0000000 0.3448286), wk = 0.0039526 k( 17) = ( 0.0000000 0.0000000 0.3678171), wk = 0.0039526 k( 18) = ( 0.0000000 0.0000000 0.3908057), wk = 0.0039526 k( 19) = ( 0.0000000 0.0000000 0.4137943), wk = 0.0039526 k( 20) = ( 0.0000000 0.0000000 0.4367829), wk = 0.0039526 k( 21) = ( 0.0000000 0.0000000 0.4597714), wk = 0.0039526 k( 22) = ( 0.0000000 0.0000000 0.4827600), wk = 0.0039526 k( 23) = ( 0.0000000 0.0000000 0.5057486), wk = 0.0039526 k( 24) = ( 0.0000000 0.0000000 0.5287371), wk = 0.0039526 k( 25) = ( 0.0000000 0.0000000 0.5517257), wk = 0.0039526 k( 26) = ( 0.0000000 0.0000000 0.5747143), wk = 0.0039526 k( 27) = ( 0.0000000 0.0000000 0.5977029), wk = 0.0039526 k( 28) = ( 0.0000000 0.0000000 0.6206914), wk = 0.0039526 k( 29) = ( 0.0000000 0.0000000 0.6436800), wk = 0.0039526 k( 30) = ( 0.0000000 0.0000000 0.6666686), wk = 0.0039526 k( 31) = ( 0.0000000 0.0000000 0.6896572), wk = 0.0039526 k( 32) = ( 0.0000000 0.0000000 0.7126457), wk = 0.0039526 k( 33) = ( 0.0000000 0.0000000 0.7356343), wk = 0.0039526 k( 34) = ( 0.0000000 0.0000000 0.7586229), wk = 0.0039526 k( 35) = ( 0.0000000 0.0000000 0.7816114), wk = 0.0039526 k( 36) = ( 0.0000000 0.0000000 0.8046000), wk = 0.0039526 k( 37) = ( 0.0000000 0.0000000 0.8275886), wk = 0.0039526 k( 38) = ( 0.0000000 0.0000000 0.8275886), wk = 0.0039526 k( 39) = ( -0.0130646 0.0172314 0.8275886), wk = 0.0039526 k( 40) = ( -0.0261291 0.0344629 0.8275886), wk = 0.0039526 k( 41) = ( -0.0391937 0.0516943 0.8275886), wk = 0.0039526 k( 42) = ( -0.0522583 0.0689257 0.8275886), wk = 0.0039526 k( 43) = ( -0.0653228 0.0861571 0.8275886), wk = 0.0039526 k( 44) = ( -0.0783874 0.1033886 0.8275886), wk = 0.0039526 k( 45) = ( -0.0914520 0.1206200 0.8275886), wk = 0.0039526 k( 46) = ( -0.1045165 0.1378514 0.8275886), wk = 0.0039526 k( 47) = ( -0.1175811 0.1550828 0.8275886), wk = 0.0039526 k( 48) = ( -0.1306457 0.1723142 0.8275886), wk = 0.0039526 k( 49) = ( -0.1437103 0.1895457 0.8275886), wk = 0.0039526 k( 50) = ( -0.1437103 0.1895457 0.8275886), wk = 0.0039526 k( 51) = ( -0.1536072 0.2025992 0.8112074), wk = 0.0039526 k( 52) = ( -0.1635041 0.2156527 0.7948262), wk = 0.0039526 k( 53) = ( -0.1734011 0.2287062 0.7784450), wk = 0.0039526 k( 54) = ( -0.1832980 0.2417597 0.7620639), wk = 0.0039526 k( 55) = ( -0.1931949 0.2548132 0.7456827), wk = 0.0039526 k( 56) = ( -0.2030919 0.2678667 0.7293015), wk = 0.0039526 k( 57) = ( -0.2129888 0.2809202 0.7129203), wk = 0.0039526 k( 58) = ( -0.2228857 0.2939737 0.6965391), wk = 0.0039526 k( 59) = ( -0.2327827 0.3070272 0.6801579), wk = 0.0039526 k( 60) = ( -0.2426796 0.3200807 0.6637767), wk = 0.0039526 k( 61) = ( -0.2525766 0.3331342 0.6473956), wk = 0.0039526 k( 62) = ( -0.2624735 0.3461877 0.6310144), wk = 0.0039526 k( 63) = ( -0.2723704 0.3592412 0.6146332), wk = 0.0039526 k( 64) = ( -0.2822674 0.3722947 0.5982520), wk = 0.0039526 k( 65) = ( -0.2921643 0.3853482 0.5818708), wk = 0.0039526 k( 66) = ( -0.3020613 0.3984017 0.5654896), wk = 0.0039526 k( 67) = ( -0.3119582 0.4114552 0.5491084), wk = 0.0039526 k( 68) = ( -0.3218551 0.4245087 0.5327273), wk = 0.0039526 k( 69) = ( -0.3218551 0.4245087 0.5327273), wk = 0.0039526 k( 70) = ( -0.3121019 0.4116448 0.5165840), wk = 0.0039526 k( 71) = ( -0.3023487 0.3987809 0.5004408), wk = 0.0039526 k( 72) = ( -0.2925956 0.3859170 0.4842975), wk = 0.0039526 k( 73) = ( -0.2828424 0.3730531 0.4681543), wk = 0.0039526 k( 74) = ( -0.2730892 0.3601892 0.4520110), wk = 0.0039526 k( 75) = ( -0.2633360 0.3473253 0.4358678), wk = 0.0039526 k( 76) = ( -0.2535828 0.3344614 0.4197245), wk = 0.0039526 k( 77) = ( -0.2438296 0.3215975 0.4035813), wk = 0.0039526 k( 78) = ( -0.2340764 0.3087336 0.3874380), wk = 0.0039526 k( 79) = ( -0.2243233 0.2958697 0.3712948), wk = 0.0039526 k( 80) = ( -0.2145701 0.2830058 0.3551515), wk = 0.0039526 k( 81) = ( -0.2048169 0.2701419 0.3390083), wk = 0.0039526 k( 82) = ( -0.1950637 0.2572780 0.3228650), wk = 0.0039526 k( 83) = ( -0.1853105 0.2444141 0.3067218), wk = 0.0039526 k( 84) = ( -0.1755573 0.2315502 0.2905785), wk = 0.0039526 k( 85) = ( -0.1658042 0.2186863 0.2744352), wk = 0.0039526 k( 86) = ( -0.1560510 0.2058224 0.2582920), wk = 0.0039526 k( 87) = ( -0.1462978 0.1929585 0.2421487), wk = 0.0039526 k( 88) = ( -0.1365446 0.1800946 0.2260055), wk = 0.0039526 k( 89) = ( -0.1267914 0.1672307 0.2098622), wk = 0.0039526 k( 90) = ( -0.1170382 0.1543668 0.1937190), wk = 0.0039526 k( 91) = ( -0.1072850 0.1415029 0.1775758), wk = 0.0039526 k( 92) = ( -0.0975319 0.1286390 0.1614325), wk = 0.0039526 k( 93) = ( -0.0877787 0.1157751 0.1452893), wk = 0.0039526 k( 94) = ( -0.0780255 0.1029112 0.1291460), wk = 0.0039526 k( 95) = ( -0.0682723 0.0900473 0.1130028), wk = 0.0039526 k( 96) = ( -0.0585191 0.0771834 0.0968595), wk = 0.0039526 k( 97) = ( -0.0487659 0.0643195 0.0807163), wk = 0.0039526 k( 98) = ( -0.0390127 0.0514556 0.0645730), wk = 0.0039526 k( 99) = ( -0.0292596 0.0385917 0.0484298), wk = 0.0039526 k( 100) = ( -0.0195064 0.0257278 0.0322865), wk = 0.0039526 k( 101) = ( -0.0097532 0.0128639 0.0161433), wk = 0.0039526 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 104) = ( 0.0185185 0.0140404 0.0000000), wk = 0.0039526 k( 105) = ( 0.0370370 0.0280808 0.0000000), wk = 0.0039526 k( 106) = ( 0.0555556 0.0421213 0.0000000), wk = 0.0039526 k( 107) = ( 0.0740741 0.0561617 0.0000000), wk = 0.0039526 k( 108) = ( 0.0925926 0.0702021 0.0000000), wk = 0.0039526 k( 109) = ( 0.1111111 0.0842425 0.0000000), wk = 0.0039526 k( 110) = ( 0.1296296 0.0982829 0.0000000), wk = 0.0039526 k( 111) = ( 0.1481482 0.1123234 0.0000000), wk = 0.0039526 k( 112) = ( 0.1666667 0.1263638 0.0000000), wk = 0.0039526 k( 113) = ( 0.1851852 0.1404042 0.0000000), wk = 0.0039526 k( 114) = ( 0.2037037 0.1544446 0.0000000), wk = 0.0039526 k( 115) = ( 0.2222222 0.1684850 0.0000000), wk = 0.0039526 k( 116) = ( 0.2407407 0.1825255 0.0000000), wk = 0.0039526 k( 117) = ( 0.2592593 0.1965659 0.0000000), wk = 0.0039526 k( 118) = ( 0.2777778 0.2106063 0.0000000), wk = 0.0039526 k( 119) = ( 0.2962963 0.2246467 0.0000000), wk = 0.0039526 k( 120) = ( 0.3148148 0.2386871 0.0000000), wk = 0.0039526 k( 121) = ( 0.3333333 0.2527276 0.0000000), wk = 0.0039526 k( 122) = ( 0.3518519 0.2667680 0.0000000), wk = 0.0039526 k( 123) = ( 0.3703704 0.2808084 0.0000000), wk = 0.0039526 k( 124) = ( 0.3888889 0.2948488 0.0000000), wk = 0.0039526 k( 125) = ( 0.4074074 0.3088892 0.0000000), wk = 0.0039526 k( 126) = ( 0.4259259 0.3229297 0.0000000), wk = 0.0039526 k( 127) = ( 0.4444444 0.3369701 0.0000000), wk = 0.0039526 k( 128) = ( 0.4629630 0.3510105 0.0000000), wk = 0.0039526 k( 129) = ( 0.4814815 0.3650509 0.0000000), wk = 0.0039526 k( 130) = ( 0.5000000 0.3790913 0.0000000), wk = 0.0039526 k( 131) = ( 0.5000000 0.3790913 0.0000000), wk = 0.0039526 k( 132) = ( 0.4901031 0.3921448 0.0163812), wk = 0.0039526 k( 133) = ( 0.4802061 0.4051984 0.0327624), wk = 0.0039526 k( 134) = ( 0.4703092 0.4182518 0.0491436), wk = 0.0039526 k( 135) = ( 0.4604123 0.4313053 0.0655247), wk = 0.0039526 k( 136) = ( 0.4505153 0.4443588 0.0819059), wk = 0.0039526 k( 137) = ( 0.4406184 0.4574123 0.0982871), wk = 0.0039526 k( 138) = ( 0.4307214 0.4704658 0.1146683), wk = 0.0039526 k( 139) = ( 0.4208245 0.4835193 0.1310495), wk = 0.0039526 k( 140) = ( 0.4109276 0.4965728 0.1474307), wk = 0.0039526 k( 141) = ( 0.4010306 0.5096263 0.1638119), wk = 0.0039526 k( 142) = ( 0.3911337 0.5226798 0.1801930), wk = 0.0039526 k( 143) = ( 0.3812368 0.5357333 0.1965742), wk = 0.0039526 k( 144) = ( 0.3713398 0.5487868 0.2129554), wk = 0.0039526 k( 145) = ( 0.3614429 0.5618403 0.2293366), wk = 0.0039526 k( 146) = ( 0.3515459 0.5748938 0.2457178), wk = 0.0039526 k( 147) = ( 0.3416490 0.5879473 0.2620990), wk = 0.0039526 k( 148) = ( 0.3317521 0.6010008 0.2784802), wk = 0.0039526 k( 149) = ( 0.3218551 0.6140543 0.2948613), wk = 0.0039526 k( 150) = ( 0.3218551 0.6140543 0.2948613), wk = 0.0039526 k( 151) = ( 0.3017392 0.6081310 0.3022946), wk = 0.0039526 k( 152) = ( 0.2816232 0.6022077 0.3097280), wk = 0.0039526 k( 153) = ( 0.2615073 0.5962844 0.3171613), wk = 0.0039526 k( 154) = ( 0.2413913 0.5903611 0.3245946), wk = 0.0039526 k( 155) = ( 0.2212754 0.5844378 0.3320279), wk = 0.0039526 k( 156) = ( 0.2011594 0.5785145 0.3394612), wk = 0.0039526 k( 157) = ( 0.1810435 0.5725912 0.3468945), wk = 0.0039526 k( 158) = ( 0.1609276 0.5666679 0.3543278), wk = 0.0039526 k( 159) = ( 0.1408116 0.5607446 0.3617611), wk = 0.0039526 k( 160) = ( 0.1206957 0.5548213 0.3691944), wk = 0.0039526 k( 161) = ( 0.1005797 0.5488980 0.3766277), wk = 0.0039526 k( 162) = ( 0.0804638 0.5429747 0.3840611), wk = 0.0039526 k( 163) = ( 0.0603478 0.5370514 0.3914944), wk = 0.0039526 k( 164) = ( 0.0402319 0.5311281 0.3989277), wk = 0.0039526 k( 165) = ( 0.0201160 0.5252048 0.4063610), wk = 0.0039526 k( 166) = ( 0.0000000 0.5192815 0.4137943), wk = 0.0039526 k( 167) = ( 0.0000000 0.5192815 0.4137943), wk = 0.0039526 k( 168) = ( 0.0096154 0.5065994 0.4297095), wk = 0.0039526 k( 169) = ( 0.0192308 0.4939172 0.4456246), wk = 0.0039526 k( 170) = ( 0.0288462 0.4812351 0.4615398), wk = 0.0039526 k( 171) = ( 0.0384615 0.4685529 0.4774550), wk = 0.0039526 k( 172) = ( 0.0480769 0.4558708 0.4933701), wk = 0.0039526 k( 173) = ( 0.0576923 0.4431886 0.5092853), wk = 0.0039526 k( 174) = ( 0.0673077 0.4305065 0.5252004), wk = 0.0039526 k( 175) = ( 0.0769231 0.4178243 0.5411156), wk = 0.0039526 k( 176) = ( 0.0865385 0.4051422 0.5570308), wk = 0.0039526 k( 177) = ( 0.0961538 0.3924600 0.5729460), wk = 0.0039526 k( 178) = ( 0.1057692 0.3797779 0.5888611), wk = 0.0039526 k( 179) = ( 0.1153846 0.3670957 0.6047763), wk = 0.0039526 k( 180) = ( 0.1250000 0.3544136 0.6206914), wk = 0.0039526 k( 181) = ( 0.1346154 0.3417314 0.6366066), wk = 0.0039526 k( 182) = ( 0.1442308 0.3290493 0.6525218), wk = 0.0039526 k( 183) = ( 0.1538461 0.3163672 0.6684369), wk = 0.0039526 k( 184) = ( 0.1634615 0.3036850 0.6843521), wk = 0.0039526 k( 185) = ( 0.1730769 0.2910029 0.7002673), wk = 0.0039526 k( 186) = ( 0.1826923 0.2783207 0.7161824), wk = 0.0039526 k( 187) = ( 0.1923077 0.2656386 0.7320976), wk = 0.0039526 k( 188) = ( 0.2019231 0.2529564 0.7480128), wk = 0.0039526 k( 189) = ( 0.2115385 0.2402743 0.7639279), wk = 0.0039526 k( 190) = ( 0.2211539 0.2275921 0.7798431), wk = 0.0039526 k( 191) = ( 0.2307692 0.2149100 0.7957583), wk = 0.0039526 k( 192) = ( 0.2403846 0.2022278 0.8116734), wk = 0.0039526 k( 193) = ( 0.2500000 0.1895457 0.8275886), wk = 0.0039526 k( 194) = ( 0.2500000 0.1895457 0.8275886), wk = 0.0039526 k( 195) = ( 0.2647059 0.2006954 0.8135965), wk = 0.0039526 k( 196) = ( 0.2794118 0.2118452 0.7996044), wk = 0.0039526 k( 197) = ( 0.2941177 0.2229949 0.7856123), wk = 0.0039526 k( 198) = ( 0.3088235 0.2341447 0.7716201), wk = 0.0039526 k( 199) = ( 0.3235294 0.2452944 0.7576280), wk = 0.0039526 k( 200) = ( 0.3382353 0.2564441 0.7436359), wk = 0.0039526 k( 201) = ( 0.3529412 0.2675939 0.7296438), wk = 0.0039526 k( 202) = ( 0.3676471 0.2787436 0.7156517), wk = 0.0039526 k( 203) = ( 0.3823529 0.2898934 0.7016596), wk = 0.0039526 k( 204) = ( 0.3970588 0.3010431 0.6876675), wk = 0.0039526 k( 205) = ( 0.4117647 0.3121929 0.6736754), wk = 0.0039526 k( 206) = ( 0.4264706 0.3233426 0.6596832), wk = 0.0039526 k( 207) = ( 0.4411765 0.3344924 0.6456911), wk = 0.0039526 k( 208) = ( 0.4558823 0.3456421 0.6316990), wk = 0.0039526 k( 209) = ( 0.4705882 0.3567919 0.6177069), wk = 0.0039526 k( 210) = ( 0.4852941 0.3679416 0.6037148), wk = 0.0039526 k( 211) = ( 0.5000000 0.3790913 0.5897227), wk = 0.0039526 k( 212) = ( 0.5000000 0.3790913 0.5897227), wk = 0.0039526 k( 213) = ( 0.5000000 0.3790913 0.5670410), wk = 0.0039526 k( 214) = ( 0.5000000 0.3790913 0.5443594), wk = 0.0039526 k( 215) = ( 0.5000000 0.3790913 0.5216778), wk = 0.0039526 k( 216) = ( 0.5000000 0.3790913 0.4989961), wk = 0.0039526 k( 217) = ( 0.5000000 0.3790913 0.4763145), wk = 0.0039526 k( 218) = ( 0.5000000 0.3790913 0.4536328), wk = 0.0039526 k( 219) = ( 0.5000000 0.3790913 0.4309512), wk = 0.0039526 k( 220) = ( 0.5000000 0.3790913 0.4082695), wk = 0.0039526 k( 221) = ( 0.5000000 0.3790913 0.3855879), wk = 0.0039526 k( 222) = ( 0.5000000 0.3790913 0.3629063), wk = 0.0039526 k( 223) = ( 0.5000000 0.3790913 0.3402246), wk = 0.0039526 k( 224) = ( 0.5000000 0.3790913 0.3175430), wk = 0.0039526 k( 225) = ( 0.5000000 0.3790913 0.2948613), wk = 0.0039526 k( 226) = ( 0.5000000 0.3790913 0.2721797), wk = 0.0039526 k( 227) = ( 0.5000000 0.3790913 0.2494980), wk = 0.0039526 k( 228) = ( 0.5000000 0.3790913 0.2268164), wk = 0.0039526 k( 229) = ( 0.5000000 0.3790913 0.2041348), wk = 0.0039526 k( 230) = ( 0.5000000 0.3790913 0.1814531), wk = 0.0039526 k( 231) = ( 0.5000000 0.3790913 0.1587715), wk = 0.0039526 k( 232) = ( 0.5000000 0.3790913 0.1360898), wk = 0.0039526 k( 233) = ( 0.5000000 0.3790913 0.1134082), wk = 0.0039526 k( 234) = ( 0.5000000 0.3790913 0.0907266), wk = 0.0039526 k( 235) = ( 0.5000000 0.3790913 0.0680449), wk = 0.0039526 k( 236) = ( 0.5000000 0.3790913 0.0453633), wk = 0.0039526 k( 237) = ( 0.5000000 0.3790913 0.0226816), wk = 0.0039526 k( 238) = ( 0.5000000 0.3790913 0.0000000), wk = 0.0039526 k( 239) = ( 0.0000000 0.0000000 0.8275886), wk = 0.0039526 k( 240) = ( 0.0178571 0.0135390 0.8275886), wk = 0.0039526 k( 241) = ( 0.0357143 0.0270780 0.8275886), wk = 0.0039526 k( 242) = ( 0.0535714 0.0406169 0.8275886), wk = 0.0039526 k( 243) = ( 0.0714286 0.0541559 0.8275886), wk = 0.0039526 k( 244) = ( 0.0892857 0.0676949 0.8275886), wk = 0.0039526 k( 245) = ( 0.1071429 0.0812339 0.8275886), wk = 0.0039526 k( 246) = ( 0.1250000 0.0947728 0.8275886), wk = 0.0039526 k( 247) = ( 0.1428571 0.1083118 0.8275886), wk = 0.0039526 k( 248) = ( 0.1607143 0.1218508 0.8275886), wk = 0.0039526 k( 249) = ( 0.1785714 0.1353898 0.8275886), wk = 0.0039526 k( 250) = ( 0.1964286 0.1489287 0.8275886), wk = 0.0039526 k( 251) = ( 0.2142857 0.1624677 0.8275886), wk = 0.0039526 k( 252) = ( 0.2321429 0.1760067 0.8275886), wk = 0.0039526 k( 253) = ( 0.2500000 0.1895457 0.8275886), wk = 0.0039526 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 2) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0039526 k( 3) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0039526 k( 4) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0039526 k( 5) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0039526 k( 6) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0039526 k( 7) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0039526 k( 8) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0039526 k( 9) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0039526 k( 10) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0039526 k( 11) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0039526 k( 12) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0039526 k( 13) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0039526 k( 14) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0039526 k( 15) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0039526 k( 16) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0039526 k( 17) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0039526 k( 18) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0039526 k( 19) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0039526 k( 20) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0039526 k( 21) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0039526 k( 22) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0039526 k( 23) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0039526 k( 24) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0039526 k( 25) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0039526 k( 26) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0039526 k( 27) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0039526 k( 28) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0039526 k( 29) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0039526 k( 30) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0039526 k( 31) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0039526 k( 32) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0039526 k( 33) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0039526 k( 34) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0039526 k( 35) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0039526 k( 36) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0039526 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039526 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039526 k( 39) = ( -0.0130646 0.0130646 0.5000000), wk = 0.0039526 k( 40) = ( -0.0261291 0.0261291 0.5000000), wk = 0.0039526 k( 41) = ( -0.0391937 0.0391937 0.5000000), wk = 0.0039526 k( 42) = ( -0.0522583 0.0522583 0.5000000), wk = 0.0039526 k( 43) = ( -0.0653228 0.0653228 0.5000000), wk = 0.0039526 k( 44) = ( -0.0783874 0.0783874 0.5000000), wk = 0.0039526 k( 45) = ( -0.0914520 0.0914520 0.5000000), wk = 0.0039526 k( 46) = ( -0.1045165 0.1045165 0.5000000), wk = 0.0039526 k( 47) = ( -0.1175811 0.1175811 0.5000000), wk = 0.0039526 k( 48) = ( -0.1306457 0.1306457 0.5000000), wk = 0.0039526 k( 49) = ( -0.1437103 0.1437102 0.5000000), wk = 0.0039526 k( 50) = ( -0.1437103 0.1437102 0.5000000), wk = 0.0039526 k( 51) = ( -0.1536072 0.1536072 0.4901031), wk = 0.0039526 k( 52) = ( -0.1635041 0.1635041 0.4802061), wk = 0.0039526 k( 53) = ( -0.1734011 0.1734011 0.4703092), wk = 0.0039526 k( 54) = ( -0.1832980 0.1832980 0.4604123), wk = 0.0039526 k( 55) = ( -0.1931949 0.1931949 0.4505153), wk = 0.0039526 k( 56) = ( -0.2030919 0.2030919 0.4406184), wk = 0.0039526 k( 57) = ( -0.2129888 0.2129888 0.4307214), wk = 0.0039526 k( 58) = ( -0.2228857 0.2228857 0.4208245), wk = 0.0039526 k( 59) = ( -0.2327827 0.2327827 0.4109276), wk = 0.0039526 k( 60) = ( -0.2426796 0.2426796 0.4010306), wk = 0.0039526 k( 61) = ( -0.2525766 0.2525766 0.3911337), wk = 0.0039526 k( 62) = ( -0.2624735 0.2624735 0.3812367), wk = 0.0039526 k( 63) = ( -0.2723704 0.2723704 0.3713398), wk = 0.0039526 k( 64) = ( -0.2822674 0.2822674 0.3614429), wk = 0.0039526 k( 65) = ( -0.2921643 0.2921643 0.3515459), wk = 0.0039526 k( 66) = ( -0.3020613 0.3020612 0.3416490), wk = 0.0039526 k( 67) = ( -0.3119582 0.3119582 0.3317521), wk = 0.0039526 k( 68) = ( -0.3218551 0.3218551 0.3218551), wk = 0.0039526 k( 69) = ( -0.3218551 0.3218551 0.3218551), wk = 0.0039526 k( 70) = ( -0.3121019 0.3121019 0.3121019), wk = 0.0039526 k( 71) = ( -0.3023487 0.3023487 0.3023487), wk = 0.0039526 k( 72) = ( -0.2925956 0.2925956 0.2925956), wk = 0.0039526 k( 73) = ( -0.2828424 0.2828424 0.2828424), wk = 0.0039526 k( 74) = ( -0.2730892 0.2730892 0.2730892), wk = 0.0039526 k( 75) = ( -0.2633360 0.2633360 0.2633360), wk = 0.0039526 k( 76) = ( -0.2535828 0.2535828 0.2535828), wk = 0.0039526 k( 77) = ( -0.2438296 0.2438296 0.2438296), wk = 0.0039526 k( 78) = ( -0.2340764 0.2340764 0.2340764), wk = 0.0039526 k( 79) = ( -0.2243233 0.2243233 0.2243233), wk = 0.0039526 k( 80) = ( -0.2145701 0.2145701 0.2145701), wk = 0.0039526 k( 81) = ( -0.2048169 0.2048169 0.2048169), wk = 0.0039526 k( 82) = ( -0.1950637 0.1950637 0.1950637), wk = 0.0039526 k( 83) = ( -0.1853105 0.1853105 0.1853105), wk = 0.0039526 k( 84) = ( -0.1755573 0.1755573 0.1755573), wk = 0.0039526 k( 85) = ( -0.1658042 0.1658041 0.1658042), wk = 0.0039526 k( 86) = ( -0.1560510 0.1560510 0.1560510), wk = 0.0039526 k( 87) = ( -0.1462978 0.1462978 0.1462978), wk = 0.0039526 k( 88) = ( -0.1365446 0.1365446 0.1365446), wk = 0.0039526 k( 89) = ( -0.1267914 0.1267914 0.1267914), wk = 0.0039526 k( 90) = ( -0.1170382 0.1170382 0.1170382), wk = 0.0039526 k( 91) = ( -0.1072850 0.1072850 0.1072850), wk = 0.0039526 k( 92) = ( -0.0975319 0.0975319 0.0975319), wk = 0.0039526 k( 93) = ( -0.0877787 0.0877787 0.0877787), wk = 0.0039526 k( 94) = ( -0.0780255 0.0780255 0.0780255), wk = 0.0039526 k( 95) = ( -0.0682723 0.0682723 0.0682723), wk = 0.0039526 k( 96) = ( -0.0585191 0.0585191 0.0585191), wk = 0.0039526 k( 97) = ( -0.0487659 0.0487659 0.0487659), wk = 0.0039526 k( 98) = ( -0.0390127 0.0390127 0.0390127), wk = 0.0039526 k( 99) = ( -0.0292596 0.0292596 0.0292596), wk = 0.0039526 k( 100) = ( -0.0195064 0.0195064 0.0195064), wk = 0.0039526 k( 101) = ( -0.0097532 0.0097532 0.0097532), wk = 0.0039526 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 104) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0039526 k( 105) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0039526 k( 106) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0039526 k( 107) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0039526 k( 108) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0039526 k( 109) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0039526 k( 110) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0039526 k( 111) = ( 0.1481482 0.1481481 -0.1481481), wk = 0.0039526 k( 112) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0039526 k( 113) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0039526 k( 114) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0039526 k( 115) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0039526 k( 116) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0039526 k( 117) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0039526 k( 118) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0039526 k( 119) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0039526 k( 120) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0039526 k( 121) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0039526 k( 122) = ( 0.3518519 0.3518519 -0.3518518), wk = 0.0039526 k( 123) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0039526 k( 124) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0039526 k( 125) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0039526 k( 126) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0039526 k( 127) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0039526 k( 128) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0039526 k( 129) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0039526 k( 130) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039526 k( 131) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039526 k( 132) = ( 0.4901031 0.5098969 -0.4901031), wk = 0.0039526 k( 133) = ( 0.4802061 0.5197939 -0.4802061), wk = 0.0039526 k( 134) = ( 0.4703092 0.5296908 -0.4703092), wk = 0.0039526 k( 135) = ( 0.4604123 0.5395877 -0.4604122), wk = 0.0039526 k( 136) = ( 0.4505153 0.5494847 -0.4505153), wk = 0.0039526 k( 137) = ( 0.4406184 0.5593816 -0.4406184), wk = 0.0039526 k( 138) = ( 0.4307214 0.5692786 -0.4307214), wk = 0.0039526 k( 139) = ( 0.4208245 0.5791755 -0.4208245), wk = 0.0039526 k( 140) = ( 0.4109276 0.5890724 -0.4109276), wk = 0.0039526 k( 141) = ( 0.4010306 0.5989694 -0.4010306), wk = 0.0039526 k( 142) = ( 0.3911337 0.6088663 -0.3911337), wk = 0.0039526 k( 143) = ( 0.3812368 0.6187632 -0.3812367), wk = 0.0039526 k( 144) = ( 0.3713398 0.6286602 -0.3713398), wk = 0.0039526 k( 145) = ( 0.3614429 0.6385571 -0.3614429), wk = 0.0039526 k( 146) = ( 0.3515459 0.6484541 -0.3515459), wk = 0.0039526 k( 147) = ( 0.3416490 0.6583510 -0.3416490), wk = 0.0039526 k( 148) = ( 0.3317521 0.6682479 -0.3317521), wk = 0.0039526 k( 149) = ( 0.3218551 0.6781449 -0.3218551), wk = 0.0039526 k( 150) = ( 0.3218551 0.6781449 -0.3218551), wk = 0.0039526 k( 151) = ( 0.3017392 0.6670108 -0.3017392), wk = 0.0039526 k( 152) = ( 0.2816232 0.6558768 -0.2816232), wk = 0.0039526 k( 153) = ( 0.2615073 0.6447427 -0.2615073), wk = 0.0039526 k( 154) = ( 0.2413913 0.6336087 -0.2413913), wk = 0.0039526 k( 155) = ( 0.2212754 0.6224746 -0.2212754), wk = 0.0039526 k( 156) = ( 0.2011594 0.6113405 -0.2011595), wk = 0.0039526 k( 157) = ( 0.1810435 0.6002065 -0.1810435), wk = 0.0039526 k( 158) = ( 0.1609276 0.5890724 -0.1609276), wk = 0.0039526 k( 159) = ( 0.1408116 0.5779384 -0.1408116), wk = 0.0039526 k( 160) = ( 0.1206957 0.5668043 -0.1206957), wk = 0.0039526 k( 161) = ( 0.1005797 0.5556703 -0.1005797), wk = 0.0039526 k( 162) = ( 0.0804638 0.5445362 -0.0804638), wk = 0.0039526 k( 163) = ( 0.0603478 0.5334022 -0.0603478), wk = 0.0039526 k( 164) = ( 0.0402319 0.5222681 -0.0402319), wk = 0.0039526 k( 165) = ( 0.0201160 0.5111341 -0.0201159), wk = 0.0039526 k( 166) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039526 k( 167) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039526 k( 168) = ( 0.0096154 0.4903846 0.0096154), wk = 0.0039526 k( 169) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0039526 k( 170) = ( 0.0288462 0.4711538 0.0288462), wk = 0.0039526 k( 171) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0039526 k( 172) = ( 0.0480769 0.4519231 0.0480769), wk = 0.0039526 k( 173) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0039526 k( 174) = ( 0.0673077 0.4326923 0.0673077), wk = 0.0039526 k( 175) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0039526 k( 176) = ( 0.0865385 0.4134615 0.0865385), wk = 0.0039526 k( 177) = ( 0.0961538 0.4038461 0.0961538), wk = 0.0039526 k( 178) = ( 0.1057692 0.3942308 0.1057692), wk = 0.0039526 k( 179) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0039526 k( 180) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0039526 k( 181) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0039526 k( 182) = ( 0.1442308 0.3557692 0.1442308), wk = 0.0039526 k( 183) = ( 0.1538461 0.3461538 0.1538462), wk = 0.0039526 k( 184) = ( 0.1634615 0.3365385 0.1634615), wk = 0.0039526 k( 185) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0039526 k( 186) = ( 0.1826923 0.3173077 0.1826923), wk = 0.0039526 k( 187) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0039526 k( 188) = ( 0.2019231 0.2980769 0.2019231), wk = 0.0039526 k( 189) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0039526 k( 190) = ( 0.2211539 0.2788462 0.2211539), wk = 0.0039526 k( 191) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0039526 k( 192) = ( 0.2403846 0.2596154 0.2403846), wk = 0.0039526 k( 193) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039526 k( 194) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039526 k( 195) = ( 0.2647059 0.2647059 0.2268406), wk = 0.0039526 k( 196) = ( 0.2794118 0.2794118 0.2036812), wk = 0.0039526 k( 197) = ( 0.2941177 0.2941177 0.1805217), wk = 0.0039526 k( 198) = ( 0.3088235 0.3088235 0.1573623), wk = 0.0039526 k( 199) = ( 0.3235294 0.3235294 0.1342029), wk = 0.0039526 k( 200) = ( 0.3382353 0.3382353 0.1110434), wk = 0.0039526 k( 201) = ( 0.3529412 0.3529412 0.0878840), wk = 0.0039526 k( 202) = ( 0.3676471 0.3676471 0.0647246), wk = 0.0039526 k( 203) = ( 0.3823529 0.3823529 0.0415652), wk = 0.0039526 k( 204) = ( 0.3970588 0.3970588 0.0184057), wk = 0.0039526 k( 205) = ( 0.4117647 0.4117647 -0.0047537), wk = 0.0039526 k( 206) = ( 0.4264706 0.4264706 -0.0279131), wk = 0.0039526 k( 207) = ( 0.4411765 0.4411765 -0.0510725), wk = 0.0039526 k( 208) = ( 0.4558823 0.4558823 -0.0742320), wk = 0.0039526 k( 209) = ( 0.4705882 0.4705882 -0.0973914), wk = 0.0039526 k( 210) = ( 0.4852941 0.4852941 -0.1205508), wk = 0.0039526 k( 211) = ( 0.5000000 0.5000000 -0.1437102), wk = 0.0039526 k( 212) = ( 0.5000000 0.5000000 -0.1437102), wk = 0.0039526 k( 213) = ( 0.5000000 0.5000000 -0.1574137), wk = 0.0039526 k( 214) = ( 0.5000000 0.5000000 -0.1711171), wk = 0.0039526 k( 215) = ( 0.5000000 0.5000000 -0.1848206), wk = 0.0039526 k( 216) = ( 0.5000000 0.5000000 -0.1985241), wk = 0.0039526 k( 217) = ( 0.5000000 0.5000000 -0.2122275), wk = 0.0039526 k( 218) = ( 0.5000000 0.5000000 -0.2259310), wk = 0.0039526 k( 219) = ( 0.5000000 0.5000000 -0.2396344), wk = 0.0039526 k( 220) = ( 0.5000000 0.5000000 -0.2533379), wk = 0.0039526 k( 221) = ( 0.5000000 0.5000000 -0.2670413), wk = 0.0039526 k( 222) = ( 0.5000000 0.5000000 -0.2807448), wk = 0.0039526 k( 223) = ( 0.5000000 0.5000000 -0.2944482), wk = 0.0039526 k( 224) = ( 0.5000000 0.5000000 -0.3081517), wk = 0.0039526 k( 225) = ( 0.5000000 0.5000000 -0.3218551), wk = 0.0039526 k( 226) = ( 0.5000000 0.5000000 -0.3355586), wk = 0.0039526 k( 227) = ( 0.5000000 0.5000000 -0.3492620), wk = 0.0039526 k( 228) = ( 0.5000000 0.5000000 -0.3629655), wk = 0.0039526 k( 229) = ( 0.5000000 0.5000000 -0.3766689), wk = 0.0039526 k( 230) = ( 0.5000000 0.5000000 -0.3903724), wk = 0.0039526 k( 231) = ( 0.5000000 0.5000000 -0.4040758), wk = 0.0039526 k( 232) = ( 0.5000000 0.5000000 -0.4177793), wk = 0.0039526 k( 233) = ( 0.5000000 0.5000000 -0.4314827), wk = 0.0039526 k( 234) = ( 0.5000000 0.5000000 -0.4451862), wk = 0.0039526 k( 235) = ( 0.5000000 0.5000000 -0.4588896), wk = 0.0039526 k( 236) = ( 0.5000000 0.5000000 -0.4725931), wk = 0.0039526 k( 237) = ( 0.5000000 0.5000000 -0.4862965), wk = 0.0039526 k( 238) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039526 k( 239) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039526 k( 240) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0039526 k( 241) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0039526 k( 242) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0039526 k( 243) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0039526 k( 244) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0039526 k( 245) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0039526 k( 246) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0039526 k( 247) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0039526 k( 248) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0039526 k( 249) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0039526 k( 250) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0039526 k( 251) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0039526 k( 252) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0039526 k( 253) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039526 Dense grid: 215355 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.78 Mb ( 1156, 44) NL pseudopotentials 1.41 Mb ( 578, 160) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.03 Mb ( 4489) G-vector shells 0.02 Mb ( 2032) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.10 Mb ( 1156, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.21 Mb ( 160, 2, 44) The potential is recalculated from file : ./LiAlTe2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.7 secs Computing kpt #: 2 total cpu time spent up to now is 51.4 secs Computing kpt #: 3 total cpu time spent up to now is 56.1 secs Computing kpt #: 4 total cpu time spent up to now is 60.7 secs Computing kpt #: 5 total cpu time spent up to now is 65.2 secs Computing kpt #: 6 total cpu time spent up to now is 69.8 secs Computing kpt #: 7 total cpu time spent up to now is 74.7 secs Computing kpt #: 8 total cpu time spent up to now is 79.2 secs Computing kpt #: 9 total cpu time spent up to now is 83.9 secs Computing kpt #: 10 total cpu time spent up to now is 88.2 secs Computing kpt #: 11 total cpu time spent up to now is 93.8 secs Computing kpt #: 12 total cpu time spent up to now is 98.2 secs Computing kpt #: 13 total cpu time spent up to now is 103.6 secs Computing kpt #: 14 total cpu time spent up to now is 108.1 secs Computing kpt #: 15 total cpu time spent up to now is 112.6 secs Computing kpt #: 16 total cpu time spent up to now is 118.1 secs Computing kpt #: 17 total cpu time spent up to now is 122.6 secs Computing kpt #: 18 total cpu time spent up to now is 127.1 secs Computing kpt #: 19 total cpu time spent up to now is 131.6 secs Computing kpt #: 20 total cpu time spent up to now is 136.1 secs Computing kpt #: 21 total cpu time spent up to now is 141.4 secs Computing kpt #: 22 total cpu time spent up to now is 146.1 secs Computing kpt #: 23 total cpu time spent up to now is 150.8 secs Computing kpt #: 24 total cpu time spent up to now is 155.7 secs Computing kpt #: 25 total cpu time spent up to now is 160.4 secs Computing kpt #: 26 total cpu time spent up to now is 166.3 secs Computing kpt #: 27 total cpu time spent up to now is 171.8 secs Computing kpt #: 28 total cpu time spent up to now is 176.6 secs Computing kpt #: 29 total cpu time spent up to now is 182.1 secs Computing kpt #: 30 total cpu time spent up to now is 187.0 secs Computing kpt #: 31 total cpu time spent up to now is 192.6 secs Computing kpt #: 32 total cpu time spent up to now is 197.9 secs Computing kpt #: 33 total cpu time spent up to now is 202.5 secs Computing kpt #: 34 total cpu time spent up to now is 207.6 secs Computing kpt #: 35 total cpu time spent up to now is 212.1 secs Computing kpt #: 36 total cpu time spent up to now is 216.9 secs Computing kpt #: 37 total cpu time spent up to now is 222.0 secs Computing kpt #: 38 total cpu time spent up to now is 226.4 secs Computing kpt #: 39 total cpu time spent up to now is 231.4 secs Computing kpt #: 40 total cpu time spent up to now is 235.7 secs Computing kpt #: 41 total cpu time spent up to now is 240.1 secs Computing kpt #: 42 total cpu time spent up to now is 245.0 secs Computing kpt #: 43 total cpu time spent up to now is 249.4 secs Computing kpt #: 44 total cpu time spent up to now is 254.1 secs Computing kpt #: 45 total cpu time spent up to now is 258.8 secs Computing kpt #: 46 total cpu time spent up to now is 263.5 secs Computing kpt #: 47 total cpu time spent up to now is 268.8 secs Computing kpt #: 48 total cpu time spent up to now is 274.3 secs Computing kpt #: 49 total cpu time spent up to now is 278.9 secs Computing kpt #: 50 total cpu time spent up to now is 283.4 secs Computing kpt #: 51 total cpu time spent up to now is 288.3 secs Computing kpt #: 52 total cpu time spent up to now is 293.5 secs Computing kpt #: 53 total cpu time spent up to now is 298.6 secs Computing kpt #: 54 total cpu time spent up to now is 303.1 secs Computing kpt #: 55 total cpu time spent up to now is 307.5 secs Computing kpt #: 56 total cpu time spent up to now is 311.9 secs Computing kpt #: 57 total cpu time spent up to now is 316.9 secs Computing kpt #: 58 total cpu time spent up to now is 322.0 secs Computing kpt #: 59 total cpu time spent up to now is 326.7 secs Computing kpt #: 60 total cpu time spent up to now is 331.4 secs Computing kpt #: 61 total cpu time spent up to now is 335.7 secs Computing kpt #: 62 total cpu time spent up to now is 341.3 secs Computing kpt #: 63 total cpu time spent up to now is 347.1 secs Computing kpt #: 64 total cpu time spent up to now is 352.4 secs Computing kpt #: 65 total cpu time spent up to now is 356.7 secs Computing kpt #: 66 total cpu time spent up to now is 360.9 secs Computing kpt #: 67 total cpu time spent up to now is 365.4 secs Computing kpt #: 68 total cpu time spent up to now is 370.1 secs Computing kpt #: 69 total cpu time spent up to now is 374.2 secs Computing kpt #: 70 total cpu time spent up to now is 378.6 secs Computing kpt #: 71 total cpu time spent up to now is 383.0 secs Computing kpt #: 72 total cpu time spent up to now is 387.3 secs Computing kpt #: 73 total cpu time spent up to now is 392.1 secs Computing kpt #: 74 total cpu time spent up to now is 396.9 secs Computing kpt #: 75 total cpu time spent up to now is 401.4 secs Computing kpt #: 76 total cpu time spent up to now is 405.9 secs Computing kpt #: 77 total cpu time spent up to now is 410.4 secs Computing kpt #: 78 total cpu time spent up to now is 415.1 secs Computing kpt #: 79 total cpu time spent up to now is 420.4 secs Computing kpt #: 80 total cpu time spent up to now is 425.1 secs Computing kpt #: 81 total cpu time spent up to now is 429.1 secs Computing kpt #: 82 total cpu time spent up to now is 433.0 secs Computing kpt #: 83 total cpu time spent up to now is 437.2 secs Computing kpt #: 84 total cpu time spent up to now is 441.3 secs Computing kpt #: 85 total cpu time spent up to now is 445.3 secs Computing kpt #: 86 total cpu time spent up to now is 449.3 secs Computing kpt #: 87 total cpu time spent up to now is 453.1 secs Computing kpt #: 88 total cpu time spent up to now is 456.9 secs Computing kpt #: 89 total cpu time spent up to now is 461.8 secs Computing kpt #: 90 total cpu time spent up to now is 466.7 secs Computing kpt #: 91 total cpu time spent up to now is 471.7 secs Computing kpt #: 92 total cpu time spent up to now is 476.2 secs Computing kpt #: 93 total cpu time spent up to now is 480.8 secs Computing kpt #: 94 total cpu time spent up to now is 486.6 secs Computing kpt #: 95 total cpu time spent up to now is 491.1 secs Computing kpt #: 96 total cpu time spent up to now is 495.6 secs Computing kpt #: 97 total cpu time spent up to now is 500.0 secs Computing kpt #: 98 total cpu time spent up to now is 504.6 secs Computing kpt #: 99 total cpu time spent up to now is 509.5 secs Computing kpt #: 100 total cpu time spent up to now is 514.3 secs Computing kpt #: 101 total cpu time spent up to now is 518.8 secs Computing kpt #: 102 total cpu time spent up to now is 523.5 secs Computing kpt #: 103 total cpu time spent up to now is 528.1 secs Computing kpt #: 104 total cpu time spent up to now is 532.8 secs Computing kpt #: 105 total cpu time spent up to now is 537.4 secs Computing kpt #: 106 total cpu time spent up to now is 543.1 secs Computing kpt #: 107 total cpu time spent up to now is 547.9 secs Computing kpt #: 108 total cpu time spent up to now is 552.9 secs Computing kpt #: 109 total cpu time spent up to now is 557.7 secs Computing kpt #: 110 total cpu time spent up to now is 562.3 secs Computing kpt #: 111 total cpu time spent up to now is 566.8 secs Computing kpt #: 112 total cpu time spent up to now is 571.2 secs Computing kpt #: 113 total cpu time spent up to now is 575.8 secs Computing kpt #: 114 total cpu time spent up to now is 580.2 secs Computing kpt #: 115 total cpu time spent up to now is 584.6 secs Computing kpt #: 116 total cpu time spent up to now is 589.7 secs Computing kpt #: 117 total cpu time spent up to now is 594.5 secs Computing kpt #: 118 total cpu time spent up to now is 600.4 secs Computing kpt #: 119 total cpu time spent up to now is 605.1 secs Computing kpt #: 120 total cpu time spent up to now is 609.8 secs Computing kpt #: 121 total cpu time spent up to now is 614.2 secs Computing kpt #: 122 total cpu time spent up to now is 618.1 secs Computing kpt #: 123 total cpu time spent up to now is 621.8 secs Computing kpt #: 124 total cpu time spent up to now is 625.5 secs Computing kpt #: 125 total cpu time spent up to now is 629.1 secs Computing kpt #: 126 total cpu time spent up to now is 632.8 secs Computing kpt #: 127 total cpu time spent up to now is 636.6 secs Computing kpt #: 128 total cpu time spent up to now is 641.2 secs Computing kpt #: 129 total cpu time spent up to now is 645.0 secs Computing kpt #: 130 total cpu time spent up to now is 648.7 secs Computing kpt #: 131 total cpu time spent up to now is 653.3 secs Computing kpt #: 132 total cpu time spent up to now is 656.8 secs Computing kpt #: 133 total cpu time spent up to now is 660.6 secs Computing kpt #: 134 total cpu time spent up to now is 664.3 secs Computing kpt #: 135 total cpu time spent up to now is 667.9 secs Computing kpt #: 136 total cpu time spent up to now is 672.1 secs Computing kpt #: 137 total cpu time spent up to now is 675.8 secs Computing kpt #: 138 total cpu time spent up to now is 679.5 secs Computing kpt #: 139 total cpu time spent up to now is 683.4 secs Computing kpt #: 140 total cpu time spent up to now is 687.2 secs Computing kpt #: 141 total cpu time spent up to now is 691.0 secs Computing kpt #: 142 total cpu time spent up to now is 694.8 secs Computing kpt #: 143 total cpu time spent up to now is 698.6 secs Computing kpt #: 144 total cpu time spent up to now is 702.4 secs Computing kpt #: 145 total cpu time spent up to now is 706.4 secs Computing kpt #: 146 total cpu time spent up to now is 710.2 secs Computing kpt #: 147 total cpu time spent up to now is 714.7 secs Computing kpt #: 148 total cpu time spent up to now is 718.8 secs Computing kpt #: 149 total cpu time spent up to now is 723.1 secs Computing kpt #: 150 total cpu time spent up to now is 727.3 secs Computing kpt #: 151 total cpu time spent up to now is 732.0 secs Computing kpt #: 152 total cpu time spent up to now is 736.3 secs Computing kpt #: 153 total cpu time spent up to now is 740.6 secs Computing kpt #: 154 total cpu time spent up to now is 745.1 secs Computing kpt #: 155 total cpu time spent up to now is 749.6 secs Computing kpt #: 156 total cpu time spent up to now is 754.1 secs Computing kpt #: 157 total cpu time spent up to now is 758.6 secs Computing kpt #: 158 total cpu time spent up to now is 763.1 secs Computing kpt #: 159 total cpu time spent up to now is 768.3 secs Computing kpt #: 160 total cpu time spent up to now is 773.2 secs Computing kpt #: 161 total cpu time spent up to now is 778.1 secs Computing kpt #: 162 total cpu time spent up to now is 783.0 secs Computing kpt #: 163 total cpu time spent up to now is 787.8 secs Computing kpt #: 164 total cpu time spent up to now is 792.5 secs Computing kpt #: 165 total cpu time spent up to now is 797.5 secs Computing kpt #: 166 total cpu time spent up to now is 802.2 secs Computing kpt #: 167 total cpu time spent up to now is 807.2 secs Computing kpt #: 168 total cpu time spent up to now is 811.9 secs Computing kpt #: 169 total cpu time spent up to now is 816.8 secs Computing kpt #: 170 total cpu time spent up to now is 821.5 secs Computing kpt #: 171 total cpu time spent up to now is 826.1 secs Computing kpt #: 172 total cpu time spent up to now is 830.6 secs Computing kpt #: 173 total cpu time spent up to now is 835.3 secs Computing kpt #: 174 total cpu time spent up to now is 840.0 secs Computing kpt #: 175 total cpu time spent up to now is 844.9 secs Computing kpt #: 176 total cpu time spent up to now is 849.5 secs Computing kpt #: 177 total cpu time spent up to now is 854.2 secs Computing kpt #: 178 total cpu time spent up to now is 858.8 secs Computing kpt #: 179 total cpu time spent up to now is 863.4 secs Computing kpt #: 180 total cpu time spent up to now is 867.9 secs Computing kpt #: 181 total cpu time spent up to now is 872.3 secs Computing kpt #: 182 total cpu time spent up to now is 876.7 secs Computing kpt #: 183 total cpu time spent up to now is 881.2 secs Computing kpt #: 184 total cpu time spent up to now is 885.6 secs Computing kpt #: 185 total cpu time spent up to now is 890.1 secs Computing kpt #: 186 total cpu time spent up to now is 894.7 secs Computing kpt #: 187 total cpu time spent up to now is 899.3 secs Computing kpt #: 188 total cpu time spent up to now is 903.6 secs Computing kpt #: 189 total cpu time spent up to now is 907.9 secs Computing kpt #: 190 total cpu time spent up to now is 912.3 secs Computing kpt #: 191 total cpu time spent up to now is 916.6 secs Computing kpt #: 192 total cpu time spent up to now is 920.9 secs Computing kpt #: 193 total cpu time spent up to now is 925.4 secs Computing kpt #: 194 total cpu time spent up to now is 929.8 secs Computing kpt #: 195 total cpu time spent up to now is 934.1 secs Computing kpt #: 196 total cpu time spent up to now is 938.6 secs Computing kpt #: 197 total cpu time spent up to now is 944.0 secs Computing kpt #: 198 total cpu time spent up to now is 948.7 secs Computing kpt #: 199 total cpu time spent up to now is 953.1 secs Computing kpt #: 200 total cpu time spent up to now is 957.4 secs Computing kpt #: 201 total cpu time spent up to now is 961.9 secs Computing kpt #: 202 total cpu time spent up to now is 966.5 secs Computing kpt #: 203 total cpu time spent up to now is 970.9 secs Computing kpt #: 204 total cpu time spent up to now is 975.3 secs Computing kpt #: 205 total cpu time spent up to now is 979.7 secs Computing kpt #: 206 total cpu time spent up to now is 984.5 secs Computing kpt #: 207 total cpu time spent up to now is 989.3 secs Computing kpt #: 208 total cpu time spent up to now is 993.9 secs Computing kpt #: 209 total cpu time spent up to now is 998.4 secs Computing kpt #: 210 total cpu time spent up to now is 1003.0 secs Computing kpt #: 211 total cpu time spent up to now is 1007.7 secs Computing kpt #: 212 total cpu time spent up to now is 1012.3 secs Computing kpt #: 213 total cpu time spent up to now is 1016.8 secs Computing kpt #: 214 total cpu time spent up to now is 1021.9 secs Computing kpt #: 215 total cpu time spent up to now is 1026.6 secs Computing kpt #: 216 total cpu time spent up to now is 1031.7 secs Computing kpt #: 217 total cpu time spent up to now is 1035.9 secs Computing kpt #: 218 total cpu time spent up to now is 1040.2 secs Computing kpt #: 219 total cpu time spent up to now is 1044.1 secs Computing kpt #: 220 total cpu time spent up to now is 1048.4 secs Computing kpt #: 221 total cpu time spent up to now is 1052.8 secs Computing kpt #: 222 total cpu time spent up to now is 1056.6 secs Computing kpt #: 223 total cpu time spent up to now is 1060.4 secs Computing kpt #: 224 total cpu time spent up to now is 1064.3 secs Computing kpt #: 225 total cpu time spent up to now is 1068.1 secs Computing kpt #: 226 total cpu time spent up to now is 1071.8 secs Computing kpt #: 227 total cpu time spent up to now is 1075.6 secs Computing kpt #: 228 total cpu time spent up to now is 1080.0 secs Computing kpt #: 229 total cpu time spent up to now is 1083.8 secs Computing kpt #: 230 total cpu time spent up to now is 1087.5 secs Computing kpt #: 231 total cpu time spent up to now is 1091.4 secs Computing kpt #: 232 total cpu time spent up to now is 1095.2 secs Computing kpt #: 233 total cpu time spent up to now is 1098.9 secs Computing kpt #: 234 total cpu time spent up to now is 1102.7 secs Computing kpt #: 235 total cpu time spent up to now is 1106.6 secs Computing kpt #: 236 total cpu time spent up to now is 1110.2 secs Computing kpt #: 237 total cpu time spent up to now is 1113.7 secs Computing kpt #: 238 total cpu time spent up to now is 1117.4 secs Computing kpt #: 239 total cpu time spent up to now is 1121.9 secs Computing kpt #: 240 total cpu time spent up to now is 1126.7 secs Computing kpt #: 241 total cpu time spent up to now is 1131.0 secs Computing kpt #: 242 total cpu time spent up to now is 1135.4 secs Computing kpt #: 243 total cpu time spent up to now is 1140.0 secs Computing kpt #: 244 total cpu time spent up to now is 1144.5 secs Computing kpt #: 245 total cpu time spent up to now is 1148.9 secs Computing kpt #: 246 total cpu time spent up to now is 1153.1 secs Computing kpt #: 247 total cpu time spent up to now is 1157.5 secs Computing kpt #: 248 total cpu time spent up to now is 1161.9 secs Computing kpt #: 249 total cpu time spent up to now is 1166.1 secs Computing kpt #: 250 total cpu time spent up to now is 1170.4 secs Computing kpt #: 251 total cpu time spent up to now is 1174.8 secs Computing kpt #: 252 total cpu time spent up to now is 1179.1 secs Computing kpt #: 253 total cpu time spent up to now is 1183.3 secs ethr = 2.78E-11, avg # of iterations = 25.3 total cpu time spent up to now is 1183.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 26955 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5783 -7.5783 -6.4147 -6.4147 -6.4142 -6.4142 -6.2856 -6.2856 -1.6670 -1.6670 -0.3731 -0.3731 0.5284 0.5284 0.7511 0.7511 0.9938 0.9938 1.0614 1.0614 1.3517 1.3517 1.6265 1.6265 1.8750 1.8750 2.8581 2.8581 3.6459 3.6459 3.8122 3.8122 5.6209 5.6209 5.8190 5.8190 6.0422 6.0422 7.6759 7.6759 k = 0.0000 0.0000 0.0230 ( 26971 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5775 -7.5775 -6.4153 -6.4153 -6.4148 -6.4147 -6.2857 -6.2856 -1.6670 -1.6657 -0.3811 -0.3665 0.5237 0.5268 0.7303 0.7756 0.9722 0.9913 1.0688 1.0832 1.3334 1.3754 1.6172 1.6376 1.8736 1.8765 2.8510 2.8592 3.6390 3.6423 3.8042 3.8132 5.6254 5.6255 5.8249 5.8256 6.0423 6.0508 7.6730 7.6758 k = 0.0000 0.0000 0.0460 ( 26969 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5752 -7.5751 -6.4171 -6.4170 -6.4164 -6.4164 -6.2860 -6.2859 -1.6656 -1.6630 -0.3907 -0.3618 0.5129 0.5199 0.7130 0.8018 0.9466 0.9717 1.0991 1.1133 1.3214 1.4035 1.6094 1.6509 1.8729 1.8779 2.8376 2.8542 3.6226 3.6274 3.7904 3.8072 5.6383 5.6390 5.8433 5.8439 6.0513 6.0683 7.6648 7.6720 k = 0.0000 0.0000 0.0690 ( 26961 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5712 -7.5711 -6.4201 -6.4200 -6.4190 -6.4190 -6.2865 -6.2864 -1.6629 -1.6590 -0.4018 -0.3593 0.4978 0.5092 0.6976 0.8256 0.9267 0.9525 1.1356 1.1435 1.3163 1.4341 1.6033 1.6670 1.8738 1.8800 2.8175 2.8434 3.5976 3.6008 3.7725 3.7948 5.6580 5.6602 5.8723 5.8736 6.0697 6.0951 7.6530 7.6638 k = 0.0000 0.0000 0.0920 ( 26985 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5657 -7.5656 -6.4242 -6.4241 -6.4225 -6.4225 -6.2873 -6.2872 -1.6591 -1.6537 -0.4145 -0.3595 0.4810 0.4961 0.6820 0.8393 0.9201 0.9387 1.1705 1.1737 1.3189 1.4639 1.6013 1.6863 1.8777 1.8838 2.7905 2.8267 3.5631 3.5654 3.7520 3.7770 5.6824 5.6870 5.9096 5.9146 6.0983 6.1319 7.6406 7.6535 k = 0.0000 0.0000 0.1149 ( 26981 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5586 -7.5585 -6.4296 -6.4294 -6.4270 -6.4269 -6.2884 -6.2882 -1.6542 -1.6473 -0.4291 -0.3629 0.4649 0.4817 0.6653 0.8390 0.9301 0.9308 1.1927 1.2119 1.3291 1.4865 1.6092 1.7094 1.8855 1.8905 2.7562 2.8040 3.5160 3.5276 3.7296 3.7547 5.7092 5.7166 5.9547 5.9645 6.1370 6.1793 7.6292 7.6429 k = 0.0000 0.0000 0.1379 ( 26977 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5500 -7.5498 -6.4360 -6.4358 -6.4324 -6.4323 -6.2897 -6.2895 -1.6484 -1.6399 -0.4457 -0.3703 0.4512 0.4670 0.6479 0.8330 0.9281 0.9473 1.2108 1.2491 1.3455 1.4956 1.6333 1.7367 1.8978 1.9015 2.7145 2.7754 3.4619 3.4859 3.7056 3.7287 5.7366 5.7462 6.0070 6.0211 6.1856 6.2377 7.6196 7.6329 k = 0.0000 0.0000 0.1609 ( 26981 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5399 -7.5397 -6.4434 -6.4432 -6.4386 -6.4384 -6.2913 -6.2911 -1.6418 -1.6316 -0.4647 -0.3820 0.4405 0.4524 0.6314 0.8291 0.9285 0.9627 1.2268 1.2842 1.3662 1.4942 1.6720 1.7684 1.9146 1.9176 2.6658 2.7412 3.4032 3.4420 3.6799 3.6996 5.7633 5.7740 6.0648 6.0815 6.2433 6.3072 7.6122 7.6237 k = 0.0000 0.0000 0.1839 ( 27001 PWs) bands (ev): -41.4183 -41.4183 -41.4179 -41.4179 -7.5282 -7.5280 -6.4518 -6.4515 -6.4455 -6.4454 -6.2933 -6.2931 -1.6347 -1.6227 -0.4860 -0.3984 0.4328 0.4387 0.6182 0.8302 0.9299 0.9720 1.2432 1.3161 1.3896 1.4904 1.7194 1.8045 1.9350 1.9390 2.6106 2.7019 3.3420 3.3970 3.6528 3.6680 5.7889 5.7992 6.1252 6.1428 6.3103 6.3877 7.6073 7.6158 k = 0.0000 0.0000 0.2069 ( 27011 PWs) bands (ev): -41.4183 -41.4183 -41.4179 -41.4179 -7.5151 -7.5148 -6.4611 -6.4608 -6.4532 -6.4530 -6.2958 -6.2955 -1.6273 -1.6133 -0.5098 -0.4194 0.4261 0.4269 0.6105 0.8375 0.9305 0.9728 1.2619 1.3431 1.4151 1.4910 1.7718 1.8446 1.9576 1.9653 2.5504 2.6590 3.2801 3.3519 3.6243 3.6342 5.8131 5.8219 6.1837 6.2020 6.3870 6.4786 7.6050 7.6091 k = 0.0000 0.0000 0.2299 ( 27015 PWs) bands (ev): -41.4183 -41.4183 -41.4179 -41.4179 -7.5005 -7.5002 -6.4712 -6.4708 -6.4615 -6.4613 -6.2986 -6.2984 -1.6198 -1.6036 -0.5360 -0.4447 0.4152 0.4214 0.6102 0.8514 0.9286 0.9647 1.2843 1.3643 1.4426 1.5006 1.8272 1.8877 1.9802 1.9950 2.4875 2.6146 3.2181 3.3067 3.5947 3.5988 5.8364 5.8427 6.2364 6.2568 6.4734 6.5784 7.6037 7.6053 k = 0.0000 0.0000 0.2529 ( 27005 PWs) bands (ev): -41.4183 -41.4183 -41.4179 -41.4179 -7.4845 -7.4842 -6.4820 -6.4816 -6.4703 -6.4701 -6.3020 -6.3017 -1.6122 -1.5938 -0.5645 -0.4739 0.4063 0.4154 0.6180 0.8718 0.9235 0.9483 1.3105 1.3811 1.4723 1.5202 1.8843 1.9319 1.9998 2.0261 2.4255 2.5721 3.1568 3.2614 3.5623 3.5643 5.8588 5.8621 6.2809 6.3057 6.5680 6.6851 7.5998 7.6081 k = 0.0000 0.0000 0.2759 ( 27011 PWs) bands (ev): -41.4183 -41.4183 -41.4179 -41.4179 -7.4671 -7.4668 -6.4934 -6.4930 -6.4796 -6.4794 -6.3060 -6.3057 -1.6049 -1.5842 -0.5951 -0.5064 0.3996 0.4087 0.6329 0.8982 0.9156 0.9254 1.3402 1.3972 1.5043 1.5477 1.9419 1.9728 2.0125 2.0560 2.3713 2.5363 3.0960 3.2156 3.5254 3.5334 5.8806 5.8807 6.3167 6.3479 6.6679 6.7958 7.5972 7.6133 k = 0.0000 0.0000 0.2989 ( 27019 PWs) bands (ev): -41.4183 -41.4183 -41.4179 -41.4179 -7.4485 -7.4481 -6.5054 -6.5049 -6.4893 -6.4891 -6.3106 -6.3102 -1.5980 -1.5749 -0.6275 -0.5417 0.3955 0.4021 0.6520 0.8965 0.9071 0.9311 1.3730 1.4155 1.5388 1.5805 1.9938 1.9977 2.0197 2.0864 2.3357 2.5123 3.0358 3.1689 3.4885 3.5023 5.8983 5.9022 6.3436 6.3829 6.7697 6.9075 7.5960 7.6206 k = 0.0000 0.0000 0.3218 ( 27017 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4179 -7.4285 -7.4281 -6.5178 -6.5174 -6.4992 -6.4990 -6.3158 -6.3155 -1.5915 -1.5660 -0.6615 -0.5790 0.3941 0.3963 0.6709 0.8656 0.9016 0.9677 1.4081 1.4374 1.5757 1.6170 1.9883 1.9932 2.0645 2.1257 2.3287 2.5040 2.9760 3.1208 3.4521 3.4713 5.9155 5.9232 6.3621 6.4104 6.8698 7.0165 7.5962 7.6298 k = 0.0000 0.0000 0.3448 ( 27029 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.4073 -7.4069 -6.5306 -6.5302 -6.5093 -6.5092 -6.3218 -6.3215 -1.5856 -1.5577 -0.6967 -0.6179 0.3918 0.3954 0.6846 0.8330 0.9039 1.0078 1.4449 1.4626 1.6150 1.6562 1.9478 1.9658 2.1216 2.1732 2.3480 2.5117 2.9168 3.0713 3.4167 3.4406 5.9320 5.9439 6.3727 6.4305 6.9646 7.1186 7.5975 7.6405 k = 0.0000 0.0000 0.3678 ( 27047 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.3849 -7.3845 -6.5437 -6.5432 -6.5196 -6.5194 -6.3286 -6.3283 -1.5803 -1.5500 -0.7330 -0.6580 0.3890 0.3992 0.6890 0.8007 0.9175 1.0496 1.4829 1.4903 1.6564 1.6978 1.8926 1.9282 2.1782 2.2240 2.3833 2.5319 2.8589 3.0203 3.3826 3.4103 5.9478 5.9639 6.3756 6.4431 7.0507 7.2094 7.6001 7.6524 k = 0.0000 0.0000 0.3908 ( 27053 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.3614 -7.3610 -6.5571 -6.5566 -6.5298 -6.5296 -6.3362 -6.3359 -1.5755 -1.5430 -0.7700 -0.6987 0.3878 0.4050 0.6850 0.7700 0.9411 1.0907 1.5190 1.5211 1.6982 1.7412 1.8367 1.8879 2.2329 2.2752 2.4265 2.5589 2.8043 2.9681 3.3500 3.3807 5.9626 5.9833 6.3715 6.4486 7.1252 7.2849 7.6038 7.6651 k = 0.0000 0.0000 0.4138 ( 27041 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.3369 -7.3364 -6.5705 -6.5700 -6.5399 -6.5397 -6.3447 -6.3444 -1.5712 -1.5366 -0.8076 -0.7398 0.3876 0.4122 0.6763 0.7425 0.9696 1.1275 1.5471 1.5585 1.7280 1.7848 1.8008 1.8531 2.2841 2.3253 2.4733 2.5842 2.7591 2.9156 3.3190 3.3519 5.9760 6.0015 6.3607 6.4469 7.1859 7.3420 7.6086 7.6783 k = 0.0000 0.0000 0.4368 ( 27065 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.3113 -7.3109 -6.5841 -6.5835 -6.5498 -6.5496 -6.3542 -6.3538 -1.5672 -1.5307 -0.8454 -0.7810 0.3879 0.4196 0.6674 0.7201 0.9968 1.1550 1.5726 1.5930 1.7165 1.8101 1.8231 1.8489 2.3295 2.3729 2.5209 2.5926 2.7381 2.8642 3.2898 3.3241 5.9875 6.0182 6.3435 6.4385 7.2319 7.3791 7.6148 7.6919 k = 0.0000 0.0000 0.4598 ( 27073 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.2849 -7.2844 -6.5976 -6.5971 -6.5595 -6.5592 -6.3646 -6.3642 -1.5636 -1.5252 -0.8834 -0.8221 0.3875 0.4256 0.6618 0.7047 1.0167 1.1671 1.5949 1.6199 1.7059 1.8065 1.8723 1.8907 2.3638 2.4168 2.5665 2.5767 2.7522 2.8163 3.2626 3.2975 5.9964 6.0328 6.3203 6.4234 7.2628 7.3964 7.6223 7.7056 k = 0.0000 0.0000 0.4828 ( 27063 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.2577 -7.2572 -6.6111 -6.6106 -6.5687 -6.5685 -6.3759 -6.3756 -1.5600 -1.5201 -0.9213 -0.8628 0.3857 0.4286 0.6619 0.6982 1.0243 1.1592 1.6165 1.6380 1.7215 1.8145 1.9278 1.9387 2.3764 2.4550 2.5607 2.6057 2.7776 2.7867 3.2377 3.2725 6.0022 6.0445 6.2916 6.4020 7.2793 7.3956 7.6314 7.7194 k = 0.0000 0.0000 0.5057 ( 27049 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.2298 -7.2292 -6.6246 -6.6240 -6.5775 -6.5773 -6.3882 -6.3879 -1.5563 -1.5150 -0.9589 -0.9029 0.3820 0.4278 0.6691 0.7016 1.0172 1.1319 1.6424 1.6581 1.7542 1.8360 1.9858 1.9864 2.3598 2.4847 2.5656 2.6285 2.7607 2.8284 3.2155 3.2495 6.0037 6.0527 6.2576 6.3744 7.2828 7.3799 7.6421 7.7334 k = 0.0000 0.0000 0.5287 ( 27063 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.2012 -7.2007 -6.6379 -6.6373 -6.5857 -6.5855 -6.4015 -6.4012 -1.5523 -1.5099 -0.9961 -0.9424 0.3765 0.4231 0.6836 0.7148 0.9959 1.0903 1.6760 1.6841 1.7940 1.8668 2.0278 2.0470 2.3260 2.5011 2.5865 2.6298 2.7756 2.8723 3.1966 3.2292 6.0002 6.0564 6.2188 6.3412 7.2760 7.3537 7.6546 7.7475 k = 0.0000 0.0000 0.5517 ( 27049 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.1721 -7.1716 -6.6511 -6.6505 -6.5933 -6.5931 -6.4157 -6.4154 -1.5477 -1.5045 -1.0328 -0.9812 0.3700 0.4157 0.7048 0.7362 0.9636 1.0407 1.7117 1.7170 1.8377 1.9027 2.0571 2.1085 2.2953 2.5005 2.6120 2.6268 2.8096 2.9164 3.1814 3.2120 5.9907 6.0545 6.1759 6.3027 7.2621 7.3218 7.6691 7.7619 k = 0.0000 0.0000 0.5747 ( 27045 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.1427 -7.1421 -6.6643 -6.6637 -6.6001 -6.5999 -6.4307 -6.4304 -1.5425 -1.4985 -1.0689 -1.0190 0.3634 0.4073 0.7310 0.7634 0.9249 0.9886 1.7351 1.7628 1.8840 1.9390 2.0639 2.1702 2.2861 2.4884 2.6286 2.6357 2.8496 2.9595 3.1706 3.1989 5.9746 6.0465 6.1293 6.2595 7.2451 7.2890 7.6857 7.7762 k = 0.0000 0.0000 0.5977 ( 27049 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.1130 -7.1123 -6.6774 -6.6768 -6.6061 -6.6059 -6.4465 -6.4462 -1.5363 -1.4919 -1.1043 -1.0558 0.3576 0.3991 0.7584 0.7912 0.8860 0.9403 1.7497 1.8088 1.9316 1.9632 2.0573 2.2312 2.3036 2.4757 2.6307 2.6550 2.8906 3.0012 3.1644 3.1904 5.9516 6.0318 6.0800 6.2124 7.2286 7.2593 7.7042 7.7892 k = 0.0000 0.0000 0.6207 ( 27041 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4180 -7.0831 -7.0825 -6.6905 -6.6899 -6.6112 -6.6110 -6.4628 -6.4625 -1.5291 -1.4843 -1.1388 -1.0916 0.3534 0.3923 0.7723 0.8042 0.8632 0.9123 1.7524 1.8454 1.9558 1.9793 2.0746 2.2904 2.3368 2.4702 2.6289 2.6686 2.9309 3.0408 3.1628 3.1870 5.9220 6.0106 6.0287 6.1623 7.2157 7.2358 7.7245 7.7941 k = 0.0000 0.0000 0.6437 ( 27047 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -7.0533 -7.0526 -6.7038 -6.7031 -6.6153 -6.6150 -6.4797 -6.4794 -1.5205 -1.4756 -1.1724 -1.1262 0.3513 0.3877 0.7501 0.7804 0.8806 0.9266 1.7418 1.8427 1.9568 2.0262 2.1129 2.3467 2.3754 2.4747 2.6219 2.6762 2.9697 3.0779 3.1650 3.1884 5.8872 5.9763 5.9838 6.1104 7.2087 7.2204 7.7447 7.7734 k = 0.0000 0.0000 0.6667 ( 27047 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -7.0236 -7.0229 -6.7173 -6.7166 -6.6182 -6.6179 -6.4967 -6.4964 -1.5107 -1.4657 -1.2049 -1.1596 0.3518 0.3858 0.7095 0.7374 0.9208 0.9660 1.7183 1.7955 1.9899 2.0720 2.1553 2.3988 2.4142 2.4885 2.6102 2.6783 3.0065 3.1123 3.1702 3.1943 5.8489 5.9239 5.9528 6.0580 7.2086 7.2141 7.7305 7.7379 k = 0.0000 0.0000 0.6897 ( 27035 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9943 -6.9936 -6.7313 -6.7306 -6.6198 -6.6196 -6.5137 -6.5134 -1.4993 -1.4544 -1.2363 -1.1916 0.3553 0.3870 0.6657 0.6912 0.9693 1.0142 1.6836 1.7336 2.0315 2.1167 2.1953 2.4442 2.4511 2.5082 2.5964 2.6761 3.0410 3.1436 3.1769 3.2033 5.8097 5.8726 5.9199 6.0065 7.2160 7.2169 7.6807 7.6873 k = 0.0000 0.0000 0.7126 ( 27037 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9656 -6.9649 -6.7459 -6.7452 -6.6201 -6.6199 -6.5304 -6.5301 -1.4863 -1.4415 -1.2665 -1.2223 0.3620 0.3916 0.6226 0.6463 1.0223 1.0668 1.6401 1.6672 2.0735 2.1606 2.2288 2.4769 2.4852 2.5298 2.5866 2.6709 3.0729 3.1714 3.1838 3.2141 5.7719 5.8240 5.8875 5.9577 7.2284 7.2306 7.6293 7.6331 k = 0.0000 0.0000 0.7356 ( 27035 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9376 -6.9369 -6.7615 -6.7607 -6.6190 -6.6187 -6.5464 -6.5461 -1.4717 -1.4271 -1.2954 -1.2515 0.3721 0.3998 0.5817 0.6041 1.0788 1.1223 1.5901 1.5990 2.1138 2.2037 2.2530 2.4842 2.5165 2.5535 2.5898 2.6636 3.1018 3.1897 3.1953 3.2251 5.7382 5.7798 5.8581 5.9133 7.2477 7.2518 7.5780 7.5794 k = 0.0000 0.0000 0.7586 ( 27001 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9105 -6.9098 -6.7782 -6.7774 -6.6162 -6.6159 -6.5613 -6.5610 -1.4554 -1.4111 -1.3229 -1.2792 0.3857 0.4117 0.5434 0.5652 1.1379 1.1798 1.5305 1.5357 2.1516 2.2460 2.2661 2.4669 2.5451 2.5787 2.6027 2.6546 3.1275 3.1931 3.2149 3.2350 5.7106 5.7419 5.8341 5.8751 7.2739 7.2790 7.5271 7.5277 k = 0.0000 0.0000 0.7816 ( 27011 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8847 -6.8839 -6.7963 -6.7955 -6.6117 -6.6114 -6.5749 -6.5746 -1.4375 -1.3933 -1.3490 -1.3053 0.4029 0.4275 0.5083 0.5299 1.1994 1.2387 1.4621 1.4783 2.1861 2.2678 2.2875 2.4382 2.5711 2.6002 2.6152 2.6438 3.1495 3.1932 3.2300 3.2423 5.6909 5.7119 5.8173 5.8446 7.3059 7.3114 7.4768 7.4791 k = 0.0000 0.0000 0.8046 ( 27010 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8602 -6.8595 -6.8160 -6.8152 -6.6053 -6.6050 -6.5869 -6.5866 -1.4178 -1.3739 -1.3735 -1.3298 0.4238 0.4472 0.4766 0.4985 1.2629 1.2986 1.3945 1.4191 2.2163 2.2588 2.3280 2.4041 2.5942 2.6152 2.6225 2.6305 3.1673 3.1892 3.2402 3.2461 5.6807 5.6912 5.8094 5.8230 7.3429 7.3482 7.4289 7.4326 k = 0.0000 0.0000 0.8276 ( 27038 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8373 -6.8373 -6.8365 -6.8365 -6.5970 -6.5970 -6.5968 -6.5968 -1.3965 -1.3965 -1.3527 -1.3527 0.4484 0.4484 0.4709 0.4709 1.3280 1.3280 1.3589 1.3589 2.2411 2.2411 2.3671 2.3671 2.6141 2.6141 2.6226 2.6226 3.1806 3.1806 3.2455 3.2455 5.6807 5.6807 5.8112 5.8112 7.3841 7.3841 7.3888 7.3888 k = 0.0000 0.0000 0.8276 ( 27038 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8373 -6.8373 -6.8365 -6.8365 -6.5970 -6.5970 -6.5968 -6.5968 -1.3965 -1.3965 -1.3527 -1.3527 0.4484 0.4484 0.4709 0.4709 1.3280 1.3280 1.3589 1.3589 2.2411 2.2411 2.3671 2.3671 2.6141 2.6141 2.6226 2.6226 3.1806 3.1806 3.2455 3.2455 5.6807 5.6807 5.8112 5.8112 7.3841 7.3841 7.3888 7.3888 k =-0.0131 0.0172 0.8276 ( 27016 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8373 -6.8373 -6.8365 -6.8365 -6.5972 -6.5972 -6.5969 -6.5969 -1.3951 -1.3951 -1.3512 -1.3512 0.4484 0.4484 0.4713 0.4713 1.3278 1.3278 1.3598 1.3598 2.2391 2.2391 2.3643 2.3643 2.6118 2.6118 2.6228 2.6228 3.1794 3.1794 3.2445 3.2445 5.6840 5.6840 5.8146 5.8146 7.3869 7.3869 7.3930 7.3930 k =-0.0261 0.0345 0.8276 ( 26996 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8372 -6.8372 -6.8365 -6.8365 -6.5977 -6.5977 -6.5974 -6.5974 -1.3909 -1.3909 -1.3468 -1.3468 0.4483 0.4483 0.4727 0.4727 1.3272 1.3272 1.3622 1.3622 2.2330 2.2330 2.3560 2.3560 2.6060 2.6060 2.6225 2.6225 3.1757 3.1757 3.2414 3.2414 5.6938 5.6938 5.8247 5.8247 7.3959 7.3959 7.4048 7.4048 k =-0.0392 0.0517 0.8276 ( 26988 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8372 -6.8372 -6.8365 -6.8365 -6.5984 -6.5984 -6.5981 -6.5981 -1.3840 -1.3840 -1.3396 -1.3396 0.4483 0.4483 0.4749 0.4749 1.3265 1.3265 1.3661 1.3661 2.2228 2.2228 2.3426 2.3426 2.5976 2.5976 2.6210 2.6210 3.1695 3.1695 3.2362 3.2362 5.7098 5.7098 5.8410 5.8410 7.4111 7.4111 7.4236 7.4236 k =-0.0523 0.0689 0.8276 ( 26988 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8373 -6.8373 -6.8365 -6.8365 -6.5993 -6.5993 -6.5990 -6.5990 -1.3744 -1.3744 -1.3296 -1.3296 0.4484 0.4484 0.4779 0.4779 1.3259 1.3259 1.3710 1.3710 2.2086 2.2086 2.3246 2.3246 2.5869 2.5869 2.6183 2.6183 3.1611 3.1611 3.2291 3.2291 5.7314 5.7314 5.8631 5.8631 7.4322 7.4322 7.4487 7.4487 k =-0.0653 0.0862 0.8276 ( 26996 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8375 -6.8375 -6.8367 -6.8367 -6.6003 -6.6003 -6.6000 -6.6000 -1.3624 -1.3624 -1.3171 -1.3171 0.4486 0.4486 0.4816 0.4816 1.3255 1.3255 1.3770 1.3770 2.1904 2.1904 2.3027 2.3027 2.5743 2.5743 2.6146 2.6146 3.1505 3.1505 3.2201 3.2201 5.7579 5.7579 5.8900 5.8900 7.4583 7.4583 7.4793 7.4793 k =-0.0784 0.1034 0.8276 ( 26992 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8380 -6.8380 -6.8372 -6.8372 -6.6013 -6.6013 -6.6009 -6.6009 -1.3481 -1.3481 -1.3021 -1.3021 0.4491 0.4491 0.4861 0.4861 1.3253 1.3253 1.3838 1.3838 2.1685 2.1685 2.2777 2.2777 2.5603 2.5603 2.6100 2.6100 3.1377 3.1377 3.2093 3.2093 5.7885 5.7885 5.9209 5.9209 7.4881 7.4881 7.5138 7.5138 k =-0.0915 0.1206 0.8276 ( 27002 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8388 -6.8388 -6.8379 -6.8379 -6.6021 -6.6021 -6.6017 -6.6017 -1.3317 -1.3317 -1.2850 -1.2850 0.4500 0.4500 0.4913 0.4913 1.3255 1.3255 1.3914 1.3914 2.1431 2.1431 2.2504 2.2504 2.5450 2.5450 2.6046 2.6046 3.1231 3.1231 3.1970 3.1970 5.8222 5.8222 5.9548 5.9548 7.5185 7.5185 7.5496 7.5496 k =-0.1045 0.1379 0.8276 ( 27010 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8400 -6.8400 -6.8392 -6.8392 -6.6027 -6.6027 -6.6022 -6.6022 -1.3135 -1.3135 -1.2659 -1.2659 0.4513 0.4513 0.4974 0.4974 1.3261 1.3261 1.3997 1.3997 2.1148 2.1148 2.2216 2.2216 2.5290 2.5290 2.5987 2.5987 3.1067 3.1067 3.1831 3.1831 5.8579 5.8579 5.9904 5.9904 7.5441 7.5441 7.5814 7.5814 k =-0.1176 0.1551 0.8276 ( 27024 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8418 -6.8418 -6.8410 -6.8410 -6.6027 -6.6027 -6.6023 -6.6023 -1.2938 -1.2938 -1.2453 -1.2453 0.4531 0.4531 0.5043 0.5043 1.3270 1.3270 1.4085 1.4085 2.0841 2.0841 2.1921 2.1921 2.5124 2.5124 2.5922 2.5922 3.0888 3.0888 3.1678 3.1678 5.8948 5.8948 6.0269 6.0269 7.5525 7.5525 7.5984 7.5984 k =-0.1306 0.1723 0.8276 ( 27020 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8443 -6.8443 -6.8434 -6.8434 -6.6022 -6.6022 -6.6018 -6.6018 -1.2730 -1.2730 -1.2236 -1.2236 0.4555 0.4555 0.5122 0.5122 1.3283 1.3283 1.4180 1.4180 2.0520 2.0520 2.1624 2.1624 2.4955 2.4955 2.5852 2.5852 3.0695 3.0695 3.1512 3.1512 5.9316 5.9316 6.0631 6.0631 7.5292 7.5292 7.5850 7.5850 k =-0.1437 0.1895 0.8276 ( 27028 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8475 -6.8475 -6.8466 -6.8466 -6.6010 -6.6010 -6.6005 -6.6005 -1.2514 -1.2514 -1.2010 -1.2010 0.4588 0.4588 0.5213 0.5213 1.3299 1.3299 1.4279 1.4279 2.0193 2.0193 2.1331 2.1331 2.4784 2.4784 2.5779 2.5779 3.0490 3.0490 3.1335 3.1335 5.9675 5.9675 6.0979 6.0979 7.4763 7.4763 7.5367 7.5367 k =-0.1437 0.1895 0.8276 ( 27028 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8475 -6.8475 -6.8466 -6.8466 -6.6010 -6.6010 -6.6005 -6.6005 -1.2514 -1.2514 -1.2010 -1.2010 0.4588 0.4588 0.5213 0.5213 1.3299 1.3299 1.4279 1.4279 2.0193 2.0193 2.1331 2.1331 2.4784 2.4784 2.5779 2.5779 3.0490 3.0490 3.1335 3.1335 5.9675 5.9675 6.0979 6.0979 7.4763 7.4763 7.5367 7.5367 k =-0.1536 0.2026 0.8112 ( 27038 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8600 -6.8592 -6.8415 -6.8407 -6.6102 -6.6098 -6.5880 -6.5876 -1.2514 -1.2174 -1.2000 -1.1663 0.4503 0.4734 0.5198 0.5416 1.3020 1.3383 1.4318 1.4617 1.9706 2.0164 2.0900 2.1317 2.4561 2.4713 2.5668 2.5733 3.0301 3.0352 3.1152 3.1248 5.9870 6.0041 6.1211 6.1288 7.4008 7.4417 7.4656 7.5088 k =-0.1635 0.2157 0.7948 ( 27046 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8722 -6.8714 -6.8377 -6.8369 -6.6191 -6.6186 -6.5733 -6.5729 -1.2507 -1.1987 -1.1820 -1.1306 0.4441 0.4861 0.5250 0.5638 1.2697 1.3214 1.4610 1.4993 1.9214 2.0093 2.0492 2.1289 2.4304 2.4594 2.5510 2.5644 3.0116 3.0204 3.0981 3.1179 6.0073 6.0448 6.1451 6.1635 7.3164 7.3689 7.4198 7.4776 k =-0.1734 0.2287 0.7784 ( 27032 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8840 -6.8832 -6.8357 -6.8350 -6.6276 -6.6271 -6.5573 -6.5569 -1.2495 -1.1966 -1.1462 -1.0941 0.4407 0.4966 0.5367 0.5873 1.2376 1.2967 1.4974 1.5347 1.8740 1.9863 2.0224 2.1246 2.4011 2.4431 2.5307 2.5515 2.9941 3.0056 3.0834 3.1131 6.0276 6.0887 6.1685 6.2015 7.2289 7.2786 7.3866 7.4447 k =-0.1833 0.2418 0.7621 ( 27033 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8954 -6.8946 -6.8351 -6.8345 -6.6356 -6.6351 -6.5405 -6.5402 -1.2481 -1.1942 -1.1097 -1.0571 0.4399 0.5069 0.5530 0.6120 1.2069 1.2709 1.5338 1.5648 1.8312 1.9462 2.0100 2.1188 2.3681 2.4237 2.5059 2.5351 2.9781 2.9917 3.0720 3.1103 6.0467 6.1347 6.1906 6.2422 7.1415 7.1866 7.3551 7.4118 k =-0.1932 0.2548 0.7457 ( 27037 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9063 -6.9054 -6.8357 -6.8350 -6.6433 -6.6428 -6.5233 -6.5230 -1.2463 -1.1915 -1.0731 -1.0200 0.4417 0.5189 0.5718 0.6375 1.1781 1.2458 1.5675 1.5855 1.7970 1.9030 1.9971 2.1123 2.3318 2.4034 2.4772 2.5156 2.9642 2.9796 3.0639 3.1093 6.0638 6.1801 6.2120 6.2849 7.0565 7.0961 7.3251 7.3799 k =-0.2031 0.2679 0.7293 ( 27020 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9166 -6.9157 -6.8370 -6.8364 -6.6504 -6.6499 -6.5062 -6.5058 -1.2445 -1.1888 -1.0365 -0.9830 0.4459 0.5334 0.5919 0.6638 1.1513 1.2223 1.5899 1.5982 1.7767 1.8600 1.9790 2.1055 2.2927 2.3845 2.4457 2.4939 2.9526 2.9696 3.0588 3.1100 6.0779 6.2119 6.2436 6.3289 6.9757 7.0092 7.2970 7.3495 k =-0.2130 0.2809 0.7129 ( 27004 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9263 -6.9254 -6.8389 -6.8383 -6.6571 -6.6566 -6.4894 -6.4890 -1.2425 -1.1860 -1.0005 -0.9467 0.4522 0.5506 0.6127 0.6905 1.1268 1.2007 1.5790 1.6211 1.7717 1.8193 1.9542 2.0989 2.2523 2.3678 2.4133 2.4713 2.9436 2.9617 3.0562 3.1119 6.0883 6.2240 6.2898 6.3733 6.9004 6.9276 7.2708 7.3209 k =-0.2229 0.2940 0.6965 ( 27012 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9353 -6.9344 -6.8411 -6.8405 -6.6632 -6.6627 -6.4732 -6.4729 -1.2407 -1.1833 -0.9654 -0.9114 0.4602 0.5705 0.6340 0.7176 1.1046 1.1815 1.5554 1.6376 1.7642 1.7935 1.9234 2.0914 2.2122 2.3501 2.3850 2.4499 2.9371 2.9558 3.0555 3.1148 6.0942 6.2269 6.3384 6.4176 6.8318 6.8525 7.2468 7.2942 k =-0.2328 0.3070 0.6802 ( 27017 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9435 -6.9426 -6.8435 -6.8429 -6.6689 -6.6683 -6.4580 -6.4576 -1.2389 -1.1808 -0.9316 -0.8775 0.4693 0.5925 0.6558 0.7446 1.0845 1.1648 1.5269 1.6461 1.7299 1.7987 1.8894 2.0815 2.1747 2.3243 2.3691 2.4317 2.9326 2.9514 3.0559 3.1183 6.0955 6.2225 6.3862 6.4608 6.7707 6.7852 7.2249 7.2695 k =-0.2427 0.3201 0.6638 ( 27013 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9511 -6.9502 -6.8459 -6.8453 -6.6740 -6.6734 -6.4438 -6.4434 -1.2372 -1.1784 -0.8996 -0.8455 0.4793 0.6161 0.6779 0.7713 1.0665 1.1508 1.4983 1.6460 1.6920 1.8015 1.8599 2.0677 2.1416 2.2933 2.3636 2.4185 2.9299 2.9484 3.0572 3.1223 6.0922 6.2118 6.4320 6.5020 6.7175 6.7267 7.2053 7.2468 k =-0.2526 0.3331 0.6474 ( 27019 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9578 -6.9569 -6.8482 -6.8477 -6.6785 -6.6779 -6.4309 -6.4305 -1.2357 -1.1763 -0.8698 -0.8159 0.4894 0.6405 0.7003 0.7972 1.0507 1.1395 1.4721 1.6364 1.6558 1.7825 1.8498 2.0506 2.1133 2.2631 2.3628 2.4112 2.9284 2.9462 3.0590 3.1263 6.0846 6.1960 6.4745 6.5402 6.6719 6.6783 7.1881 7.2261 k =-0.2625 0.3462 0.6310 ( 27017 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9637 -6.9628 -6.8503 -6.8498 -6.6825 -6.6819 -6.4194 -6.4190 -1.2343 -1.1744 -0.8427 -0.7892 0.4992 0.6647 0.7233 0.8215 1.0371 1.1307 1.4500 1.6118 1.6284 1.7484 1.8522 2.0319 2.0895 2.2362 2.3645 2.4093 2.9279 2.9448 3.0610 3.1304 6.0738 6.1768 6.5120 6.5726 6.6345 6.6415 7.1732 7.2075 k =-0.2724 0.3592 0.6146 ( 27022 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9687 -6.9678 -6.8523 -6.8518 -6.6859 -6.6853 -6.4095 -6.4091 -1.2332 -1.1728 -0.8188 -0.7657 0.5083 0.6876 0.7466 0.8432 1.0262 1.1238 1.4331 1.5778 1.6069 1.7123 1.8558 2.0121 2.0710 2.2139 2.3676 2.4116 2.9279 2.9438 3.0629 3.1341 6.0609 6.1563 6.5398 6.5872 6.6076 6.6285 7.1610 7.1910 k =-0.2823 0.3723 0.5983 ( 27014 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9729 -6.9719 -6.8539 -6.8534 -6.6886 -6.6880 -6.4012 -6.4008 -1.2322 -1.1715 -0.7985 -0.7459 0.5161 0.7081 0.7697 0.8611 1.0184 1.1183 1.4222 1.5439 1.5852 1.6780 1.8590 1.9900 2.0593 2.1963 2.3712 2.4162 2.9283 2.9432 3.0647 3.1374 6.0475 6.1367 6.5445 6.5768 6.6019 6.6460 7.1513 7.1768 k =-0.2922 0.3853 0.5819 ( 27007 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9761 -6.9752 -6.8552 -6.8547 -6.6908 -6.6902 -6.3947 -6.3943 -1.2315 -1.1705 -0.7823 -0.7301 0.5224 0.7254 0.7915 0.8739 1.0144 1.1134 1.4175 1.5122 1.5654 1.6473 1.8630 1.9663 2.0537 2.1831 2.3747 2.4214 2.9287 2.9427 3.0662 3.1402 6.0352 6.1196 6.5330 6.5600 6.6179 6.6659 7.1443 7.1649 k =-0.3021 0.3984 0.5655 ( 26998 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9785 -6.9775 -6.8562 -6.8557 -6.6924 -6.6918 -6.3900 -6.3895 -1.2310 -1.1698 -0.7704 -0.7187 0.5270 0.7386 0.8100 0.8809 1.0140 1.1091 1.4190 1.4844 1.5500 1.6221 1.8692 1.9432 2.0517 2.1741 2.3776 2.4261 2.9292 2.9424 3.0673 3.1422 6.0252 6.1065 6.5219 6.5471 6.6335 6.6813 7.1399 7.1557 k =-0.3120 0.4115 0.5491 ( 26986 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9799 -6.9789 -6.8568 -6.8563 -6.6933 -6.6927 -6.3872 -6.3867 -1.2307 -1.1693 -0.7631 -0.7117 0.5299 0.7470 0.8229 0.8834 1.0153 1.1059 1.4258 1.4618 1.5405 1.6051 1.8775 1.9237 2.0514 2.1688 2.3795 2.4293 2.9295 2.9423 3.0680 3.1435 6.0188 6.0983 6.5149 6.5392 6.6436 6.6909 7.1379 7.1495 k =-0.3219 0.4245 0.5327 ( 26975 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9803 -6.9794 -6.8570 -6.8565 -6.6936 -6.6930 -6.3862 -6.3858 -1.2306 -1.1692 -0.7607 -0.7094 0.5308 0.7499 0.8277 0.8838 1.0161 1.1046 1.4326 1.4498 1.5373 1.5990 1.8830 1.9142 2.0514 2.1671 2.3802 2.4304 2.9296 2.9422 3.0682 3.1439 6.0166 6.0955 6.5125 6.5365 6.6470 6.6941 7.1375 7.1472 k =-0.3219 0.4245 0.5327 ( 26975 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9803 -6.9794 -6.8570 -6.8565 -6.6936 -6.6930 -6.3862 -6.3858 -1.2306 -1.1692 -0.7607 -0.7094 0.5308 0.7499 0.8277 0.8838 1.0161 1.1046 1.4326 1.4498 1.5373 1.5990 1.8830 1.9142 2.0514 2.1671 2.3802 2.4304 2.9296 2.9422 3.0682 3.1439 6.0166 6.0955 6.5125 6.5365 6.6470 6.6941 7.1375 7.1472 k =-0.3121 0.4116 0.5166 ( 26985 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9922 -6.9912 -6.8405 -6.8400 -6.6996 -6.6990 -6.3816 -6.3811 -1.2423 -1.1807 -0.7378 -0.6816 0.5126 0.7185 0.8088 0.8690 1.0129 1.0774 1.4116 1.4251 1.5121 1.5631 1.8874 1.8975 2.0757 2.1549 2.4144 2.4466 2.9374 2.9554 3.0813 3.1563 6.0519 6.1340 6.5624 6.5791 6.6929 6.7473 7.2375 7.2442 k =-0.3023 0.3988 0.5004 ( 26997 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -7.0078 -7.0069 -6.8234 -6.8229 -6.7016 -6.7010 -6.3769 -6.3764 -1.2551 -1.1937 -0.7170 -0.6559 0.4973 0.6864 0.7905 0.8581 1.0144 1.0530 1.3913 1.4021 1.4911 1.5301 1.8773 1.8839 2.1032 2.1526 2.4506 2.4663 2.9391 2.9630 3.0896 3.1643 6.0873 6.1719 6.6103 6.6202 6.7297 6.7911 7.3330 7.3356 k =-0.2926 0.3859 0.4843 ( 26985 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.0269 -7.0260 -6.8060 -6.8055 -6.7000 -6.6994 -6.3721 -6.3716 -1.2691 -1.2084 -0.6984 -0.6324 0.4846 0.6541 0.7726 0.8509 1.0192 1.0313 1.3719 1.3809 1.4753 1.5019 1.8545 1.8717 2.1334 2.1608 2.4885 2.4887 2.9345 2.9648 3.0930 3.1681 6.1229 6.2090 6.6552 6.6601 6.7589 6.8255 7.4201 7.4224 k =-0.2828 0.3731 0.4682 ( 26999 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.0488 -7.0480 -6.7882 -6.7877 -6.6952 -6.6946 -6.3673 -6.3668 -1.2840 -1.2245 -0.6821 -0.6113 0.4741 0.6219 0.7549 0.8475 1.0116 1.0255 1.3530 1.3619 1.4660 1.4808 1.8301 1.8521 2.1659 2.1781 2.5128 2.5279 2.9235 2.9606 3.0914 3.1683 6.1588 6.2452 6.6947 6.6987 6.7836 6.8515 7.4962 7.5036 k =-0.2731 0.3602 0.4520 ( 26999 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.0729 -7.0721 -6.7701 -6.7696 -6.6879 -6.6873 -6.3626 -6.3621 -1.2999 -1.2419 -0.6678 -0.5924 0.4653 0.5904 0.7377 0.8475 0.9932 1.0313 1.3342 1.3452 1.4640 1.4694 1.8050 1.8272 2.2004 2.2021 2.5373 2.5688 2.9062 2.9501 3.0849 3.1654 6.1949 6.2806 6.7248 6.7359 6.8088 6.8705 7.5617 7.5736 k =-0.2633 0.3473 0.4359 ( 27021 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.0986 -7.0978 -6.7518 -6.7512 -6.6786 -6.6781 -6.3578 -6.3573 -1.3166 -1.2605 -0.6554 -0.5755 0.4577 0.5600 0.7214 0.8509 0.9753 1.0343 1.3155 1.3311 1.4695 1.4698 1.7802 1.7991 2.2304 2.2363 2.5612 2.6108 2.8829 2.9336 3.0738 3.1606 6.2314 6.3154 6.7423 6.7716 6.8389 6.8841 7.6126 7.6271 k =-0.2536 0.3345 0.4197 ( 27021 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.1253 -7.1246 -6.7333 -6.7327 -6.6677 -6.6673 -6.3531 -6.3526 -1.3340 -1.2801 -0.6446 -0.5604 0.4509 0.5309 0.7063 0.8572 0.9576 1.0329 1.2978 1.3193 1.4820 1.4830 1.7569 1.7693 2.2612 2.2730 2.5830 2.6532 2.8543 2.9111 3.0586 3.1552 6.2682 6.3494 6.7491 6.8048 6.8731 6.8940 7.6411 7.6538 k =-0.2438 0.3216 0.4036 ( 27023 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.1527 -7.1520 -6.7147 -6.7141 -6.6557 -6.6553 -6.3485 -6.3480 -1.3521 -1.3005 -0.6352 -0.5470 0.4443 0.5035 0.6927 0.8663 0.9402 1.0261 1.2817 1.3098 1.5019 1.5063 1.7370 1.7388 2.2930 2.3096 2.6015 2.6940 2.8228 2.8829 3.0402 3.1511 6.3052 6.3829 6.7492 6.8341 6.9029 6.9084 7.6348 7.6398 k =-0.2341 0.3087 0.3874 ( 27025 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.1804 -7.1797 -6.6961 -6.6955 -6.6429 -6.6425 -6.3439 -6.3434 -1.3706 -1.3216 -0.6267 -0.5348 0.4377 0.4780 0.6806 0.8777 0.9235 1.0142 1.2681 1.3026 1.5228 1.5408 1.7086 1.7238 2.3242 2.3447 2.6161 2.7221 2.7995 2.8496 3.0199 3.1503 6.3418 6.4157 6.7449 6.8556 6.9150 6.9426 7.5807 7.5857 k =-0.2243 0.2959 0.3713 ( 27039 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.2081 -7.2074 -6.6775 -6.6769 -6.6295 -6.6291 -6.3395 -6.3390 -1.3894 -1.3431 -0.6189 -0.5236 0.4309 0.4547 0.6697 0.8911 0.9084 0.9983 1.2571 1.2976 1.5397 1.5831 1.6797 1.7226 2.3531 2.3756 2.6269 2.7069 2.8120 2.8152 2.9997 3.1549 6.3776 6.4473 6.7378 6.8655 6.9341 6.9746 7.4899 7.5024 k =-0.2146 0.2830 0.3552 ( 27031 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.2356 -7.2350 -6.6591 -6.6585 -6.6156 -6.6153 -6.3351 -6.3346 -1.4085 -1.3649 -0.6116 -0.5130 0.4240 0.4337 0.6596 0.8957 0.9062 0.9796 1.2486 1.2950 1.5466 1.6252 1.6587 1.7387 2.3779 2.3983 2.6364 2.6642 2.7712 2.8535 2.9830 3.1660 6.4114 6.4772 6.7285 6.8654 6.9583 7.0034 7.3823 7.4003 k =-0.2048 0.2701 0.3390 ( 27047 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.2627 -7.2621 -6.6408 -6.6402 -6.6016 -6.6013 -6.3309 -6.3304 -1.4276 -1.3868 -0.6044 -0.5028 0.4151 0.4170 0.6496 0.8859 0.9223 0.9593 1.2423 1.2945 1.5425 1.6169 1.6941 1.7719 2.3956 2.4072 2.6142 2.6469 2.7307 2.8911 2.9767 3.1843 6.4416 6.5042 6.7171 6.8585 6.9834 7.0276 7.2679 7.2912 k =-0.1951 0.2573 0.3229 ( 27061 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.2892 -7.2887 -6.6228 -6.6222 -6.5874 -6.5871 -6.3268 -6.3263 -1.4466 -1.4086 -0.5970 -0.4928 0.3992 0.4104 0.6394 0.8794 0.9385 0.9391 1.2381 1.2961 1.5317 1.5926 1.7500 1.8170 2.3985 2.4028 2.5629 2.6460 2.7085 2.9146 2.9934 3.2092 6.4660 6.5270 6.7039 6.8458 7.0035 7.0405 7.1560 7.1882 k =-0.1853 0.2444 0.3067 ( 27043 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.3151 -7.3146 -6.6052 -6.6046 -6.5733 -6.5730 -6.3229 -6.3224 -1.4654 -1.4302 -0.5894 -0.4828 0.3860 0.4044 0.6288 0.8761 0.9180 0.9559 1.2355 1.2996 1.5180 1.5690 1.8078 1.8688 2.3729 2.3942 2.5157 2.6107 2.7293 2.9263 3.0325 3.2399 6.4819 6.5435 6.6886 6.8275 6.9817 7.0064 7.0869 7.1316 k =-0.1756 0.2316 0.2906 ( 27023 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.3401 -7.3396 -6.5879 -6.5874 -6.5594 -6.5591 -6.3191 -6.3187 -1.4839 -1.4514 -0.5813 -0.4726 0.3755 0.3993 0.6182 0.8754 0.8984 0.9723 1.2342 1.3047 1.5041 1.5475 1.8640 1.9234 2.3339 2.3646 2.4797 2.5643 2.7692 2.9404 3.0804 3.2752 6.4863 6.5517 6.6695 6.8027 6.8839 6.9152 7.0974 7.1364 k =-0.1658 0.2187 0.2744 ( 27033 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.3643 -7.3638 -6.5712 -6.5706 -6.5457 -6.5454 -6.3155 -6.3151 -1.5020 -1.4721 -0.5725 -0.4622 0.3678 0.3953 0.6080 0.8768 0.8803 0.9877 1.2337 1.3110 1.4915 1.5283 1.9153 1.9773 2.2854 2.3164 2.4564 2.5180 2.8171 2.9624 3.1314 3.3138 6.4775 6.5494 6.6415 6.7591 6.7840 6.8183 7.1281 7.1586 k =-0.1561 0.2058 0.2583 ( 27029 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.3874 -7.3870 -6.5549 -6.5544 -6.5323 -6.5321 -6.3122 -6.3117 -1.5195 -1.4921 -0.5631 -0.4515 0.3630 0.3925 0.5989 0.8639 0.8792 1.0015 1.2336 1.3178 1.4810 1.5116 1.9573 2.0263 2.2302 2.2585 2.4434 2.4766 2.8698 2.9923 3.1838 3.3547 6.4551 6.5346 6.5940 6.6540 6.7377 6.7410 7.1653 7.1875 k =-0.1463 0.1930 0.2421 ( 27023 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.4095 -7.4091 -6.5393 -6.5388 -6.5194 -6.5192 -6.3089 -6.3085 -1.5364 -1.5114 -0.5530 -0.4406 0.3609 0.3911 0.5916 0.8497 0.8821 1.0130 1.2335 1.3243 1.4735 1.4975 1.9854 2.0645 2.1706 2.1968 2.4418 2.4463 2.9260 3.0289 3.2367 3.3971 6.4194 6.5020 6.5223 6.5509 6.6799 6.6993 7.2071 7.2218 k =-0.1365 0.1801 0.2260 ( 27023 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.4304 -7.4301 -6.5244 -6.5238 -6.5069 -6.5068 -6.3059 -6.3055 -1.5525 -1.5299 -0.5421 -0.4295 0.3617 0.3911 0.5866 0.8379 0.8848 1.0219 1.2330 1.3293 1.4698 1.4855 1.9960 2.0831 2.1098 2.1346 2.4342 2.4546 2.9849 3.0709 3.2896 3.4401 6.3676 6.4242 6.4437 6.4853 6.6322 6.6531 7.2524 7.2606 k =-0.1268 0.1672 0.2099 ( 27005 PWs) bands (ev): -41.4183 -41.4183 -41.4179 -41.4179 -7.4501 -7.4498 -6.5102 -6.5097 -6.4951 -6.4949 -6.3031 -6.3028 -1.5679 -1.5474 -0.5305 -0.4185 0.3651 0.3926 0.5845 0.8288 0.8868 1.0276 1.2319 1.3319 1.4701 1.4750 1.9893 2.0411 2.0740 2.0859 2.4447 2.4818 3.0457 3.1169 3.3422 3.4831 6.2956 6.3254 6.3763 6.4356 6.5834 6.6026 7.3003 7.3032 k =-0.1170 0.1544 0.1937 ( 26997 PWs) bands (ev): -41.4183 -41.4183 -41.4179 -41.4179 -7.4686 -7.4683 -6.4967 -6.4963 -6.4838 -6.4837 -6.3005 -6.3002 -1.5823 -1.5639 -0.5183 -0.4076 0.3712 0.3957 0.5856 0.8226 0.8880 1.0297 1.2299 1.3312 1.4647 1.4742 1.9686 1.9767 2.0178 2.0657 2.4741 2.5198 3.1082 3.1661 3.3940 3.5255 6.2119 6.2290 6.3186 6.3814 6.5299 6.5482 7.3481 7.3495 k =-0.1073 0.1415 0.1776 ( 27007 PWs) bands (ev): -41.4183 -41.4183 -41.4179 -41.4179 -7.4857 -7.4855 -6.4842 -6.4838 -6.4733 -6.4732 -6.2981 -6.2978 -1.5958 -1.5794 -0.5055 -0.3972 0.3798 0.4005 0.5901 0.8193 0.8883 1.0278 1.2272 1.3267 1.4534 1.4814 1.9122 1.9348 1.9717 2.0362 2.5148 2.5640 3.1716 3.2176 3.4449 3.5666 6.1269 6.1377 6.2636 6.3226 6.4718 6.4909 7.3938 7.3986 k =-0.0975 0.1286 0.1614 ( 26987 PWs) bands (ev): -41.4183 -41.4183 -41.4179 -41.4179 -7.5015 -7.5013 -6.4725 -6.4721 -6.4635 -6.4634 -6.2959 -6.2956 -1.6083 -1.5937 -0.4922 -0.3875 0.3906 0.4072 0.5980 0.8191 0.8879 1.0218 1.2237 1.3183 1.4395 1.4903 1.8489 1.8906 1.9387 2.0036 2.5603 2.6104 3.2354 3.2706 3.4944 3.6060 6.0454 6.0524 6.2093 6.2607 6.4104 6.4319 7.4389 7.4463 k =-0.0878 0.1158 0.1453 ( 26989 PWs) bands (ev): -41.4183 -41.4183 -41.4179 -41.4179 -7.5159 -7.5157 -6.4618 -6.4615 -6.4545 -6.4544 -6.2940 -6.2937 -1.6196 -1.6068 -0.4787 -0.3787 0.4034 0.4160 0.6089 0.8220 0.8871 1.0116 1.2194 1.3058 1.4219 1.4996 1.7880 1.8452 1.9140 1.9724 2.6068 2.6563 3.2988 3.3242 3.5421 3.6432 5.9691 5.9737 6.1555 6.1973 6.3478 6.3727 7.4821 7.4914 k =-0.0780 0.1029 0.1291 ( 26989 PWs) bands (ev): -41.4183 -41.4183 -41.4179 -41.4179 -7.5289 -7.5287 -6.4522 -6.4518 -6.4463 -6.4462 -6.2922 -6.2920 -1.6299 -1.6188 -0.4650 -0.3712 0.4181 0.4269 0.6223 0.8277 0.8866 0.9973 1.2140 1.2889 1.4005 1.5076 1.7308 1.8033 1.8955 1.9450 2.6518 2.6995 3.3608 3.3776 3.5878 3.6777 5.8990 5.9020 6.1025 6.1339 6.2864 6.3148 7.5223 7.5326 k =-0.0683 0.0900 0.1130 ( 26987 PWs) bands (ev): -41.4184 -41.4183 -41.4179 -41.4179 -7.5404 -7.5402 -6.4435 -6.4432 -6.4390 -6.4389 -6.2906 -6.2904 -1.6390 -1.6294 -0.4514 -0.3652 0.4341 0.4401 0.6375 0.8357 0.8872 0.9799 1.2070 1.2677 1.3763 1.5121 1.6797 1.7662 1.8827 1.9227 2.6940 2.7388 3.4203 3.4295 3.6309 3.7092 5.8359 5.8377 6.0506 6.0720 6.2284 6.2598 7.5588 7.5692 k =-0.0585 0.0772 0.0969 ( 26995 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5504 -7.5502 -6.4359 -6.4357 -6.4326 -6.4325 -6.2893 -6.2891 -1.6468 -1.6388 -0.4379 -0.3608 0.4510 0.4553 0.6536 0.8444 0.8899 0.9613 1.1967 1.2422 1.3521 1.5093 1.6388 1.7342 1.8750 1.9058 2.7325 2.7732 3.4759 3.4789 3.6710 3.7372 5.7802 5.7812 6.0003 6.0131 6.1763 6.2089 7.5909 7.6006 k =-0.0488 0.0643 0.0807 ( 26987 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5589 -7.5588 -6.4295 -6.4292 -6.4271 -6.4270 -6.2882 -6.2880 -1.6535 -1.6469 -0.4249 -0.3582 0.4683 0.4719 0.6695 0.8497 0.8963 0.9460 1.1811 1.2132 1.3319 1.4941 1.6137 1.7072 1.8712 1.8939 2.7666 2.8023 3.5242 3.5261 3.7076 3.7614 5.7323 5.7328 5.9528 5.9589 6.1317 6.1635 7.6183 7.6263 k =-0.0390 0.0515 0.0646 ( 26985 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5659 -7.5658 -6.4241 -6.4240 -6.4225 -6.4225 -6.2872 -6.2871 -1.6588 -1.6536 -0.4126 -0.3575 0.4852 0.4891 0.6846 0.8446 0.9075 0.9420 1.1584 1.1814 1.3195 1.4670 1.6046 1.6846 1.8702 1.8861 2.7958 2.8256 3.5641 3.5691 3.7401 3.7816 5.6927 5.6928 5.9095 5.9113 6.0957 6.1243 7.6410 7.6463 k =-0.0293 0.0386 0.0484 ( 26965 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5713 -7.5712 -6.4200 -6.4199 -6.4190 -6.4189 -6.2865 -6.2864 -1.6629 -1.6590 -0.4010 -0.3587 0.5009 0.5053 0.6988 0.8266 0.9244 0.9524 1.1293 1.1480 1.3162 1.4349 1.6050 1.6660 1.8707 1.8813 2.8198 2.8429 3.5973 3.6036 3.7675 3.7974 5.6615 5.6615 5.8720 5.8724 6.0688 6.0921 7.6587 7.6602 k =-0.0195 0.0257 0.0323 ( 26965 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5752 -7.5752 -6.4170 -6.4170 -6.4164 -6.4163 -6.2860 -6.2859 -1.6656 -1.6630 -0.3905 -0.3618 0.5143 0.5185 0.7134 0.8017 0.9467 0.9716 1.0970 1.1145 1.3213 1.4034 1.6099 1.6504 1.8720 1.8784 2.8383 2.8540 3.6226 3.6283 3.7891 3.8082 5.6389 5.6390 5.8427 5.8438 6.0511 6.0674 7.6687 7.6706 k =-0.0098 0.0129 0.0161 ( 26967 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5775 -7.5775 -6.4153 -6.4153 -6.4148 -6.4147 -6.2857 -6.2856 -1.6670 -1.6657 -0.3811 -0.3666 0.5239 0.5266 0.7304 0.7755 0.9723 0.9914 1.0684 1.0832 1.3335 1.3753 1.6173 1.6375 1.8735 1.8765 2.8511 2.8591 3.6391 3.6424 3.8041 3.8134 5.6254 5.6254 5.8247 5.8256 6.0422 6.0507 7.6736 7.6756 k = 0.0000 0.0000 0.0000 ( 26955 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5783 -7.5783 -6.4147 -6.4147 -6.4142 -6.4142 -6.2856 -6.2856 -1.6670 -1.6670 -0.3731 -0.3731 0.5284 0.5284 0.7511 0.7511 0.9938 0.9938 1.0614 1.0614 1.3517 1.3517 1.6265 1.6265 1.8750 1.8750 2.8581 2.8581 3.6459 3.6459 3.8122 3.8122 5.6209 5.6209 5.8190 5.8190 6.0422 6.0422 7.6759 7.6759 k = 0.0000 0.0000 0.0000 ( 26955 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5783 -7.5783 -6.4147 -6.4147 -6.4142 -6.4142 -6.2856 -6.2856 -1.6670 -1.6670 -0.3731 -0.3731 0.5284 0.5284 0.7511 0.7511 0.9938 0.9938 1.0614 1.0614 1.3517 1.3517 1.6265 1.6265 1.8750 1.8750 2.8581 2.8581 3.6459 3.6459 3.8122 3.8122 5.6209 5.6209 5.8190 5.8190 6.0422 6.0422 7.6759 7.6759 k = 0.0185 0.0140 0.0000 ( 26943 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5775 -7.5775 -6.4148 -6.4148 -6.4143 -6.4143 -6.2870 -6.2870 -1.6659 -1.6659 -0.3761 -0.3761 0.5302 0.5302 0.7530 0.7530 0.9956 0.9956 1.0625 1.0625 1.3542 1.3542 1.6277 1.6277 1.8761 1.8761 2.8556 2.8556 3.6432 3.6432 3.8054 3.8054 5.6231 5.6231 5.8240 5.8240 6.0430 6.0430 7.6721 7.6721 k = 0.0370 0.0281 0.0000 ( 26951 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5749 -7.5749 -6.4150 -6.4150 -6.4145 -6.4145 -6.2915 -6.2915 -1.6624 -1.6624 -0.3851 -0.3851 0.5355 0.5355 0.7585 0.7585 1.0009 1.0009 1.0659 1.0659 1.3617 1.3617 1.6312 1.6312 1.8794 1.8794 2.8480 2.8480 3.6351 3.6351 3.7853 3.7853 5.6298 5.6298 5.8382 5.8382 6.0458 6.0458 7.6600 7.6600 k = 0.0556 0.0421 0.0000 ( 26951 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5707 -7.5707 -6.4154 -6.4154 -6.4148 -6.4148 -6.2989 -6.2989 -1.6568 -1.6568 -0.3997 -0.3997 0.5437 0.5437 0.7678 0.7678 1.0096 1.0096 1.0718 1.0718 1.3739 1.3739 1.6371 1.6371 1.8848 1.8848 2.8355 2.8355 3.6218 3.6218 3.7530 3.7530 5.6407 5.6407 5.8599 5.8599 6.0512 6.0512 7.6378 7.6378 k = 0.0741 0.0562 0.0000 ( 26983 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5648 -7.5648 -6.4159 -6.4159 -6.4153 -6.4153 -6.3091 -6.3091 -1.6489 -1.6489 -0.4192 -0.4192 0.5542 0.5542 0.7807 0.7807 1.0213 1.0213 1.0808 1.0808 1.3904 1.3904 1.6452 1.6452 1.8924 1.8924 2.8181 2.8181 3.6034 3.6034 3.7097 3.7097 5.6557 5.6557 5.8860 5.8860 6.0606 6.0606 7.6028 7.6028 k = 0.0926 0.0702 0.0000 ( 27035 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5571 -7.5571 -6.4165 -6.4165 -6.4160 -6.4160 -6.3222 -6.3222 -1.6389 -1.6389 -0.4428 -0.4428 0.5664 0.5664 0.7971 0.7971 1.0356 1.0356 1.0936 1.0936 1.4110 1.4110 1.6556 1.6556 1.9019 1.9019 2.7962 2.7962 3.5802 3.5802 3.6572 3.6572 5.6740 5.6740 5.9126 5.9126 6.0758 6.0758 7.5527 7.5527 k = 0.1111 0.0842 0.0000 ( 27027 PWs) bands (ev): -41.4184 -41.4184 -41.4179 -41.4179 -7.5479 -7.5479 -6.4172 -6.4172 -6.4167 -6.4167 -6.3379 -6.3379 -1.6270 -1.6270 -0.4699 -0.4699 0.5799 0.5799 0.8168 0.8168 1.0519 1.0519 1.1109 1.1109 1.4352 1.4352 1.6683 1.6683 1.9134 1.9134 2.7698 2.7698 3.5523 3.5523 3.5973 3.5973 5.6949 5.6949 5.9364 5.9364 6.0979 6.0979 7.4862 7.4862 k = 0.1296 0.0983 0.0000 ( 27003 PWs) bands (ev): -41.4183 -41.4183 -41.4179 -41.4179 -7.5369 -7.5369 -6.4181 -6.4181 -6.4176 -6.4176 -6.3562 -6.3562 -1.6132 -1.6132 -0.4997 -0.4997 0.5942 0.5942 0.8393 0.8393 1.0694 1.0694 1.1334 1.1334 1.4624 1.4624 1.6830 1.6830 1.9267 1.9267 2.7393 2.7393 3.5189 3.5189 3.5329 3.5329 5.7172 5.7172 5.9565 5.9565 6.1259 6.1259 7.4043 7.4043 k = 0.1481 0.1123 0.0000 ( 26991 PWs) bands (ev): -41.4183 -41.4183 -41.4179 -41.4179 -7.5244 -7.5244 -6.4190 -6.4190 -6.4185 -6.4185 -6.3770 -6.3770 -1.5978 -1.5978 -0.5316 -0.5316 0.6095 0.6095 0.8641 0.8641 1.0880 1.0880 1.1611 1.1611 1.4923 1.4923 1.6998 1.6998 1.9417 1.9417 2.7050 2.7050 3.4590 3.4590 3.4869 3.4869 5.7388 5.7388 5.9750 5.9750 6.1563 6.1563 7.3096 7.3096 k = 0.1667 0.1264 0.0000 ( 26995 PWs) bands (ev): -41.4183 -41.4183 -41.4179 -41.4179 -7.5102 -7.5102 -6.4201 -6.4201 -6.4196 -6.4196 -6.4001 -6.4001 -1.5808 -1.5808 -0.5650 -0.5650 0.6258 0.6258 0.8907 0.8907 1.1077 1.1077 1.1938 1.1938 1.5244 1.5244 1.7186 1.7186 1.9580 1.9580 2.6674 2.6674 3.3859 3.3859 3.4476 3.4476 5.7574 5.7574 5.9955 5.9955 6.1842 6.1842 7.2059 7.2059 k = 0.1852 0.1404 0.0000 ( 26999 PWs) bands (ev): -41.4183 -41.4183 -41.4179 -41.4179 -7.4944 -7.4944 -6.4253 -6.4253 -6.4211 -6.4211 -6.4207 -6.4207 -1.5624 -1.5624 -0.5994 -0.5994 0.6434 0.6434 0.9188 0.9188 1.1286 1.1286 1.2306 1.2306 1.5583 1.5583 1.7392 1.7392 1.9754 1.9754 2.6269 2.6269 3.3106 3.3106 3.4059 3.4059 5.7705 5.7705 6.0214 6.0214 6.2054 6.2054 7.0964 7.0964 k = 0.2037 0.1544 0.0000 ( 27019 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.4771 -7.4771 -6.4525 -6.4525 -6.4223 -6.4223 -6.4219 -6.4219 -1.5427 -1.5427 -0.6345 -0.6345 0.6625 0.6625 0.9479 0.9479 1.1508 1.1508 1.2707 1.2707 1.5934 1.5934 1.7615 1.7615 1.9934 1.9934 2.5841 2.5841 3.2344 3.2344 3.3619 3.3619 5.7766 5.7766 6.0550 6.0550 6.2163 6.2163 6.9841 6.9841 k = 0.2222 0.1685 0.0000 ( 27019 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.4582 -7.4582 -6.4815 -6.4815 -6.4235 -6.4235 -6.4231 -6.4231 -1.5220 -1.5220 -0.6699 -0.6699 0.6833 0.6833 0.9778 0.9778 1.1745 1.1745 1.3133 1.3133 1.6295 1.6295 1.7854 1.7854 2.0114 2.0114 2.5398 2.5398 3.1583 3.1583 3.3160 3.3160 5.7755 5.7755 6.0961 6.0961 6.2152 6.2152 6.8711 6.8711 k = 0.2407 0.1825 0.0000 ( 26976 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.4378 -7.4378 -6.5121 -6.5121 -6.4247 -6.4247 -6.4243 -6.4243 -1.5004 -1.5004 -0.7053 -0.7053 0.7061 0.7061 1.0082 1.0082 1.1995 1.1995 1.3575 1.3575 1.6659 1.6659 1.8106 1.8106 2.0286 2.0286 2.4951 2.4951 3.0832 3.0832 3.2686 3.2686 5.7682 5.7682 6.1419 6.1419 6.2033 6.2033 6.7592 6.7592 k = 0.2593 0.1966 0.0000 ( 26932 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.4159 -7.4159 -6.5442 -6.5442 -6.4259 -6.4259 -6.4256 -6.4256 -1.4781 -1.4781 -0.7406 -0.7406 0.7311 0.7311 1.0390 1.0390 1.2257 1.2257 1.4025 1.4025 1.7023 1.7023 1.8371 1.8371 2.0437 2.0437 2.4512 2.4512 3.0099 3.0099 3.2201 3.2201 5.7561 5.7561 6.1608 6.1608 6.2116 6.2116 6.6500 6.6500 k = 0.2778 0.2106 0.0000 ( 26928 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.3926 -7.3926 -6.5776 -6.5776 -6.4272 -6.4272 -6.4268 -6.4268 -1.4550 -1.4550 -0.7756 -0.7756 0.7583 0.7583 1.0697 1.0697 1.2528 1.2528 1.4474 1.4474 1.7382 1.7382 1.8644 1.8644 2.0549 2.0549 2.4103 2.4103 2.9392 2.9392 3.1709 3.1709 5.7402 5.7402 6.1282 6.1282 6.2653 6.2653 6.5447 6.5447 k = 0.2963 0.2246 0.0000 ( 26932 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.3679 -7.3679 -6.6121 -6.6121 -6.4283 -6.4283 -6.4280 -6.4280 -1.4314 -1.4314 -0.8102 -0.8102 0.7879 0.7879 1.1001 1.1001 1.2807 1.2807 1.4915 1.4915 1.7730 1.7730 1.8923 1.8923 2.0597 2.0597 2.3749 2.3749 2.8719 2.8719 3.1216 3.1216 5.7217 5.7217 6.0830 6.0830 6.3247 6.3247 6.4449 6.4449 k = 0.3148 0.2387 0.0000 ( 26928 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.3419 -7.3419 -6.6475 -6.6475 -6.4295 -6.4295 -6.4292 -6.4292 -1.4074 -1.4074 -0.8443 -0.8443 0.8198 0.8198 1.1298 1.1298 1.3091 1.3091 1.5336 1.5336 1.8062 1.8062 1.9204 1.9204 2.0559 2.0559 2.3476 2.3476 2.8090 2.8090 3.0724 3.0724 5.7017 5.7017 6.0318 6.0318 6.3361 6.3361 6.3514 6.3514 k = 0.3333 0.2527 0.0000 ( 26944 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.3145 -7.3145 -6.6837 -6.6837 -6.4306 -6.4306 -6.4303 -6.4303 -1.3830 -1.3830 -0.8777 -0.8777 0.8539 0.8539 1.1582 1.1582 1.3378 1.3378 1.5726 1.5726 1.8372 1.8372 1.9476 1.9476 2.0430 2.0430 2.3296 2.3296 2.7518 2.7518 3.0239 3.0239 5.6810 5.6810 5.9775 5.9775 6.2553 6.2553 6.2622 6.2622 k = 0.3519 0.2668 0.0000 ( 26964 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.2859 -7.2859 -6.7206 -6.7206 -6.4316 -6.4316 -6.4313 -6.4313 -1.3583 -1.3583 -0.9105 -0.9105 0.8902 0.8902 1.1844 1.1844 1.3664 1.3664 1.6073 1.6073 1.8654 1.8654 1.9708 1.9708 2.0258 2.0258 2.3192 2.3192 2.7018 2.7018 2.9764 2.9764 5.6607 5.6607 5.9224 5.9224 6.1746 6.1746 6.1793 6.1793 k = 0.3704 0.2808 0.0000 ( 26988 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.2561 -7.2561 -6.7579 -6.7579 -6.4325 -6.4325 -6.4323 -6.4323 -1.3332 -1.3332 -0.9427 -0.9427 0.9283 0.9283 1.2078 1.2078 1.3948 1.3948 1.6357 1.6357 1.8896 1.8896 1.9759 1.9759 2.0234 2.0234 2.3122 2.3122 2.6610 2.6610 2.9302 2.9302 5.6416 5.6416 5.8682 5.8682 6.1010 6.1010 6.1040 6.1040 k = 0.3889 0.2948 0.0000 ( 27016 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -7.2252 -7.2252 -6.7955 -6.7955 -6.4333 -6.4333 -6.4331 -6.4331 -1.3079 -1.3079 -0.9742 -0.9742 0.9679 0.9679 1.2271 1.2271 1.4227 1.4227 1.6554 1.6554 1.9076 1.9076 1.9624 1.9624 2.0428 2.0428 2.3040 2.3040 2.6314 2.6314 2.8858 2.8858 5.6247 5.6247 5.8166 5.8166 6.0354 6.0354 6.0372 6.0372 k = 0.4074 0.3089 0.0000 ( 27072 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -7.1932 -7.1932 -6.8332 -6.8332 -6.4341 -6.4341 -6.4339 -6.4339 -1.2823 -1.2823 -1.0049 -1.0049 1.0086 1.0086 1.2410 1.2410 1.4500 1.4500 1.6637 1.6637 1.9157 1.9157 1.9561 1.9561 2.0669 2.0669 2.2916 2.2916 2.6144 2.6144 2.8435 2.8435 5.6109 5.6109 5.7688 5.7688 5.9786 5.9786 5.9795 5.9795 k = 0.4259 0.3229 0.0000 ( 27064 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -7.1603 -7.1603 -6.8710 -6.8710 -6.4346 -6.4346 -6.4345 -6.4345 -1.2565 -1.2565 -1.0351 -1.0351 1.0496 1.0496 1.2484 1.2484 1.4766 1.4766 1.6595 1.6595 1.9177 1.9177 1.9600 1.9600 2.0910 2.0910 2.2741 2.2741 2.6096 2.6096 2.8036 2.8036 5.6010 5.6010 5.7258 5.7258 5.9309 5.9309 5.9317 5.9317 k = 0.4444 0.3370 0.0000 ( 27068 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -7.1264 -7.1264 -6.9087 -6.9087 -6.4351 -6.4351 -6.4350 -6.4350 -1.2303 -1.2303 -1.0646 -1.0646 1.0902 1.0902 1.2480 1.2480 1.5024 1.5024 1.6450 1.6450 1.9229 1.9229 1.9646 1.9646 2.1146 2.1146 2.2527 2.2527 2.6152 2.6152 2.7663 2.7663 5.5957 5.5957 5.6883 5.6884 5.8932 5.8932 5.8941 5.8941 k = 0.4630 0.3510 0.0000 ( 27048 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -7.0916 -7.0916 -6.9462 -6.9462 -6.4355 -6.4355 -6.4354 -6.4354 -1.2038 -1.2038 -1.0934 -1.0934 1.1292 1.1292 1.2391 1.2391 1.5276 1.5276 1.6241 1.6241 1.9323 1.9323 1.9654 1.9654 2.1376 2.1376 2.2295 2.2295 2.6287 2.6287 2.7318 2.7318 5.5957 5.5957 5.6570 5.6570 5.8660 5.8660 5.8668 5.8668 k = 0.4815 0.3651 0.0000 ( 27052 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -7.0562 -7.0562 -6.9834 -6.9834 -6.4357 -6.4357 -6.4356 -6.4356 -1.1769 -1.1769 -1.1218 -1.1218 1.1652 1.1652 1.2217 1.2217 1.5521 1.5521 1.6007 1.6007 1.9435 1.9435 1.9617 1.9617 2.1602 2.1602 2.2060 2.2060 2.6483 2.6483 2.7004 2.7004 5.6015 5.6015 5.6320 5.6320 5.8497 5.8497 5.8502 5.8502 k = 0.5000 0.3791 0.0000 ( 27060 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -7.0200 -7.0200 -7.0200 -7.0200 -6.4357 -6.4357 -6.4357 -6.4357 -1.1496 -1.1496 -1.1496 -1.1496 1.1966 1.1966 1.1966 1.1966 1.5765 1.5765 1.5765 1.5765 1.9539 1.9539 1.9539 1.9539 2.1829 2.1829 2.1829 2.1829 2.6724 2.6724 2.6724 2.6724 5.6135 5.6135 5.6135 5.6135 5.8444 5.8444 5.8444 5.8444 k = 0.5000 0.3791 0.0000 ( 27060 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -7.0200 -7.0200 -7.0200 -7.0200 -6.4357 -6.4357 -6.4357 -6.4357 -1.1496 -1.1496 -1.1496 -1.1496 1.1966 1.1966 1.1966 1.1966 1.5765 1.5765 1.5765 1.5765 1.9539 1.9539 1.9539 1.9539 2.1829 2.1829 2.1829 2.1829 2.6724 2.6724 2.6724 2.6724 5.6135 5.6135 5.6135 5.6135 5.8444 5.8444 5.8444 5.8444 k = 0.4901 0.3921 0.0164 ( 27048 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -7.0197 -7.0196 -7.0195 -7.0195 -6.4370 -6.4370 -6.4355 -6.4355 -1.1518 -1.1485 -1.1473 -1.1468 1.1663 1.1930 1.1962 1.2214 1.5427 1.5691 1.5790 1.6076 1.9293 1.9517 1.9521 1.9779 2.1634 2.1635 2.2056 2.2060 2.6661 2.6718 2.6733 2.6809 5.6127 5.6175 5.6185 5.6188 5.8450 5.8493 5.8499 5.8504 k = 0.4802 0.4052 0.0328 ( 27056 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -7.0185 -7.0185 -7.0179 -7.0178 -6.4408 -6.4408 -6.4350 -6.4350 -1.1539 -1.1449 -1.1437 -1.1404 1.1315 1.1851 1.1917 1.2396 1.5068 1.5589 1.5753 1.6355 1.9049 1.9451 1.9470 2.0002 2.1463 2.1466 2.2324 2.2331 2.6603 2.6704 2.6764 2.6928 5.6153 5.6249 5.6336 5.6341 5.8522 5.8623 5.8653 5.8660 k = 0.4703 0.4183 0.0491 ( 27041 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -7.0166 -7.0165 -7.0151 -7.0151 -6.4471 -6.4471 -6.4341 -6.4341 -1.1560 -1.1425 -1.1352 -1.1303 1.0931 1.1729 1.1831 1.2498 1.4694 1.5486 1.5652 1.6598 1.8817 1.9343 1.9393 2.0206 2.1299 2.1310 2.2629 2.2637 2.6540 2.6678 2.6834 2.7087 5.6213 5.6355 5.6587 5.6593 5.8656 5.8811 5.8911 5.8925 k = 0.4604 0.4313 0.0655 ( 27039 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -7.0140 -7.0138 -7.0113 -7.0112 -6.4558 -6.4558 -6.4329 -6.4328 -1.1581 -1.1401 -1.1232 -1.1166 1.0520 1.1565 1.1707 1.2511 1.4311 1.5405 1.5492 1.6796 1.8605 1.9199 1.9298 2.0384 2.1134 2.1159 2.2954 2.2968 2.6477 2.6645 2.6947 2.7287 5.6307 5.6493 5.6933 5.6939 5.8850 5.9058 5.9270 5.9290 k = 0.4505 0.4444 0.0819 ( 27039 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -7.0107 -7.0105 -7.0065 -7.0063 -6.4668 -6.4668 -6.4314 -6.4312 -1.1602 -1.1377 -1.1079 -1.0994 1.0089 1.1361 1.1544 1.2431 1.3926 1.5284 1.5362 1.6938 1.8419 1.9026 1.9194 2.0514 2.0963 2.1026 2.3275 2.3305 2.6426 2.6615 2.7106 2.7529 5.6434 5.6662 5.7371 5.7373 5.9100 5.9361 5.9724 5.9752 k = 0.4406 0.4574 0.0983 ( 27039 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -7.0067 -7.0065 -7.0005 -7.0004 -6.4800 -6.4799 -6.4295 -6.4293 -1.1624 -1.1356 -1.0895 -1.0790 0.9646 1.1120 1.1346 1.2263 1.3545 1.5040 1.5359 1.7008 1.8264 1.8834 1.9096 2.0515 2.0783 2.0990 2.3558 2.3629 2.6411 2.6603 2.7309 2.7807 5.6593 5.6862 5.7888 5.7893 5.9403 5.9713 6.0269 6.0306 k = 0.4307 0.4705 0.1147 ( 27027 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -7.0022 -7.0019 -6.9935 -6.9933 -6.4952 -6.4951 -6.4272 -6.4270 -1.1647 -1.1337 -1.0683 -1.0557 0.9198 1.0849 1.1115 1.2023 1.3173 1.4767 1.5387 1.6996 1.8130 1.8632 1.9024 2.0348 2.0598 2.1091 2.3764 2.3912 2.6460 2.6631 2.7553 2.8118 5.6782 5.7091 5.8477 5.8492 5.9752 6.0110 6.0900 6.0947 k = 0.4208 0.4835 0.1310 ( 27011 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9972 -6.9969 -6.9856 -6.9853 -6.5121 -6.5120 -6.4247 -6.4245 -1.1673 -1.1321 -1.0445 -1.0296 0.8750 1.0555 1.0859 1.1732 1.2810 1.4471 1.5431 1.6907 1.7996 1.8429 1.8998 2.0098 2.0413 2.1247 2.3861 2.4125 2.6598 2.6722 2.7830 2.8453 5.7001 5.7349 5.9131 5.9159 6.0143 6.0543 6.1611 6.1668 k = 0.4109 0.4966 0.1474 ( 27023 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9920 -6.9916 -6.9766 -6.9763 -6.5306 -6.5305 -6.4219 -6.4216 -1.1703 -1.1311 -1.0186 -1.0012 0.8308 1.0247 1.0583 1.1408 1.2456 1.4156 1.5474 1.6757 1.7836 1.8236 1.9023 1.9807 2.0240 2.1425 2.3843 2.4251 2.6825 2.6892 2.8135 2.8805 5.7245 5.7634 5.9838 5.9886 6.0570 6.1005 6.2395 6.2464 k = 0.4010 0.5096 0.1638 ( 27019 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9865 -6.9861 -6.9666 -6.9663 -6.5503 -6.5502 -6.4188 -6.4185 -1.1737 -1.1308 -0.9909 -0.9708 0.7878 0.9932 1.0296 1.1068 1.2108 1.3824 1.5499 1.6566 1.7643 1.8065 1.9086 1.9492 2.0091 2.1616 2.3728 2.4294 2.7119 2.7137 2.8457 2.9165 5.7513 5.7943 6.0587 6.0662 6.1031 6.1489 6.3245 6.3327 k = 0.3911 0.5227 0.1802 ( 26997 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9811 -6.9806 -6.9558 -6.9554 -6.5710 -6.5707 -6.4154 -6.4151 -1.1778 -1.1312 -0.9618 -0.9388 0.7465 0.9616 1.0005 1.0727 1.1768 1.3477 1.5487 1.6345 1.7418 1.7922 1.9166 1.9170 1.9978 2.1820 2.3542 2.4274 2.7436 2.7450 2.8788 2.9525 5.7803 5.8275 6.1350 6.1475 6.1533 6.1986 6.4154 6.4249 k = 0.3812 0.5357 0.1966 ( 26983 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9760 -6.9755 -6.9440 -6.9437 -6.5921 -6.5918 -6.4118 -6.4115 -1.1825 -1.1326 -0.9319 -0.9057 0.7072 0.9305 0.9718 1.0394 1.1439 1.3119 1.5427 1.6102 1.7165 1.7799 1.8868 1.9244 1.9914 2.2036 2.3312 2.4220 2.7765 2.7794 2.9120 2.9877 5.8110 5.8627 6.1974 6.2213 6.2311 6.2492 6.5113 6.5221 k = 0.3713 0.5488 0.2130 ( 26993 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9717 -6.9711 -6.9314 -6.9310 -6.6131 -6.6128 -6.4080 -6.4076 -1.1880 -1.1351 -0.9016 -0.8719 0.6704 0.8999 0.9439 1.0075 1.1127 1.2754 1.5316 1.5843 1.6886 1.7653 1.8634 1.9310 1.9901 2.2257 2.3061 2.4158 2.8101 2.8130 2.9443 3.0213 5.8431 5.8995 6.2500 6.2991 6.3007 6.3165 6.6114 6.6233 k = 0.3614 0.5618 0.2293 ( 26991 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9685 -6.9678 -6.9179 -6.9175 -6.6336 -6.6332 -6.4039 -6.4036 -1.1944 -1.1389 -0.8714 -0.8379 0.6363 0.8700 0.9173 0.9775 1.0842 1.2389 1.5161 1.5575 1.6588 1.7428 1.8525 1.9355 1.9935 2.2435 2.2854 2.4108 2.8427 2.8444 2.9750 3.0526 5.8765 5.9376 6.3025 6.3491 6.3798 6.4005 6.7148 6.7275 k = 0.3515 0.5749 0.2457 ( 27003 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9671 -6.9663 -6.9037 -6.9033 -6.6526 -6.6522 -6.3997 -6.3993 -1.2018 -1.1442 -0.8418 -0.8042 0.6051 0.8405 0.8924 0.9498 1.0594 1.2029 1.4972 1.5301 1.6278 1.7115 1.8539 1.9370 2.0013 2.2355 2.2919 2.4089 2.8726 2.8732 3.0034 3.0810 5.9107 5.9766 6.3553 6.3981 6.4560 6.4823 6.8203 6.8333 k = 0.3416 0.5879 0.2621 ( 27003 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9681 -6.9673 -6.8888 -6.8884 -6.6696 -6.6690 -6.3953 -6.3949 -1.2102 -1.1509 -0.8132 -0.7712 0.5771 0.8109 0.8693 0.9246 1.0394 1.1681 1.4763 1.5028 1.5965 1.6752 1.8625 1.9344 2.0136 2.2113 2.3174 2.4112 2.8966 2.9004 3.0287 3.1060 5.9456 6.0161 6.4082 6.4457 6.5271 6.5597 6.9267 6.9396 k = 0.3318 0.6010 0.2785 ( 26983 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9723 -6.9715 -6.8732 -6.8727 -6.6835 -6.6829 -6.3908 -6.3904 -1.2198 -1.1592 -0.7860 -0.7395 0.5523 0.7808 0.8478 0.9025 1.0249 1.1351 1.4545 1.4759 1.5660 1.6371 1.8735 1.9268 2.0304 2.1870 2.3475 2.4183 2.9158 2.9237 3.0505 3.1271 5.9810 6.0559 6.4607 6.4919 6.5913 6.6309 7.0329 7.0447 k = 0.3219 0.6141 0.2949 ( 26975 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9803 -6.9794 -6.8570 -6.8565 -6.6936 -6.6930 -6.3862 -6.3858 -1.2306 -1.1692 -0.7607 -0.7094 0.5308 0.7499 0.8277 0.8838 1.0161 1.1046 1.4326 1.4498 1.5373 1.5990 1.8830 1.9142 2.0514 2.1671 2.3802 2.4304 2.9296 2.9422 3.0682 3.1439 6.0166 6.0955 6.5125 6.5365 6.6470 6.6941 7.1375 7.1472 k = 0.3219 0.6141 0.2949 ( 26975 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9803 -6.9794 -6.8570 -6.8565 -6.6936 -6.6930 -6.3862 -6.3858 -1.2306 -1.1692 -0.7607 -0.7094 0.5308 0.7499 0.8277 0.8838 1.0161 1.1046 1.4326 1.4498 1.5373 1.5990 1.8830 1.9142 2.0514 2.1671 2.3802 2.4304 2.9296 2.9422 3.0682 3.1439 6.0166 6.0955 6.5125 6.5365 6.6470 6.6941 7.1375 7.1472 k = 0.3017 0.6081 0.3023 ( 26983 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9876 -6.9867 -6.8482 -6.8477 -6.6954 -6.6948 -6.3843 -6.3838 -1.2366 -1.1757 -0.7484 -0.6955 0.5205 0.7292 0.8244 0.8754 1.0135 1.0905 1.4242 1.4413 1.5236 1.5821 1.8868 1.9106 2.0603 2.1623 2.3946 2.4374 2.9266 2.9360 3.0865 3.1552 6.0354 6.1165 6.5379 6.5584 6.6660 6.7152 7.1848 7.1988 k = 0.2816 0.6022 0.3097 ( 26994 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9983 -6.9975 -6.8393 -6.8389 -6.6927 -6.6921 -6.3827 -6.3823 -1.2443 -1.1849 -0.7338 -0.6807 0.5079 0.7002 0.8269 0.8656 1.0106 1.0764 1.4181 1.4382 1.5079 1.5661 1.8920 1.9130 2.0661 2.1623 2.4073 2.4456 2.9077 2.9168 3.1155 3.1724 6.0593 6.1438 6.5673 6.5844 6.6783 6.7273 7.2349 7.2564 k = 0.2615 0.5963 0.3172 ( 26997 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -7.0105 -7.0098 -6.8330 -6.8327 -6.6850 -6.6843 -6.3817 -6.3812 -1.2531 -1.1962 -0.7174 -0.6653 0.4934 0.6679 0.8287 0.8550 1.0060 1.0661 1.4112 1.4369 1.4945 1.5542 1.8994 1.9204 2.0691 2.1657 2.4188 2.4548 2.8777 2.8953 3.1434 3.1906 6.0885 6.1770 6.5992 6.6143 6.6873 6.7338 7.2876 7.3158 k = 0.2414 0.5904 0.3246 ( 27004 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4180 -7.0232 -7.0225 -6.8302 -6.8299 -6.6725 -6.6719 -6.3812 -6.3807 -1.2628 -1.2091 -0.6998 -0.6496 0.4774 0.6342 0.8243 0.8463 0.9998 1.0622 1.3986 1.4306 1.4907 1.5502 1.9092 1.9315 2.0696 2.1708 2.4298 2.4652 2.8445 2.8708 3.1652 3.2069 6.1227 6.2159 6.6305 6.6478 6.6971 6.7383 7.3417 7.3754 k = 0.2213 0.5844 0.3320 ( 27005 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.0355 -7.0349 -6.8303 -6.8301 -6.6564 -6.6558 -6.3813 -6.3808 -1.2730 -1.2230 -0.6815 -0.6338 0.4602 0.6000 0.8131 0.8391 0.9944 1.0641 1.3788 1.4165 1.4997 1.5558 1.9207 1.9454 2.0682 2.1763 2.4412 2.4770 2.8101 2.8446 3.1791 3.2194 6.1618 6.2600 6.6540 6.6833 6.7124 6.7474 7.3965 7.4349 k = 0.2012 0.5785 0.3395 ( 27006 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.0473 -7.0468 -6.8325 -6.8323 -6.6380 -6.6374 -6.3820 -6.3816 -1.2833 -1.2374 -0.6627 -0.6182 0.4424 0.5660 0.7990 0.8299 0.9924 1.0696 1.3539 1.3979 1.5169 1.5697 1.9330 1.9605 2.0660 2.1810 2.4539 2.4901 2.7756 2.8180 3.1845 3.2270 6.2053 6.3088 6.6650 6.7135 6.7329 6.7749 7.4516 7.4944 k = 0.1810 0.5726 0.3469 ( 26999 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.0583 -7.0578 -6.8359 -6.8357 -6.6183 -6.6178 -6.3836 -6.3831 -1.2934 -1.2518 -0.6441 -0.6032 0.4243 0.5327 0.7847 0.8176 0.9944 1.0769 1.3271 1.3776 1.5390 1.5897 1.9449 1.9745 2.0649 2.1844 2.4687 2.5041 2.7416 2.7921 3.1821 3.2288 6.2525 6.3613 6.6690 6.7210 6.7725 6.8189 7.5067 7.5540 k = 0.1609 0.5667 0.3543 ( 26997 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.0684 -7.0679 -6.8398 -6.8396 -6.5984 -6.5978 -6.3859 -6.3854 -1.3030 -1.2659 -0.6259 -0.5890 0.4065 0.5007 0.7712 0.8034 0.9994 1.0848 1.3005 1.3572 1.5642 1.6137 1.9547 1.9839 2.0684 2.1869 2.4857 2.5182 2.7087 2.7684 3.1726 3.2242 6.3026 6.4167 6.6702 6.7230 6.8189 6.8696 7.5612 7.6139 k = 0.1408 0.5607 0.3618 ( 27003 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.0774 -7.0770 -6.8438 -6.8437 -6.5786 -6.5781 -6.3890 -6.3886 -1.3118 -1.2794 -0.6085 -0.5759 0.3896 0.4705 0.7589 0.7887 1.0065 1.0925 1.2756 1.3373 1.5915 1.6403 1.9597 1.9863 2.0799 2.1895 2.5038 2.5311 2.6780 2.7487 3.1574 3.2135 6.3542 6.4735 6.6699 6.7248 6.8682 6.9228 7.6144 7.6734 k = 0.1207 0.5548 0.3692 ( 27024 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.0853 -7.0850 -6.8477 -6.8476 -6.5595 -6.5590 -6.3930 -6.3925 -1.3197 -1.2919 -0.5923 -0.5641 0.3742 0.4426 0.7481 0.7743 1.0149 1.0994 1.2534 1.3183 1.6202 1.6685 1.9566 1.9834 2.0986 2.1935 2.5190 2.5419 2.6518 2.7356 3.1378 3.1972 6.4059 6.5300 6.6685 6.7275 6.9188 6.9762 7.6649 7.7311 k = 0.1006 0.5489 0.3766 ( 27024 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.0921 -7.0918 -6.8512 -6.8511 -6.5415 -6.5410 -6.3978 -6.3973 -1.3263 -1.3032 -0.5775 -0.5539 0.3610 0.4173 0.7390 0.7610 1.0241 1.1043 1.2352 1.3005 1.6497 1.6976 1.9451 1.9770 2.1215 2.2000 2.5245 2.5493 2.6361 2.7307 3.1156 3.1762 6.4558 6.5839 6.6662 6.7316 6.9697 7.0273 7.7114 7.7842 k = 0.0805 0.5430 0.3841 ( 27040 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.0977 -7.0975 -6.8542 -6.8541 -6.5249 -6.5245 -6.4032 -6.4028 -1.3316 -1.3131 -0.5645 -0.5456 0.3503 0.3951 0.7316 0.7492 1.0339 1.1063 1.2224 1.2838 1.6794 1.7266 1.9284 1.9662 2.1463 2.2087 2.5192 2.5452 2.6396 2.7331 3.0930 3.1520 6.5018 6.6313 6.6642 6.7369 7.0192 7.0738 7.7523 7.8273 k = 0.0603 0.5371 0.3915 ( 27029 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.1020 -7.1019 -6.8567 -6.8566 -6.5102 -6.5098 -6.4091 -6.4087 -1.3353 -1.3214 -0.5536 -0.5394 0.3428 0.3763 0.7261 0.7392 1.0443 1.1041 1.2159 1.2682 1.7089 1.7541 1.9098 1.9506 2.1708 2.2182 2.5083 2.5303 2.6591 2.7390 3.0732 3.1261 6.5421 6.6509 6.6811 6.7430 7.0653 7.1127 7.7867 7.8545 k = 0.0402 0.5311 0.3989 ( 27029 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.1052 -7.1051 -6.8584 -6.8584 -6.4980 -6.4977 -6.4147 -6.4144 -1.3374 -1.3282 -0.5450 -0.5355 0.3388 0.3610 0.7226 0.7314 1.0552 1.0978 1.2158 1.2538 1.7372 1.7771 1.8930 1.9313 2.1933 2.2258 2.4972 2.5131 2.6842 2.7429 3.0596 3.1007 6.5753 6.6452 6.7120 6.7484 7.1054 7.1407 7.8145 7.8648 k = 0.0201 0.5252 0.4064 ( 27028 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.1070 -7.1070 -6.8595 -6.8595 -6.4896 -6.4894 -6.4192 -6.4190 -1.3378 -1.3332 -0.5388 -0.5340 0.3385 0.3496 0.7214 0.7257 1.0664 1.0885 1.2209 1.2408 1.7629 1.7888 1.8850 1.9106 2.2117 2.2284 2.4904 2.4990 2.7086 2.7400 3.0555 3.0783 6.6013 6.6350 6.7344 6.7507 7.1359 7.1549 7.8362 7.8626 k = 0.0000 0.5193 0.4138 ( 27018 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.1076 -7.1076 -6.8598 -6.8598 -6.4864 -6.4864 -6.4209 -6.4209 -1.3364 -1.3364 -0.5351 -0.5351 0.3420 0.3420 0.7224 0.7224 1.0777 1.0777 1.2296 1.2296 1.7825 1.7825 1.8926 1.8926 2.2238 2.2238 2.4909 2.4909 2.7283 2.7283 3.0623 3.0623 6.6208 6.6208 6.7469 6.7469 7.1532 7.1532 7.8523 7.8523 k = 0.0000 0.5193 0.4138 ( 27018 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.1076 -7.1076 -6.8598 -6.8598 -6.4864 -6.4864 -6.4209 -6.4209 -1.3364 -1.3364 -0.5351 -0.5351 0.3420 0.3420 0.7224 0.7224 1.0777 1.0777 1.2296 1.2296 1.7825 1.7825 1.8926 1.8926 2.2238 2.2238 2.4909 2.4909 2.7283 2.7283 3.0623 3.0623 6.6208 6.6208 6.7469 6.7469 7.1532 7.1532 7.8523 7.8523 k = 0.0096 0.5066 0.4297 ( 27018 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.1071 -7.1071 -6.8595 -6.8595 -6.4869 -6.4869 -6.4212 -6.4212 -1.3391 -1.3356 -0.5406 -0.5363 0.3408 0.3438 0.7229 0.7243 1.0744 1.0860 1.2236 1.2282 1.7818 1.7867 1.8879 1.9055 2.2249 2.2255 2.4899 2.4942 2.7220 2.7360 3.0591 3.0649 6.6158 6.6193 6.7383 6.7449 7.1526 7.1560 7.8405 7.8561 k = 0.0192 0.4939 0.4456 ( 27020 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.1056 -7.1055 -6.8585 -6.8585 -6.4884 -6.4883 -6.4222 -6.4222 -1.3436 -1.3367 -0.5527 -0.5443 0.3396 0.3459 0.7259 0.7284 1.0757 1.0994 1.2107 1.2199 1.7856 1.7931 1.8923 1.9250 2.2288 2.2299 2.4912 2.4998 2.7170 2.7452 3.0554 3.0669 6.6040 6.6116 6.7201 6.7327 7.1544 7.1609 7.8219 7.8509 k = 0.0288 0.4812 0.4615 ( 27028 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.1030 -7.1030 -6.8569 -6.8568 -6.4908 -6.4907 -6.4239 -6.4239 -1.3498 -1.3396 -0.5708 -0.5585 0.3380 0.3480 0.7313 0.7343 1.0811 1.1171 1.1928 1.2071 1.7944 1.8016 1.9048 1.9492 2.2352 2.2369 2.4945 2.5078 2.7135 2.7560 3.0510 3.0684 6.5844 6.5976 6.6944 6.7117 7.1589 7.1678 7.7981 7.8374 k = 0.0385 0.4686 0.4775 ( 27020 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.0995 -7.0994 -6.8545 -6.8544 -6.4942 -6.4941 -6.4263 -6.4262 -1.3574 -1.3441 -0.5943 -0.5785 0.3352 0.3491 0.7389 0.7415 1.0885 1.1357 1.1737 1.1957 1.8077 1.8128 1.9229 1.9766 2.2441 2.2466 2.4998 2.5180 2.7114 2.7683 3.0460 3.0694 6.5562 6.5772 6.6643 6.6841 7.1661 7.1770 7.7704 7.8166 k = 0.0481 0.4559 0.4934 ( 27018 PWs) bands (ev): -41.4183 -41.4183 -41.4180 -41.4180 -7.0949 -7.0947 -6.8516 -6.8515 -6.4985 -6.4984 -6.4294 -6.4293 -1.3663 -1.3500 -0.6225 -0.6035 0.3304 0.3486 0.7481 0.7487 1.0917 1.1426 1.1619 1.2013 1.8248 1.8273 1.9442 2.0059 2.2554 2.2585 2.5069 2.5301 2.7108 2.7823 3.0404 3.0698 6.5189 6.5502 6.6326 6.6524 7.1762 7.1885 7.7395 7.7903 k = 0.0577 0.4432 0.5093 ( 27036 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.0893 -7.0892 -6.8480 -6.8479 -6.5037 -6.5036 -6.4330 -6.4329 -1.3760 -1.3571 -0.6544 -0.6328 0.3232 0.3457 0.7539 0.7575 1.0827 1.1351 1.1681 1.2299 1.8447 1.8453 1.9666 2.0358 2.2687 2.2725 2.5155 2.5437 2.7121 2.7979 3.0340 3.0696 6.4734 6.5166 6.6006 6.6188 7.1891 7.2023 7.7065 7.7596 k = 0.0673 0.4305 0.5252 ( 27056 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.0828 -7.0826 -6.8439 -6.8437 -6.5097 -6.5096 -6.4374 -6.4372 -1.3864 -1.3650 -0.6894 -0.6654 0.3135 0.3400 0.7544 0.7648 1.0678 1.1289 1.1895 1.2694 1.8664 1.8664 1.9888 2.0658 2.2839 2.2882 2.5255 2.5579 2.7156 2.8149 3.0269 3.0689 6.4219 6.4772 6.5684 6.5847 7.2046 7.2184 7.6720 7.7259 k = 0.0769 0.4178 0.5411 ( 27046 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.0753 -7.0751 -6.8392 -6.8390 -6.5166 -6.5165 -6.4423 -6.4422 -1.3969 -1.3733 -0.7267 -0.7008 0.3016 0.3315 0.7473 0.7661 1.0578 1.1319 1.2192 1.3147 1.8894 1.8902 2.0097 2.0949 2.3007 2.3054 2.5367 2.5722 2.7215 2.8331 3.0189 3.0677 6.3669 6.4336 6.5355 6.5504 7.2227 7.2369 7.6367 7.6903 k = 0.0865 0.4051 0.5570 ( 27050 PWs) bands (ev): -41.4182 -41.4182 -41.4180 -41.4180 -7.0669 -7.0667 -6.8341 -6.8338 -6.5242 -6.5241 -6.4479 -6.4477 -1.4074 -1.3819 -0.7657 -0.7382 0.2877 0.3204 0.7314 0.7581 1.0595 1.1469 1.2538 1.3642 1.9129 1.9160 2.0288 2.1227 2.3187 2.3238 2.5490 2.5857 2.7301 2.8521 3.0101 3.0659 6.3102 6.3875 6.5014 6.5158 7.2434 7.2577 7.6013 7.6536 k = 0.0962 0.3925 0.5729 ( 27042 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4180 -7.0577 -7.0574 -6.8285 -6.8283 -6.5326 -6.5325 -6.4540 -6.4539 -1.4175 -1.3902 -0.8059 -0.7770 0.2726 0.3073 0.7072 0.7393 1.0751 1.1739 1.2917 1.4166 1.9367 1.9430 2.0460 2.1487 2.3376 2.3431 2.5623 2.5979 2.7412 2.8714 3.0004 3.0637 6.2536 6.3406 6.4660 6.4805 7.2665 7.2807 7.5663 7.6168 k = 0.1058 0.3798 0.5889 ( 27040 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -7.0475 -7.0472 -6.8226 -6.8223 -6.5416 -6.5414 -6.4607 -6.4606 -1.4268 -1.3981 -0.8468 -0.8167 0.2568 0.2928 0.6765 0.7117 1.1033 1.2110 1.3317 1.4712 1.9606 1.9700 2.0615 2.1723 2.3570 2.3630 2.5766 2.6086 2.7544 2.8905 2.9898 3.0611 6.1981 6.2942 6.4292 6.4446 7.2920 7.3059 7.5322 7.5805 k = 0.1154 0.3671 0.6048 ( 27040 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -7.0366 -7.0363 -6.8165 -6.8161 -6.5510 -6.5509 -6.4680 -6.4678 -1.4352 -1.4052 -0.8879 -0.8568 0.2408 0.2776 0.6415 0.6782 1.1410 1.2561 1.3730 1.5270 1.9844 1.9955 2.0760 2.1932 2.3766 2.3834 2.5919 2.6179 2.7686 2.9088 2.9783 3.0581 6.1449 6.2492 6.3911 6.4081 7.3200 7.3333 7.4997 7.5455 k = 0.1250 0.3544 0.6207 ( 27034 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -7.0249 -7.0246 -6.8102 -6.8098 -6.5609 -6.5607 -6.4758 -6.4755 -1.4424 -1.4112 -0.9289 -0.8970 0.2253 0.2624 0.6039 0.6413 1.1856 1.3072 1.4148 1.5832 2.0081 2.0175 2.0911 2.2111 2.3963 2.4040 2.6082 2.6264 2.7828 2.9254 2.9662 3.0550 6.0946 6.2063 6.3520 6.3713 7.3503 7.3627 7.4694 7.5125 k = 0.1346 0.3417 0.6366 ( 27028 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -7.0125 -7.0122 -6.8039 -6.8035 -6.5710 -6.5708 -6.4840 -6.4838 -1.4481 -1.4159 -0.9695 -0.9370 0.2107 0.2476 0.5651 0.6030 1.2350 1.3626 1.4564 1.6392 2.0315 2.0335 2.1081 2.2259 2.4160 2.4245 2.6255 2.6343 2.7954 2.9399 2.9537 3.0518 6.0479 6.1661 6.3120 6.3343 7.3822 7.3934 7.4423 7.4824 k = 0.1442 0.3290 0.6525 ( 27020 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9995 -6.9991 -6.7979 -6.7975 -6.5810 -6.5808 -6.4927 -6.4924 -1.4522 -1.4192 -1.0094 -0.9764 0.1973 0.2338 0.5261 0.5643 1.2877 1.4211 1.4973 1.6942 2.0426 2.0544 2.1271 2.2374 2.4358 2.4447 2.6420 2.6438 2.8052 2.9414 2.9517 3.0486 6.0053 6.1289 6.2715 6.2977 7.4049 7.4221 7.4294 7.4584 k = 0.1538 0.3164 0.6684 ( 27030 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9858 -6.9854 -6.7924 -6.7920 -6.5908 -6.5906 -6.5017 -6.5015 -1.4545 -1.4208 -1.0484 -1.0150 0.1857 0.2213 0.4875 0.5262 1.3425 1.4814 1.5370 1.7477 2.0459 2.0766 2.1461 2.2458 2.4560 2.4645 2.6497 2.6631 2.8108 2.9301 2.9603 3.0455 5.9672 6.0951 6.2310 6.2617 7.3899 7.4220 7.4588 7.4670 k = 0.1635 0.3037 0.6844 ( 27032 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9717 -6.9712 -6.7878 -6.7873 -6.5999 -6.5998 -6.5111 -6.5109 -1.4549 -1.4205 -1.0864 -1.0526 0.1759 0.2105 0.4499 0.4892 1.3984 1.5425 1.5752 1.7989 2.0445 2.0975 2.1629 2.2514 2.4769 2.4836 2.6576 2.6834 2.8107 2.9207 2.9658 3.0421 5.9339 6.0649 6.1908 6.2268 7.3723 7.4032 7.4942 7.4961 k = 0.1731 0.2910 0.7003 ( 27040 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9570 -6.9566 -6.7844 -6.7839 -6.6080 -6.6078 -6.5208 -6.5206 -1.4532 -1.4183 -1.1230 -1.0889 0.1684 0.2016 0.4138 0.4539 1.4546 1.6036 1.6115 1.8475 2.0394 2.1164 2.1757 2.2547 2.4986 2.5019 2.6656 2.7047 2.8045 2.9136 2.9683 3.0380 5.9055 6.0383 6.1514 6.1934 7.3579 7.3863 7.5218 7.5260 k = 0.1827 0.2783 0.7162 ( 27030 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9420 -6.9415 -6.7827 -6.7822 -6.6145 -6.6144 -6.5307 -6.5305 -1.4495 -1.4141 -1.1581 -1.1239 0.1632 0.1949 0.3794 0.4205 1.5103 1.6455 1.6636 1.8928 2.0314 2.1323 2.1837 2.2561 2.5194 2.5209 2.6740 2.7271 2.7927 2.9083 2.9684 3.0326 5.8823 6.0155 6.1135 6.1621 7.3474 7.3732 7.5369 7.5466 k = 0.1923 0.2656 0.7321 ( 27034 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9267 -6.9262 -6.7833 -6.7827 -6.6190 -6.6188 -6.5408 -6.5406 -1.4435 -1.4077 -1.1916 -1.1573 0.1606 0.1903 0.3471 0.3896 1.5646 1.6771 1.7216 1.9346 2.0206 2.1442 2.1866 2.2563 2.5361 2.5432 2.6825 2.7503 2.7770 2.9037 2.9666 3.0255 5.8641 5.9965 6.0776 6.1332 7.3413 7.3642 7.5371 7.5491 k = 0.2019 0.2530 0.7480 ( 27028 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.9112 -6.9107 -6.7863 -6.7858 -6.6211 -6.6209 -6.5510 -6.5507 -1.4355 -1.3992 -1.2234 -1.1891 0.1606 0.1880 0.3169 0.3614 1.6165 1.7057 1.7764 1.9723 2.0076 2.1513 2.1849 2.2556 2.5522 2.5647 2.6906 2.7594 2.7745 2.8991 2.9634 3.0163 5.8508 5.9811 6.0443 6.1074 7.3396 7.3597 7.5237 7.5342 k = 0.2115 0.2403 0.7639 ( 27018 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8956 -6.8951 -6.7920 -6.7915 -6.6206 -6.6205 -6.5611 -6.5609 -1.4253 -1.3885 -1.2531 -1.2189 0.1633 0.1877 0.2892 0.3363 1.6650 1.7311 1.8267 1.9927 2.0051 2.1540 2.1797 2.2537 2.5680 2.5843 2.6965 2.7427 2.7992 2.8940 2.9590 3.0053 5.8421 5.9692 6.0144 6.0849 7.3425 7.3597 7.5017 7.5092 k = 0.2212 0.2276 0.7798 ( 27036 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8801 -6.8796 -6.8002 -6.7996 -6.6179 -6.6177 -6.5712 -6.5709 -1.4131 -1.3757 -1.2806 -1.2468 0.1688 0.1893 0.2641 0.3148 1.7084 1.7526 1.8711 1.9763 2.0314 2.1542 2.1726 2.2501 2.5839 2.6007 2.6949 2.7327 2.8241 2.8886 2.9531 2.9933 5.8373 5.9607 5.9887 6.0666 7.3500 7.3643 7.4762 7.4803 k = 0.2308 0.2149 0.7958 ( 27022 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8648 -6.8643 -6.8105 -6.8099 -6.6130 -6.6128 -6.5809 -6.5807 -1.3993 -1.3610 -1.3053 -1.2723 0.1770 0.1919 0.2418 0.2978 1.7438 1.7702 1.9072 1.9600 2.0491 2.1546 2.1656 2.2448 2.6000 2.6132 2.6825 2.7328 2.8481 2.8835 2.9448 2.9827 5.8355 5.9550 5.9686 6.0528 7.3621 7.3735 7.4503 7.4512 k = 0.2404 0.2022 0.8117 ( 27026 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8500 -6.8494 -6.8225 -6.8219 -6.6066 -6.6064 -6.5902 -6.5900 -1.3856 -1.3454 -1.3257 -1.2944 0.1875 0.1945 0.2228 0.2866 1.7657 1.7847 1.9319 1.9465 2.0574 2.1568 2.1603 2.2393 2.6153 2.6210 2.6668 2.7358 2.8687 2.8798 2.9340 2.9758 5.8355 5.9519 5.9555 6.0442 7.3785 7.3870 7.4240 7.4262 k = 0.2500 0.1895 0.8276 ( 27012 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8362 -6.8353 -6.8353 -6.8351 -6.5989 -6.5989 -6.5988 -6.5983 -1.3781 -1.3354 -1.3354 -1.3065 0.1956 0.1956 0.2119 0.2826 1.7721 1.7916 1.9409 1.9409 2.0593 2.1584 2.1584 2.2368 2.6236 2.6236 2.6580 2.7373 2.8784 2.8785 2.9274 2.9736 5.8357 5.9509 5.9509 6.0413 7.3960 7.4027 7.4027 7.4068 k = 0.2500 0.1895 0.8276 ( 27012 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8362 -6.8353 -6.8353 -6.8351 -6.5989 -6.5989 -6.5988 -6.5983 -1.3781 -1.3354 -1.3354 -1.3065 0.1956 0.1956 0.2119 0.2826 1.7721 1.7916 1.9409 1.9409 2.0593 2.1584 2.1584 2.2368 2.6236 2.6236 2.6580 2.7373 2.8784 2.8785 2.9274 2.9736 5.8357 5.9509 5.9509 6.0413 7.3960 7.4027 7.4027 7.4068 k = 0.2647 0.2007 0.8136 ( 27031 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8440 -6.8435 -6.8278 -6.8273 -6.6036 -6.6034 -6.5937 -6.5935 -1.3813 -1.3414 -1.3305 -1.3018 0.1942 0.1964 0.2183 0.2855 1.7657 1.7829 1.9191 1.9458 2.0622 2.1359 2.1896 2.2396 2.6163 2.6266 2.6610 2.7343 2.8658 2.8928 2.9344 2.9771 5.8338 5.9458 5.9547 6.0407 7.3867 7.3943 7.4136 7.4170 k = 0.2794 0.2118 0.7996 ( 27019 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8516 -6.8511 -6.8211 -6.8206 -6.6078 -6.6076 -6.5887 -6.5884 -1.3881 -1.3513 -1.3212 -1.2927 0.1943 0.2002 0.2318 0.2936 1.7484 1.7599 1.8864 1.9292 2.0681 2.1235 2.2253 2.2471 2.6051 2.6286 2.6669 2.7259 2.8560 2.9078 2.9532 2.9892 5.8281 5.9372 5.9593 6.0393 7.3783 7.3878 7.4275 7.4287 k = 0.2941 0.2230 0.7856 ( 27024 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8584 -6.8579 -6.8156 -6.8151 -6.6114 -6.6112 -6.5840 -6.5837 -1.3953 -1.3613 -1.3104 -1.2827 0.1988 0.2076 0.2491 0.3060 1.7220 1.7271 1.8475 1.8952 2.0747 2.1185 2.2573 2.2585 2.5933 2.6302 2.6725 2.7134 2.8511 2.9211 2.9804 3.0108 5.8185 5.9250 5.9651 6.0378 7.3738 7.3851 7.4409 7.4423 k = 0.3088 0.2341 0.7716 ( 27027 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8644 -6.8640 -6.8111 -6.8107 -6.6143 -6.6141 -6.5798 -6.5796 -1.4017 -1.3700 -1.2994 -1.2730 0.2078 0.2186 0.2694 0.3219 1.6877 1.6882 1.8049 1.8516 2.0813 2.1164 2.2673 2.2851 2.5817 2.6317 2.6765 2.6983 2.8515 2.9323 3.0133 3.0408 5.8062 5.9097 5.9720 6.0368 7.3733 7.3864 7.4541 7.4582 k = 0.3235 0.2453 0.7576 ( 27022 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8695 -6.8691 -6.8076 -6.8071 -6.6166 -6.6165 -6.5765 -6.5763 -1.4062 -1.3768 -1.2886 -1.2638 0.2208 0.2329 0.2922 0.3407 1.6442 1.6488 1.7604 1.8038 2.0874 2.1149 2.2750 2.3030 2.5707 2.6325 2.6786 2.6819 2.8566 2.9423 3.0499 3.0759 5.7925 5.8924 5.9797 6.0364 7.3769 7.3917 7.4684 7.4755 k = 0.3382 0.2564 0.7436 ( 27030 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8736 -6.8733 -6.8049 -6.8044 -6.6184 -6.6182 -6.5742 -6.5739 -1.4085 -1.3813 -1.2783 -1.2553 0.2375 0.2502 0.3171 0.3617 1.5987 1.6057 1.7149 1.7548 2.0928 2.1132 2.2791 2.3122 2.5600 2.6309 2.6664 2.6786 2.8656 2.9520 3.0880 3.1129 5.7793 5.8747 5.9880 6.0366 7.3846 7.4012 7.4841 7.4942 k = 0.3529 0.2676 0.7296 ( 27039 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8768 -6.8765 -6.8030 -6.8026 -6.6195 -6.6194 -6.5728 -6.5726 -1.4082 -1.3832 -1.2686 -1.2475 0.2571 0.2701 0.3434 0.3843 1.5530 1.5608 1.6695 1.7063 2.0972 2.1109 2.2793 2.3135 2.5495 2.6238 2.6551 2.6767 2.8775 2.9619 3.1254 3.1486 5.7685 5.8584 5.9965 6.0373 7.3964 7.4148 7.5010 7.5140 k = 0.3676 0.2787 0.7157 ( 27032 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8789 -6.8786 -6.8019 -6.8015 -6.6201 -6.6200 -6.5727 -6.5724 -1.4050 -1.3821 -1.2596 -1.2407 0.2791 0.2920 0.3705 0.4077 1.5087 1.5158 1.6252 1.6596 2.1003 2.1079 2.2759 2.3082 2.5391 2.6104 2.6486 2.6728 2.8917 2.9722 3.1599 3.1804 5.7618 5.8452 6.0051 6.0385 7.4122 7.4323 7.5184 7.5343 k = 0.3824 0.2899 0.7017 ( 27030 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8799 -6.8797 -6.8016 -6.8012 -6.6201 -6.6200 -6.5736 -6.5734 -1.3987 -1.3780 -1.2514 -1.2346 0.3028 0.3152 0.3974 0.4310 1.4671 1.4726 1.5828 1.6155 2.1021 2.1038 2.2692 2.2973 2.5288 2.5942 2.6436 2.6671 2.9075 2.9832 3.1893 3.2060 5.7607 5.8368 6.0136 6.0401 7.4317 7.4535 7.5358 7.5543 k = 0.3971 0.3010 0.6877 ( 27027 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8798 -6.8797 -6.8023 -6.8019 -6.6195 -6.6195 -6.5756 -6.5754 -1.3891 -1.3706 -1.2440 -1.2295 0.3274 0.3389 0.4234 0.4533 1.4296 1.4327 1.5432 1.5748 2.0983 2.1021 2.2595 2.2820 2.5187 2.5776 2.6376 2.6595 2.9247 2.9948 3.2118 3.2236 5.7665 5.8346 6.0220 6.0421 7.4545 7.4779 7.5518 7.5725 k = 0.4118 0.3122 0.6737 ( 27025 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8786 -6.8785 -6.8040 -6.8036 -6.6184 -6.6184 -6.5786 -6.5783 -1.3763 -1.3600 -1.2374 -1.2251 0.3523 0.3626 0.4473 0.4735 1.3976 1.3978 1.5073 1.5381 2.0914 2.1002 2.2471 2.2632 2.5094 2.5618 2.6300 2.6502 2.9428 3.0072 3.2259 3.2321 5.7799 5.8392 6.0303 6.0446 7.4797 7.5044 7.5653 7.5875 k = 0.4265 0.3233 0.6597 ( 27035 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8762 -6.8762 -6.8069 -6.8065 -6.6168 -6.6167 -6.5822 -6.5819 -1.3602 -1.3462 -1.2316 -1.2216 0.3767 0.3854 0.4681 0.4906 1.3690 1.3720 1.4759 1.5061 2.0829 2.0960 2.2322 2.2416 2.5011 2.5472 2.6208 2.6393 2.9617 3.0202 3.2307 3.2308 5.8009 5.8511 6.0385 6.0478 7.5059 7.5304 7.5751 7.5972 k = 0.4412 0.3345 0.6457 ( 27020 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8727 -6.8727 -6.8112 -6.8109 -6.6146 -6.6145 -6.5863 -6.5860 -1.3411 -1.3295 -1.2265 -1.2189 0.3999 0.4066 0.4849 0.5038 1.3474 1.3534 1.4501 1.4792 2.0729 2.0890 2.2152 2.2184 2.4943 2.5338 2.6104 2.6270 2.9812 3.0337 3.2198 3.2260 5.8290 5.8697 6.0469 6.0520 7.5298 7.5495 7.5829 7.6002 k = 0.4559 0.3456 0.6317 ( 27027 PWs) bands (ev): -41.4182 -41.4182 -41.4181 -41.4181 -6.8680 -6.8680 -6.8172 -6.8169 -6.6119 -6.6118 -6.5905 -6.5903 -1.3193 -1.3102 -1.2220 -1.2166 0.4211 0.4256 0.4975 0.5125 1.3335 1.3416 1.4309 1.4577 2.0613 2.0784 2.1946 2.1962 2.4891 2.5212 2.5995 2.6138 3.0010 3.0472 3.1999 3.2120 5.8626 5.8936 6.0558 6.0577 7.5443 7.5512 7.5915 7.5967 k = 0.4706 0.3568 0.6177 ( 27025 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8622 -6.8621 -6.8250 -6.8247 -6.6087 -6.6086 -6.5945 -6.5943 -1.2955 -1.2891 -1.2175 -1.2143 0.4391 0.4414 0.5064 0.5172 1.3268 1.3354 1.4198 1.4419 2.0485 2.0636 2.1718 2.1757 2.4853 2.5086 2.5894 2.6003 3.0205 3.0593 3.1732 3.1896 5.8995 5.9203 6.0661 6.0662 7.5368 7.5394 7.5878 7.5906 k = 0.4853 0.3679 0.6037 ( 27017 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8552 -6.8551 -6.8350 -6.8347 -6.6050 -6.6049 -6.5980 -6.5979 -1.2715 -1.2680 -1.2118 -1.2104 0.4524 0.4531 0.5133 0.5193 1.3264 1.3323 1.4186 1.4319 2.0345 2.0438 2.1511 2.1544 2.4822 2.4946 2.5818 2.5878 3.0383 3.0647 3.1458 3.1614 5.9360 5.9463 6.0789 6.0795 7.5110 7.5145 7.5690 7.5717 k = 0.5000 0.3791 0.5897 ( 27028 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8475 -6.8475 -6.8466 -6.8466 -6.6010 -6.6010 -6.6005 -6.6005 -1.2514 -1.2514 -1.2010 -1.2010 0.4588 0.4588 0.5213 0.5213 1.3299 1.3299 1.4279 1.4279 2.0193 2.0193 2.1331 2.1331 2.4784 2.4784 2.5779 2.5779 3.0490 3.0490 3.1335 3.1335 5.9675 5.9675 6.0979 6.0979 7.4763 7.4763 7.5367 7.5367 k = 0.5000 0.3791 0.5897 ( 27028 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8475 -6.8475 -6.8466 -6.8466 -6.6010 -6.6010 -6.6005 -6.6005 -1.2514 -1.2514 -1.2010 -1.2010 0.4588 0.4588 0.5213 0.5213 1.3299 1.3299 1.4279 1.4279 2.0193 2.0193 2.1331 2.1331 2.4784 2.4784 2.5779 2.5779 3.0490 3.0490 3.1335 3.1335 5.9675 5.9675 6.0979 6.0979 7.4763 7.4763 7.5367 7.5367 k = 0.5000 0.3791 0.5670 ( 27024 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8517 -6.8517 -6.8509 -6.8509 -6.5988 -6.5988 -6.5983 -6.5983 -1.2283 -1.2283 -1.1769 -1.1769 0.4634 0.4634 0.5322 0.5322 1.3320 1.3320 1.4388 1.4388 1.9852 1.9852 2.1032 2.1032 2.4606 2.4606 2.5699 2.5699 3.0264 3.0264 3.1138 3.1138 6.0030 6.0030 6.1319 6.1319 7.4030 7.4030 7.4622 7.4622 k = 0.5000 0.3791 0.5444 ( 27032 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8569 -6.8569 -6.8561 -6.8561 -6.5956 -6.5956 -6.5951 -6.5951 -1.2054 -1.2054 -1.1531 -1.1531 0.4694 0.4694 0.5448 0.5448 1.3344 1.3344 1.4502 1.4502 1.9523 1.9523 2.0748 2.0748 2.4428 2.4428 2.5617 2.5617 3.0029 3.0029 3.0932 3.0932 6.0353 6.0353 6.1622 6.1622 7.3205 7.3205 7.3756 7.3756 k = 0.5000 0.3791 0.5217 ( 27020 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8629 -6.8629 -6.8621 -6.8621 -6.5914 -6.5914 -6.5910 -6.5910 -1.1831 -1.1831 -1.1300 -1.1300 0.4772 0.4772 0.5593 0.5593 1.3372 1.3372 1.4619 1.4619 1.9212 1.9212 2.0482 2.0482 2.4252 2.4252 2.5533 2.5533 2.9787 2.9787 3.0717 3.0717 6.0634 6.0634 6.1877 6.1877 7.2336 7.2336 7.2831 7.2831 k = 0.5000 0.3791 0.4990 ( 27018 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8698 -6.8698 -6.8691 -6.8691 -6.5862 -6.5862 -6.5858 -6.5858 -1.1619 -1.1619 -1.1082 -1.1082 0.4871 0.4871 0.5762 0.5762 1.3403 1.3403 1.4739 1.4739 1.8927 1.8927 2.0237 2.0237 2.4079 2.4079 2.5447 2.5447 2.9540 2.9540 3.0496 3.0496 6.0865 6.0865 6.2074 6.2074 7.1448 7.1448 7.1879 7.1879 k = 0.5000 0.3791 0.4763 ( 27012 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8775 -6.8775 -6.8768 -6.8768 -6.5801 -6.5801 -6.5797 -6.5797 -1.1424 -1.1424 -1.0884 -1.0884 0.4995 0.4995 0.5957 0.5957 1.3438 1.3438 1.4861 1.4861 1.8671 1.8671 2.0018 2.0018 2.3908 2.3908 2.5361 2.5361 2.9290 2.9290 3.0270 3.0270 6.1037 6.1037 6.2204 6.2204 7.0557 7.0557 7.0919 7.0919 k = 0.5000 0.3791 0.4536 ( 27004 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8859 -6.8859 -6.8852 -6.8852 -6.5732 -6.5732 -6.5728 -6.5728 -1.1249 -1.1249 -1.0709 -1.0709 0.5148 0.5148 0.6181 0.6181 1.3475 1.3475 1.4986 1.4986 1.8449 1.8449 1.9825 1.9825 2.3740 2.3740 2.5274 2.5274 2.9039 2.9039 3.0040 3.0040 6.1145 6.1145 6.2259 6.2259 6.9676 6.9676 6.9964 6.9964 k = 0.5000 0.3791 0.4310 ( 27016 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8948 -6.8948 -6.8941 -6.8941 -6.5655 -6.5655 -6.5651 -6.5651 -1.1100 -1.1100 -1.0563 -1.0563 0.5332 0.5332 0.6439 0.6439 1.3514 1.3514 1.5112 1.5112 1.8261 1.8261 1.9660 1.9660 2.3575 2.3575 2.5185 2.5185 2.8788 2.8788 2.9808 2.9808 6.1183 6.1183 6.2233 6.2233 6.8810 6.8810 6.9025 6.9025 k = 0.5000 0.3791 0.4083 ( 27028 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.9041 -6.9041 -6.9034 -6.9034 -6.5571 -6.5571 -6.5568 -6.5568 -1.0978 -1.0978 -1.0448 -1.0448 0.5552 0.5552 0.6731 0.6731 1.3556 1.3556 1.5240 1.5240 1.8108 1.8108 1.9523 1.9523 2.3414 2.3414 2.5095 2.5095 2.8541 2.8541 2.9576 2.9576 6.1149 6.1149 6.2124 6.2124 6.7965 6.7965 6.8110 6.8110 k = 0.5000 0.3791 0.3856 ( 27034 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.9136 -6.9136 -6.9130 -6.9130 -6.5483 -6.5483 -6.5480 -6.5480 -1.0886 -1.0886 -1.0368 -1.0368 0.5807 0.5807 0.7059 0.7059 1.3600 1.3600 1.5369 1.5369 1.7989 1.7989 1.9414 1.9414 2.3256 2.3256 2.5003 2.5003 2.8298 2.8298 2.9344 2.9344 6.1042 6.1042 6.1930 6.1930 6.7136 6.7136 6.7235 6.7235 k = 0.5000 0.3791 0.3629 ( 27022 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.9233 -6.9233 -6.9228 -6.9228 -6.5391 -6.5391 -6.5388 -6.5388 -1.0823 -1.0823 -1.0322 -1.0322 0.6098 0.6098 0.7424 0.7424 1.3645 1.3645 1.5499 1.5499 1.7903 1.7903 1.9333 1.9333 2.3102 2.3102 2.4907 2.4907 2.8063 2.8063 2.9114 2.9114 6.0864 6.0864 6.1658 6.1658 6.6305 6.6305 6.6419 6.6419 k = 0.5000 0.3791 0.3402 ( 27020 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.9330 -6.9330 -6.9325 -6.9325 -6.5297 -6.5297 -6.5294 -6.5294 -1.0791 -1.0791 -1.0309 -1.0309 0.6424 0.6424 0.7825 0.7825 1.3690 1.3690 1.5629 1.5629 1.7848 1.7848 1.9278 1.9278 2.2950 2.2950 2.4806 2.4806 2.7839 2.7839 2.8888 2.8888 6.0619 6.0619 6.1314 6.1314 6.5486 6.5486 6.5653 6.5653 k = 0.5000 0.3791 0.3175 ( 27012 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.9426 -6.9426 -6.9421 -6.9421 -6.5201 -6.5201 -6.5199 -6.5199 -1.0786 -1.0786 -1.0328 -1.0328 0.6782 0.6782 0.8257 0.8257 1.3735 1.3735 1.5759 1.5759 1.7820 1.7820 1.9248 1.9248 2.2801 2.2801 2.4697 2.4697 2.7628 2.7628 2.8666 2.8666 6.0314 6.0314 6.0912 6.0912 6.4695 6.4695 6.4920 6.4920 k = 0.5000 0.3791 0.2949 ( 27026 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.9520 -6.9520 -6.9516 -6.9516 -6.5106 -6.5106 -6.5104 -6.5104 -1.0806 -1.0806 -1.0374 -1.0374 0.7167 0.7167 0.8718 0.8718 1.3779 1.3779 1.5887 1.5887 1.7819 1.7819 1.9242 1.9242 2.2654 2.2654 2.4577 2.4577 2.7432 2.7432 2.8451 2.8451 5.9960 5.9960 6.0466 6.0466 6.3937 6.3937 6.4211 6.4211 k = 0.5000 0.3791 0.2722 ( 27028 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.9610 -6.9610 -6.9607 -6.9607 -6.5012 -6.5012 -6.5010 -6.5010 -1.0847 -1.0847 -1.0445 -1.0445 0.7575 0.7575 0.9201 0.9201 1.3823 1.3823 1.6011 1.6011 1.7841 1.7841 1.9258 1.9258 2.2508 2.2508 2.4445 2.4445 2.7255 2.7255 2.8245 2.8245 5.9569 5.9569 5.9992 5.9992 6.3214 6.3214 6.3523 6.3523 k = 0.5000 0.3791 0.2495 ( 27012 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.9697 -6.9697 -6.9693 -6.9693 -6.4921 -6.4921 -6.4919 -6.4919 -1.0905 -1.0905 -1.0534 -1.0534 0.7998 0.7998 0.9698 0.9698 1.3866 1.3866 1.6128 1.6128 1.7887 1.7887 1.9295 1.9295 2.2362 2.2362 2.4296 2.4296 2.7100 2.7100 2.8047 2.8047 5.9154 5.9154 5.9507 5.9507 6.2527 6.2527 6.2856 6.2856 k = 0.5000 0.3791 0.2268 ( 27020 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.9779 -6.9779 -6.9776 -6.9776 -6.4833 -6.4833 -6.4831 -6.4831 -1.0976 -1.0976 -1.0637 -1.0637 0.8432 0.8432 1.0198 1.0198 1.3911 1.3911 1.6232 1.6232 1.7955 1.7955 1.9350 1.9350 2.2216 2.2216 2.4131 2.4131 2.6966 2.6966 2.7861 2.7861 5.8727 5.8727 5.9023 5.9023 6.1879 6.1879 6.2210 6.2210 k = 0.5000 0.3791 0.2041 ( 27014 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.9855 -6.9855 -6.9852 -6.9852 -6.4750 -6.4750 -6.4749 -6.4749 -1.1054 -1.1054 -1.0749 -1.0749 0.8869 0.8869 1.0688 1.0688 1.3962 1.3962 1.6320 1.6320 1.8046 1.8046 1.9423 1.9423 2.2070 2.2070 2.3947 2.3947 2.6857 2.6857 2.7686 2.7686 5.8302 5.8302 5.8553 5.8553 6.1272 6.1272 6.1592 6.1592 k = 0.5000 0.3791 0.1815 ( 27016 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.9924 -6.9924 -6.9922 -6.9922 -6.4673 -6.4673 -6.4672 -6.4672 -1.1137 -1.1137 -1.0866 -1.0866 0.9302 0.9302 1.1152 1.1152 1.4027 1.4027 1.6386 1.6386 1.8159 1.8159 1.9509 1.9509 2.1924 2.1924 2.3745 2.3745 2.6770 2.6770 2.7524 2.7524 5.7891 5.7891 5.8106 5.8106 6.0709 6.0709 6.1007 6.1007 k = 0.5000 0.3791 0.1588 ( 27024 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.9987 -6.9987 -6.9985 -6.9985 -6.4603 -6.4603 -6.4602 -6.4602 -1.1218 -1.1218 -1.0981 -1.0981 0.9725 0.9725 1.1565 1.1565 1.4119 1.4119 1.6427 1.6427 1.8293 1.8293 1.9605 1.9605 2.1780 2.1780 2.3526 2.3526 2.6706 2.6706 2.7376 2.7376 5.7503 5.7503 5.7692 5.7692 6.0196 6.0196 6.0464 6.0464 k = 0.5000 0.3791 0.1361 ( 27028 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -7.0043 -7.0043 -7.0041 -7.0041 -6.4540 -6.4540 -6.4539 -6.4539 -1.1295 -1.1295 -1.1092 -1.1092 1.0131 1.0131 1.1902 1.1902 1.4252 1.4252 1.6439 1.6439 1.8446 1.8446 1.9703 1.9703 2.1646 2.1646 2.3293 2.3293 2.6661 2.6661 2.7243 2.7243 5.7150 5.7150 5.7316 5.7316 5.9738 5.9738 5.9970 5.9970 k = 0.5000 0.3791 0.1134 ( 27040 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -7.0090 -7.0090 -7.0089 -7.0089 -6.4486 -6.4486 -6.4485 -6.4485 -1.1364 -1.1364 -1.1195 -1.1195 1.0516 1.0516 1.2139 1.2139 1.4441 1.4441 1.6418 1.6418 1.8614 1.8614 1.9792 1.9792 2.1533 2.1533 2.3049 2.3049 2.6635 2.6635 2.7123 2.7123 5.6840 5.6840 5.6984 5.6984 5.9342 5.9342 5.9535 5.9535 k = 0.5000 0.3791 0.0907 ( 27038 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -7.0130 -7.0130 -7.0128 -7.0128 -6.4440 -6.4440 -6.4439 -6.4439 -1.1421 -1.1421 -1.1287 -1.1287 1.0874 1.0874 1.2268 1.2268 1.4684 1.4684 1.6364 1.6364 1.8793 1.8793 1.9853 1.9853 2.1459 2.1459 2.2797 2.2797 2.6625 2.6625 2.7018 2.7018 5.6580 5.6580 5.6700 5.6700 5.9012 5.9012 5.9164 5.9164 k = 0.5000 0.3791 0.0680 ( 27038 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -7.0161 -7.0161 -7.0160 -7.0160 -6.4404 -6.4404 -6.4404 -6.4404 -1.1465 -1.1465 -1.1364 -1.1364 1.1202 1.1202 1.2299 1.2299 1.4961 1.4961 1.6273 1.6273 1.8981 1.8981 1.9863 1.9863 2.1447 2.1447 2.2542 2.2542 2.6631 2.6631 2.6925 2.6925 5.6375 5.6375 5.6470 5.6470 5.8753 5.8753 5.8866 5.8866 k = 0.5000 0.3791 0.0454 ( 27038 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -7.0183 -7.0183 -7.0182 -7.0182 -6.4378 -6.4378 -6.4378 -6.4378 -1.1493 -1.1493 -1.1426 -1.1426 1.1496 1.1496 1.2249 1.2249 1.5247 1.5247 1.6143 1.6143 1.9172 1.9172 1.9808 1.9808 2.1510 2.1510 2.2291 2.2291 2.6650 2.6650 2.6846 2.6846 5.6231 5.6231 5.6297 5.6297 5.8570 5.8570 5.8645 5.8645 k = 0.5000 0.3791 0.0227 ( 27046 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -7.0196 -7.0196 -7.0196 -7.0196 -6.4362 -6.4362 -6.4362 -6.4362 -1.1503 -1.1503 -1.1470 -1.1470 1.1752 1.1752 1.2135 1.2135 1.5520 1.5520 1.5974 1.5974 1.9361 1.9361 1.9694 1.9694 2.1643 2.1643 2.2049 2.2049 2.6681 2.6681 2.6779 2.6779 5.6151 5.6151 5.6184 5.6184 5.8467 5.8467 5.8503 5.8503 k = 0.5000 0.3791 0.0000 ( 27060 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -7.0200 -7.0200 -7.0200 -7.0200 -6.4357 -6.4357 -6.4357 -6.4357 -1.1496 -1.1496 -1.1496 -1.1496 1.1966 1.1966 1.1966 1.1966 1.5765 1.5765 1.5765 1.5765 1.9539 1.9539 1.9539 1.9539 2.1829 2.1829 2.1829 2.1829 2.6724 2.6724 2.6724 2.6724 5.6135 5.6135 5.6135 5.6135 5.8444 5.8444 5.8444 5.8444 k = 0.0000 0.0000 0.8276 ( 27038 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8373 -6.8373 -6.8365 -6.8365 -6.5970 -6.5970 -6.5968 -6.5968 -1.3965 -1.3965 -1.3527 -1.3527 0.4484 0.4484 0.4709 0.4709 1.3280 1.3280 1.3589 1.3589 2.2411 2.2411 2.3671 2.3671 2.6141 2.6141 2.6226 2.6226 3.1806 3.1806 3.2455 3.2455 5.6807 5.6807 5.8112 5.8112 7.3841 7.3841 7.3888 7.3888 k = 0.0179 0.0135 0.8276 ( 27018 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8373 -6.8372 -6.8365 -6.8365 -6.5971 -6.5971 -6.5968 -6.5968 -1.3978 -1.3943 -1.3533 -1.3512 0.4414 0.4472 0.4604 0.4739 1.3262 1.3425 1.3580 1.3713 2.2387 2.2417 2.3630 2.3701 2.6107 2.6181 2.6219 2.6237 3.1683 3.1862 3.2422 3.2423 5.6776 5.6889 5.8097 5.8174 7.3843 7.3847 7.3887 7.3896 k = 0.0357 0.0271 0.8276 ( 27014 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8373 -6.8371 -6.8364 -6.8364 -6.5972 -6.5971 -6.5969 -6.5968 -1.3983 -1.3913 -1.3531 -1.3489 0.4270 0.4379 0.4433 0.4694 1.3369 1.3685 1.3690 1.3942 2.2345 2.2406 2.3578 2.3719 2.6080 2.6215 2.6230 2.6251 3.1495 3.1853 3.2322 3.2326 5.6794 5.7019 5.8129 5.8283 7.3852 7.3861 7.3893 7.3911 k = 0.0536 0.0406 0.8276 ( 27016 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8372 -6.8370 -6.8364 -6.8363 -6.5973 -6.5972 -6.5970 -6.5969 -1.3979 -1.3874 -1.3522 -1.3459 0.4067 0.4208 0.4217 0.4582 1.3590 1.3895 1.4061 1.4266 2.2283 2.2376 2.3515 2.3724 2.6058 2.6215 2.6268 2.6287 3.1249 3.1779 3.2159 3.2168 5.6861 5.7194 5.8204 5.8433 7.3868 7.3882 7.3905 7.3931 k = 0.0714 0.0542 0.8276 ( 27006 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8372 -6.8368 -6.8363 -6.8362 -6.5974 -6.5974 -6.5972 -6.5970 -1.3969 -1.3829 -1.3506 -1.3421 0.3821 0.3946 0.4001 0.4417 1.3906 1.4195 1.4519 1.4665 2.2201 2.2328 2.3441 2.3712 2.6043 2.6219 2.6289 2.6353 3.0952 3.1649 3.1939 3.1955 5.6969 5.7406 5.8318 5.8621 7.3888 7.3908 7.3921 7.3955 k = 0.0893 0.0677 0.8276 ( 27002 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8371 -6.8367 -6.8361 -6.8361 -6.5976 -6.5975 -6.5974 -6.5971 -1.3952 -1.3778 -1.3484 -1.3379 0.3551 0.3663 0.3749 0.4216 1.4299 1.4565 1.5048 1.5124 2.2098 2.2260 2.3354 2.3680 2.6034 2.6227 2.6313 2.6430 3.0615 3.1469 3.1668 3.1696 5.7113 5.7648 5.8462 5.8837 7.3911 7.3936 7.3940 7.3981 k = 0.1071 0.0812 0.8276 ( 27008 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8369 -6.8365 -6.8360 -6.8359 -6.5978 -6.5977 -6.5976 -6.5973 -1.3931 -1.3723 -1.3459 -1.3332 0.3272 0.3372 0.3480 0.3994 1.4747 1.4987 1.5627 1.5629 2.1972 2.2170 2.3255 2.3623 2.6030 2.6241 2.6341 2.6519 3.0252 3.1250 3.1355 3.1398 5.7282 5.7909 5.8628 5.9072 7.3932 7.3960 7.3964 7.4006 k = 0.1250 0.0948 0.8276 ( 27012 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8368 -6.8363 -6.8359 -6.8358 -6.5980 -6.5979 -6.5979 -6.5975 -1.3906 -1.3665 -1.3432 -1.3284 0.2999 0.3088 0.3209 0.3766 1.5233 1.5440 1.6158 1.6247 2.1823 2.2059 2.3141 2.3533 2.6032 2.6258 2.6373 2.6619 2.9879 3.1004 3.1011 3.1074 5.7468 5.8181 5.8805 5.9317 7.3950 7.3979 7.3989 7.4028 k = 0.1429 0.1083 0.8276 ( 27016 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8367 -6.8361 -6.8357 -6.8356 -6.5982 -6.5981 -6.5981 -6.5977 -1.3880 -1.3607 -1.3405 -1.3235 0.2742 0.2820 0.2950 0.3545 1.5737 1.5904 1.6703 1.6886 2.1649 2.1925 2.3015 2.3402 2.6042 2.6279 2.6409 2.6731 2.9518 3.0646 3.0734 3.0745 5.7659 5.8452 5.8984 5.9561 7.3964 7.3995 7.4010 7.4046 k = 0.1607 0.1219 0.8276 ( 27012 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8365 -6.8359 -6.8356 -6.8355 -6.5984 -6.5983 -6.5983 -6.5978 -1.3854 -1.3550 -1.3380 -1.3189 0.2510 0.2577 0.2714 0.3342 1.6243 1.6361 1.7249 1.7531 2.1453 2.1769 2.2878 2.3222 2.6057 2.6300 2.6447 2.6855 2.9191 3.0274 3.0391 3.0487 5.7844 5.8711 5.9152 5.9792 7.3971 7.4007 7.4024 7.4059 k = 0.1786 0.1354 0.8276 ( 27004 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8364 -6.8357 -6.8355 -6.8353 -6.5986 -6.5985 -6.5985 -6.5980 -1.3830 -1.3497 -1.3360 -1.3148 0.2313 0.2367 0.2508 0.3164 1.6732 1.6789 1.7784 1.8159 2.1239 2.1598 2.2735 2.2984 2.6081 2.6315 2.6485 2.6987 2.8923 2.9907 3.0060 3.0246 5.8013 5.8948 5.9300 5.9999 7.3973 7.4015 7.4032 7.4066 k = 0.1964 0.1489 0.8276 ( 27048 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8363 -6.8356 -6.8354 -6.8352 -6.5987 -6.5987 -6.5986 -6.5981 -1.3810 -1.3449 -1.3345 -1.3113 0.2155 0.2196 0.2342 0.3020 1.7164 1.7181 1.8291 1.8739 2.1018 2.1430 2.2598 2.2685 2.6111 2.6319 2.6522 2.7122 2.8738 2.9559 2.9758 3.0037 5.8157 5.9154 5.9417 6.0173 7.3970 7.4019 7.4035 7.4069 k = 0.2143 0.1625 0.8276 ( 27038 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8362 -6.8354 -6.8353 -6.8351 -6.5988 -6.5988 -6.5987 -6.5982 -1.3794 -1.3408 -1.3339 -1.3087 0.2040 0.2069 0.2219 0.2913 1.7461 1.7558 1.8754 1.9207 2.0810 2.1314 2.2332 2.2479 2.6149 2.6306 2.6552 2.7246 2.8651 2.9246 2.9507 2.9875 5.8265 5.9320 5.9495 6.0304 7.3966 7.4022 7.4034 7.4069 k = 0.2321 0.1760 0.8276 ( 27012 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8362 -6.8353 -6.8353 -6.8351 -6.5989 -6.5989 -6.5988 -6.5983 -1.3784 -1.3376 -1.3342 -1.3071 0.1974 0.1988 0.2144 0.2848 1.7654 1.7820 1.9144 1.9454 2.0653 2.1346 2.1947 2.2398 2.6192 2.6277 2.6573 2.7338 2.8669 2.8982 2.9336 2.9771 5.8333 5.9439 5.9527 6.0386 7.3962 7.4024 7.4030 7.4069 k = 0.2500 0.1895 0.8276 ( 27012 PWs) bands (ev): -41.4181 -41.4181 -41.4181 -41.4181 -6.8362 -6.8353 -6.8353 -6.8351 -6.5989 -6.5989 -6.5988 -6.5983 -1.3781 -1.3354 -1.3354 -1.3065 0.1956 0.1956 0.2119 0.2826 1.7721 1.7916 1.9409 1.9409 2.0593 2.1584 2.1584 2.2368 2.6236 2.6236 2.6580 2.7373 2.8784 2.8785 2.9274 2.9736 5.8357 5.9509 5.9509 6.0413 7.3960 7.4027 7.4027 7.4068 Writing output data file LiAlTe2.save init_run : 4.77s CPU 12.38s WALL ( 1 calls) electrons : 1136.20s CPU 1146.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 1136.17s CPU 1145.99s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.99s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.12s CPU 0.68s WALL ( 1 calls) newd : 0.60s CPU 0.70s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.40s CPU 0.54s WALL ( 253 calls) cegterg : 989.32s CPU 995.46s WALL ( 457 calls) Called by sum_band: Called by *egterg: h_psi : 742.15s CPU 747.49s WALL ( 7109 calls) s_psi : 45.46s CPU 45.70s WALL ( 7109 calls) g_psi : 2.46s CPU 2.46s WALL ( 6399 calls) cdiaghg : 101.14s CPU 99.91s WALL ( 6652 calls) cegterg:over : 76.47s CPU 74.46s WALL ( 6399 calls) cegterg:upda : 41.11s CPU 43.36s WALL ( 6399 calls) cegterg:last : 31.30s CPU 31.92s WALL ( 1336 calls) Called by h_psi: h_psi:vloc : 631.13s CPU 635.20s WALL ( 7109 calls) h_psi:vnl : 108.44s CPU 109.12s WALL ( 7109 calls) add_vuspsi : 42.82s CPU 45.60s WALL ( 7109 calls) General routines calbec : 65.58s CPU 63.42s WALL ( 7109 calls) fft : 0.47s CPU 1.49s WALL ( 15 calls) fftw : 592.22s CPU 595.11s WALL ( 723532 calls) davcio : 0.05s CPU 4.98s WALL ( 506 calls) Parallel routines fft_scatter : 265.87s CPU 263.37s WALL ( 723547 calls) PWSCF : 20m56.27s CPU 25m15.71s WALL This run was terminated on: 13:23:39 12Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=