Program PWSCF v.5.1.1 starts on 30Dec2015 at 16:52: 9 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: ./Zr3xAl2C3x2.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 104 64 19 2180 1036 171 Max 105 65 20 2182 1054 173 Sum 5039 3085 919 104667 50137 8243 bravais-lattice index = 14 lattice parameter (alat) = 31.0628 a.u. unit-cell volume = 1050.4371 (a.u.)^3 number of atoms/cell = 13 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 31.062770 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.979627 celldm(5)= 0.979627 celldm(6)= 0.979627 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.979627 0.200826 0.000000 ) a(3) = ( 0.979627 0.099380 0.174513 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -4.877978 -2.835624 ) b(2) = ( 0.000000 4.979424 -2.835624 ) b(3) = ( 0.000000 0.000000 5.730221 ) PseudoPot. # 1 for Zr read from file: /home/autes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 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 PseudoPot. # 3 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Al 3.00 26.98150 Al( 1.00) C 4.00 12.01070 C( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 331 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0090909 -0.0443453 -0.0257784), wk = 0.0030211 k( 3) = ( 0.0181818 -0.0886905 -0.0515568), wk = 0.0030211 k( 4) = ( 0.0272727 -0.1330358 -0.0773352), wk = 0.0030211 k( 5) = ( 0.0363636 -0.1773810 -0.1031136), wk = 0.0030211 k( 6) = ( 0.0454546 -0.2217263 -0.1288920), wk = 0.0030211 k( 7) = ( 0.0545455 -0.2660715 -0.1546704), wk = 0.0030211 k( 8) = ( 0.0636364 -0.3104167 -0.1804488), wk = 0.0030211 k( 9) = ( 0.0727273 -0.3547620 -0.2062272), wk = 0.0030211 k( 10) = ( 0.0818182 -0.3991073 -0.2320056), wk = 0.0030211 k( 11) = ( 0.0909091 -0.4434525 -0.2577840), wk = 0.0030211 k( 12) = ( 0.1000000 -0.4877978 -0.2835624), wk = 0.0030211 k( 13) = ( 0.1090909 -0.5321430 -0.3093408), wk = 0.0030211 k( 14) = ( 0.1181818 -0.5764883 -0.3351193), wk = 0.0030211 k( 15) = ( 0.1272727 -0.6208335 -0.3608977), wk = 0.0030211 k( 16) = ( 0.1363636 -0.6651788 -0.3866761), wk = 0.0030211 k( 17) = ( 0.1454545 -0.7095240 -0.4124545), wk = 0.0030211 k( 18) = ( 0.1545455 -0.7538692 -0.4382328), wk = 0.0030211 k( 19) = ( 0.1636364 -0.7982145 -0.4640113), wk = 0.0030211 k( 20) = ( 0.1727273 -0.8425598 -0.4897897), wk = 0.0030211 k( 21) = ( 0.1818182 -0.8869050 -0.5155681), wk = 0.0030211 k( 22) = ( 0.1909091 -0.9312503 -0.5413465), wk = 0.0030211 k( 23) = ( 0.2000000 -0.9755955 -0.5671249), wk = 0.0030211 k( 24) = ( 0.2090909 -1.0199408 -0.5929033), wk = 0.0030211 k( 25) = ( 0.2181818 -1.0642860 -0.6186817), wk = 0.0030211 k( 26) = ( 0.2272727 -1.1086313 -0.6444601), wk = 0.0030211 k( 27) = ( 0.2363636 -1.1529765 -0.6702385), wk = 0.0030211 k( 28) = ( 0.2454545 -1.1973218 -0.6960169), wk = 0.0030211 k( 29) = ( 0.2545455 -1.2416670 -0.7217953), wk = 0.0030211 k( 30) = ( 0.2636364 -1.2860123 -0.7475737), wk = 0.0030211 k( 31) = ( 0.2727273 -1.3303575 -0.7733521), wk = 0.0030211 k( 32) = ( 0.2818182 -1.3747028 -0.7991305), wk = 0.0030211 k( 33) = ( 0.2909091 -1.4190480 -0.8249089), wk = 0.0030211 k( 34) = ( 0.3000000 -1.4633933 -0.8506873), wk = 0.0030211 k( 35) = ( 0.3090909 -1.5077385 -0.8764657), wk = 0.0030211 k( 36) = ( 0.3181818 -1.5520838 -0.9022441), wk = 0.0030211 k( 37) = ( 0.3272727 -1.5964291 -0.9280225), wk = 0.0030211 k( 38) = ( 0.3363636 -1.6407743 -0.9538009), wk = 0.0030211 k( 39) = ( 0.3454546 -1.6851196 -0.9795794), wk = 0.0030211 k( 40) = ( 0.3545454 -1.7294648 -1.0053577), wk = 0.0030211 k( 41) = ( 0.3636364 -1.7738100 -1.0311361), wk = 0.0030211 k( 42) = ( 0.3727273 -1.8181553 -1.0569145), wk = 0.0030211 k( 43) = ( 0.3818182 -1.8625005 -1.0826929), wk = 0.0030211 k( 44) = ( 0.3909091 -1.9068458 -1.1084714), wk = 0.0030211 k( 45) = ( 0.4000000 -1.9511910 -1.1342498), wk = 0.0030211 k( 46) = ( 0.4090909 -1.9955363 -1.1600282), wk = 0.0030211 k( 47) = ( 0.4181818 -2.0398816 -1.1858066), wk = 0.0030211 k( 48) = ( 0.4272727 -2.0842268 -1.2115850), wk = 0.0030211 k( 49) = ( 0.4363636 -2.1285721 -1.2373634), wk = 0.0030211 k( 50) = ( 0.4454546 -2.1729173 -1.2631418), wk = 0.0030211 k( 51) = ( 0.4545455 -2.2172625 -1.2889202), wk = 0.0030211 k( 52) = ( 0.4636364 -2.2616078 -1.3146986), wk = 0.0030211 k( 53) = ( 0.4727273 -2.3059530 -1.3404770), wk = 0.0030211 k( 54) = ( 0.4818182 -2.3502983 -1.3662554), wk = 0.0030211 k( 55) = ( 0.4909091 -2.3946436 -1.3920338), wk = 0.0030211 k( 56) = ( 0.5000000 -2.4389888 -1.4178122), wk = 0.0030211 k( 57) = ( 0.5000000 -2.4389888 -1.4178122), wk = 0.0030211 k( 58) = ( 0.5000000 -2.4126972 -1.4630403), wk = 0.0030211 k( 59) = ( 0.5000000 -2.3864056 -1.5082684), wk = 0.0030211 k( 60) = ( 0.5000000 -2.3601140 -1.5534964), wk = 0.0030211 k( 61) = ( 0.5000000 -2.3338224 -1.5987245), wk = 0.0030211 k( 62) = ( 0.5000000 -2.3075308 -1.6439526), wk = 0.0030211 k( 63) = ( 0.5000000 -2.2812392 -1.6891807), wk = 0.0030211 k( 64) = ( 0.5000000 -2.2549476 -1.7344087), wk = 0.0030211 k( 65) = ( 0.5000000 -2.2286560 -1.7796368), wk = 0.0030211 k( 66) = ( 0.5000000 -2.2023644 -1.8248649), wk = 0.0030211 k( 67) = ( 0.5000000 -2.1760728 -1.8700929), wk = 0.0030211 k( 68) = ( 0.5000000 -2.1497813 -1.9153210), wk = 0.0030211 k( 69) = ( 0.5000000 -2.1234897 -1.9605490), wk = 0.0030211 k( 70) = ( 0.5000000 -2.0971980 -2.0057771), wk = 0.0030211 k( 71) = ( 0.5000000 -2.0709064 -2.0510052), wk = 0.0030211 k( 72) = ( 0.5000000 -2.0446149 -2.0962332), wk = 0.0030211 k( 73) = ( 0.5000000 -2.0183233 -2.1414613), wk = 0.0030211 k( 74) = ( 0.5000000 -1.9920317 -2.1866894), wk = 0.0030211 k( 75) = ( 0.5000000 -1.9657400 -2.2319175), wk = 0.0030211 k( 76) = ( 0.5000000 -1.9394485 -2.2771455), wk = 0.0030211 k( 77) = ( 0.5000000 -1.9131569 -2.3223736), wk = 0.0030211 k( 78) = ( 0.5000000 -1.8868653 -2.3676017), wk = 0.0030211 k( 79) = ( 0.5000000 -1.8605737 -2.4128298), wk = 0.0030211 k( 80) = ( 0.5000000 -1.8342821 -2.4580578), wk = 0.0030211 k( 81) = ( 0.5000000 -1.8079905 -2.5032859), wk = 0.0030211 k( 82) = ( 0.5000000 -1.7816989 -2.5485140), wk = 0.0030211 k( 83) = ( 0.5000000 -1.7554073 -2.5937421), wk = 0.0030211 k( 84) = ( 0.5000000 -1.7291157 -2.6389701), wk = 0.0030211 k( 85) = ( 0.5000000 -1.7028241 -2.6841982), wk = 0.0030211 k( 86) = ( 0.5000000 -1.6765325 -2.7294263), wk = 0.0030211 k( 87) = ( 0.5000000 -1.6502409 -2.7746543), wk = 0.0030211 k( 88) = ( 0.5000000 -1.6239493 -2.8198824), wk = 0.0030211 k( 89) = ( 0.5000000 -1.5976577 -2.8651104), wk = 0.0030211 k( 90) = ( 0.8310385 -1.5640750 -2.8061384), wk = 0.0030211 k( 91) = ( 0.8257839 -1.5384433 -2.7611284), wk = 0.0030211 k( 92) = ( 0.8205293 -1.5128115 -2.7161185), wk = 0.0030211 k( 93) = ( 0.8152747 -1.4871798 -2.6711086), wk = 0.0030211 k( 94) = ( 0.8100202 -1.4615481 -2.6260987), wk = 0.0030211 k( 95) = ( 0.8047656 -1.4359164 -2.5810888), wk = 0.0030211 k( 96) = ( 0.7995110 -1.4102847 -2.5360789), wk = 0.0030211 k( 97) = ( 0.7942564 -1.3846530 -2.4910690), wk = 0.0030211 k( 98) = ( 0.7890019 -1.3590213 -2.4460591), wk = 0.0030211 k( 99) = ( 0.7837473 -1.3333895 -2.4010492), wk = 0.0030211 k( 100) = ( 0.7784927 -1.3077578 -2.3560393), wk = 0.0030211 k( 101) = ( 0.7732381 -1.2821261 -2.3110293), wk = 0.0030211 k( 102) = ( 0.7679835 -1.2564944 -2.2660194), wk = 0.0030211 k( 103) = ( 0.7627289 -1.2308626 -2.2210095), wk = 0.0030211 k( 104) = ( 0.7574744 -1.2052309 -2.1759996), wk = 0.0030211 k( 105) = ( 0.7522198 -1.1795992 -2.1309897), wk = 0.0030211 k( 106) = ( 0.7469652 -1.1539675 -2.0859798), wk = 0.0030211 k( 107) = ( 0.7417106 -1.1283358 -2.0409699), wk = 0.0030211 k( 108) = ( 0.7364561 -1.1027041 -1.9959600), wk = 0.0030211 k( 109) = ( 0.7312015 -1.0770723 -1.9509501), wk = 0.0030211 k( 110) = ( 0.7259469 -1.0514406 -1.9059401), wk = 0.0030211 k( 111) = ( 0.7206923 -1.0258089 -1.8609302), wk = 0.0030211 k( 112) = ( 0.7154377 -1.0001772 -1.8159203), wk = 0.0030211 k( 113) = ( 0.7101832 -0.9745454 -1.7709104), wk = 0.0030211 k( 114) = ( 0.7049286 -0.9489137 -1.7259005), wk = 0.0030211 k( 115) = ( 0.6996740 -0.9232820 -1.6808906), wk = 0.0030211 k( 116) = ( 0.6944194 -0.8976503 -1.6358806), wk = 0.0030211 k( 117) = ( 0.6891649 -0.8720186 -1.5908708), wk = 0.0030211 k( 118) = ( 0.6839103 -0.8463869 -1.5458609), wk = 0.0030211 k( 119) = ( 0.6786557 -0.8207552 -1.5008510), wk = 0.0030211 k( 120) = ( 0.6734011 -0.7951234 -1.4558410), wk = 0.0030211 k( 121) = ( 0.6681465 -0.7694917 -1.4108311), wk = 0.0030211 k( 122) = ( 0.6628920 -0.7438600 -1.3658212), wk = 0.0030211 k( 123) = ( 0.6576374 -0.7182283 -1.3208113), wk = 0.0030211 k( 124) = ( 0.6523828 -0.6925965 -1.2758014), wk = 0.0030211 k( 125) = ( 0.6471282 -0.6669648 -1.2307914), wk = 0.0030211 k( 126) = ( 0.6418736 -0.6413331 -1.1857815), wk = 0.0030211 k( 127) = ( 0.6366191 -0.6157014 -1.1407717), wk = 0.0030211 k( 128) = ( 0.6313645 -0.5900697 -1.0957618), wk = 0.0030211 k( 129) = ( 0.6261099 -0.5644380 -1.0507519), wk = 0.0030211 k( 130) = ( 0.6208553 -0.5388062 -1.0057419), wk = 0.0030211 k( 131) = ( 0.6156007 -0.5131745 -0.9607320), wk = 0.0030211 k( 132) = ( 0.6103462 -0.4875428 -0.9157221), wk = 0.0030211 k( 133) = ( 0.6050916 -0.4619111 -0.8707122), wk = 0.0030211 k( 134) = ( 0.5998370 -0.4362793 -0.8257023), wk = 0.0030211 k( 135) = ( 0.5945824 -0.4106476 -0.7806923), wk = 0.0030211 k( 136) = ( 0.5893278 -0.3850159 -0.7356824), wk = 0.0030211 k( 137) = ( 0.5840733 -0.3593842 -0.6906725), wk = 0.0030211 k( 138) = ( 0.5788187 -0.3337525 -0.6456627), wk = 0.0030211 k( 139) = ( 0.5735641 -0.3081208 -0.6006527), wk = 0.0030211 k( 140) = ( 0.5683095 -0.2824891 -0.5556428), wk = 0.0030211 k( 141) = ( 0.5630550 -0.2568573 -0.5106329), wk = 0.0030211 k( 142) = ( 0.5578004 -0.2312256 -0.4656230), wk = 0.0030211 k( 143) = ( 0.5525458 -0.2055939 -0.4206131), wk = 0.0030211 k( 144) = ( 0.5472912 -0.1799622 -0.3756031), wk = 0.0030211 k( 145) = ( 0.5420366 -0.1543304 -0.3305932), wk = 0.0030211 k( 146) = ( 0.5367821 -0.1286987 -0.2855833), wk = 0.0030211 k( 147) = ( 0.5315275 -0.1030670 -0.2405734), wk = 0.0030211 k( 148) = ( 0.5262729 -0.0774353 -0.1955636), wk = 0.0030211 k( 149) = ( 0.5210183 -0.0518036 -0.1505536), wk = 0.0030211 k( 150) = ( 0.5157637 -0.0261719 -0.1055437), wk = 0.0030211 k( 151) = ( 0.5105092 -0.0005401 -0.0605338), wk = 0.0030211 k( 152) = ( 0.5052546 0.0250916 -0.0155239), wk = 0.0030211 k( 153) = ( 0.5000000 0.0507233 0.0294860), wk = 0.0030211 k( 154) = ( 0.5000000 0.0507233 0.0294860), wk = 0.0030211 k( 155) = ( 0.4500000 0.0456510 0.0265374), wk = 0.0030211 k( 156) = ( 0.4000000 0.0405786 0.0235888), wk = 0.0030211 k( 157) = ( 0.3500000 0.0355063 0.0206402), wk = 0.0030211 k( 158) = ( 0.3000000 0.0304340 0.0176916), wk = 0.0030211 k( 159) = ( 0.2500000 0.0253617 0.0147430), wk = 0.0030211 k( 160) = ( 0.2000000 0.0202893 0.0117944), wk = 0.0030211 k( 161) = ( 0.1500000 0.0152170 0.0088458), wk = 0.0030211 k( 162) = ( 0.1000000 0.0101447 0.0058972), wk = 0.0030211 k( 163) = ( 0.0500000 0.0050723 0.0029486), wk = 0.0030211 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 166) = ( 0.0052263 -0.0254936 -0.0447673), wk = 0.0030211 k( 167) = ( 0.0104525 -0.0509872 -0.0895347), wk = 0.0030211 k( 168) = ( 0.0156788 -0.0764808 -0.1343021), wk = 0.0030211 k( 169) = ( 0.0209051 -0.1019744 -0.1790694), wk = 0.0030211 k( 170) = ( 0.0261313 -0.1274679 -0.2238368), wk = 0.0030211 k( 171) = ( 0.0313576 -0.1529615 -0.2686041), wk = 0.0030211 k( 172) = ( 0.0365838 -0.1784551 -0.3133714), wk = 0.0030211 k( 173) = ( 0.0418101 -0.2039487 -0.3581388), wk = 0.0030211 k( 174) = ( 0.0470364 -0.2294423 -0.4029062), wk = 0.0030211 k( 175) = ( 0.0522626 -0.2549359 -0.4476735), wk = 0.0030211 k( 176) = ( 0.0574889 -0.2804295 -0.4924409), wk = 0.0030211 k( 177) = ( 0.0627151 -0.3059230 -0.5372082), wk = 0.0030211 k( 178) = ( 0.0679414 -0.3314166 -0.5819755), wk = 0.0030211 k( 179) = ( 0.0731677 -0.3569103 -0.6267429), wk = 0.0030211 k( 180) = ( 0.0783939 -0.3824038 -0.6715103), wk = 0.0030211 k( 181) = ( 0.0836202 -0.4078974 -0.7162776), wk = 0.0030211 k( 182) = ( 0.0888464 -0.4333910 -0.7610449), wk = 0.0030211 k( 183) = ( 0.0940727 -0.4588846 -0.8058123), wk = 0.0030211 k( 184) = ( 0.0992990 -0.4843782 -0.8505797), wk = 0.0030211 k( 185) = ( 0.1045252 -0.5098718 -0.8953470), wk = 0.0030211 k( 186) = ( 0.1097515 -0.5353654 -0.9401144), wk = 0.0030211 k( 187) = ( 0.1149778 -0.5608589 -0.9848817), wk = 0.0030211 k( 188) = ( 0.1202040 -0.5863525 -1.0296490), wk = 0.0030211 k( 189) = ( 0.1254303 -0.6118461 -1.0744165), wk = 0.0030211 k( 190) = ( 0.1306566 -0.6373397 -1.1191838), wk = 0.0030211 k( 191) = ( 0.1358828 -0.6628333 -1.1639511), wk = 0.0030211 k( 192) = ( 0.1411091 -0.6883269 -1.2087185), wk = 0.0030211 k( 193) = ( 0.1463353 -0.7138205 -1.2534858), wk = 0.0030211 k( 194) = ( 0.1515616 -0.7393140 -1.2982531), wk = 0.0030211 k( 195) = ( 0.1567879 -0.7648077 -1.3430206), wk = 0.0030211 k( 196) = ( 0.1620141 -0.7903013 -1.3877879), wk = 0.0030211 k( 197) = ( 0.1672404 -0.8157948 -1.4325552), wk = 0.0030211 k( 198) = ( 0.1724666 -0.8412884 -1.4773226), wk = 0.0030211 k( 199) = ( 0.1776929 -0.8667820 -1.5220899), wk = 0.0030211 k( 200) = ( 0.1829192 -0.8922756 -1.5668573), wk = 0.0030211 k( 201) = ( 0.1881454 -0.9177692 -1.6116246), wk = 0.0030211 k( 202) = ( 0.1933717 -0.9432628 -1.6563920), wk = 0.0030211 k( 203) = ( 0.1985979 -0.9687564 -1.7011593), wk = 0.0030211 k( 204) = ( 0.2038242 -0.9942499 -1.7459266), wk = 0.0030211 k( 205) = ( 0.2090505 -1.0197436 -1.7906941), wk = 0.0030211 k( 206) = ( 0.2142767 -1.0452371 -1.8354614), wk = 0.0030211 k( 207) = ( 0.2195030 -1.0707307 -1.8802287), wk = 0.0030211 k( 208) = ( 0.2247293 -1.0962243 -1.9249961), wk = 0.0030211 k( 209) = ( 0.2299555 -1.1217179 -1.9697634), wk = 0.0030211 k( 210) = ( 0.2351818 -1.1472115 -2.0145307), wk = 0.0030211 k( 211) = ( 0.2404081 -1.1727051 -2.0592982), wk = 0.0030211 k( 212) = ( 0.2456343 -1.1981987 -2.1040655), wk = 0.0030211 k( 213) = ( 0.2508606 -1.2236922 -2.1488328), wk = 0.0030211 k( 214) = ( 0.2560868 -1.2491858 -2.1936002), wk = 0.0030211 k( 215) = ( 0.2613131 -1.2746794 -2.2383675), wk = 0.0030211 k( 216) = ( 0.2665394 -1.3001730 -2.2831349), wk = 0.0030211 k( 217) = ( 0.2717656 -1.3256666 -2.3279023), wk = 0.0030211 k( 218) = ( 0.2769919 -1.3511602 -2.3726696), wk = 0.0030211 k( 219) = ( 0.2822181 -1.3766538 -2.4174369), wk = 0.0030211 k( 220) = ( 0.2874444 -1.4021474 -2.4622043), wk = 0.0030211 k( 221) = ( 0.2926707 -1.4276410 -2.5069717), wk = 0.0030211 k( 222) = ( 0.2978969 -1.4531346 -2.5517390), wk = 0.0030211 k( 223) = ( 0.3031232 -1.4786281 -2.5965063), wk = 0.0030211 k( 224) = ( 0.3083495 -1.5041217 -2.6412737), wk = 0.0030211 k( 225) = ( 0.3135757 -1.5296153 -2.6860410), wk = 0.0030211 k( 226) = ( 0.3188020 -1.5551089 -2.7308084), wk = 0.0030211 k( 227) = ( 0.3240282 -1.5806025 -2.7755758), wk = 0.0030211 k( 228) = ( 0.3292545 -1.6060961 -2.8203431), wk = 0.0030211 k( 229) = ( 0.3344808 -1.6315897 -2.8651104), wk = 0.0030211 k( 230) = ( 0.6655192 -1.5808664 -2.8356244), wk = 0.0030211 k( 231) = ( 0.6603468 -1.5298791 -2.8356244), wk = 0.0030211 k( 232) = ( 0.6551743 -1.4788920 -2.8356244), wk = 0.0030211 k( 233) = ( 0.6500018 -1.4279048 -2.8356244), wk = 0.0030211 k( 234) = ( 0.6448293 -1.3769176 -2.8356244), wk = 0.0030211 k( 235) = ( 0.6396569 -1.3259305 -2.8356244), wk = 0.0030211 k( 236) = ( 0.6344844 -1.2749433 -2.8356244), wk = 0.0030211 k( 237) = ( 0.6293119 -1.2239562 -2.8356244), wk = 0.0030211 k( 238) = ( 0.6241394 -1.1729689 -2.8356244), wk = 0.0030211 k( 239) = ( 0.6189670 -1.1219817 -2.8356244), wk = 0.0030211 k( 240) = ( 0.6137945 -1.0709946 -2.8356244), wk = 0.0030211 k( 241) = ( 0.6086220 -1.0200074 -2.8356244), wk = 0.0030211 k( 242) = ( 0.6034495 -0.9690202 -2.8356244), wk = 0.0030211 k( 243) = ( 0.5982770 -0.9180331 -2.8356244), wk = 0.0030211 k( 244) = ( 0.5931046 -0.8670459 -2.8356244), wk = 0.0030211 k( 245) = ( 0.5879321 -0.8160587 -2.8356244), wk = 0.0030211 k( 246) = ( 0.5827596 -0.7650715 -2.8356244), wk = 0.0030211 k( 247) = ( 0.5775871 -0.7140843 -2.8356244), wk = 0.0030211 k( 248) = ( 0.5724147 -0.6630972 -2.8356244), wk = 0.0030211 k( 249) = ( 0.5672422 -0.6121100 -2.8356244), wk = 0.0030211 k( 250) = ( 0.5620697 -0.5611228 -2.8356244), wk = 0.0030211 k( 251) = ( 0.5568972 -0.5101357 -2.8356244), wk = 0.0030211 k( 252) = ( 0.5517248 -0.4591484 -2.8356244), wk = 0.0030211 k( 253) = ( 0.5465523 -0.4081613 -2.8356244), wk = 0.0030211 k( 254) = ( 0.5413798 -0.3571741 -2.8356244), wk = 0.0030211 k( 255) = ( 0.5362073 -0.3061869 -2.8356244), wk = 0.0030211 k( 256) = ( 0.5310349 -0.2551998 -2.8356244), wk = 0.0030211 k( 257) = ( 0.5258624 -0.2042126 -2.8356244), wk = 0.0030211 k( 258) = ( 0.5206899 -0.1532254 -2.8356244), wk = 0.0030211 k( 259) = ( 0.5155174 -0.1022382 -2.8356244), wk = 0.0030211 k( 260) = ( 0.5103450 -0.0512510 -2.8356244), wk = 0.0030211 k( 261) = ( 0.5051725 -0.0002639 -2.8356244), wk = 0.0030211 k( 262) = ( 0.5000000 0.0507233 -2.8356244), wk = 0.0030211 k( 263) = ( 0.5000000 0.0507233 -2.8356244), wk = 0.0030211 k( 264) = ( 0.5413798 0.0549211 -2.8282529), wk = 0.0030211 k( 265) = ( 0.5827596 0.0591190 -2.8208814), wk = 0.0030211 k( 266) = ( 0.6241394 0.0633168 -2.8135099), wk = 0.0030211 k( 267) = ( 0.6655192 0.0675147 -2.8061384), wk = 0.0030211 k( 268) = ( 0.6655192 0.0675147 -2.8061384), wk = 0.0030211 k( 269) = ( 0.6625098 0.0672094 -2.7545816), wk = 0.0030211 k( 270) = ( 0.6595004 0.0669041 -2.7030248), wk = 0.0030211 k( 271) = ( 0.6564909 0.0665988 -2.6514680), wk = 0.0030211 k( 272) = ( 0.6534815 0.0662935 -2.5999111), wk = 0.0030211 k( 273) = ( 0.6504720 0.0659882 -2.5483543), wk = 0.0030211 k( 274) = ( 0.6474626 0.0656829 -2.4967975), wk = 0.0030211 k( 275) = ( 0.6444532 0.0653776 -2.4452407), wk = 0.0030211 k( 276) = ( 0.6414437 0.0650723 -2.3936839), wk = 0.0030211 k( 277) = ( 0.6384343 0.0647670 -2.3421271), wk = 0.0030211 k( 278) = ( 0.6354248 0.0644617 -2.2905703), wk = 0.0030211 k( 279) = ( 0.6324154 0.0641564 -2.2390135), wk = 0.0030211 k( 280) = ( 0.6294059 0.0638511 -2.1874567), wk = 0.0030211 k( 281) = ( 0.6263965 0.0635458 -2.1358999), wk = 0.0030211 k( 282) = ( 0.6233871 0.0632405 -2.0843431), wk = 0.0030211 k( 283) = ( 0.6203776 0.0629352 -2.0327863), wk = 0.0030211 k( 284) = ( 0.6173682 0.0626299 -1.9812295), wk = 0.0030211 k( 285) = ( 0.6143587 0.0623246 -1.9296727), wk = 0.0030211 k( 286) = ( 0.6113493 0.0620193 -1.8781158), wk = 0.0030211 k( 287) = ( 0.6083399 0.0617140 -1.8265590), wk = 0.0030211 k( 288) = ( 0.6053304 0.0614087 -1.7750022), wk = 0.0030211 k( 289) = ( 0.6023210 0.0611034 -1.7234454), wk = 0.0030211 k( 290) = ( 0.5993115 0.0607981 -1.6718886), wk = 0.0030211 k( 291) = ( 0.5963021 0.0604928 -1.6203318), wk = 0.0030211 k( 292) = ( 0.5932927 0.0601875 -1.5687750), wk = 0.0030211 k( 293) = ( 0.5902832 0.0598822 -1.5172182), wk = 0.0030211 k( 294) = ( 0.5872738 0.0595769 -1.4656614), wk = 0.0030211 k( 295) = ( 0.5842643 0.0592716 -1.4141046), wk = 0.0030211 k( 296) = ( 0.5812549 0.0589663 -1.3625478), wk = 0.0030211 k( 297) = ( 0.5782455 0.0586610 -1.3109910), wk = 0.0030211 k( 298) = ( 0.5752360 0.0583557 -1.2594342), wk = 0.0030211 k( 299) = ( 0.5722266 0.0580504 -1.2078773), wk = 0.0030211 k( 300) = ( 0.5692171 0.0577451 -1.1563205), wk = 0.0030211 k( 301) = ( 0.5662077 0.0574399 -1.1047637), wk = 0.0030211 k( 302) = ( 0.5631983 0.0571346 -1.0532069), wk = 0.0030211 k( 303) = ( 0.5601888 0.0568293 -1.0016501), wk = 0.0030211 k( 304) = ( 0.5571794 0.0565240 -0.9500933), wk = 0.0030211 k( 305) = ( 0.5541699 0.0562187 -0.8985365), wk = 0.0030211 k( 306) = ( 0.5511605 0.0559134 -0.8469796), wk = 0.0030211 k( 307) = ( 0.5481510 0.0556081 -0.7954229), wk = 0.0030211 k( 308) = ( 0.5451416 0.0553028 -0.7438661), wk = 0.0030211 k( 309) = ( 0.5421322 0.0549975 -0.6923093), wk = 0.0030211 k( 310) = ( 0.5391227 0.0546922 -0.6407525), wk = 0.0030211 k( 311) = ( 0.5361133 0.0543869 -0.5891957), wk = 0.0030211 k( 312) = ( 0.5331039 0.0540816 -0.5376389), wk = 0.0030211 k( 313) = ( 0.5300944 0.0537763 -0.4860820), wk = 0.0030211 k( 314) = ( 0.5270850 0.0534710 -0.4345252), wk = 0.0030211 k( 315) = ( 0.5240755 0.0531657 -0.3829684), wk = 0.0030211 k( 316) = ( 0.5210661 0.0528604 -0.3314116), wk = 0.0030211 k( 317) = ( 0.5180566 0.0525551 -0.2798548), wk = 0.0030211 k( 318) = ( 0.5150472 0.0522498 -0.2282980), wk = 0.0030211 k( 319) = ( 0.5120378 0.0519445 -0.1767412), wk = 0.0030211 k( 320) = ( 0.5090283 0.0516392 -0.1251843), wk = 0.0030211 k( 321) = ( 0.5060189 0.0513339 -0.0736276), wk = 0.0030211 k( 322) = ( 0.5030094 0.0510286 -0.0220708), wk = 0.0030211 k( 323) = ( 0.5000000 0.0507233 0.0294860), wk = 0.0030211 k( 324) = ( 0.5000000 -2.4389888 -1.4178122), wk = 0.0030211 k( 325) = ( 0.5472912 -2.4317426 -1.4135999), wk = 0.0030211 k( 326) = ( 0.5945824 -2.4244964 -1.4093876), wk = 0.0030211 k( 327) = ( 0.6418736 -2.4172502 -1.4051753), wk = 0.0030211 k( 328) = ( 0.6891649 -2.4100041 -1.4009631), wk = 0.0030211 k( 329) = ( 0.7364561 -2.4027579 -1.3967507), wk = 0.0030211 k( 330) = ( 0.7837473 -2.3955117 -1.3925385), wk = 0.0030211 k( 331) = ( 0.8310385 -2.3882655 -1.3883262), wk = 0.0030211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0090909 0.0000000 0.0000000), wk = 0.0030211 k( 3) = ( 0.0181818 0.0000000 0.0000000), wk = 0.0030211 k( 4) = ( 0.0272727 0.0000000 0.0000000), wk = 0.0030211 k( 5) = ( 0.0363636 0.0000000 0.0000000), wk = 0.0030211 k( 6) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0030211 k( 7) = ( 0.0545455 0.0000000 0.0000000), wk = 0.0030211 k( 8) = ( 0.0636364 0.0000000 0.0000000), wk = 0.0030211 k( 9) = ( 0.0727273 0.0000000 0.0000000), wk = 0.0030211 k( 10) = ( 0.0818182 0.0000000 0.0000000), wk = 0.0030211 k( 11) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0030211 k( 12) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0030211 k( 13) = ( 0.1090909 0.0000000 0.0000000), wk = 0.0030211 k( 14) = ( 0.1181818 0.0000000 0.0000000), wk = 0.0030211 k( 15) = ( 0.1272727 0.0000000 0.0000000), wk = 0.0030211 k( 16) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0030211 k( 17) = ( 0.1454545 0.0000000 0.0000000), wk = 0.0030211 k( 18) = ( 0.1545455 0.0000000 0.0000000), wk = 0.0030211 k( 19) = ( 0.1636364 0.0000000 0.0000000), wk = 0.0030211 k( 20) = ( 0.1727273 0.0000000 0.0000000), wk = 0.0030211 k( 21) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0030211 k( 22) = ( 0.1909091 0.0000000 0.0000000), wk = 0.0030211 k( 23) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0030211 k( 24) = ( 0.2090909 0.0000000 0.0000000), wk = 0.0030211 k( 25) = ( 0.2181818 0.0000000 0.0000000), wk = 0.0030211 k( 26) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0030211 k( 27) = ( 0.2363636 0.0000000 0.0000000), wk = 0.0030211 k( 28) = ( 0.2454545 0.0000000 0.0000000), wk = 0.0030211 k( 29) = ( 0.2545455 0.0000000 0.0000000), wk = 0.0030211 k( 30) = ( 0.2636364 0.0000000 0.0000000), wk = 0.0030211 k( 31) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0030211 k( 32) = ( 0.2818182 0.0000000 0.0000000), wk = 0.0030211 k( 33) = ( 0.2909091 0.0000000 0.0000000), wk = 0.0030211 k( 34) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0030211 k( 35) = ( 0.3090909 0.0000000 0.0000000), wk = 0.0030211 k( 36) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0030211 k( 37) = ( 0.3272727 0.0000000 0.0000000), wk = 0.0030211 k( 38) = ( 0.3363636 0.0000000 0.0000000), wk = 0.0030211 k( 39) = ( 0.3454546 0.0000000 0.0000000), wk = 0.0030211 k( 40) = ( 0.3545454 0.0000000 0.0000000), wk = 0.0030211 k( 41) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0030211 k( 42) = ( 0.3727273 0.0000000 0.0000000), wk = 0.0030211 k( 43) = ( 0.3818182 0.0000000 0.0000000), wk = 0.0030211 k( 44) = ( 0.3909091 0.0000000 0.0000000), wk = 0.0030211 k( 45) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0030211 k( 46) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0030211 k( 47) = ( 0.4181818 0.0000000 0.0000000), wk = 0.0030211 k( 48) = ( 0.4272727 0.0000000 0.0000000), wk = 0.0030211 k( 49) = ( 0.4363636 0.0000000 0.0000000), wk = 0.0030211 k( 50) = ( 0.4454546 0.0000000 0.0000000), wk = 0.0030211 k( 51) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0030211 k( 52) = ( 0.4636364 0.0000000 0.0000000), wk = 0.0030211 k( 53) = ( 0.4727273 0.0000000 0.0000000), wk = 0.0030211 k( 54) = ( 0.4818182 0.0000000 0.0000000), wk = 0.0030211 k( 55) = ( 0.4909091 -0.0000000 0.0000000), wk = 0.0030211 k( 56) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030211 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030211 k( 58) = ( 0.5000000 0.0052800 -0.0052800), wk = 0.0030211 k( 59) = ( 0.5000000 0.0105601 -0.0105601), wk = 0.0030211 k( 60) = ( 0.5000000 0.0158401 -0.0158401), wk = 0.0030211 k( 61) = ( 0.5000000 0.0211202 -0.0211202), wk = 0.0030211 k( 62) = ( 0.5000000 0.0264002 -0.0264002), wk = 0.0030211 k( 63) = ( 0.5000000 0.0316803 -0.0316803), wk = 0.0030211 k( 64) = ( 0.5000000 0.0369603 -0.0369603), wk = 0.0030211 k( 65) = ( 0.5000000 0.0422404 -0.0422404), wk = 0.0030211 k( 66) = ( 0.5000000 0.0475204 -0.0475204), wk = 0.0030211 k( 67) = ( 0.5000000 0.0528005 -0.0528005), wk = 0.0030211 k( 68) = ( 0.5000000 0.0580805 -0.0580805), wk = 0.0030211 k( 69) = ( 0.5000000 0.0633606 -0.0633606), wk = 0.0030211 k( 70) = ( 0.5000000 0.0686406 -0.0686406), wk = 0.0030211 k( 71) = ( 0.5000000 0.0739207 -0.0739207), wk = 0.0030211 k( 72) = ( 0.5000000 0.0792007 -0.0792007), wk = 0.0030211 k( 73) = ( 0.5000000 0.0844808 -0.0844808), wk = 0.0030211 k( 74) = ( 0.5000000 0.0897608 -0.0897608), wk = 0.0030211 k( 75) = ( 0.5000000 0.0950409 -0.0950409), wk = 0.0030211 k( 76) = ( 0.5000000 0.1003209 -0.1003209), wk = 0.0030211 k( 77) = ( 0.5000000 0.1056010 -0.1056009), wk = 0.0030211 k( 78) = ( 0.5000000 0.1108810 -0.1108810), wk = 0.0030211 k( 79) = ( 0.5000000 0.1161611 -0.1161610), wk = 0.0030211 k( 80) = ( 0.5000000 0.1214411 -0.1214411), wk = 0.0030211 k( 81) = ( 0.5000000 0.1267211 -0.1267211), wk = 0.0030211 k( 82) = ( 0.5000000 0.1320012 -0.1320012), wk = 0.0030211 k( 83) = ( 0.5000000 0.1372812 -0.1372812), wk = 0.0030211 k( 84) = ( 0.5000000 0.1425613 -0.1425613), wk = 0.0030211 k( 85) = ( 0.5000000 0.1478413 -0.1478413), wk = 0.0030211 k( 86) = ( 0.5000000 0.1531214 -0.1531214), wk = 0.0030211 k( 87) = ( 0.5000000 0.1584014 -0.1584014), wk = 0.0030211 k( 88) = ( 0.5000000 0.1636815 -0.1636815), wk = 0.0030211 k( 89) = ( 0.5000000 0.1689615 -0.1689615), wk = 0.0030211 k( 90) = ( 0.8310385 0.5000000 0.1689615), wk = 0.0030211 k( 91) = ( 0.8257839 0.5000000 0.1742161), wk = 0.0030211 k( 92) = ( 0.8205293 0.5000000 0.1794707), wk = 0.0030211 k( 93) = ( 0.8152747 0.5000000 0.1847253), wk = 0.0030211 k( 94) = ( 0.8100202 0.5000000 0.1899798), wk = 0.0030211 k( 95) = ( 0.8047656 0.5000000 0.1952344), wk = 0.0030211 k( 96) = ( 0.7995110 0.5000000 0.2004890), wk = 0.0030211 k( 97) = ( 0.7942564 0.5000000 0.2057436), wk = 0.0030211 k( 98) = ( 0.7890019 0.5000000 0.2109982), wk = 0.0030211 k( 99) = ( 0.7837473 0.5000000 0.2162527), wk = 0.0030211 k( 100) = ( 0.7784927 0.5000000 0.2215073), wk = 0.0030211 k( 101) = ( 0.7732381 0.5000000 0.2267619), wk = 0.0030211 k( 102) = ( 0.7679835 0.5000000 0.2320165), wk = 0.0030211 k( 103) = ( 0.7627289 0.5000000 0.2372711), wk = 0.0030211 k( 104) = ( 0.7574744 0.5000000 0.2425256), wk = 0.0030211 k( 105) = ( 0.7522198 0.5000000 0.2477802), wk = 0.0030211 k( 106) = ( 0.7469652 0.5000000 0.2530348), wk = 0.0030211 k( 107) = ( 0.7417106 0.5000000 0.2582894), wk = 0.0030211 k( 108) = ( 0.7364561 0.5000000 0.2635439), wk = 0.0030211 k( 109) = ( 0.7312015 0.5000000 0.2687985), wk = 0.0030211 k( 110) = ( 0.7259469 0.5000000 0.2740531), wk = 0.0030211 k( 111) = ( 0.7206923 0.5000000 0.2793077), wk = 0.0030211 k( 112) = ( 0.7154377 0.5000000 0.2845623), wk = 0.0030211 k( 113) = ( 0.7101832 0.5000000 0.2898168), wk = 0.0030211 k( 114) = ( 0.7049286 0.5000000 0.2950714), wk = 0.0030211 k( 115) = ( 0.6996740 0.5000000 0.3003260), wk = 0.0030211 k( 116) = ( 0.6944194 0.5000000 0.3055806), wk = 0.0030211 k( 117) = ( 0.6891649 0.5000000 0.3108352), wk = 0.0030211 k( 118) = ( 0.6839103 0.5000000 0.3160897), wk = 0.0030211 k( 119) = ( 0.6786557 0.5000000 0.3213443), wk = 0.0030211 k( 120) = ( 0.6734011 0.5000000 0.3265989), wk = 0.0030211 k( 121) = ( 0.6681465 0.5000000 0.3318535), wk = 0.0030211 k( 122) = ( 0.6628920 0.5000000 0.3371081), wk = 0.0030211 k( 123) = ( 0.6576374 0.5000000 0.3423626), wk = 0.0030211 k( 124) = ( 0.6523828 0.5000000 0.3476172), wk = 0.0030211 k( 125) = ( 0.6471282 0.5000000 0.3528718), wk = 0.0030211 k( 126) = ( 0.6418736 0.5000000 0.3581264), wk = 0.0030211 k( 127) = ( 0.6366191 0.5000000 0.3633809), wk = 0.0030211 k( 128) = ( 0.6313645 0.5000000 0.3686355), wk = 0.0030211 k( 129) = ( 0.6261099 0.5000000 0.3738901), wk = 0.0030211 k( 130) = ( 0.6208553 0.5000000 0.3791447), wk = 0.0030211 k( 131) = ( 0.6156007 0.5000000 0.3843993), wk = 0.0030211 k( 132) = ( 0.6103462 0.5000000 0.3896538), wk = 0.0030211 k( 133) = ( 0.6050916 0.5000000 0.3949084), wk = 0.0030211 k( 134) = ( 0.5998370 0.5000000 0.4001630), wk = 0.0030211 k( 135) = ( 0.5945824 0.5000000 0.4054176), wk = 0.0030211 k( 136) = ( 0.5893278 0.5000000 0.4106722), wk = 0.0030211 k( 137) = ( 0.5840733 0.5000000 0.4159267), wk = 0.0030211 k( 138) = ( 0.5788187 0.5000000 0.4211813), wk = 0.0030211 k( 139) = ( 0.5735641 0.5000000 0.4264359), wk = 0.0030211 k( 140) = ( 0.5683095 0.5000000 0.4316905), wk = 0.0030211 k( 141) = ( 0.5630550 0.5000000 0.4369451), wk = 0.0030211 k( 142) = ( 0.5578004 0.5000000 0.4421996), wk = 0.0030211 k( 143) = ( 0.5525458 0.5000000 0.4474542), wk = 0.0030211 k( 144) = ( 0.5472912 0.5000000 0.4527088), wk = 0.0030211 k( 145) = ( 0.5420366 0.5000000 0.4579634), wk = 0.0030211 k( 146) = ( 0.5367821 0.5000000 0.4632180), wk = 0.0030211 k( 147) = ( 0.5315275 0.5000000 0.4684725), wk = 0.0030211 k( 148) = ( 0.5262729 0.5000000 0.4737271), wk = 0.0030211 k( 149) = ( 0.5210183 0.5000000 0.4789817), wk = 0.0030211 k( 150) = ( 0.5157637 0.5000000 0.4842363), wk = 0.0030211 k( 151) = ( 0.5105092 0.5000000 0.4894908), wk = 0.0030211 k( 152) = ( 0.5052546 0.5000000 0.4947454), wk = 0.0030211 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 155) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0030211 k( 156) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0030211 k( 157) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0030211 k( 158) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0030211 k( 159) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030211 k( 160) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0030211 k( 161) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0030211 k( 162) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0030211 k( 163) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0030211 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 166) = ( 0.0052263 0.0000000 -0.0052263), wk = 0.0030211 k( 167) = ( 0.0104525 0.0000000 -0.0104525), wk = 0.0030211 k( 168) = ( 0.0156788 0.0000000 -0.0156788), wk = 0.0030211 k( 169) = ( 0.0209051 0.0000000 -0.0209050), wk = 0.0030211 k( 170) = ( 0.0261313 0.0000000 -0.0261313), wk = 0.0030211 k( 171) = ( 0.0313576 0.0000000 -0.0313576), wk = 0.0030211 k( 172) = ( 0.0365838 0.0000000 -0.0365838), wk = 0.0030211 k( 173) = ( 0.0418101 0.0000000 -0.0418101), wk = 0.0030211 k( 174) = ( 0.0470364 0.0000000 -0.0470364), wk = 0.0030211 k( 175) = ( 0.0522626 0.0000000 -0.0522626), wk = 0.0030211 k( 176) = ( 0.0574889 0.0000000 -0.0574889), wk = 0.0030211 k( 177) = ( 0.0627151 0.0000000 -0.0627151), wk = 0.0030211 k( 178) = ( 0.0679414 0.0000000 -0.0679414), wk = 0.0030211 k( 179) = ( 0.0731677 0.0000000 -0.0731677), wk = 0.0030211 k( 180) = ( 0.0783939 0.0000000 -0.0783939), wk = 0.0030211 k( 181) = ( 0.0836202 0.0000000 -0.0836202), wk = 0.0030211 k( 182) = ( 0.0888464 0.0000000 -0.0888464), wk = 0.0030211 k( 183) = ( 0.0940727 0.0000000 -0.0940727), wk = 0.0030211 k( 184) = ( 0.0992990 0.0000000 -0.0992990), wk = 0.0030211 k( 185) = ( 0.1045252 0.0000000 -0.1045252), wk = 0.0030211 k( 186) = ( 0.1097515 0.0000000 -0.1097515), wk = 0.0030211 k( 187) = ( 0.1149778 0.0000000 -0.1149778), wk = 0.0030211 k( 188) = ( 0.1202040 0.0000000 -0.1202040), wk = 0.0030211 k( 189) = ( 0.1254303 0.0000000 -0.1254303), wk = 0.0030211 k( 190) = ( 0.1306566 0.0000000 -0.1306566), wk = 0.0030211 k( 191) = ( 0.1358828 0.0000000 -0.1358828), wk = 0.0030211 k( 192) = ( 0.1411091 0.0000000 -0.1411091), wk = 0.0030211 k( 193) = ( 0.1463353 0.0000000 -0.1463353), wk = 0.0030211 k( 194) = ( 0.1515616 0.0000000 -0.1515616), wk = 0.0030211 k( 195) = ( 0.1567879 0.0000000 -0.1567879), wk = 0.0030211 k( 196) = ( 0.1620141 0.0000000 -0.1620141), wk = 0.0030211 k( 197) = ( 0.1672404 0.0000000 -0.1672404), wk = 0.0030211 k( 198) = ( 0.1724666 0.0000000 -0.1724666), wk = 0.0030211 k( 199) = ( 0.1776929 0.0000000 -0.1776929), wk = 0.0030211 k( 200) = ( 0.1829192 0.0000000 -0.1829192), wk = 0.0030211 k( 201) = ( 0.1881454 0.0000000 -0.1881454), wk = 0.0030211 k( 202) = ( 0.1933717 0.0000000 -0.1933717), wk = 0.0030211 k( 203) = ( 0.1985979 0.0000000 -0.1985979), wk = 0.0030211 k( 204) = ( 0.2038242 0.0000000 -0.2038242), wk = 0.0030211 k( 205) = ( 0.2090505 0.0000000 -0.2090505), wk = 0.0030211 k( 206) = ( 0.2142767 0.0000000 -0.2142767), wk = 0.0030211 k( 207) = ( 0.2195030 0.0000000 -0.2195030), wk = 0.0030211 k( 208) = ( 0.2247293 0.0000000 -0.2247293), wk = 0.0030211 k( 209) = ( 0.2299555 0.0000000 -0.2299555), wk = 0.0030211 k( 210) = ( 0.2351818 0.0000000 -0.2351818), wk = 0.0030211 k( 211) = ( 0.2404081 0.0000000 -0.2404081), wk = 0.0030211 k( 212) = ( 0.2456343 0.0000000 -0.2456343), wk = 0.0030211 k( 213) = ( 0.2508606 0.0000000 -0.2508606), wk = 0.0030211 k( 214) = ( 0.2560868 0.0000000 -0.2560868), wk = 0.0030211 k( 215) = ( 0.2613131 0.0000000 -0.2613131), wk = 0.0030211 k( 216) = ( 0.2665394 0.0000000 -0.2665394), wk = 0.0030211 k( 217) = ( 0.2717656 0.0000000 -0.2717656), wk = 0.0030211 k( 218) = ( 0.2769919 0.0000000 -0.2769919), wk = 0.0030211 k( 219) = ( 0.2822181 0.0000000 -0.2822181), wk = 0.0030211 k( 220) = ( 0.2874444 0.0000000 -0.2874444), wk = 0.0030211 k( 221) = ( 0.2926707 0.0000000 -0.2926707), wk = 0.0030211 k( 222) = ( 0.2978969 0.0000000 -0.2978969), wk = 0.0030211 k( 223) = ( 0.3031232 0.0000000 -0.3031232), wk = 0.0030211 k( 224) = ( 0.3083495 0.0000000 -0.3083495), wk = 0.0030211 k( 225) = ( 0.3135757 0.0000000 -0.3135757), wk = 0.0030211 k( 226) = ( 0.3188020 0.0000000 -0.3188020), wk = 0.0030211 k( 227) = ( 0.3240282 0.0000000 -0.3240282), wk = 0.0030211 k( 228) = ( 0.3292545 0.0000000 -0.3292545), wk = 0.0030211 k( 229) = ( 0.3344808 0.0000000 -0.3344808), wk = 0.0030211 k( 230) = ( 0.6655192 0.3344808 0.0000000), wk = 0.0030211 k( 231) = ( 0.6603468 0.3396532 0.0000000), wk = 0.0030211 k( 232) = ( 0.6551743 0.3448257 0.0000000), wk = 0.0030211 k( 233) = ( 0.6500018 0.3499982 0.0000000), wk = 0.0030211 k( 234) = ( 0.6448293 0.3551707 0.0000000), wk = 0.0030211 k( 235) = ( 0.6396569 0.3603431 0.0000000), wk = 0.0030211 k( 236) = ( 0.6344844 0.3655156 0.0000000), wk = 0.0030211 k( 237) = ( 0.6293119 0.3706881 0.0000000), wk = 0.0030211 k( 238) = ( 0.6241394 0.3758606 0.0000000), wk = 0.0030211 k( 239) = ( 0.6189670 0.3810330 0.0000000), wk = 0.0030211 k( 240) = ( 0.6137945 0.3862055 0.0000000), wk = 0.0030211 k( 241) = ( 0.6086220 0.3913780 0.0000000), wk = 0.0030211 k( 242) = ( 0.6034495 0.3965505 0.0000000), wk = 0.0030211 k( 243) = ( 0.5982770 0.4017229 0.0000000), wk = 0.0030211 k( 244) = ( 0.5931046 0.4068954 0.0000000), wk = 0.0030211 k( 245) = ( 0.5879321 0.4120679 0.0000000), wk = 0.0030211 k( 246) = ( 0.5827596 0.4172404 0.0000000), wk = 0.0030211 k( 247) = ( 0.5775871 0.4224129 0.0000000), wk = 0.0030211 k( 248) = ( 0.5724147 0.4275853 -0.0000000), wk = 0.0030211 k( 249) = ( 0.5672422 0.4327578 -0.0000000), wk = 0.0030211 k( 250) = ( 0.5620697 0.4379303 0.0000000), wk = 0.0030211 k( 251) = ( 0.5568972 0.4431028 -0.0000000), wk = 0.0030211 k( 252) = ( 0.5517248 0.4482752 0.0000000), wk = 0.0030211 k( 253) = ( 0.5465523 0.4534477 0.0000000), wk = 0.0030211 k( 254) = ( 0.5413798 0.4586202 0.0000000), wk = 0.0030211 k( 255) = ( 0.5362073 0.4637927 -0.0000000), wk = 0.0030211 k( 256) = ( 0.5310349 0.4689651 0.0000000), wk = 0.0030211 k( 257) = ( 0.5258624 0.4741376 -0.0000000), wk = 0.0030211 k( 258) = ( 0.5206899 0.4793101 0.0000000), wk = 0.0030211 k( 259) = ( 0.5155174 0.4844826 0.0000000), wk = 0.0030211 k( 260) = ( 0.5103450 0.4896550 0.0000000), wk = 0.0030211 k( 261) = ( 0.5051725 0.4948275 0.0000000), wk = 0.0030211 k( 262) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030211 k( 263) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030211 k( 264) = ( 0.5413798 0.5413798 0.0422404), wk = 0.0030211 k( 265) = ( 0.5827596 0.5827596 0.0844808), wk = 0.0030211 k( 266) = ( 0.6241394 0.6241394 0.1267211), wk = 0.0030211 k( 267) = ( 0.6655192 0.6655192 0.1689615), wk = 0.0030211 k( 268) = ( 0.6655192 0.6655192 0.1689615), wk = 0.0030211 k( 269) = ( 0.6625098 0.6625098 0.1749804), wk = 0.0030211 k( 270) = ( 0.6595004 0.6595004 0.1809993), wk = 0.0030211 k( 271) = ( 0.6564909 0.6564909 0.1870182), wk = 0.0030211 k( 272) = ( 0.6534815 0.6534815 0.1930371), wk = 0.0030211 k( 273) = ( 0.6504720 0.6504720 0.1990559), wk = 0.0030211 k( 274) = ( 0.6474626 0.6474626 0.2050748), wk = 0.0030211 k( 275) = ( 0.6444532 0.6444532 0.2110937), wk = 0.0030211 k( 276) = ( 0.6414437 0.6414437 0.2171126), wk = 0.0030211 k( 277) = ( 0.6384343 0.6384343 0.2231315), wk = 0.0030211 k( 278) = ( 0.6354248 0.6354248 0.2291503), wk = 0.0030211 k( 279) = ( 0.6324154 0.6324154 0.2351692), wk = 0.0030211 k( 280) = ( 0.6294059 0.6294059 0.2411881), wk = 0.0030211 k( 281) = ( 0.6263965 0.6263965 0.2472070), wk = 0.0030211 k( 282) = ( 0.6233871 0.6233871 0.2532259), wk = 0.0030211 k( 283) = ( 0.6203776 0.6203776 0.2592447), wk = 0.0030211 k( 284) = ( 0.6173682 0.6173682 0.2652636), wk = 0.0030211 k( 285) = ( 0.6143587 0.6143587 0.2712825), wk = 0.0030211 k( 286) = ( 0.6113493 0.6113493 0.2773014), wk = 0.0030211 k( 287) = ( 0.6083399 0.6083399 0.2833203), wk = 0.0030211 k( 288) = ( 0.6053304 0.6053304 0.2893392), wk = 0.0030211 k( 289) = ( 0.6023210 0.6023210 0.2953580), wk = 0.0030211 k( 290) = ( 0.5993115 0.5993115 0.3013769), wk = 0.0030211 k( 291) = ( 0.5963021 0.5963021 0.3073958), wk = 0.0030211 k( 292) = ( 0.5932927 0.5932927 0.3134147), wk = 0.0030211 k( 293) = ( 0.5902832 0.5902832 0.3194336), wk = 0.0030211 k( 294) = ( 0.5872738 0.5872738 0.3254524), wk = 0.0030211 k( 295) = ( 0.5842643 0.5842643 0.3314713), wk = 0.0030211 k( 296) = ( 0.5812549 0.5812549 0.3374902), wk = 0.0030211 k( 297) = ( 0.5782455 0.5782455 0.3435091), wk = 0.0030211 k( 298) = ( 0.5752360 0.5752360 0.3495280), wk = 0.0030211 k( 299) = ( 0.5722266 0.5722266 0.3555469), wk = 0.0030211 k( 300) = ( 0.5692171 0.5692171 0.3615657), wk = 0.0030211 k( 301) = ( 0.5662077 0.5662077 0.3675846), wk = 0.0030211 k( 302) = ( 0.5631983 0.5631983 0.3736035), wk = 0.0030211 k( 303) = ( 0.5601888 0.5601888 0.3796224), wk = 0.0030211 k( 304) = ( 0.5571794 0.5571794 0.3856413), wk = 0.0030211 k( 305) = ( 0.5541699 0.5541699 0.3916601), wk = 0.0030211 k( 306) = ( 0.5511605 0.5511605 0.3976790), wk = 0.0030211 k( 307) = ( 0.5481510 0.5481510 0.4036979), wk = 0.0030211 k( 308) = ( 0.5451416 0.5451416 0.4097168), wk = 0.0030211 k( 309) = ( 0.5421322 0.5421322 0.4157357), wk = 0.0030211 k( 310) = ( 0.5391227 0.5391227 0.4217545), wk = 0.0030211 k( 311) = ( 0.5361133 0.5361133 0.4277734), wk = 0.0030211 k( 312) = ( 0.5331039 0.5331038 0.4337923), wk = 0.0030211 k( 313) = ( 0.5300944 0.5300944 0.4398112), wk = 0.0030211 k( 314) = ( 0.5270850 0.5270850 0.4458301), wk = 0.0030211 k( 315) = ( 0.5240755 0.5240755 0.4518490), wk = 0.0030211 k( 316) = ( 0.5210661 0.5210661 0.4578678), wk = 0.0030211 k( 317) = ( 0.5180566 0.5180566 0.4638867), wk = 0.0030211 k( 318) = ( 0.5150472 0.5150472 0.4699056), wk = 0.0030211 k( 319) = ( 0.5120378 0.5120378 0.4759245), wk = 0.0030211 k( 320) = ( 0.5090283 0.5090283 0.4819434), wk = 0.0030211 k( 321) = ( 0.5060189 0.5060189 0.4879622), wk = 0.0030211 k( 322) = ( 0.5030094 0.5030094 0.4939811), wk = 0.0030211 k( 323) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 324) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030211 k( 325) = ( 0.5472912 0.0477830 0.0477830), wk = 0.0030211 k( 326) = ( 0.5945824 0.0955659 0.0955659), wk = 0.0030211 k( 327) = ( 0.6418736 0.1433489 0.1433489), wk = 0.0030211 k( 328) = ( 0.6891649 0.1911319 0.1911319), wk = 0.0030211 k( 329) = ( 0.7364561 0.2389148 0.2389148), wk = 0.0030211 k( 330) = ( 0.7837473 0.2866978 0.2866978), wk = 0.0030211 k( 331) = ( 0.8310385 0.3344808 0.3344808), wk = 0.0030211 Dense grid: 104667 G-vectors FFT dimensions: ( 180, 180, 180) Smooth grid: 50137 G-vectors FFT dimensions: ( 144, 144, 144) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 274, 58) NL pseudopotentials 0.56 Mb ( 137, 268) Each V/rho on FFT grid 1.98 Mb ( 129600) Each G-vector array 0.02 Mb ( 2181) G-vector shells 0.01 Mb ( 1929) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.97 Mb ( 274, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.47 Mb ( 268, 2, 58) The potential is recalculated from file : ./Zr3xAl2C3x2.save/charge-density.dat Starting wfc are 134 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 74.5 secs Computing kpt #: 2 total cpu time spent up to now is 105.3 secs Computing kpt #: 3 total cpu time spent up to now is 136.6 secs Computing kpt #: 4 total cpu time spent up to now is 167.5 secs Computing kpt #: 5 total cpu time spent up to now is 198.5 secs Computing kpt #: 6 total cpu time spent up to now is 230.2 secs Computing kpt #: 7 total cpu time spent up to now is 263.5 secs Computing kpt #: 8 total cpu time spent up to now is 294.4 secs Computing kpt #: 9 total cpu time spent up to now is 325.7 secs Computing kpt #: 10 total cpu time spent up to now is 357.1 secs Computing kpt #: 11 total cpu time spent up to now is 388.2 secs Computing kpt #: 12 total cpu time spent up to now is 420.0 secs Computing kpt #: 13 total cpu time spent up to now is 451.5 secs Computing kpt #: 14 total cpu time spent up to now is 485.6 secs Computing kpt #: 15 total cpu time spent up to now is 519.6 secs Computing kpt #: 16 total cpu time spent up to now is 556.8 secs Computing kpt #: 17 total cpu time spent up to now is 591.3 secs Computing kpt #: 18 total cpu time spent up to now is 626.6 secs Computing kpt #: 19 total cpu time spent up to now is 661.0 secs Computing kpt #: 20 total cpu time spent up to now is 705.4 secs Computing kpt #: 21 total cpu time spent up to now is 739.8 secs Computing kpt #: 22 total cpu time spent up to now is 777.0 secs Computing kpt #: 23 total cpu time spent up to now is 814.4 secs Computing kpt #: 24 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 863.7 secs Computing kpt #: 25 total cpu time spent up to now is 904.3 secs Computing kpt #: 26 total cpu time spent up to now is 944.9 secs Computing kpt #: 27 total cpu time spent up to now is 985.9 secs Computing kpt #: 28 total cpu time spent up to now is 1027.6 secs Computing kpt #: 29 total cpu time spent up to now is 1068.2 secs Computing kpt #: 30 total cpu time spent up to now is 1106.0 secs Computing kpt #: 31 total cpu time spent up to now is 1145.1 secs Computing kpt #: 32 total cpu time spent up to now is 1182.5 secs Computing kpt #: 33 total cpu time spent up to now is 1216.4 secs Computing kpt #: 34 total cpu time spent up to now is 1249.3 secs Computing kpt #: 35 total cpu time spent up to now is 1281.7 secs Computing kpt #: 36 total cpu time spent up to now is 1314.4 secs Computing kpt #: 37 total cpu time spent up to now is 1346.8 secs Computing kpt #: 38 total cpu time spent up to now is 1379.4 secs Computing kpt #: 39 total cpu time spent up to now is 1411.7 secs Computing kpt #: 40 total cpu time spent up to now is 1447.4 secs Computing kpt #: 41 total cpu time spent up to now is 1480.0 secs Computing kpt #: 42 total cpu time spent up to now is 1512.5 secs Computing kpt #: 43 total cpu time spent up to now is 1545.7 secs Computing kpt #: 44 total cpu time spent up to now is 1581.7 secs Computing kpt #: 45 total cpu time spent up to now is 1618.0 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1662.0 secs Computing kpt #: 47 total cpu time spent up to now is 1701.6 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1748.9 secs Computing kpt #: 49 total cpu time spent up to now is 1789.1 secs Computing kpt #: 50 total cpu time spent up to now is 1826.0 secs Computing kpt #: 51 total cpu time spent up to now is 1866.8 secs Computing kpt #: 52 total cpu time spent up to now is 1907.3 secs Computing kpt #: 53 total cpu time spent up to now is 1948.0 secs Computing kpt #: 54 total cpu time spent up to now is 1988.5 secs Computing kpt #: 55 total cpu time spent up to now is 2028.4 secs Computing kpt #: 56 total cpu time spent up to now is 2069.4 secs Computing kpt #: 57 total cpu time spent up to now is 2109.0 secs Computing kpt #: 58 total cpu time spent up to now is 2149.4 secs Computing kpt #: 59 total cpu time spent up to now is 2189.8 secs Computing kpt #: 60 total cpu time spent up to now is 2230.0 secs Computing kpt #: 61 total cpu time spent up to now is 2270.8 secs Computing kpt #: 62 total cpu time spent up to now is 2314.3 secs Computing kpt #: 63 total cpu time spent up to now is 2359.1 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2403.9 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2448.6 secs Computing kpt #: 66 total cpu time spent up to now is 2488.8 secs Computing kpt #: 67 total cpu time spent up to now is 2528.8 secs Computing kpt #: 68 total cpu time spent up to now is 2565.7 secs Computing kpt #: 69 total cpu time spent up to now is 2603.1 secs Computing kpt #: 70 total cpu time spent up to now is 2643.3 secs Computing kpt #: 71 total cpu time spent up to now is 2680.9 secs Computing kpt #: 72 total cpu time spent up to now is 2718.5 secs Computing kpt #: 73 total cpu time spent up to now is 2756.4 secs Computing kpt #: 74 total cpu time spent up to now is 2797.3 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2843.1 secs Computing kpt #: 76 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2888.4 secs Computing kpt #: 77 total cpu time spent up to now is 2934.2 secs Computing kpt #: 78 total cpu time spent up to now is 2979.7 secs Computing kpt #: 79 total cpu time spent up to now is 3023.9 secs Computing kpt #: 80 total cpu time spent up to now is 3061.8 secs Computing kpt #: 81 total cpu time spent up to now is 3100.1 secs Computing kpt #: 82 total cpu time spent up to now is 3137.9 secs Computing kpt #: 83 total cpu time spent up to now is 3176.1 secs Computing kpt #: 84 total cpu time spent up to now is 3212.6 secs Computing kpt #: 85 total cpu time spent up to now is 3251.5 secs Computing kpt #: 86 total cpu time spent up to now is 3293.3 secs Computing kpt #: 87 total cpu time spent up to now is 3335.0 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3380.7 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3426.4 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3471.9 secs Computing kpt #: 91 total cpu time spent up to now is 3516.6 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3564.0 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3610.0 secs Computing kpt #: 94 total cpu time spent up to now is 3654.5 secs Computing kpt #: 95 total cpu time spent up to now is 3692.1 secs Computing kpt #: 96 total cpu time spent up to now is 3729.9 secs Computing kpt #: 97 total cpu time spent up to now is 3766.6 secs Computing kpt #: 98 total cpu time spent up to now is 3800.2 secs Computing kpt #: 99 total cpu time spent up to now is 3834.0 secs Computing kpt #: 100 total cpu time spent up to now is 3866.3 secs Computing kpt #: 101 total cpu time spent up to now is 3898.3 secs Computing kpt #: 102 total cpu time spent up to now is 3930.4 secs Computing kpt #: 103 total cpu time spent up to now is 3962.4 secs Computing kpt #: 104 total cpu time spent up to now is 3994.7 secs Computing kpt #: 105 total cpu time spent up to now is 4027.0 secs Computing kpt #: 106 total cpu time spent up to now is 4059.3 secs Computing kpt #: 107 total cpu time spent up to now is 4091.8 secs Computing kpt #: 108 total cpu time spent up to now is 4124.1 secs Computing kpt #: 109 total cpu time spent up to now is 4157.8 secs Computing kpt #: 110 total cpu time spent up to now is 4190.3 secs Computing kpt #: 111 total cpu time spent up to now is 4223.3 secs Computing kpt #: 112 total cpu time spent up to now is 4256.2 secs Computing kpt #: 113 total cpu time spent up to now is 4289.1 secs Computing kpt #: 114 total cpu time spent up to now is 4322.2 secs Computing kpt #: 115 total cpu time spent up to now is 4357.7 secs Computing kpt #: 116 total cpu time spent up to now is 4390.5 secs Computing kpt #: 117 total cpu time spent up to now is 4423.8 secs Computing kpt #: 118 total cpu time spent up to now is 4460.0 secs Computing kpt #: 119 total cpu time spent up to now is 4492.9 secs Computing kpt #: 120 total cpu time spent up to now is 4526.0 secs Computing kpt #: 121 total cpu time spent up to now is 4558.9 secs Computing kpt #: 122 total cpu time spent up to now is 4591.8 secs Computing kpt #: 123 total cpu time spent up to now is 4624.6 secs Computing kpt #: 124 total cpu time spent up to now is 4657.1 secs Computing kpt #: 125 total cpu time spent up to now is 4687.3 secs Computing kpt #: 126 total cpu time spent up to now is 4717.6 secs Computing kpt #: 127 total cpu time spent up to now is 4749.2 secs Computing kpt #: 128 total cpu time spent up to now is 4779.5 secs Computing kpt #: 129 total cpu time spent up to now is 4810.0 secs Computing kpt #: 130 total cpu time spent up to now is 4840.2 secs Computing kpt #: 131 total cpu time spent up to now is 4870.4 secs Computing kpt #: 132 total cpu time spent up to now is 4901.5 secs Computing kpt #: 133 total cpu time spent up to now is 4932.5 secs Computing kpt #: 134 total cpu time spent up to now is 4963.6 secs Computing kpt #: 135 total cpu time spent up to now is 4994.9 secs Computing kpt #: 136 total cpu time spent up to now is 5026.4 secs Computing kpt #: 137 total cpu time spent up to now is 5059.0 secs Computing kpt #: 138 total cpu time spent up to now is 5092.8 secs Computing kpt #: 139 total cpu time spent up to now is 5124.9 secs Computing kpt #: 140 total cpu time spent up to now is 5156.0 secs Computing kpt #: 141 total cpu time spent up to now is 5190.0 secs Computing kpt #: 142 total cpu time spent up to now is 5223.9 secs Computing kpt #: 143 total cpu time spent up to now is 5255.2 secs Computing kpt #: 144 total cpu time spent up to now is 5286.4 secs Computing kpt #: 145 total cpu time spent up to now is 5317.5 secs Computing kpt #: 146 total cpu time spent up to now is 5349.8 secs Computing kpt #: 147 total cpu time spent up to now is 5380.8 secs Computing kpt #: 148 total cpu time spent up to now is 5412.2 secs Computing kpt #: 149 total cpu time spent up to now is 5443.1 secs Computing kpt #: 150 total cpu time spent up to now is 5474.9 secs Computing kpt #: 151 total cpu time spent up to now is 5506.3 secs Computing kpt #: 152 total cpu time spent up to now is 5537.6 secs Computing kpt #: 153 total cpu time spent up to now is 5568.2 secs Computing kpt #: 154 total cpu time spent up to now is 5598.5 secs Computing kpt #: 155 total cpu time spent up to now is 5629.1 secs Computing kpt #: 156 total cpu time spent up to now is 5660.6 secs Computing kpt #: 157 total cpu time spent up to now is 5691.3 secs Computing kpt #: 158 total cpu time spent up to now is 5722.0 secs Computing kpt #: 159 total cpu time spent up to now is 5752.3 secs Computing kpt #: 160 total cpu time spent up to now is 5783.5 secs Computing kpt #: 161 total cpu time spent up to now is 5814.0 secs Computing kpt #: 162 total cpu time spent up to now is 5844.7 secs Computing kpt #: 163 total cpu time spent up to now is 5875.1 secs Computing kpt #: 164 total cpu time spent up to now is 5905.9 secs Computing kpt #: 165 total cpu time spent up to now is 5939.3 secs Computing kpt #: 166 total cpu time spent up to now is 5969.8 secs Computing kpt #: 167 total cpu time spent up to now is 6000.5 secs Computing kpt #: 168 total cpu time spent up to now is 6031.9 secs Computing kpt #: 169 total cpu time spent up to now is 6062.8 secs Computing kpt #: 170 total cpu time spent up to now is 6093.7 secs Computing kpt #: 171 total cpu time spent up to now is 6124.7 secs Computing kpt #: 172 total cpu time spent up to now is 6156.3 secs Computing kpt #: 173 total cpu time spent up to now is 6187.5 secs Computing kpt #: 174 total cpu time spent up to now is 6218.6 secs Computing kpt #: 175 total cpu time spent up to now is 6253.8 secs Computing kpt #: 176 total cpu time spent up to now is 6287.8 secs Computing kpt #: 177 total cpu time spent up to now is 6319.1 secs Computing kpt #: 178 total cpu time spent up to now is 6353.0 secs Computing kpt #: 179 total cpu time spent up to now is 6384.4 secs Computing kpt #: 180 total cpu time spent up to now is 6415.8 secs Computing kpt #: 181 total cpu time spent up to now is 6446.9 secs Computing kpt #: 182 total cpu time spent up to now is 6478.0 secs Computing kpt #: 183 total cpu time spent up to now is 6508.7 secs Computing kpt #: 184 total cpu time spent up to now is 6540.5 secs Computing kpt #: 185 total cpu time spent up to now is 6571.5 secs Computing kpt #: 186 total cpu time spent up to now is 6602.6 secs Computing kpt #: 187 total cpu time spent up to now is 6636.1 secs Computing kpt #: 188 total cpu time spent up to now is 6669.3 secs Computing kpt #: 189 total cpu time spent up to now is 6699.7 secs Computing kpt #: 190 total cpu time spent up to now is 6730.4 secs Computing kpt #: 191 total cpu time spent up to now is 6760.5 secs Computing kpt #: 192 total cpu time spent up to now is 6790.5 secs Computing kpt #: 193 total cpu time spent up to now is 6821.0 secs Computing kpt #: 194 total cpu time spent up to now is 6856.4 secs Computing kpt #: 195 total cpu time spent up to now is 6888.7 secs Computing kpt #: 196 total cpu time spent up to now is 6921.3 secs Computing kpt #: 197 total cpu time spent up to now is 6953.8 secs Computing kpt #: 198 total cpu time spent up to now is 6986.5 secs Computing kpt #: 199 total cpu time spent up to now is 7019.4 secs Computing kpt #: 200 total cpu time spent up to now is 7052.0 secs Computing kpt #: 201 total cpu time spent up to now is 7084.6 secs Computing kpt #: 202 total cpu time spent up to now is 7119.8 secs Computing kpt #: 203 total cpu time spent up to now is 7156.3 secs Computing kpt #: 204 total cpu time spent up to now is 7192.0 secs Computing kpt #: 205 total cpu time spent up to now is 7227.2 secs Computing kpt #: 206 total cpu time spent up to now is 7262.6 secs Computing kpt #: 207 total cpu time spent up to now is 7298.0 secs Computing kpt #: 208 total cpu time spent up to now is 7333.9 secs Computing kpt #: 209 total cpu time spent up to now is 7369.4 secs Computing kpt #: 210 total cpu time spent up to now is 7401.4 secs Computing kpt #: 211 total cpu time spent up to now is 7435.7 secs Computing kpt #: 212 total cpu time spent up to now is 7468.3 secs Computing kpt #: 213 total cpu time spent up to now is 7500.2 secs Computing kpt #: 214 total cpu time spent up to now is 7531.7 secs Computing kpt #: 215 total cpu time spent up to now is 7563.4 secs Computing kpt #: 216 total cpu time spent up to now is 7595.1 secs Computing kpt #: 217 total cpu time spent up to now is 7627.3 secs Computing kpt #: 218 total cpu time spent up to now is 7659.3 secs Computing kpt #: 219 total cpu time spent up to now is 7691.5 secs Computing kpt #: 220 total cpu time spent up to now is 7724.1 secs Computing kpt #: 221 total cpu time spent up to now is 7762.6 secs Computing kpt #: 222 total cpu time spent up to now is 7798.3 secs Computing kpt #: 223 total cpu time spent up to now is 7832.3 secs Computing kpt #: 224 total cpu time spent up to now is 7868.8 secs Computing kpt #: 225 total cpu time spent up to now is 7905.3 secs Computing kpt #: 226 total cpu time spent up to now is 7946.1 secs Computing kpt #: 227 total cpu time spent up to now is 7986.7 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 8034.5 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 8080.3 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 8125.2 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 8170.8 secs Computing kpt #: 232 total cpu time spent up to now is 8212.0 secs Computing kpt #: 233 total cpu time spent up to now is 8249.7 secs Computing kpt #: 234 total cpu time spent up to now is 8287.3 secs Computing kpt #: 235 total cpu time spent up to now is 8324.8 secs Computing kpt #: 236 total cpu time spent up to now is 8368.4 secs Computing kpt #: 237 total cpu time spent up to now is 8408.9 secs Computing kpt #: 238 total cpu time spent up to now is 8452.9 secs Computing kpt #: 239 total cpu time spent up to now is 8497.8 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8543.2 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 8588.6 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 8635.1 secs Computing kpt #: 243 total cpu time spent up to now is 8675.3 secs Computing kpt #: 244 total cpu time spent up to now is 8712.4 secs Computing kpt #: 245 total cpu time spent up to now is 8749.3 secs Computing kpt #: 246 total cpu time spent up to now is 8785.6 secs Computing kpt #: 247 total cpu time spent up to now is 8818.8 secs Computing kpt #: 248 total cpu time spent up to now is 8851.8 secs Computing kpt #: 249 total cpu time spent up to now is 8884.8 secs Computing kpt #: 250 total cpu time spent up to now is 8917.9 secs Computing kpt #: 251 total cpu time spent up to now is 8951.8 secs Computing kpt #: 252 total cpu time spent up to now is 8984.7 secs Computing kpt #: 253 total cpu time spent up to now is 9017.8 secs Computing kpt #: 254 total cpu time spent up to now is 9053.4 secs Computing kpt #: 255 total cpu time spent up to now is 9087.1 secs Computing kpt #: 256 total cpu time spent up to now is 9123.0 secs Computing kpt #: 257 total cpu time spent up to now is 9158.6 secs Computing kpt #: 258 total cpu time spent up to now is 9194.6 secs Computing kpt #: 259 total cpu time spent up to now is 9232.2 secs Computing kpt #: 260 total cpu time spent up to now is 9269.5 secs Computing kpt #: 261 total cpu time spent up to now is 9306.6 secs Computing kpt #: 262 total cpu time spent up to now is 9345.7 secs Computing kpt #: 263 total cpu time spent up to now is 9382.3 secs Computing kpt #: 264 total cpu time spent up to now is 9419.1 secs Computing kpt #: 265 total cpu time spent up to now is 9458.7 secs Computing kpt #: 266 total cpu time spent up to now is 9495.8 secs Computing kpt #: 267 total cpu time spent up to now is 9536.4 secs Computing kpt #: 268 total cpu time spent up to now is 9573.2 secs Computing kpt #: 269 total cpu time spent up to now is 9612.6 secs Computing kpt #: 270 total cpu time spent up to now is 9652.5 secs Computing kpt #: 271 total cpu time spent up to now is 9692.2 secs Computing kpt #: 272 total cpu time spent up to now is 9732.0 secs Computing kpt #: 273 total cpu time spent up to now is 9771.5 secs Computing kpt #: 274 total cpu time spent up to now is 9811.6 secs Computing kpt #: 275 total cpu time spent up to now is 9854.3 secs Computing kpt #: 276 total cpu time spent up to now is 9891.3 secs Computing kpt #: 277 total cpu time spent up to now is 9928.3 secs Computing kpt #: 278 total cpu time spent up to now is 9967.9 secs Computing kpt #: 279 total cpu time spent up to now is 10011.0 secs Computing kpt #: 280 total cpu time spent up to now is 10053.8 secs Computing kpt #: 281 total cpu time spent up to now is 10093.9 secs Computing kpt #: 282 total cpu time spent up to now is 10131.1 secs Computing kpt #: 283 total cpu time spent up to now is 10166.7 secs Computing kpt #: 284 total cpu time spent up to now is 10200.3 secs Computing kpt #: 285 total cpu time spent up to now is 10234.0 secs Computing kpt #: 286 total cpu time spent up to now is 10267.4 secs Computing kpt #: 287 total cpu time spent up to now is 10301.1 secs Computing kpt #: 288 total cpu time spent up to now is 10335.1 secs Computing kpt #: 289 total cpu time spent up to now is 10368.6 secs Computing kpt #: 290 total cpu time spent up to now is 10402.5 secs Computing kpt #: 291 total cpu time spent up to now is 10440.9 secs Computing kpt #: 292 total cpu time spent up to now is 10478.4 secs Computing kpt #: 293 total cpu time spent up to now is 10519.3 secs Computing kpt #: 294 total cpu time spent up to now is 10559.6 secs Computing kpt #: 295 total cpu time spent up to now is 10599.8 secs Computing kpt #: 296 total cpu time spent up to now is 10640.7 secs Computing kpt #: 297 total cpu time spent up to now is 10680.9 secs Computing kpt #: 298 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 10725.9 secs Computing kpt #: 299 total cpu time spent up to now is 10770.6 secs Computing kpt #: 300 total cpu time spent up to now is 10804.5 secs Computing kpt #: 301 total cpu time spent up to now is 10837.9 secs Computing kpt #: 302 total cpu time spent up to now is 10878.3 secs Computing kpt #: 303 total cpu time spent up to now is 10915.3 secs Computing kpt #: 304 total cpu time spent up to now is 10953.0 secs Computing kpt #: 305 total cpu time spent up to now is 10987.3 secs Computing kpt #: 306 total cpu time spent up to now is 11022.0 secs Computing kpt #: 307 total cpu time spent up to now is 11057.4 secs Computing kpt #: 308 total cpu time spent up to now is 11091.5 secs Computing kpt #: 309 total cpu time spent up to now is 11125.6 secs Computing kpt #: 310 total cpu time spent up to now is 11156.9 secs Computing kpt #: 311 total cpu time spent up to now is 11188.4 secs Computing kpt #: 312 total cpu time spent up to now is 11220.0 secs Computing kpt #: 313 total cpu time spent up to now is 11251.6 secs Computing kpt #: 314 total cpu time spent up to now is 11283.1 secs Computing kpt #: 315 total cpu time spent up to now is 11313.9 secs Computing kpt #: 316 total cpu time spent up to now is 11346.1 secs Computing kpt #: 317 total cpu time spent up to now is 11376.9 secs Computing kpt #: 318 total cpu time spent up to now is 11407.7 secs Computing kpt #: 319 total cpu time spent up to now is 11438.8 secs Computing kpt #: 320 total cpu time spent up to now is 11470.0 secs Computing kpt #: 321 total cpu time spent up to now is 11500.6 secs Computing kpt #: 322 total cpu time spent up to now is 11531.5 secs Computing kpt #: 323 total cpu time spent up to now is 11561.9 secs Computing kpt #: 324 total cpu time spent up to now is 11601.1 secs Computing kpt #: 325 total cpu time spent up to now is 11643.4 secs Computing kpt #: 326 total cpu time spent up to now is 11683.3 secs Computing kpt #: 327 total cpu time spent up to now is 11722.7 secs Computing kpt #: 328 total cpu time spent up to now is 11762.1 secs Computing kpt #: 329 total cpu time spent up to now is 11801.9 secs Computing kpt #: 330 total cpu time spent up to now is 11841.4 secs Computing kpt #: 331 total cpu time spent up to now is 11878.4 secs ethr = 2.08E-11, avg # of iterations = 62.2 total cpu time spent up to now is 11878.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6219 PWs) bands (ev): -4.3138 -4.3138 -3.1437 -3.1437 -2.8496 -2.8496 -1.7010 -1.7010 -1.5112 -1.5112 -0.3326 -0.3326 2.7067 2.7067 4.3028 4.3028 4.8748 4.8748 6.1719 6.1719 6.1907 6.1907 6.9088 6.9088 6.9254 6.9254 7.1751 7.1751 7.6637 7.6637 7.8861 7.8861 7.8966 7.8966 8.4951 8.4951 8.5021 8.5021 9.3797 9.3797 9.3931 9.3931 9.7307 9.7307 9.7545 9.7545 9.7914 9.7914 10.2830 10.2830 10.2838 10.2838 10.4362 10.4362 11.2499 11.2499 11.2563 11.2563 k = 0.0091-0.0443-0.0258 ( 6221 PWs) bands (ev): -4.3128 -4.3126 -3.1427 -3.1425 -2.8483 -2.8483 -1.7003 -1.6999 -1.5105 -1.5100 -0.3329 -0.3328 2.7077 2.7081 4.3039 4.3040 4.8741 4.8743 6.1727 6.1727 6.1913 6.1916 6.9051 6.9051 6.9229 6.9231 7.1749 7.1750 7.6637 7.6643 7.8838 7.8845 7.8946 7.8946 8.4906 8.4908 8.4992 8.4992 9.3728 9.3731 9.3875 9.3876 9.7190 9.7207 9.7430 9.7432 9.7884 9.7892 10.2873 10.2896 10.2931 10.2936 10.4395 10.4425 11.2516 11.2518 11.2585 11.2586 k = 0.0182-0.0887-0.0516 ( 6220 PWs) bands (ev): -4.3094 -4.3091 -3.1392 -3.1389 -2.8443 -2.8442 -1.6979 -1.6971 -1.5078 -1.5070 -0.3334 -0.3333 2.7111 2.7118 4.3072 4.3074 4.8722 4.8726 6.1750 6.1750 6.1936 6.1940 6.8894 6.8895 6.9209 6.9212 7.1741 7.1741 7.6635 7.6648 7.8776 7.8791 7.8891 7.8893 8.4738 8.4745 8.4941 8.4943 9.3485 9.3490 9.3745 9.3746 9.6846 9.6871 9.7156 9.7158 9.7812 9.7823 10.2964 10.3013 10.3193 10.3197 10.4551 10.4609 11.2549 11.2556 11.2672 11.2675 k = 0.0273-0.1330-0.0773 ( 6218 PWs) bands (ev): -4.3037 -4.3033 -3.1335 -3.1329 -2.8377 -2.8376 -1.6938 -1.6926 -1.5033 -1.5020 -0.3344 -0.3342 2.7169 2.7180 4.3129 4.3132 4.8692 4.8698 6.1788 6.1788 6.1973 6.1980 6.8610 6.8611 6.9217 6.9221 7.1717 7.1717 7.6605 7.6625 7.8684 7.8709 7.8811 7.8815 8.4452 8.4464 8.4874 8.4878 9.3047 9.3053 9.3553 9.3556 9.6308 9.6331 9.6816 9.6821 9.7701 9.7713 10.3004 10.3063 10.3566 10.3571 10.4876 10.4947 11.2588 11.2597 11.2835 11.2840 k = 0.0364-0.1774-0.1031 ( 6215 PWs) bands (ev): -4.2957 -4.2952 -3.1253 -3.1246 -2.8284 -2.8282 -1.6880 -1.6864 -1.4969 -1.4952 -0.3358 -0.3355 2.7251 2.7264 4.3207 4.3211 4.8651 4.8660 6.1838 6.1839 6.2024 6.2032 6.8231 6.8233 6.9240 6.9244 7.1667 7.1668 7.6510 7.6537 7.8585 7.8620 7.8710 7.8715 8.4069 8.4087 8.4783 8.4789 9.2428 9.2434 9.3283 9.3288 9.5662 9.5681 9.6452 9.6463 9.7546 9.7557 10.2942 10.2998 10.3999 10.4008 10.5354 10.5426 11.2634 11.2645 11.3075 11.3080 k = 0.0455-0.2217-0.1289 ( 6217 PWs) bands (ev): -4.2855 -4.2848 -3.1149 -3.1140 -2.8164 -2.8162 -1.6805 -1.6785 -1.4886 -1.4866 -0.3375 -0.3371 2.7355 2.7372 4.3309 4.3313 4.8603 4.8613 6.1896 6.1900 6.2087 6.2096 6.7784 6.7785 6.9272 6.9277 7.1582 7.1584 7.6313 7.6346 7.8502 7.8544 7.8597 7.8600 8.3609 8.3633 8.4667 8.4675 9.1641 9.1646 9.2928 9.2933 9.4964 9.4979 9.6097 9.6112 9.7337 9.7348 10.2785 10.2834 10.4458 10.4470 10.5928 10.5995 11.2684 11.2697 11.3391 11.3396 k = 0.0545-0.2661-0.1547 ( 6220 PWs) bands (ev): -4.2729 -4.2721 -3.1021 -3.1011 -2.8019 -2.8017 -1.6712 -1.6689 -1.4786 -1.4761 -0.3396 -0.3391 2.7482 2.7502 4.3432 4.3438 4.8547 4.8560 6.1959 6.1966 6.2162 6.2171 6.7287 6.7287 6.9311 6.9318 7.1454 7.1458 7.5996 7.6032 7.8405 7.8422 7.8506 7.8535 8.3096 8.3128 8.4526 8.4534 9.0709 9.0713 9.2492 9.2496 9.4239 9.4249 9.5773 9.5789 9.7070 9.7079 10.2554 10.2595 10.4918 10.4933 10.6550 10.6610 11.2734 11.2748 11.3785 11.3788 k = 0.0636-0.3104-0.1804 ( 6221 PWs) bands (ev): -4.2581 -4.2571 -3.0871 -3.0858 -2.7847 -2.7845 -1.6602 -1.6575 -1.4668 -1.4640 -0.3421 -0.3415 2.7631 2.7653 4.3578 4.3585 4.8487 4.8501 6.2017 6.2029 6.2250 6.2256 6.6758 6.6759 6.9356 6.9364 7.1272 7.1278 7.5566 7.5605 7.8249 7.8254 7.8460 7.8507 8.2557 8.2598 8.4357 8.4367 8.9659 8.9662 9.1988 9.1989 9.3493 9.3499 9.5483 9.5499 9.6739 9.6746 10.2265 10.2298 10.5367 10.5386 10.7193 10.7246 11.2781 11.2795 11.4253 11.4255 k = 0.0727-0.3548-0.2062 ( 6225 PWs) bands (ev): -4.2410 -4.2399 -3.0697 -3.0683 -2.7650 -2.7648 -1.6475 -1.6445 -1.4533 -1.4501 -0.3449 -0.3443 2.7800 2.7826 4.3747 4.3753 4.8424 4.8440 6.2057 6.2076 6.2350 6.2353 6.6213 6.6216 6.9406 6.9414 7.1026 7.1035 7.5044 7.5084 7.8060 7.8062 7.8402 7.8461 8.2023 8.2074 8.4161 8.4172 8.8518 8.8519 9.1433 9.1435 9.2725 9.2727 9.5221 9.5238 9.6344 9.6348 10.1929 10.1955 10.5800 10.5821 10.7839 10.7886 11.2820 11.2833 11.4790 11.4792 k = 0.0818-0.3991-0.2320 ( 6222 PWs) bands (ev): -4.2217 -4.2205 -3.0500 -3.0485 -2.7428 -2.7426 -1.6331 -1.6298 -1.4381 -1.4346 -0.3482 -0.3475 2.7990 2.8018 4.3937 4.3944 4.8359 4.8377 6.2064 6.2089 6.2464 6.2465 6.5671 6.5675 6.9458 6.9467 7.0705 7.0717 7.4452 7.4494 7.7849 7.7850 7.8287 7.8357 8.1527 8.1589 8.3938 8.3950 8.7310 8.7311 9.0846 9.0851 9.1934 9.1936 9.4980 9.4995 9.5884 9.5885 10.1556 10.1576 10.6218 10.6240 10.8478 10.8517 11.2852 11.2862 11.5386 11.5394 k = 0.0909-0.4435-0.2578 ( 6226 PWs) bands (ev): -4.2002 -4.1988 -3.0281 -3.0264 -2.7182 -2.7179 -1.6170 -1.6134 -1.4214 -1.4175 -0.3519 -0.3511 2.8200 2.8230 4.4149 4.4156 4.8294 4.8314 6.2019 6.2049 6.2589 6.2594 6.5151 6.5158 6.9511 6.9521 7.0298 7.0313 7.3808 7.3852 7.7619 7.7620 7.8088 7.8167 8.1096 8.1167 8.3687 8.3700 8.6060 8.6060 9.0246 9.0253 9.1123 9.1128 9.4749 9.4762 9.5360 9.5364 10.1154 10.1168 10.6624 10.6647 10.9098 10.9129 11.2878 11.2883 11.6034 11.6048 k = 0.1000-0.4878-0.2836 ( 6231 PWs) bands (ev): -4.1764 -4.1749 -3.0039 -3.0021 -2.6911 -2.6909 -1.5992 -1.5953 -1.4032 -1.3990 -0.3559 -0.3551 2.8428 2.8460 4.4382 4.4389 4.8232 4.8252 6.1896 6.1930 6.2727 6.2733 6.4676 6.4685 6.9563 6.9575 6.9801 6.9819 7.3127 7.3172 7.7373 7.7374 7.7795 7.7881 8.0732 8.0808 8.3409 8.3423 8.4790 8.4792 8.9644 8.9655 9.0299 9.0307 9.4523 9.4529 9.4779 9.4793 10.0728 10.0738 10.7025 10.7049 10.9683 10.9704 11.2907 11.2908 11.6721 11.6743 k = 0.1091-0.5321-0.3093 ( 6229 PWs) bands (ev): -4.1504 -4.1488 -2.9775 -2.9755 -2.6616 -2.6614 -1.5798 -1.5756 -1.3835 -1.3790 -0.3603 -0.3595 2.8673 2.8707 4.4636 4.4643 4.8171 4.8193 6.1675 6.1712 6.2873 6.2882 6.4262 6.4276 6.9213 6.9236 6.9616 6.9628 7.2416 7.2463 7.7112 7.7113 7.7423 7.7511 8.0399 8.0476 8.3102 8.3118 8.3542 8.3545 8.9051 8.9066 8.9469 8.9482 9.4135 9.4143 9.4304 9.4334 10.0283 10.0290 10.7428 10.7452 11.0209 11.0218 11.2952 11.2963 11.7435 11.7466 k = 0.1182-0.5765-0.3351 ( 6232 PWs) bands (ev): -4.1223 -4.1206 -2.9489 -2.9468 -2.6299 -2.6297 -1.5588 -1.5544 -1.3624 -1.3576 -0.3651 -0.3642 2.8934 2.8970 4.4910 4.4917 4.8113 4.8136 6.1347 6.1384 6.3025 6.3035 6.3908 6.3928 6.8555 6.8581 6.9662 6.9674 7.1681 7.1729 7.6840 7.6841 7.6994 7.7082 8.0006 8.0080 8.2385 8.2386 8.2780 8.2792 8.8465 8.8492 8.8644 8.8669 9.3474 9.3480 9.4076 9.4095 9.9823 9.9826 10.7841 10.7865 11.0629 11.0635 11.3057 11.3081 11.8163 11.8204 k = 0.1273-0.6208-0.3609 ( 6227 PWs) bands (ev): -4.0920 -4.0901 -2.9182 -2.9159 -2.5959 -2.5957 -1.5363 -1.5316 -1.3401 -1.3349 -0.3703 -0.3693 2.9211 2.9248 4.5203 4.5209 4.8057 4.8081 6.0924 6.0962 6.3173 6.3186 6.3589 6.3618 6.7849 6.7878 6.9702 6.9714 7.0927 7.0974 7.6511 7.6555 7.6569 7.6612 7.9394 7.9462 8.1470 8.1478 8.2426 8.2440 8.7798 8.7818 8.7954 8.7972 9.2774 9.2786 9.3846 9.3863 9.9348 9.9348 10.8269 10.8292 11.0891 11.0911 11.3267 11.3303 11.8891 11.8945 k = 0.1364-0.6652-0.3867 ( 6227 PWs) bands (ev): -4.0595 -4.0576 -2.8853 -2.8829 -2.5597 -2.5596 -1.5122 -1.5073 -1.3164 -1.3110 -0.3758 -0.3747 2.9501 2.9539 4.5513 4.5518 4.8002 4.8028 6.0434 6.0472 6.3172 6.3183 6.3413 6.3423 6.7126 6.7158 6.9731 6.9742 7.0167 7.0211 7.5982 7.6076 7.6275 7.6278 7.8477 7.8540 8.0886 8.0900 8.2054 8.2068 8.7025 8.7028 8.7430 8.7431 9.2054 9.2071 9.3611 9.3627 9.8858 9.8860 10.8716 10.8739 11.0988 11.1017 11.3604 11.3647 11.9608 11.9674 k = 0.1455-0.7095-0.4125 ( 6228 PWs) bands (ev): -4.0250 -4.0229 -2.8503 -2.8478 -2.5214 -2.5213 -1.4867 -1.4816 -1.2917 -1.2860 -0.3816 -0.3805 2.9805 2.9843 4.5838 4.5841 4.7948 4.7974 5.9901 5.9940 6.2770 6.2802 6.3541 6.3547 6.6417 6.6450 6.9401 6.9454 6.9755 6.9775 7.5343 7.5442 7.5984 7.5988 7.7415 7.7479 8.0509 8.0524 8.1667 8.1679 8.6267 8.6267 8.6937 8.6938 9.1326 9.1349 9.3372 9.3387 9.8357 9.8361 10.9188 10.9210 11.0945 11.0978 11.4041 11.4085 12.0300 12.0379 k = 0.1545-0.7539-0.4382 ( 6234 PWs) bands (ev): -3.9883 -3.9862 -2.8133 -2.8106 -2.4811 -2.4811 -1.4599 -1.4546 -1.2658 -1.2598 -0.3876 -0.3865 3.0120 3.0158 4.6175 4.6176 4.7891 4.7918 5.9342 5.9383 6.2229 6.2267 6.3695 6.3704 6.5728 6.5761 6.8699 6.8748 6.9759 6.9777 7.4516 7.4612 7.5692 7.5696 7.6421 7.6481 8.0210 8.0221 8.1267 8.1279 8.5542 8.5543 8.6476 8.6479 9.0604 9.0632 9.3128 9.3142 9.7845 9.7850 10.9686 10.9707 11.0805 11.0838 11.4534 11.4577 12.0956 12.1046 k = 0.1636-0.7982-0.4640 ( 6232 PWs) bands (ev): -3.9496 -3.9474 -2.7743 -2.7715 -2.4389 -2.4389 -1.4319 -1.4264 -1.2388 -1.2326 -0.3939 -0.3927 3.0445 3.0483 4.6516 4.6518 4.7831 4.7858 5.8765 5.8808 6.1572 6.1612 6.3846 6.3857 6.5037 6.5067 6.8081 6.8127 6.9748 6.9766 7.3457 7.3538 7.5401 7.5406 7.5590 7.5635 7.9931 7.9937 8.0862 8.0873 8.4856 8.4857 8.6049 8.6051 8.9898 8.9933 9.2880 9.2894 9.7323 9.7330 11.0209 11.0229 11.0603 11.0635 11.5049 11.5090 12.1566 12.1665 k = 0.1727-0.8426-0.4898 ( 6231 PWs) bands (ev): -3.9089 -3.9066 -2.7333 -2.7304 -2.3949 -2.3948 -1.4028 -1.3972 -1.2108 -1.2043 -0.4004 -0.3992 3.0780 3.0816 4.6850 4.6854 4.7770 4.7796 5.8170 5.8216 6.0834 6.0876 6.3980 6.4000 6.4308 6.4326 6.7581 6.7623 6.9719 6.9738 7.2230 7.2293 7.4858 7.4886 7.5119 7.5125 7.9654 7.9655 8.0455 8.0465 8.4206 8.4208 8.5655 8.5656 8.9222 8.9263 9.2629 9.2642 9.6792 9.6800 11.0336 11.0366 11.0781 11.0801 11.5568 11.5605 12.2126 12.2226 k = 0.1818-0.8869-0.5156 ( 6233 PWs) bands (ev): -3.8663 -3.8639 -2.6905 -2.6874 -2.3491 -2.3490 -1.3728 -1.3670 -1.1817 -1.1750 -0.4070 -0.4057 3.1122 3.1157 4.7147 4.7151 4.7727 4.7748 5.7547 5.7598 6.0071 6.0114 6.3471 6.3499 6.4137 6.4143 6.7203 6.7240 6.9671 6.9689 7.0921 7.0971 7.4152 7.4168 7.4838 7.4843 7.9369 7.9374 8.0054 8.0062 8.3587 8.3590 8.5293 8.5293 8.8585 8.8634 9.2375 9.2388 9.6252 9.6262 11.0056 11.0085 11.1365 11.1384 11.6075 11.6110 12.2631 12.2722 k = 0.1909-0.9313-0.5413 ( 6240 PWs) bands (ev): -3.8217 -3.8192 -2.6458 -2.6426 -2.3017 -2.3015 -1.3421 -1.3362 -1.1516 -1.1448 -0.4136 -0.4123 3.1471 3.1505 4.7300 4.7309 4.7793 4.7795 5.6887 5.6942 5.9343 5.9387 6.2588 6.2610 6.4252 6.4261 6.6914 6.6945 6.9557 6.9586 6.9635 6.9664 7.3424 7.3432 7.4563 7.4568 7.9078 7.9088 7.9663 7.9669 8.2992 8.2996 8.4961 8.4962 8.7997 8.8053 9.2119 9.2132 9.5707 9.5718 10.9750 10.9779 11.1983 11.2001 11.6563 11.6595 12.3084 12.3141 k = 0.2000-0.9756-0.5671 ( 6240 PWs) bands (ev): -3.7752 -3.7726 -2.5993 -2.5960 -2.2527 -2.2524 -1.3109 -1.3050 -1.1205 -1.1135 -0.4201 -0.4188 3.1825 3.1857 4.7238 4.7259 4.7990 4.8005 5.6184 5.6245 5.8695 5.8741 6.1651 6.1671 6.4352 6.4361 6.6648 6.6666 6.8298 6.8321 6.9518 6.9536 7.2664 7.2665 7.4295 7.4300 7.8776 7.8789 7.9288 7.9293 8.2416 8.2423 8.4659 8.4662 8.7464 8.7527 9.1863 9.1876 9.5157 9.5169 10.9428 10.9456 11.2631 11.2648 11.7027 11.7055 12.3469 12.3469 k = 0.2091-1.0199-0.5929 ( 6243 PWs) bands (ev): -3.7268 -3.7242 -2.5512 -2.5477 -2.2023 -2.2020 -1.2795 -1.2736 -1.0882 -1.0812 -0.4264 -0.4251 3.2183 3.2211 4.7071 4.7094 4.8199 4.8226 5.5460 5.5528 5.8148 5.8196 6.0688 6.0708 6.4430 6.4440 6.6177 6.6194 6.7250 6.7263 6.9411 6.9428 7.1869 7.1874 7.4032 7.4037 7.8453 7.8468 7.8935 7.8938 8.1860 8.1869 8.4388 8.4392 8.6988 8.7057 9.1608 9.1620 9.4603 9.4616 10.9096 10.9123 11.3309 11.3324 11.7464 11.7489 12.3723 12.3724 k = 0.2182-1.0643-0.6187 ( 6241 PWs) bands (ev): -3.6767 -3.6740 -2.5014 -2.4978 -2.1507 -2.1502 -1.2482 -1.2424 -1.0548 -1.0478 -0.4325 -0.4311 3.2542 3.2567 4.6833 4.6858 4.8334 4.8371 5.4763 5.4839 5.7698 5.7746 5.9727 5.9746 6.4482 6.4491 6.5147 6.5187 6.6765 6.6800 6.9288 6.9303 7.1056 7.1065 7.3773 7.3778 7.8099 7.8114 7.8608 7.8610 8.1329 8.1341 8.4145 8.4150 8.6569 8.6644 9.1354 9.1366 9.4048 9.4062 10.8759 10.8785 11.4014 11.4029 11.7872 11.7893 12.3893 12.3934 k = 0.2273-1.1086-0.6445 ( 6246 PWs) bands (ev): -3.6248 -3.6221 -2.4501 -2.4464 -2.0978 -2.0973 -1.2172 -1.2116 -1.0201 -1.0132 -0.4381 -0.4367 3.2900 3.2921 4.6523 4.6547 4.8344 4.8388 5.4149 5.4234 5.7324 5.7365 5.8805 5.8818 6.3891 6.3925 6.4511 6.4525 6.6546 6.6579 6.9150 6.9164 7.0243 7.0256 7.3515 7.3520 7.7699 7.7714 7.8310 7.8312 8.0829 8.0844 8.3931 8.3937 8.6204 8.6283 9.1103 9.1115 9.3493 9.3508 10.8419 10.8444 11.4745 11.4759 11.8252 11.8269 12.4010 12.4089 k = 0.2364-1.1530-0.6702 ( 6246 PWs) bands (ev): -3.5713 -3.5686 -2.3974 -2.3935 -2.0439 -2.0434 -1.1870 -1.1816 -0.9841 -0.9774 -0.4431 -0.4418 3.3255 3.3271 4.6125 4.6146 4.8199 4.8247 5.3652 5.3744 5.6993 5.7004 5.7975 5.7988 6.2621 6.2652 6.4505 6.4517 6.6361 6.6387 6.9000 6.9012 6.9456 6.9471 7.3258 7.3262 7.7246 7.7260 7.8047 7.8047 8.0367 8.0384 8.3745 8.3751 8.5889 8.5971 9.0857 9.0868 9.2939 9.2956 10.8080 10.8105 11.5501 11.5513 11.8607 11.8618 12.4054 12.4158 k = 0.2455-1.1973-0.6960 ( 6252 PWs) bands (ev): -3.5162 -3.5134 -2.3434 -2.3394 -1.9892 -1.9886 -1.1578 -1.1528 -0.9467 -0.9403 -0.4473 -0.4461 3.3602 3.3613 4.5618 4.5634 4.7910 4.7955 5.3243 5.3339 5.6579 5.6639 5.7318 5.7396 6.1382 6.1408 6.4469 6.4479 6.6148 6.6163 6.8709 6.8718 6.8857 6.8871 7.2997 7.3001 7.6739 7.6751 7.7818 7.7818 7.9942 7.9961 8.3584 8.3591 8.5619 8.5703 9.0615 9.0627 9.2389 9.2408 10.7744 10.7768 11.6278 11.6289 11.8937 11.8944 12.4012 12.4121 k = 0.2545-1.2417-0.7218 ( 6251 PWs) bands (ev): -3.4595 -3.4567 -2.2883 -2.2840 -1.9337 -1.9332 -1.1299 -1.1253 -0.9080 -0.9019 -0.4506 -0.4494 3.3937 3.3942 4.4986 4.4997 4.7527 4.7564 5.2822 5.2914 5.6100 5.6218 5.6942 5.7072 6.0208 6.0227 6.4400 6.4410 6.5865 6.5868 6.8082 6.8086 6.8688 6.8698 7.2734 7.2737 7.6185 7.6195 7.7624 7.7625 7.9548 7.9568 8.3449 8.3457 8.5389 8.5475 9.0381 9.0392 9.1844 9.1864 10.7414 10.7437 11.7074 11.7084 11.9248 11.9248 12.3893 12.3991 k = 0.2636-1.2860-0.7476 ( 6250 PWs) bands (ev): -3.4014 -3.3986 -2.2320 -2.2276 -1.8777 -1.8772 -1.1036 -1.0994 -0.8680 -0.8623 -0.4528 -0.4517 3.4252 3.4255 4.4227 4.4232 4.7106 4.7134 5.2279 5.2358 5.5690 5.5813 5.6781 5.6910 5.9144 5.9146 6.4300 6.4308 6.5468 6.5495 6.7573 6.7581 6.8523 6.8532 7.2466 7.2469 7.5595 7.5603 7.7464 7.7465 7.9176 7.9195 8.3338 8.3346 8.5196 8.5283 9.0154 9.0165 9.1305 9.1327 10.7090 10.7113 11.7884 11.7894 11.9535 11.9543 12.3714 12.3795 k = 0.2727-1.3304-0.7734 ( 6252 PWs) bands (ev): -3.3419 -3.3391 -2.1749 -2.1703 -1.8214 -1.8209 -1.0790 -1.0752 -0.8268 -0.8216 -0.4537 -0.4527 3.4536 3.4548 4.3360 4.3361 4.6683 4.6704 5.1583 5.1643 5.5304 5.5398 5.6783 5.6853 5.8224 5.8268 6.4169 6.4175 6.4988 6.5040 6.7190 6.7209 6.8358 6.8364 7.2195 7.2197 7.4981 7.4988 7.7336 7.7338 7.8816 7.8834 8.3249 8.3257 8.5036 8.5122 8.9935 8.9946 9.0774 9.0797 10.6776 10.6798 11.8701 11.8712 11.9810 11.9825 12.3496 12.3558 k = 0.2818-1.3747-0.7991 ( 6259 PWs) bands (ev): -3.2812 -3.2783 -2.1170 -2.1122 -1.7650 -1.7646 -1.0561 -1.0528 -0.7847 -0.7801 -0.4530 -0.4522 3.4784 3.4806 4.2410 4.2416 4.6270 4.6285 5.0771 5.0813 5.4792 5.4850 5.6822 5.6908 5.7539 5.7719 6.4008 6.4010 6.4481 6.4557 6.6904 6.6932 6.8192 6.8197 7.1921 7.1923 7.4357 7.4362 7.7238 7.7240 7.8461 7.8476 8.3180 8.3188 8.4904 8.4990 8.9723 8.9735 9.0254 9.0279 10.6472 10.6493 11.9496 11.9514 12.0095 12.0115 12.3258 12.3296 k = 0.2909-1.4190-0.8249 ( 6265 PWs) bands (ev): -3.2193 -3.2164 -2.0586 -2.0536 -1.7088 -1.7085 -1.0351 -1.0322 -0.7420 -0.7379 -0.4506 -0.4500 3.4985 3.5018 4.1413 4.1423 4.5868 4.5880 4.9896 4.9921 5.4108 5.4143 5.6617 5.6797 5.7392 5.7659 6.3805 6.3807 6.4019 6.4114 6.6676 6.6710 6.8026 6.8030 7.1647 7.1649 7.3730 7.3733 7.7164 7.7166 7.8106 7.8118 8.3130 8.3138 8.4797 8.4882 8.9510 8.9520 8.9758 8.9783 10.6179 10.6199 12.0075 12.0127 12.0575 12.0576 12.3016 12.3029 k = 0.3000-1.4634-0.8507 ( 6263 PWs) bands (ev): -3.1564 -3.1535 -1.9999 -1.9946 -1.6530 -1.6528 -1.0157 -1.0132 -0.6991 -0.6955 -0.4461 -0.4459 3.5123 3.5170 4.0395 4.0409 4.5474 4.5486 4.8995 4.9007 5.3325 5.3351 5.6284 5.6395 5.7706 5.7909 6.3511 6.3549 6.3700 6.3774 6.6480 6.6517 6.7859 6.7863 7.1373 7.1375 7.3108 7.3109 7.7111 7.7113 7.7750 7.7759 8.3095 8.3103 8.4710 8.4793 8.9181 8.9196 8.9410 8.9412 10.5899 10.5918 12.0319 12.0395 12.1350 12.1352 12.2773 12.2790 k = 0.3091-1.5077-0.8765 ( 6264 PWs) bands (ev): -3.0926 -3.0897 -1.9411 -1.9356 -1.5980 -1.5979 -0.9978 -0.9956 -0.6564 -0.6534 -0.4394 -0.4394 3.5182 3.5244 3.9378 3.9398 4.5078 4.5092 4.8098 4.8101 5.2529 5.2553 5.5910 5.5975 5.8092 5.8257 6.3210 6.3282 6.3469 6.3524 6.6302 6.6340 6.7693 6.7696 7.1103 7.1105 7.2497 7.2498 7.7071 7.7074 7.7396 7.7402 8.3074 8.3083 8.4637 8.4720 8.8711 8.8736 8.9215 8.9220 10.5633 10.5651 12.0440 12.0541 12.2187 12.2190 12.2554 12.2609 k = 0.3182-1.5521-0.9022 ( 6260 PWs) bands (ev): -3.0280 -3.0252 -1.8825 -1.8767 -1.5443 -1.5440 -0.9811 -0.9792 -0.6148 -0.6124 -0.4303 -0.4298 3.5139 3.5217 3.8387 3.8412 4.4660 4.4680 4.7238 4.7241 5.1775 5.1800 5.5498 5.5535 5.8485 5.8628 6.2996 6.3073 6.3249 6.3309 6.6138 6.6176 6.7526 6.7529 7.0837 7.0839 7.1901 7.1906 7.6984 7.6987 7.7105 7.7108 8.3064 8.3073 8.4574 8.4656 8.8240 8.8269 8.9056 8.9063 10.5381 10.5399 12.0466 12.0590 12.2394 12.2463 12.3046 12.3059 k = 0.3273-1.5964-0.9280 ( 6268 PWs) bands (ev): -2.9629 -2.9601 -1.8244 -1.8183 -1.4922 -1.4915 -0.9653 -0.9635 -0.5753 -0.5736 -0.4177 -0.4167 3.4966 3.5061 3.7451 3.7481 4.4182 4.4210 4.6464 4.6467 5.1095 5.1121 5.5050 5.5067 5.8857 5.8984 6.2859 6.2908 6.3048 6.3144 6.5990 6.6025 6.7359 6.7363 7.0577 7.0580 7.1327 7.1337 7.6660 7.6664 7.7063 7.7064 8.3063 8.3072 8.4512 8.4593 8.7787 8.7818 8.8917 8.8924 10.5145 10.5161 12.0392 12.0527 12.2325 12.2415 12.3897 12.3907 k = 0.3364-1.6408-0.9538 ( 6264 PWs) bands (ev): -2.8973 -2.8945 -1.7672 -1.7607 -1.4421 -1.4409 -0.9497 -0.9480 -0.5392 -0.5382 -0.4006 -0.3991 3.4629 3.4734 3.6613 3.6642 4.3593 4.3631 4.5831 4.5832 5.0508 5.0539 5.4574 5.4578 5.9190 5.9305 6.2709 6.2720 6.2944 6.3080 6.5863 6.5893 6.7194 6.7198 7.0324 7.0327 7.0783 7.0797 7.6311 7.6319 7.7057 7.7059 8.3067 8.3077 8.4442 8.4523 8.7361 8.7394 8.8796 8.8803 10.4924 10.4940 12.0230 12.0364 12.2332 12.2427 12.4742 12.4753 k = 0.3455-1.6851-0.9796 ( 6263 PWs) bands (ev): -2.8315 -2.8288 -1.7113 -1.7044 -1.3944 -1.3928 -0.9340 -0.9323 -0.5080 -0.5076 -0.3782 -0.3761 3.4106 3.4206 3.5912 3.5927 4.2873 4.2920 4.5350 4.5353 5.0032 5.0067 5.4082 5.4087 5.9474 5.9578 6.2501 6.2505 6.2957 6.3095 6.5765 6.5785 6.7030 6.7035 7.0074 7.0081 7.0281 7.0299 7.5969 7.5981 7.7060 7.7061 8.3075 8.3086 8.4355 8.4435 8.6972 8.7007 8.8692 8.8699 10.4720 10.4735 12.0006 12.0130 12.2386 12.2476 12.5577 12.5589 k = 0.3545-1.7295-1.0054 ( 6261 PWs) bands (ev): -2.7658 -2.7631 -1.6571 -1.6499 -1.3497 -1.3475 -0.9174 -0.9156 -0.4824 -0.4823 -0.3500 -0.3476 3.3423 3.3507 3.5320 3.5329 4.2055 4.2108 4.4978 4.4982 4.9681 4.9721 5.3593 5.3604 5.9703 5.9798 6.2278 6.2283 6.3010 6.3139 6.5701 6.5706 6.6869 6.6875 6.9772 6.9805 6.9890 6.9890 7.5638 7.5655 7.7067 7.7068 8.3083 8.3095 8.4238 8.4316 8.6634 8.6667 8.8606 8.8612 10.4533 10.4547 11.9745 11.9857 12.2455 12.2536 12.6397 12.6410 k = 0.3636-1.7738-1.0311 ( 6257 PWs) bands (ev): -2.7003 -2.6977 -1.6052 -1.5976 -1.3084 -1.3056 -0.8994 -0.8976 -0.4618 -0.4617 -0.3171 -0.3147 3.2652 3.2721 3.4769 3.4800 4.1188 4.1244 4.4650 4.4655 4.9464 4.9509 5.3126 5.3141 5.9877 5.9964 6.2057 6.2062 6.3061 6.3176 6.5650 6.5666 6.6712 6.6719 6.9400 6.9447 6.9645 6.9648 7.5321 7.5343 7.7077 7.7077 8.3088 8.3103 8.4080 8.4154 8.6357 8.6388 8.8537 8.8543 10.4363 10.4376 11.9466 11.9565 12.2519 12.2592 12.7198 12.7213 k = 0.3727-1.8182-1.0569 ( 6262 PWs) bands (ev): -2.6353 -2.6328 -1.5561 -1.5483 -1.2705 -1.2671 -0.8795 -0.8776 -0.4447 -0.4447 -0.2814 -0.2791 3.1854 3.1910 3.4232 3.4281 4.0307 4.0366 4.4317 4.4323 4.9386 4.9434 5.2692 5.2710 5.9995 6.0076 6.1841 6.1846 6.3085 6.3184 6.5596 6.5635 6.6561 6.6568 6.9106 6.9162 6.9433 6.9436 7.5021 7.5048 7.7087 7.7087 8.3087 8.3105 8.3876 8.3945 8.6151 8.6176 8.8484 8.8489 10.4209 10.4221 11.9179 11.9267 12.2567 12.2633 12.7976 12.7993 k = 0.3818-1.8625-1.0827 ( 6264 PWs) bands (ev): -2.5713 -2.5689 -1.5106 -1.5025 -1.2362 -1.2323 -0.8575 -0.8556 -0.4302 -0.4301 -0.2443 -0.2423 3.1064 3.1111 3.3696 3.3756 3.9435 3.9496 4.3957 4.3961 4.9438 4.9488 5.2300 5.2319 6.0060 6.0137 6.1634 6.1639 6.3077 6.3160 6.5511 6.5571 6.6416 6.6424 6.8933 6.8994 6.9237 6.9239 7.4739 7.4771 7.7097 7.7097 8.3072 8.3095 8.3635 8.3699 8.6010 8.6028 8.8446 8.8450 10.4072 10.4083 11.8894 11.8971 12.2595 12.2653 12.8728 12.8746 k = 0.3909-1.9068-1.1085 ( 6274 PWs) bands (ev): -2.5085 -2.5062 -1.4692 -1.4610 -1.2051 -1.2009 -0.8334 -0.8317 -0.4173 -0.4171 -0.2072 -0.2054 3.0301 3.0342 3.3160 3.3228 3.8590 3.8651 4.3561 4.3564 4.9603 4.9653 5.1956 5.1975 6.0072 6.0146 6.1437 6.1442 6.3040 6.3110 6.5368 6.5442 6.6279 6.6286 6.8894 6.8954 6.9057 6.9059 7.4478 7.4516 7.7107 7.7107 8.3016 8.3047 8.3393 8.3455 8.5923 8.5935 8.8422 8.8426 10.3950 10.3960 11.8616 11.8684 12.2603 12.2654 12.9449 12.9468 k = 0.4000-1.9512-1.1342 ( 6266 PWs) bands (ev): -2.4473 -2.4451 -1.4327 -1.4245 -1.1767 -1.1724 -0.8077 -0.8061 -0.4057 -0.4054 -0.1709 -0.1693 2.9577 2.9612 3.2631 3.2703 3.7782 3.7843 4.3135 4.3137 4.9857 4.9906 5.1663 5.1682 6.0032 6.0105 6.1251 6.1256 6.2982 6.3043 6.5166 6.5246 6.6149 6.6154 6.8871 6.8876 6.9003 6.9048 7.4240 7.4283 7.7115 7.7115 8.2857 8.2878 8.3247 8.3290 8.5877 8.5882 8.8410 8.8413 10.3843 10.3853 11.8350 11.8409 12.2591 12.2636 13.0133 13.0154 k = 0.4091-1.9955-1.1600 ( 6267 PWs) bands (ev): -2.3882 -2.3862 -1.4013 -1.3935 -1.1504 -1.1462 -0.7809 -0.7795 -0.3950 -0.3946 -0.1360 -0.1347 2.8897 2.8927 3.2118 3.2193 3.7021 3.7081 4.2690 4.2691 5.0174 5.0221 5.1428 5.1444 5.9944 6.0016 6.1079 6.1084 6.2910 6.2963 6.4923 6.5003 6.6027 6.6029 6.8722 6.8722 6.9180 6.9218 7.4025 7.4074 7.7122 7.7123 8.2590 8.2600 8.3199 8.3223 8.5858 8.5859 8.8407 8.8410 10.3750 10.3759 11.8099 11.8150 12.2564 12.2604 13.0727 13.0772 k = 0.4182-2.0399-1.1858 ( 6268 PWs) bands (ev): -2.3317 -2.3298 -1.3755 -1.3682 -1.1257 -1.1219 -0.7539 -0.7529 -0.3851 -0.3848 -0.1029 -0.1018 2.8267 2.8294 3.1629 3.1704 3.6316 3.6374 4.2238 4.2239 5.0515 5.0552 5.1271 5.1278 5.9811 5.9883 6.0919 6.0924 6.2825 6.2871 6.4665 6.4742 6.5912 6.5913 6.8580 6.8581 6.9417 6.9442 7.3836 7.3890 7.7128 7.7129 8.2289 8.2295 8.3178 8.3193 8.5854 8.5857 8.8414 8.8416 10.3671 10.3679 11.7865 11.7910 12.2525 12.2560 13.0718 13.0783 k = 0.4273-2.0842-1.2116 ( 6267 PWs) bands (ev): -2.2784 -2.2767 -1.3550 -1.3484 -1.1024 -1.0991 -0.7276 -0.7269 -0.3759 -0.3756 -0.0721 -0.0712 2.7692 2.7715 3.1172 3.1245 3.5673 3.5729 4.1792 4.1793 5.0760 5.0767 5.1283 5.1306 5.9641 5.9711 6.0775 6.0779 6.2727 6.2767 6.4417 6.4489 6.5807 6.5807 6.8453 6.8453 6.9676 6.9689 7.3673 7.3733 7.7133 7.7133 8.1987 8.1994 8.3164 8.3174 8.5862 8.5867 8.8426 8.8427 10.3603 10.3610 11.7651 11.7690 12.2480 12.2510 13.0643 13.0704 k = 0.4364-2.1286-1.2374 ( 6272 PWs) bands (ev): -2.2288 -2.2273 -1.3394 -1.3336 -1.0807 -1.0780 -0.7028 -0.7025 -0.3674 -0.3672 -0.0439 -0.0432 2.7174 2.7194 3.0755 3.0824 3.5099 3.5151 4.1364 4.1366 5.0758 5.0770 5.1578 5.1619 5.9438 5.9505 6.0645 6.0649 6.2613 6.2649 6.4198 6.4263 6.5712 6.5712 6.8340 6.8340 6.9935 6.9936 7.3539 7.3602 7.7137 7.7137 8.1702 8.1710 8.3152 8.3159 8.5878 8.5883 8.8442 8.8443 10.3547 10.3553 11.7459 11.7492 12.2431 12.2457 13.0570 13.0626 k = 0.4455-2.1729-1.2631 ( 6261 PWs) bands (ev): -2.1837 -2.1823 -1.3280 -1.3231 -1.0608 -1.0588 -0.6804 -0.6804 -0.3595 -0.3594 -0.0187 -0.0182 2.6717 2.6734 3.0381 3.0445 3.4598 3.4645 4.0966 4.0969 5.0690 5.0704 5.1986 5.2028 5.9210 5.9274 6.0532 6.0535 6.2489 6.2520 6.4016 6.4073 6.5629 6.5629 6.8241 6.8241 7.0167 7.0175 7.3432 7.3497 7.7139 7.7140 8.1440 8.1450 8.3140 8.3145 8.5897 8.5903 8.8460 8.8461 10.3501 10.3506 11.7291 11.7317 12.2383 12.2405 13.0503 13.0553 k = 0.4545-2.2173-1.2889 ( 6264 PWs) bands (ev): -2.1437 -2.1426 -1.3201 -1.3161 -1.0432 -1.0418 -0.6611 -0.6608 -0.3523 -0.3523 0.0032 0.0036 2.6324 2.6338 3.0058 3.0113 3.4173 3.4214 4.0609 4.0611 5.0626 5.0639 5.2408 5.2448 5.8967 5.9026 6.0435 6.0437 6.2360 6.2387 6.3874 6.3922 6.5557 6.5558 6.8158 6.8158 7.0372 7.0387 7.3353 7.3417 7.7141 7.7142 8.1209 8.1219 8.3129 8.3133 8.5917 8.5923 8.8478 8.8479 10.3463 10.3468 11.7146 11.7168 12.2338 12.2356 13.0445 13.0488 k = 0.4636-2.2616-1.3147 ( 6270 PWs) bands (ev): -2.1096 -2.1087 -1.3149 -1.3117 -1.0283 -1.0274 -0.6450 -0.6446 -0.3460 -0.3459 0.0216 0.0219 2.5998 2.6009 2.9787 2.9834 3.3827 3.3861 4.0301 4.0303 5.0577 5.0588 5.2811 5.2848 5.8721 5.8773 6.0355 6.0357 6.2238 6.2260 6.3767 6.3807 6.5498 6.5499 6.8089 6.8089 7.0544 7.0563 7.3298 7.3357 7.7142 7.7143 8.1014 8.1024 8.3120 8.3123 8.5936 8.5941 8.8496 8.8496 10.3434 10.3438 11.7027 11.7044 12.2298 12.2313 13.0397 13.0432 k = 0.4727-2.3060-1.3405 ( 6268 PWs) bands (ev): -2.0822 -2.0815 -1.3116 -1.3093 -1.0165 -1.0159 -0.6324 -0.6320 -0.3406 -0.3406 0.0362 0.0364 2.5741 2.5749 2.9574 2.9611 3.3560 3.3587 4.0052 4.0054 5.0542 5.0551 5.3173 5.3203 5.8490 5.8533 6.0292 6.0293 6.2134 6.2150 6.3692 6.3721 6.5452 6.5452 6.8036 6.8036 7.0680 7.0698 7.3265 7.3315 7.7143 7.7144 8.0859 8.0867 8.3112 8.3114 8.5953 8.5957 8.8510 8.8511 10.3412 10.3415 11.6934 11.6946 12.2266 12.2277 13.0360 13.0386 k = 0.4818-2.3503-1.3663 ( 6267 PWs) bands (ev): -2.0620 -2.0615 -1.3096 -1.3081 -1.0079 -1.0076 -0.6234 -0.6230 -0.3366 -0.3365 0.0468 0.0469 2.5556 2.5562 2.9422 2.9446 3.3372 3.3390 3.9869 3.9870 5.0520 5.0525 5.3465 5.3487 5.8297 5.8328 6.0247 6.0248 6.2054 6.2065 6.3642 6.3662 6.5419 6.5419 6.7997 6.7997 7.0778 7.0793 7.3250 7.3286 7.7144 7.7144 8.0746 8.0751 8.3106 8.3107 8.5965 8.5968 8.8522 8.8522 10.3397 10.3399 11.6868 11.6876 12.2243 12.2250 13.0334 13.0352 k = 0.4909-2.3946-1.3920 ( 6273 PWs) bands (ev): -2.0496 -2.0493 -1.3085 -1.3077 -1.0027 -1.0026 -0.6179 -0.6177 -0.3340 -0.3340 0.0532 0.0533 2.5445 2.5448 2.9331 2.9344 3.3261 3.3270 3.9757 3.9758 5.0508 5.0510 5.3660 5.3672 5.8169 5.8185 6.0220 6.0221 6.2005 6.2011 6.3616 6.3626 6.5399 6.5399 6.7974 6.7974 7.0839 7.0848 7.3247 7.3265 7.7144 7.7144 8.0678 8.0681 8.3103 8.3103 8.5974 8.5975 8.8529 8.8529 10.3389 10.3390 11.6829 11.6833 12.2229 12.2233 13.0320 13.0329 k = 0.5000-2.4390-1.4178 ( 6258 PWs) bands (ev): -2.0453 -2.0453 -1.3079 -1.3079 -1.0009 -1.0009 -0.6160 -0.6160 -0.3331 -0.3331 0.0554 0.0554 2.5409 2.5409 2.9305 2.9305 3.3227 3.3227 3.9719 3.9719 5.0505 5.0505 5.3733 5.3733 5.8129 5.8129 6.0211 6.0211 6.1991 6.1991 6.3610 6.3610 6.5392 6.5392 6.7967 6.7967 7.0863 7.0863 7.3253 7.3253 7.7144 7.7144 8.0656 8.0656 8.3102 8.3102 8.5977 8.5977 8.8531 8.8531 10.3386 10.3386 11.6817 11.6817 12.2226 12.2226 13.0318 13.0318 k = 0.5000-2.4390-1.4178 ( 6258 PWs) bands (ev): -2.0453 -2.0453 -1.3079 -1.3079 -1.0009 -1.0009 -0.6160 -0.6160 -0.3331 -0.3331 0.0554 0.0554 2.5409 2.5409 2.9305 2.9305 3.3227 3.3227 3.9719 3.9719 5.0505 5.0505 5.3733 5.3733 5.8129 5.8129 6.0211 6.0211 6.1991 6.1991 6.3610 6.3610 6.5392 6.5392 6.7967 6.7967 7.0863 7.0863 7.3253 7.3253 7.7144 7.7144 8.0656 8.0656 8.3102 8.3102 8.5977 8.5977 8.8531 8.8531 10.3386 10.3386 11.6817 11.6817 12.2226 12.2226 13.0318 13.0318 k = 0.5000-2.4127-1.4630 ( 6266 PWs) bands (ev): -2.0447 -2.0445 -1.3074 -1.3067 -1.0001 -0.9999 -0.6157 -0.6155 -0.3331 -0.3326 0.0548 0.0549 2.5418 2.5423 2.9312 2.9318 3.3234 3.3241 3.9731 3.9733 5.0500 5.0502 5.3736 5.3740 5.8133 5.8138 6.0192 6.0201 6.1991 6.2005 6.3600 6.3614 6.5343 6.5363 6.7902 6.7910 7.0845 7.0856 7.3277 7.3282 7.7072 7.7078 8.0567 8.0669 8.2822 8.2935 8.6170 8.6172 8.8530 8.8552 10.3449 10.3453 11.6857 11.6860 12.2227 12.2234 13.0364 13.0368 k = 0.5000-2.3864-1.5083 ( 6262 PWs) bands (ev): -2.0425 -2.0421 -1.3052 -1.3038 -0.9975 -0.9972 -0.6145 -0.6142 -0.3325 -0.3316 0.0532 0.0533 2.5452 2.5462 2.9338 2.9350 3.3261 3.3274 3.9768 3.9772 5.0486 5.0490 5.3749 5.3757 5.8152 5.8161 6.0143 6.0160 6.2005 6.2032 6.3582 6.3611 6.5214 6.5257 6.7726 6.7742 7.0802 7.0825 7.3349 7.3357 7.6864 7.6879 8.0380 8.0598 8.2262 8.2475 8.6555 8.6583 8.8584 8.8637 10.3638 10.3647 11.6980 11.6987 12.2240 12.2253 13.0506 13.0513 k = 0.5000-2.3601-1.5535 ( 6262 PWs) bands (ev): -2.0388 -2.0381 -1.3013 -1.2993 -0.9932 -0.9927 -0.6125 -0.6121 -0.3314 -0.3301 0.0505 0.0506 2.5510 2.5525 2.9384 2.9402 3.3308 3.3328 3.9831 3.9837 5.0463 5.0470 5.3772 5.3784 5.8183 5.8198 6.0061 6.0086 6.2034 6.2072 6.3548 6.3597 6.5005 6.5073 6.7468 6.7490 7.0732 7.0766 7.3448 7.3459 7.6535 7.6560 8.0055 8.0386 8.1663 8.1959 8.6829 8.6902 8.8819 8.8905 10.3945 10.3958 11.7181 11.7192 12.2265 12.2287 13.0741 13.0750 k = 0.5000-2.3338-1.5987 ( 6280 PWs) bands (ev): -2.0335 -2.0327 -1.2957 -1.2931 -0.9871 -0.9865 -0.6097 -0.6091 -0.3298 -0.3281 0.0467 0.0468 2.5591 2.5611 2.9448 2.9472 3.3376 3.3402 3.9919 3.9927 5.0431 5.0440 5.3805 5.3821 5.8228 5.8248 5.9941 5.9974 6.2075 6.2123 6.3482 6.3560 6.4724 6.4824 6.7162 6.7189 7.0630 7.0676 7.3548 7.3558 7.6106 7.6145 7.9560 7.9938 8.1210 8.1515 8.6843 8.6942 8.9332 8.9426 10.4356 10.4373 11.7452 11.7466 12.2310 12.2340 13.1064 13.1074 k = 0.5000-2.3075-1.6440 ( 6276 PWs) bands (ev): -2.0268 -2.0258 -1.2886 -1.2852 -0.9792 -0.9785 -0.6062 -0.6054 -0.3278 -0.3257 0.0419 0.0420 2.5697 2.5722 2.9532 2.9561 3.3463 3.3497 4.0031 4.0041 5.0387 5.0399 5.3848 5.3869 5.8284 5.8311 5.9775 5.9817 6.2129 6.2184 6.3353 6.3467 6.4408 6.4545 6.6840 6.6869 7.0490 7.0548 7.3611 7.3615 7.5610 7.5672 7.8929 7.9284 8.0917 8.1158 8.6645 8.6753 9.0041 9.0127 10.4855 10.4876 11.7781 11.7801 12.2382 12.2422 13.1463 13.1472 k = 0.5000-2.2812-1.6892 ( 6286 PWs) bands (ev): -2.0187 -2.0175 -1.2799 -1.2758 -0.9697 -0.9688 -0.6018 -0.6009 -0.3253 -0.3228 0.0360 0.0361 2.5826 2.5856 2.9634 2.9668 3.3571 3.3612 4.0168 4.0180 5.0332 5.0346 5.3902 5.3928 5.8348 5.8384 5.9554 5.9604 6.2191 6.2247 6.3108 6.3250 6.4144 6.4303 6.6523 6.6550 7.0304 7.0374 7.3564 7.3576 7.5109 7.5202 7.8241 7.8562 8.0676 8.0842 8.6318 8.6433 9.0844 9.0917 10.5425 10.5448 11.8154 11.8181 12.2492 12.2543 13.1907 13.1918 k = 0.5000-2.2549-1.7344 ( 6288 PWs) bands (ev): -2.0091 -2.0077 -1.2696 -1.2649 -0.9585 -0.9574 -0.5967 -0.5957 -0.3224 -0.3195 0.0290 0.0292 2.5978 2.6013 2.9753 2.9792 3.3700 3.3748 4.0329 4.0342 5.0263 5.0280 5.3966 5.3997 5.8411 5.8463 5.9266 5.9321 6.2248 6.2280 6.2744 6.2901 6.3999 6.4147 6.6216 6.6239 7.0062 7.0144 7.3307 7.3340 7.4704 7.4828 7.7571 7.7868 8.0425 8.0526 8.5913 8.6035 9.1690 9.1751 10.6047 10.6072 11.8555 11.8590 12.2656 12.2718 13.2289 13.2360 k = 0.5000-2.2287-1.7796 ( 6298 PWs) bands (ev): -1.9981 -1.9965 -1.2579 -1.2525 -0.9456 -0.9444 -0.5909 -0.5899 -0.3192 -0.3159 0.0210 0.0212 2.6153 2.6192 2.9891 2.9934 3.3849 3.3904 4.0513 4.0528 5.0179 5.0199 5.4040 5.4076 5.8424 5.8514 5.8932 5.8982 6.2108 6.2137 6.2476 6.2666 6.3935 6.4065 6.5919 6.5935 6.9755 6.9848 7.2807 7.2850 7.4440 7.4571 7.6986 7.7260 8.0139 8.0187 8.5457 8.5586 9.2558 9.2609 10.6707 10.6734 11.8967 11.9009 12.2886 12.2960 13.2101 13.2307 k = 0.5000-2.2024-1.8249 ( 6298 PWs) bands (ev): -1.9858 -1.9840 -1.2449 -1.2387 -0.9311 -0.9298 -0.5845 -0.5834 -0.3156 -0.3120 0.0121 0.0122 2.6350 2.6395 3.0044 3.0092 3.4019 3.4081 4.0719 4.0735 5.0079 5.0102 5.4122 5.4164 5.8155 5.8276 5.8785 5.8806 6.1675 6.1703 6.2520 6.2693 6.3904 6.4022 6.5627 6.5632 6.9376 6.9475 7.2152 7.2195 7.4216 7.4331 7.6547 7.6789 7.9805 7.9815 8.4972 8.5107 9.3441 9.3482 10.7391 10.7420 11.9373 11.9421 12.3194 12.3280 13.1651 13.1837 k = 0.5000-2.1761-1.8701 ( 6298 PWs) bands (ev): -1.9722 -1.9702 -1.2305 -1.2237 -0.9151 -0.9136 -0.5775 -0.5763 -0.3118 -0.3079 0.0022 0.0023 2.6570 2.6619 3.0214 3.0264 3.4209 3.4279 4.0946 4.0964 4.9963 4.9988 5.4211 5.4259 5.7558 5.7671 5.8850 5.8865 6.1214 6.1240 6.2618 6.2797 6.3884 6.3999 6.5325 6.5336 6.8923 6.9022 7.1433 7.1471 7.3942 7.4022 7.6284 7.6480 7.9394 7.9428 8.4473 8.4611 9.4334 9.4367 10.8088 10.8118 11.9760 11.9813 12.3586 12.3681 13.1144 13.1321 k = 0.5000-2.1498-1.9153 ( 6304 PWs) bands (ev): -1.9573 -1.9551 -1.2150 -1.2074 -0.8975 -0.8959 -0.5699 -0.5688 -0.3078 -0.3037 -0.0087 -0.0086 2.6810 2.6864 3.0398 3.0452 3.4419 3.4497 4.1194 4.1213 4.9829 4.9857 5.4304 5.4360 5.6804 5.6911 5.8945 5.8974 6.0780 6.0809 6.2729 6.2923 6.3866 6.3982 6.5006 6.5042 6.8402 6.8491 7.0703 7.0732 7.3603 7.3643 7.6168 7.6316 7.8935 7.8995 8.3974 8.4112 9.5235 9.5262 10.8790 10.8821 12.0122 12.0177 12.4057 12.4159 13.0599 13.0768 k = 0.5000-2.1235-1.9605 ( 6304 PWs) bands (ev): -1.9413 -1.9389 -1.1985 -1.1901 -0.8786 -0.8768 -0.5618 -0.5607 -0.3038 -0.2994 -0.0204 -0.0203 2.7072 2.7130 3.0597 3.0652 3.4649 3.4735 4.1459 4.1479 4.9678 4.9709 5.4395 5.4462 5.5949 5.6047 5.9039 5.9076 6.0381 6.0416 6.2843 6.3061 6.3843 6.3958 6.4669 6.4745 6.7832 6.7899 6.9992 7.0018 7.3218 7.3230 7.6147 7.6255 7.8434 7.8514 8.3486 8.3620 9.6146 9.6167 10.9492 10.9523 12.0458 12.0512 12.4593 12.4701 13.0025 13.0189 k = 0.5000-2.0972-2.0058 ( 6300 PWs) bands (ev): -1.9242 -1.9216 -1.1810 -1.1718 -0.8582 -0.8563 -0.5532 -0.5523 -0.2998 -0.2952 -0.0329 -0.0328 2.7354 2.7417 3.0807 3.0865 3.4898 3.4992 4.1741 4.1762 4.9508 4.9542 5.4458 5.4559 5.5047 5.5118 5.9085 5.9122 6.0045 6.0084 6.2954 6.3200 6.3799 6.3896 6.4315 6.4473 6.7236 6.7279 6.9317 6.9357 7.2796 7.2826 7.6178 7.6256 7.7896 7.7989 8.3017 8.3142 9.7066 9.7082 11.0192 11.0223 12.0769 12.0820 12.5173 12.5283 12.9431 12.9594 k = 0.5000-2.0709-2.0510 ( 6308 PWs) bands (ev): -1.9060 -1.9034 -1.1628 -1.1528 -0.8365 -0.8345 -0.5442 -0.5435 -0.2958 -0.2911 -0.0463 -0.0460 2.7655 2.7723 3.1029 3.1089 3.5165 3.5268 4.2036 4.2058 4.9319 4.9357 5.3985 5.4124 5.4633 5.4665 5.8976 5.8993 5.9862 5.9905 6.3052 6.3311 6.3638 6.3731 6.4021 6.4313 6.6643 6.6676 6.8700 6.8757 7.2366 7.2419 7.6235 7.6292 7.7328 7.7425 8.2572 8.2684 9.7999 9.8010 11.0888 11.0919 12.1056 12.1103 12.5762 12.5877 12.8831 12.8998 k = 0.5000-2.0446-2.0962 ( 6304 PWs) bands (ev): -1.8870 -1.8842 -1.1439 -1.1331 -0.8136 -0.8115 -0.5349 -0.5344 -0.2921 -0.2874 -0.0603 -0.0598 2.7975 2.8048 3.1261 3.1322 3.5450 3.5561 4.2342 4.2364 4.9110 4.9151 5.3022 5.3132 5.4675 5.4731 5.8639 5.8645 5.9872 5.9931 6.3110 6.3167 6.3334 6.3526 6.3960 6.4291 6.6083 6.6125 6.8155 6.8222 7.1935 7.2007 7.6296 7.6342 7.6747 7.6835 8.2155 8.2252 9.8945 9.8952 11.1582 11.1613 12.1321 12.1363 12.6300 12.6423 12.8262 12.8443 k = 0.5000-2.0183-2.1415 ( 6294 PWs) bands (ev): -1.8672 -1.8642 -1.1246 -1.1130 -0.7896 -0.7874 -0.5252 -0.5250 -0.2887 -0.2841 -0.0748 -0.0742 2.8313 2.8391 3.1500 3.1562 3.5751 3.5871 4.2653 4.2676 4.8874 4.8923 5.2044 5.2141 5.4708 5.4774 5.8155 5.8171 5.9983 6.0058 6.2698 6.2790 6.3222 6.3535 6.4029 6.4344 6.5586 6.5635 6.7688 6.7754 7.1504 7.1591 7.6075 7.6192 7.6417 7.6456 8.1768 8.1846 9.9905 9.9909 11.2276 11.2308 12.1561 12.1600 12.6613 12.6728 12.7894 12.8081 k = 0.5000-1.9920-2.1867 ( 6294 PWs) bands (ev): -1.8467 -1.8436 -1.1051 -1.0926 -0.7646 -0.7623 -0.5155 -0.5152 -0.2859 -0.2814 -0.0899 -0.0888 2.8668 2.8751 3.1745 3.1808 3.6067 3.6195 4.2963 4.2986 4.8603 4.8663 5.1097 5.1181 5.4701 5.4773 5.7599 5.7616 6.0130 6.0224 6.2174 6.2268 6.3242 6.3514 6.4162 6.4441 6.5160 6.5208 6.7296 6.7353 7.1074 7.1173 7.5470 7.5570 7.6490 7.6512 8.1411 8.1469 10.0883 10.0884 11.2974 11.3005 12.1775 12.1812 12.6413 12.6450 12.8035 12.8163 k = 0.5000-1.9657-2.2319 ( 6286 PWs) bands (ev): -1.8258 -1.8225 -1.0856 -1.0722 -0.7386 -0.7364 -0.5057 -0.5049 -0.2837 -0.2795 -0.1052 -0.1037 2.9038 2.9126 3.1995 3.2058 3.6394 3.6530 4.3262 4.3286 4.8273 4.8351 5.0226 5.0293 5.4637 5.4713 5.6989 5.7007 6.0288 6.0407 6.1662 6.1759 6.3241 6.3460 6.4307 6.4548 6.4810 6.4850 6.6972 6.7017 7.0652 7.0759 7.4841 7.4928 7.6574 7.6589 8.1082 8.1121 10.1877 10.1880 11.3677 11.3708 12.1959 12.1999 12.5861 12.5872 12.8344 12.8442 k = 0.5000-1.9394-2.2771 ( 6286 PWs) bands (ev): -1.8044 -1.8010 -1.0662 -1.0520 -0.7119 -0.7097 -0.4958 -0.4943 -0.2824 -0.2786 -0.1206 -0.1187 2.9422 2.9517 3.2245 3.2309 3.6729 3.6874 4.3535 4.3559 4.7848 4.7951 4.9492 4.9538 5.4499 5.4577 5.6337 5.6360 6.0438 6.0598 6.1206 6.1326 6.3213 6.3379 6.4296 6.4423 6.4685 6.4777 6.6703 6.6740 7.0244 7.0357 7.4206 7.4281 7.6661 7.6671 8.0781 8.0801 10.2891 10.2897 11.4389 11.4420 12.2113 12.2159 12.5197 12.5223 12.8405 12.8487 k = 0.5000-1.9132-2.3224 ( 6292 PWs) bands (ev): -1.7829 -1.7793 -1.0474 -1.0322 -0.6845 -0.6824 -0.4857 -0.4835 -0.2821 -0.2790 -0.1360 -0.1334 2.9819 2.9920 3.2495 3.2559 3.7069 3.7221 4.3753 4.3779 4.7314 4.7443 4.8943 4.8972 5.4278 5.4355 5.5655 5.5687 6.0530 6.0780 6.0852 6.1046 6.3154 6.3269 6.4033 6.4155 6.4818 6.4935 6.6477 6.6518 6.9862 6.9978 7.3570 7.3634 7.6748 7.6755 8.0502 8.0512 10.3927 10.3935 11.5110 11.5142 12.2235 12.2290 12.4507 12.4537 12.8024 12.8112 k = 0.5000-1.8869-2.3676 ( 6296 PWs) bands (ev): -1.7614 -1.7577 -1.0292 -1.0132 -0.6567 -0.6547 -0.4754 -0.4724 -0.2832 -0.2809 -0.1512 -0.1478 3.0225 3.0334 3.2742 3.2805 3.7406 3.7565 4.3866 4.3896 4.6755 4.6898 4.8555 4.8577 5.3975 5.4049 5.4959 5.5001 6.0477 6.0573 6.0983 6.1028 6.3051 6.3121 6.3761 6.3920 6.5003 6.5111 6.6289 6.6341 6.9514 6.9632 7.2938 7.2990 7.6835 7.6841 8.0238 8.0258 10.4985 10.4994 11.5841 11.5873 12.2325 12.2389 12.3808 12.3838 12.7444 12.7546 k = 0.5000-1.8606-2.4128 ( 6302 PWs) bands (ev): -1.7401 -1.7363 -1.0120 -0.9951 -0.6286 -0.6267 -0.4649 -0.4610 -0.2857 -0.2844 -0.1659 -0.1616 3.0637 3.0756 3.2983 3.3045 3.7733 3.7896 4.3800 4.3835 4.6315 4.6462 4.8271 4.8289 5.3605 5.3674 5.4264 5.4312 6.0371 6.0414 6.1115 6.1203 6.2889 6.2924 6.3549 6.3742 6.5178 6.5280 6.6142 6.6209 6.9208 6.9326 7.2311 7.2354 7.6921 7.6928 7.9995 8.0028 10.6066 10.6076 11.6580 11.6613 12.2374 12.2443 12.3124 12.3145 12.6807 12.6923 k = 0.5000-1.8343-2.4581 ( 6302 PWs) bands (ev): -1.7193 -1.7154 -0.9959 -0.9783 -0.6005 -0.5988 -0.4542 -0.4492 -0.2899 -0.2896 -0.1799 -0.1747 3.1052 3.1182 3.3217 3.3276 3.8034 3.8199 4.3514 4.3549 4.6091 4.6229 4.8050 4.8066 5.3191 5.3254 5.3588 5.3636 6.0303 6.0337 6.1247 6.1396 6.2675 6.2696 6.3416 6.3619 6.5307 6.5409 6.6055 6.6139 6.8949 6.9065 7.1695 7.1730 7.7007 7.7015 7.9774 7.9820 10.7168 10.7180 11.7320 11.7353 12.2270 12.2282 12.2572 12.2642 12.6156 12.6288 k = 0.5000-1.8080-2.5033 ( 6304 PWs) bands (ev): -1.6993 -1.6954 -0.9814 -0.9630 -0.5725 -0.5712 -0.4433 -0.4371 -0.2967 -0.2957 -0.1933 -0.1871 3.1462 3.1608 3.3443 3.3497 3.8290 3.8450 4.3076 4.3115 4.6039 4.6164 4.7875 4.7889 5.2760 5.2812 5.2952 5.2991 6.0264 6.0308 6.1360 6.1581 6.2425 6.2524 6.3337 6.3536 6.5342 6.5437 6.6075 6.6162 6.8737 6.8850 7.1093 7.1124 7.7093 7.7102 7.9574 7.9631 10.8289 10.8303 11.8045 11.8076 12.1672 12.1712 12.2461 12.2582 12.5514 12.5666 k = 0.5000-1.7817-2.5485 ( 6306 PWs) bands (ev): -1.6803 -1.6764 -0.9684 -0.9494 -0.5451 -0.5442 -0.4323 -0.4247 -0.3051 -0.3031 -0.2059 -0.1989 3.1860 3.2025 3.3663 3.3707 3.8471 3.8616 4.2609 4.2670 4.6059 4.6172 4.7736 4.7748 5.2301 5.2347 5.2394 5.2441 6.0219 6.0284 6.1447 6.1744 6.2238 6.2434 6.3287 6.3482 6.5273 6.5349 6.6205 6.6277 6.8569 6.8677 7.0512 7.0542 7.7177 7.7188 7.9395 7.9462 10.9427 10.9442 11.8702 11.8724 12.1081 12.1133 12.2399 12.2539 12.4911 12.5087 k = 0.5000-1.7554-2.5937 ( 6302 PWs) bands (ev): -1.6628 -1.6588 -0.9573 -0.9376 -0.5187 -0.5180 -0.4211 -0.4124 -0.3144 -0.3117 -0.2180 -0.2105 3.2232 3.2421 3.3879 3.3911 3.8541 3.8657 4.2217 4.2318 4.6086 4.6192 4.7623 4.7635 5.1788 5.1833 5.1987 5.2043 6.0131 6.0223 6.1530 6.1856 6.2192 6.2444 6.3257 6.3451 6.5127 6.5191 6.6385 6.6444 6.8444 6.8542 6.9962 6.9992 7.7260 7.7273 7.9237 7.9313 11.0575 11.0592 11.9093 11.9104 12.0734 12.0820 12.2282 12.2435 12.4396 12.4596 k = 0.5000-1.7291-2.6390 ( 6302 PWs) bands (ev): -1.6471 -1.6431 -0.9481 -0.9279 -0.4938 -0.4931 -0.4101 -0.4007 -0.3235 -0.3208 -0.2297 -0.2220 3.2561 3.2780 3.4094 3.4117 3.8471 3.8550 4.1961 4.2113 4.6098 4.6200 4.7519 4.7531 5.1332 5.1370 5.1669 5.1718 5.9994 6.0108 6.1647 6.1937 6.2292 6.2526 6.3241 6.3439 6.4927 6.4985 6.6578 6.6629 6.8354 6.8439 6.9452 6.9481 7.7339 7.7355 7.9101 7.9185 11.1724 11.1743 11.8899 11.8922 12.0924 12.1045 12.2083 12.2219 12.4051 12.4260 k = 0.5000-1.7028-2.6842 ( 6308 PWs) bands (ev): -1.6337 -1.6295 -0.9408 -0.9202 -0.4709 -0.4700 -0.4001 -0.3914 -0.3303 -0.3291 -0.2413 -0.2339 3.2830 3.3079 3.4307 3.4339 3.8276 3.8320 4.1847 4.2048 4.6099 4.6201 4.7410 4.7423 5.0957 5.0992 5.1423 5.1466 5.9834 5.9961 6.1805 6.2061 6.2446 6.2649 6.3240 6.3447 6.4681 6.4738 6.6765 6.6815 6.8297 6.8359 6.8994 6.9023 7.7412 7.7431 7.8990 7.9080 11.2857 11.2879 11.8367 11.8385 12.1318 12.1517 12.1856 12.1902 12.3963 12.4153 k = 0.5000-1.6765-2.7294 ( 6304 PWs) bands (ev): -1.6228 -1.6187 -0.9355 -0.9146 -0.4502 -0.4497 -0.3930 -0.3881 -0.3345 -0.3313 -0.2526 -0.2459 3.3025 3.3298 3.4519 3.4568 3.8014 3.8034 4.1829 4.2069 4.6102 4.6207 4.7290 4.7303 5.0667 5.0705 5.1252 5.1289 5.9687 5.9820 6.1992 6.2231 6.2610 6.2789 6.3253 6.3472 6.4394 6.4457 6.6931 6.6988 6.8259 6.8290 6.8600 6.8644 7.7476 7.7498 7.8908 7.9002 11.3941 11.3970 11.7744 11.7757 12.1228 12.1428 12.1967 12.2057 12.4179 12.4329 k = 0.5000-1.6502-2.7747 ( 6294 PWs) bands (ev): -1.6150 -1.6109 -0.9321 -0.9110 -0.4332 -0.4319 -0.3924 -0.3911 -0.3350 -0.3256 -0.2629 -0.2576 3.3146 3.3433 3.4709 3.4770 3.7763 3.7777 4.1851 4.2117 4.6118 4.6228 4.7175 4.7185 5.0466 5.0507 5.1149 5.1181 5.9584 5.9718 6.2186 6.2419 6.2771 6.2935 6.3264 6.3488 6.4098 6.4177 6.7062 6.7136 6.8122 6.8242 6.8301 6.8441 7.7528 7.7552 7.8857 7.8955 11.4909 11.4954 11.7107 11.7127 12.0912 12.1051 12.2240 12.2305 12.4688 12.4789 k = 0.5000-1.6239-2.8199 ( 6290 PWs) bands (ev): -1.6108 -1.6066 -0.9304 -0.9092 -0.4226 -0.4168 -0.4016 -0.3930 -0.3322 -0.3181 -0.2701 -0.2667 3.3202 3.3494 3.4829 3.4895 3.7603 3.7622 4.1870 4.2149 4.6141 4.6257 4.7096 4.7102 5.0351 5.0394 5.1102 5.1132 5.9539 5.9676 6.2367 6.2595 6.2920 6.3071 6.3196 6.3372 6.3909 6.4027 6.7134 6.7244 6.7899 6.8023 6.8300 6.8412 7.7567 7.7591 7.8841 7.8940 11.5585 11.5676 11.6528 11.6593 12.0717 12.0833 12.2398 12.2449 12.5388 12.5449 k = 0.5000-1.5977-2.8651 ( 6280 PWs) bands (ev): -1.6106 -1.6064 -0.9303 -0.9091 -0.4218 -0.4151 -0.4030 -0.3933 -0.3319 -0.3176 -0.2706 -0.2673 3.3205 3.3498 3.4835 3.4902 3.7597 3.7617 4.1863 4.2143 4.6151 4.6268 4.7096 4.7102 5.0320 5.0363 5.1100 5.1130 5.9562 5.9701 6.2520 6.2730 6.2864 6.3020 6.3088 6.3239 6.3969 6.4117 6.7125 6.7283 6.7728 6.7893 6.8340 6.8449 7.7591 7.7615 7.8860 7.8958 11.5515 11.5606 11.6404 11.6473 12.0809 12.0924 12.2504 12.2555 12.5926 12.6023 k = 0.8310-1.5641-2.8061 ( 6280 PWs) bands (ev): -1.6106 -1.6064 -0.9303 -0.9091 -0.4218 -0.4151 -0.4030 -0.3933 -0.3319 -0.3176 -0.2706 -0.2673 3.3205 3.3498 3.4835 3.4902 3.7597 3.7617 4.1863 4.2143 4.6151 4.6268 4.7096 4.7102 5.0320 5.0363 5.1100 5.1130 5.9562 5.9701 6.2520 6.2730 6.2864 6.3020 6.3088 6.3239 6.3969 6.4117 6.7125 6.7283 6.7728 6.7893 6.8340 6.8449 7.7591 7.7615 7.8860 7.8958 11.5515 11.5606 11.6404 11.6473 12.0809 12.0924 12.2504 12.2555 12.5926 12.6024 k = 0.8258-1.5384-2.7611 ( 6288 PWs) bands (ev): -1.6146 -1.6105 -0.9316 -0.9105 -0.4297 -0.4277 -0.3953 -0.3925 -0.3365 -0.3262 -0.2632 -0.2580 3.3171 3.3461 3.4730 3.4794 3.7744 3.7761 4.1827 4.2098 4.6132 4.6245 4.7199 4.7210 5.0370 5.0411 5.1138 5.1170 5.9647 5.9794 6.2430 6.2567 6.2651 6.2843 6.3221 6.3374 6.4194 6.4338 6.7050 6.7221 6.7672 6.7849 6.8399 6.8514 7.7604 7.7625 7.8912 7.9007 11.4978 11.5032 11.6385 11.6425 12.1213 12.1350 12.2638 12.2701 12.5777 12.5831 k = 0.8205-1.5128-2.7161 ( 6280 PWs) bands (ev): -1.6233 -1.6192 -0.9342 -0.9132 -0.4416 -0.4415 -0.3968 -0.3932 -0.3417 -0.3373 -0.2512 -0.2445 3.3112 3.3395 3.4555 3.4615 3.7997 3.8012 4.1765 4.2021 4.6100 4.6209 4.7390 4.7404 5.0496 5.0532 5.1216 5.1253 5.9781 5.9944 6.1940 6.2100 6.2741 6.2907 6.3368 6.3509 6.4496 6.4627 6.6950 6.7100 6.7697 6.7851 6.8467 6.8589 7.7611 7.7628 7.8990 7.9083 11.4380 11.4421 11.6105 11.6137 12.1698 12.1851 12.2960 12.3022 12.5616 12.5663 k = 0.8153-1.4872-2.6711 ( 6280 PWs) bands (ev): -1.6369 -1.6328 -0.9380 -0.9172 -0.4562 -0.4557 -0.4085 -0.4001 -0.3450 -0.3438 -0.2376 -0.2301 3.3040 3.3313 3.4355 3.4410 3.8306 3.8325 4.1690 4.1924 4.6086 4.6192 4.7631 4.7645 5.0693 5.0724 5.1342 5.1383 5.9930 6.0129 6.1439 6.1638 6.2818 6.2957 6.3516 6.3641 6.4839 6.4959 6.6857 6.6980 6.7754 6.7873 6.8533 6.8661 7.7618 7.7632 7.9089 7.9178 11.3784 11.3816 11.5661 11.5688 12.1977 12.2099 12.3571 12.3633 12.5505 12.5596 k = 0.8100-1.4615-2.6261 ( 6286 PWs) bands (ev): -1.6555 -1.6514 -0.9430 -0.9224 -0.4723 -0.4722 -0.4254 -0.4157 -0.3476 -0.3445 -0.2243 -0.2165 3.2966 3.3227 3.4160 3.4212 3.8636 3.8665 4.1613 4.1820 4.6111 4.6216 4.7892 4.7902 5.0957 5.0982 5.1522 5.1566 6.0004 6.0256 6.1021 6.1277 6.2882 6.3000 6.3663 6.3771 6.5204 6.5315 6.6787 6.6883 6.7827 6.7911 6.8587 6.8718 7.7630 7.7641 7.9202 7.9289 11.3201 11.3228 11.5134 11.5156 12.2066 12.2161 12.4092 12.4246 12.5279 12.5411 k = 0.8048-1.4359-2.5811 ( 6292 PWs) bands (ev): -1.6792 -1.6751 -0.9492 -0.9288 -0.4922 -0.4907 -0.4437 -0.4354 -0.3488 -0.3452 -0.2122 -0.2043 3.2900 3.3147 3.3989 3.4038 3.8966 3.9008 4.1548 4.1724 4.6190 4.6295 4.8153 4.8159 5.1281 5.1298 5.1762 5.1808 5.9838 6.0031 6.0980 6.1178 6.2940 6.3041 6.3809 6.3899 6.5575 6.5677 6.6751 6.6818 6.7916 6.7965 6.8624 6.8758 7.7652 7.7661 7.9323 7.9410 11.2638 11.2662 11.4565 11.4584 12.2056 12.2141 12.4237 12.4447 12.4964 12.5132 k = 0.7995-1.4103-2.5361 ( 6286 PWs) bands (ev): -1.7078 -1.7038 -0.9568 -0.9367 -0.5167 -0.5129 -0.4611 -0.4553 -0.3506 -0.3472 -0.2018 -0.1939 3.2851 3.3082 3.3853 3.3897 3.9280 3.9339 4.1506 4.1648 4.6330 4.6436 4.8404 4.8407 5.1653 5.1660 5.2068 5.2115 5.9434 5.9539 6.1225 6.1336 6.2993 6.3081 6.3956 6.4026 6.5930 6.6017 6.6772 6.6808 6.8012 6.8036 6.8649 6.8784 7.7688 7.7695 7.9450 7.9537 11.2099 11.2119 11.3979 11.3995 12.1978 12.2061 12.4113 12.4289 12.4787 12.4944 k = 0.7943-1.3847-2.4911 ( 6282 PWs) bands (ev): -1.7412 -1.7373 -0.9661 -0.9462 -0.5460 -0.5399 -0.4767 -0.4734 -0.3541 -0.3510 -0.1934 -0.1856 3.2825 3.3039 3.3756 3.3798 3.9569 3.9647 4.1504 4.1608 4.6531 4.6636 4.8641 4.8651 5.2049 5.2059 5.2441 5.2494 5.8933 5.8995 6.1534 6.1604 6.3046 6.3124 6.4102 6.4153 6.6222 6.6277 6.6867 6.6924 6.8072 6.8128 6.8688 6.8816 7.7738 7.7747 7.9578 7.9668 11.1586 11.1604 11.3388 11.3401 12.1837 12.1922 12.3853 12.3953 12.4767 12.4871 k = 0.7890-1.3590-2.4461 ( 6282 PWs) bands (ev): -1.7793 -1.7754 -0.9772 -0.9575 -0.5792 -0.5716 -0.4908 -0.4892 -0.3597 -0.3570 -0.1873 -0.1796 3.2827 3.3025 3.3703 3.3744 3.9821 3.9921 4.1558 4.1625 4.6785 4.6890 4.8877 4.8894 5.2450 5.2476 5.2879 5.2948 5.8406 5.8449 6.1852 6.1915 6.3100 6.3171 6.4248 6.4283 6.6395 6.6427 6.7080 6.7195 6.8072 6.8189 6.8790 6.8904 7.7806 7.7818 7.9706 7.9798 11.1102 11.1117 11.2799 11.2810 12.1636 12.1723 12.3519 12.3580 12.4826 12.4899 k = 0.7837-1.3334-2.4010 ( 6282 PWs) bands (ev): -1.8216 -1.8178 -0.9906 -0.9711 -0.6155 -0.6070 -0.5039 -0.5033 -0.3677 -0.3652 -0.1837 -0.1761 3.2861 3.3041 3.3697 3.3738 4.0033 4.0152 4.1680 4.1720 4.7082 4.7184 4.9123 4.9150 5.2853 5.2890 5.3377 5.3462 5.7885 5.7921 6.2158 6.2240 6.3156 6.3225 6.4387 6.4424 6.6490 6.6521 6.7361 6.7526 6.8005 6.8196 6.8990 6.9091 7.7890 7.7906 7.9832 7.9928 11.0648 11.0661 11.2218 11.2228 12.1380 12.1470 12.3143 12.3203 12.4945 12.5006 k = 0.7785-1.3078-2.3560 ( 6288 PWs) bands (ev): -1.8680 -1.8642 -1.0066 -0.9874 -0.6543 -0.6453 -0.5165 -0.5160 -0.3781 -0.3757 -0.1826 -0.1752 3.2927 3.3092 3.3739 3.3781 4.0209 4.0336 4.1874 4.1909 4.7404 4.7502 4.9395 4.9431 5.3247 5.3287 5.3920 5.4018 5.7393 5.7434 6.2447 6.2562 6.3218 6.3290 6.4520 6.4574 6.6573 6.6608 6.7545 6.7684 6.8061 6.8257 6.9282 6.9375 7.7990 7.8011 7.9954 8.0055 11.0225 11.0235 11.1649 11.1657 12.1081 12.1171 12.2749 12.2821 12.5118 12.5176 k = 0.7732-1.2821-2.3110 ( 6280 PWs) bands (ev): -1.9179 -1.9143 -1.0256 -1.0066 -0.6950 -0.6859 -0.5286 -0.5279 -0.3908 -0.3886 -0.1842 -0.1769 3.3028 3.3176 3.3831 3.3874 4.0364 4.0490 4.2141 4.2182 4.7732 4.7823 4.9705 4.9752 5.3607 5.3645 5.4494 5.4601 5.6964 5.7018 6.2716 6.2873 6.3286 6.3369 6.4654 6.4728 6.6667 6.6706 6.7476 6.7499 6.8418 6.8521 6.9648 6.9731 7.8104 7.8131 8.0073 8.0179 10.9833 10.9842 11.1094 11.1101 12.0747 12.0834 12.2353 12.2433 12.5337 12.5396 k = 0.7680-1.2565-2.2660 ( 6280 PWs) bands (ev): -1.9712 -1.9676 -1.0480 -1.0294 -0.7372 -0.7281 -0.5401 -0.5394 -0.4059 -0.4037 -0.1883 -0.1812 3.3164 3.3295 3.3971 3.4017 4.0520 4.0634 4.2476 4.2521 4.8051 4.8131 5.0063 5.0122 5.3883 5.3920 5.5085 5.5200 5.6652 5.6733 6.2963 6.3164 6.3367 6.3469 6.4792 6.4881 6.6782 6.6821 6.7220 6.7244 6.8840 6.8908 7.0069 7.0141 7.8228 7.8263 8.0189 8.0301 10.9473 10.9479 11.0554 11.0561 12.0387 12.0467 12.1960 12.2041 12.5593 12.5655 k = 0.7627-1.2309-2.2210 ( 6278 PWs) bands (ev): -2.0274 -2.0239 -1.0742 -1.0560 -0.7804 -0.7715 -0.5510 -0.5505 -0.4233 -0.4210 -0.1951 -0.1882 3.3333 3.3448 3.4159 3.4207 4.0693 4.0793 4.2866 4.2912 4.8350 4.8418 5.0469 5.0540 5.4004 5.4050 5.5676 5.5799 5.6535 5.6660 6.3184 6.3398 6.3500 6.3601 6.4939 6.5030 6.6837 6.6897 6.6958 6.7009 6.9293 6.9345 7.0532 7.0591 7.8360 7.8403 8.0304 8.0423 10.9144 10.9147 11.0032 11.0039 12.0008 12.0077 12.1574 12.1651 12.5878 12.5944 k = 0.7575-1.2052-2.1760 ( 6286 PWs) bands (ev): -2.0862 -2.0827 -1.1045 -1.0870 -0.8243 -0.8158 -0.5614 -0.5611 -0.4428 -0.4403 -0.2045 -0.1976 3.3535 3.3632 3.4393 3.4442 4.0897 4.0979 4.3300 4.3347 4.8626 4.8684 5.0907 5.0990 5.3948 5.4007 5.6242 5.6377 5.6671 5.6858 6.3378 6.3522 6.3728 6.3781 6.5094 6.5162 6.6506 6.6562 6.7091 6.7145 6.9769 6.9809 7.1026 7.1072 7.8496 7.8548 8.0421 8.0545 10.8841 10.8846 10.9528 10.9538 11.9615 11.9671 12.1201 12.1269 12.6183 12.6254 k = 0.7522-1.1796-2.1310 ( 6290 PWs) bands (ev): -2.1472 -2.1438 -1.1391 -1.1224 -0.8686 -0.8606 -0.5713 -0.5710 -0.4645 -0.4617 -0.2163 -0.2096 3.3768 3.3847 3.4669 3.4720 4.1140 4.1205 4.3772 4.3818 4.8885 4.8933 5.1344 5.1437 5.3793 5.3863 5.6752 5.6863 5.7085 5.7295 6.3550 6.3636 6.3946 6.4017 6.5222 6.5274 6.6157 6.6191 6.7276 6.7326 7.0261 7.0292 7.1541 7.1576 7.8633 7.8693 8.0544 8.0673 10.8560 10.8573 10.9043 10.9062 11.9213 11.9254 12.0843 12.0899 12.6500 12.6577 k = 0.7470-1.1540-2.0860 ( 6282 PWs) bands (ev): -2.2101 -2.2068 -1.1782 -1.1624 -0.9132 -0.9059 -0.5806 -0.5800 -0.4881 -0.4849 -0.2304 -0.2238 3.4027 3.4086 3.4987 3.5036 4.1426 4.1473 4.4276 4.4321 4.9132 4.9174 5.1713 5.1811 5.3677 5.3755 5.7234 5.7303 5.7661 5.7855 6.3694 6.3766 6.4168 6.4258 6.5129 6.5423 6.5807 6.6002 6.7481 6.7528 7.0763 7.0786 7.2073 7.2097 7.8767 7.8835 8.0677 8.0810 10.8288 10.8325 10.8578 10.8619 11.8806 11.8833 12.0505 12.0547 12.6823 12.6905 k = 0.7417-1.1283-2.0410 ( 6282 PWs) bands (ev): -2.2746 -2.2714 -1.2216 -1.2068 -0.9581 -0.9516 -0.5895 -0.5882 -0.5136 -0.5098 -0.2467 -0.2402 3.4306 3.4345 3.5345 3.5391 4.1755 4.1786 4.4806 4.4849 4.9375 4.9414 5.1913 5.2003 5.3753 5.3832 5.7721 5.7772 5.8265 5.8455 6.3775 6.3914 6.4374 6.4475 6.4831 6.5357 6.5756 6.6049 6.7705 6.7747 7.1266 7.1285 7.2616 7.2632 7.8899 7.8973 8.0825 8.0960 10.7991 10.8086 10.8144 10.8243 11.8396 11.8415 12.0189 12.0217 12.7142 12.7231 k = 0.7365-1.1027-1.9960 ( 6286 PWs) bands (ev): -2.3405 -2.3373 -1.2690 -1.2553 -1.0034 -0.9978 -0.5980 -0.5957 -0.5409 -0.5360 -0.2650 -0.2586 3.4598 3.4616 3.5743 3.5784 4.2126 4.2143 4.5357 4.5399 4.9619 4.9660 5.1914 5.1986 5.4072 5.4148 5.8215 5.8259 5.8876 5.9066 6.3713 6.3949 6.4398 6.4588 6.4791 6.5252 6.5970 6.6212 6.7943 6.7981 7.1761 7.1782 7.3166 7.3178 7.9027 7.9105 8.0995 8.1129 10.7630 10.7698 10.7896 10.7968 11.7983 11.8007 11.9898 11.9912 12.7450 12.7545 k = 0.7312-1.0771-1.9510 ( 6282 PWs) bands (ev): -2.4074 -2.4042 -1.3200 -1.3075 -1.0492 -1.0445 -0.6070 -0.6028 -0.5694 -0.5626 -0.2849 -0.2788 3.4884 3.4896 3.6180 3.6215 4.2529 4.2544 4.5924 4.5963 4.9868 4.9916 5.1812 5.1874 5.4543 5.4618 5.8711 5.8751 5.9489 5.9682 6.3422 6.3571 6.4509 6.4716 6.5046 6.5361 6.6239 6.6429 6.8192 6.8226 7.2240 7.2268 7.3719 7.3732 7.9153 7.9233 8.1191 8.1320 10.7246 10.7292 10.7699 10.7749 11.7577 11.7612 11.9630 11.9639 12.7739 12.7842 k = 0.7259-1.0514-1.9059 ( 6292 PWs) bands (ev): -2.4751 -2.4719 -1.3742 -1.3628 -1.0959 -1.0920 -0.6200 -0.6128 -0.5958 -0.5861 -0.3064 -0.3004 3.5147 3.5178 3.6659 3.6685 4.2958 4.2984 4.6501 4.6536 5.0124 5.0185 5.1709 5.1774 5.5077 5.5149 5.9202 5.9242 6.0105 6.0301 6.2966 6.3031 6.4753 6.4919 6.5336 6.5576 6.6548 6.6688 6.8450 6.8479 7.2698 7.2735 7.4272 7.4289 7.9284 7.9362 8.1416 8.1539 10.6867 10.6905 10.7511 10.7552 11.7185 11.7231 11.9385 11.9402 12.8003 12.8113 k = 0.7207-1.0258-1.8609 ( 6292 PWs) bands (ev): -2.5433 -2.5402 -1.4310 -1.4206 -1.1434 -1.1403 -0.6429 -0.6387 -0.6073 -0.6004 -0.3290 -0.3232 3.5389 3.5439 3.7177 3.7197 4.3408 4.3449 4.7082 4.7111 5.0385 5.0465 5.1668 5.1745 5.5626 5.5693 5.9687 5.9730 6.0722 6.0924 6.2433 6.2464 6.5042 6.5180 6.5636 6.5824 6.6896 6.6987 6.8714 6.8737 7.3128 7.3174 7.4821 7.4843 7.9427 7.9500 8.1672 8.1786 10.6503 10.6535 10.7327 10.7363 11.6811 11.6867 11.9169 11.9195 12.8235 12.8353 k = 0.7154-1.0002-1.8159 ( 6288 PWs) bands (ev): -2.6118 -2.6087 -1.4899 -1.4804 -1.1921 -1.1895 -0.6741 -0.6724 -0.6118 -0.6075 -0.3526 -0.3470 3.5599 3.5665 3.7735 3.7751 4.3873 4.3927 4.7662 4.7684 5.0656 5.0753 5.1732 5.1819 5.6162 5.6222 6.0163 6.0218 6.1303 6.1526 6.1882 6.1955 6.5363 6.5483 6.5939 6.6081 6.7277 6.7331 6.8981 6.8998 7.3525 7.3580 7.5360 7.5388 7.9591 7.9658 8.1961 8.2065 10.6154 10.6183 10.7143 10.7175 11.6459 11.6524 11.8985 11.9018 12.8431 12.8557 k = 0.7102-0.9745-1.7709 ( 6302 PWs) bands (ev): -2.6805 -2.6774 -1.5506 -1.5419 -1.2418 -1.2397 -0.7093 -0.7088 -0.6145 -0.6115 -0.3768 -0.3715 3.5769 3.5845 3.8330 3.8344 4.4341 4.4409 4.8237 4.8251 5.0947 5.1053 5.1918 5.2006 5.6664 5.6719 6.0597 6.0697 6.1229 6.1318 6.2099 6.2227 6.5707 6.5817 6.6234 6.6337 6.7681 6.7727 6.9251 6.9262 7.3886 7.3947 7.5883 7.5916 7.9789 7.9848 8.2282 8.2377 10.5821 10.5848 10.6955 10.6985 11.6134 11.6205 11.8830 11.8870 12.8587 12.8721 k = 0.7049-0.9489-1.7259 ( 6298 PWs) bands (ev): -2.7491 -2.7460 -1.6125 -1.6046 -1.2925 -1.2907 -0.7471 -0.7470 -0.6163 -0.6141 -0.4013 -0.3963 3.5888 3.5973 3.8960 3.8973 4.4806 4.4886 4.8802 4.8818 5.1282 5.1384 5.2217 5.2289 5.7104 5.7177 6.0569 6.0621 6.1280 6.1315 6.2723 6.2874 6.6067 6.6175 6.6518 6.6590 6.8104 6.8166 6.9525 6.9534 7.4207 7.4272 7.6383 7.6422 8.0032 8.0082 8.2634 8.2721 10.5505 10.5530 10.6761 10.6788 11.5837 11.5913 11.8704 11.8749 12.8700 12.8841 k = 0.6997-0.9233-1.6809 ( 6296 PWs) bands (ev): -2.8174 -2.8144 -1.6754 -1.6681 -1.3441 -1.3426 -0.7872 -0.7867 -0.6175 -0.6158 -0.4258 -0.4211 3.5953 3.6040 3.9622 3.9635 4.5262 4.5350 4.9364 4.9390 5.1682 5.1772 5.2596 5.2639 5.7451 5.7586 6.0065 6.0189 6.1786 6.1811 6.3385 6.3539 6.6437 6.6549 6.6786 6.6836 6.8545 6.8618 6.9805 6.9830 7.4484 7.4552 7.6859 7.6903 8.0332 8.0372 8.3015 8.3095 10.5204 10.5227 10.6559 10.6583 11.5572 11.5650 11.8604 11.8653 12.8766 12.8914 k = 0.6944-0.8977-1.6359 ( 6290 PWs) bands (ev): -2.8854 -2.8823 -1.7389 -1.7321 -1.3966 -1.3951 -0.8288 -0.8281 -0.6184 -0.6172 -0.4498 -0.4457 3.5959 3.6047 4.0311 4.0324 4.5709 4.5802 4.9930 4.9969 5.2156 5.2230 5.3010 5.3028 5.7663 5.7908 5.9629 5.9859 6.2330 6.2380 6.4064 6.4215 6.6801 6.6933 6.7036 6.7085 6.8985 6.9054 7.0115 7.0169 7.4716 7.4784 7.7312 7.7363 8.0690 8.0722 8.3422 8.3499 10.4918 10.4940 10.6346 10.6368 11.5340 11.5419 11.8525 11.8577 12.8783 12.8935 k = 0.6892-0.8720-1.5909 ( 6284 PWs) bands (ev): -2.9527 -2.9497 -1.8028 -1.7965 -1.4496 -1.4481 -0.8719 -0.8711 -0.6195 -0.6187 -0.4730 -0.4694 3.5907 3.5992 4.1022 4.1034 4.6149 4.6244 5.0507 5.0559 5.2695 5.2754 5.3401 5.3451 5.7694 5.8051 5.9419 5.9743 6.2907 6.2975 6.4754 6.4901 6.7124 6.7244 6.7338 6.7371 6.9387 6.9440 7.0485 7.0579 7.4903 7.4970 7.7750 7.7808 8.1104 8.1128 8.3853 8.3928 10.4647 10.4668 10.6124 10.6143 11.5142 11.5221 11.8464 11.8518 12.8740 12.8894 k = 0.6839-0.8464-1.5459 ( 6286 PWs) bands (ev): -3.0194 -3.0163 -1.8667 -1.8608 -1.5031 -1.5016 -0.9163 -0.9154 -0.6216 -0.6209 -0.4945 -0.4916 3.5800 3.5880 4.1746 4.1757 4.6587 4.6682 5.1093 5.1158 5.3270 5.3319 5.3765 5.3853 5.7581 5.7964 5.9544 5.9870 6.3503 6.3587 6.5451 6.5592 6.7377 6.7449 6.7713 6.7729 6.9725 6.9764 7.0943 7.1073 7.5046 7.5110 7.8186 7.8251 8.1565 8.1582 8.4305 8.4380 10.4391 10.4412 10.5892 10.5909 11.4978 11.5057 11.8415 11.8471 12.8624 12.8774 k = 0.6787-0.8208-1.5009 ( 6286 PWs) bands (ev): -3.0852 -3.0821 -1.9305 -1.9250 -1.5569 -1.5553 -0.9617 -0.9608 -0.6258 -0.6247 -0.5133 -0.5113 3.5642 3.5716 4.2475 4.2485 4.7028 4.7120 5.1676 5.1754 5.3787 5.3872 5.4142 5.4205 5.7480 5.7829 5.9897 6.0177 6.4107 6.4205 6.6147 6.6279 6.7589 6.7636 6.8083 6.8117 7.0006 7.0039 7.1485 7.1641 7.5149 7.5211 7.8632 7.8703 8.2061 8.2072 8.4774 8.4850 10.4151 10.4171 10.5653 10.5668 11.4849 11.4926 11.8373 11.8432 12.8410 12.8550 k = 0.6734-0.7951-1.4558 ( 6286 PWs) bands (ev): -3.1500 -3.1470 -1.9940 -1.9889 -1.6108 -1.6091 -1.0081 -1.0072 -0.6334 -0.6316 -0.5283 -0.5271 3.5439 3.5508 4.3198 4.3207 4.7474 4.7564 5.2226 5.2311 5.4093 5.4290 5.4564 5.4634 5.7556 5.7841 6.0371 6.0605 6.4700 6.4815 6.6821 6.6936 6.7806 6.7829 6.8454 6.8498 7.0262 7.0293 7.2089 7.2262 7.5219 7.5279 7.9096 7.9172 8.2576 8.2584 8.5257 8.5335 10.3928 10.3947 10.5407 10.5422 11.4752 11.4827 11.8333 11.8395 12.8074 12.8198 k = 0.6681-0.7695-1.4108 ( 6280 PWs) bands (ev): -3.2138 -3.2108 -2.0570 -2.0521 -1.6646 -1.6629 -1.0552 -1.0543 -0.6452 -0.6426 -0.5387 -0.5378 3.5200 3.5263 4.3899 4.3909 4.7924 4.8009 5.2671 5.2741 5.4344 5.4546 5.4968 5.5110 5.7907 5.8107 6.0929 6.1126 6.5261 6.5398 6.7381 6.7495 6.8060 6.8152 6.8821 6.8875 7.0524 7.0550 7.2737 7.2919 7.5266 7.5324 7.9584 7.9665 8.3101 8.3105 8.5751 8.5831 10.3722 10.3740 10.5159 10.5174 11.4687 11.4759 11.8291 11.8356 12.7604 12.7713 k = 0.6629-0.7439-1.3658 ( 6272 PWs) bands (ev): -3.2764 -3.2734 -2.1193 -2.1147 -1.7181 -1.7164 -1.1027 -1.1019 -0.6612 -0.6581 -0.5444 -0.5432 3.4931 3.4988 4.4564 4.4575 4.8369 4.8449 5.2915 5.2941 5.4752 5.4891 5.5301 5.5475 5.8526 5.8649 6.1553 6.1723 6.5758 6.5927 6.7679 6.7873 6.8479 6.8678 6.9206 6.9273 7.0814 7.0835 7.3415 7.3603 7.5298 7.5354 8.0098 8.0182 8.3623 8.3627 8.6253 8.6335 10.3534 10.3551 10.4910 10.4927 11.4651 11.4719 11.8242 11.8311 12.7011 12.7111 k = 0.6576-0.7182-1.3208 ( 6270 PWs) bands (ev): -3.3377 -3.3347 -2.1807 -2.1764 -1.7713 -1.7695 -1.1506 -1.1498 -0.6803 -0.6770 -0.5464 -0.5449 3.4640 3.4692 4.5168 4.5182 4.8789 4.8863 5.2969 5.2985 5.5353 5.5421 5.5560 5.5731 5.9341 5.9413 6.2229 6.2380 6.6158 6.6369 6.7848 6.8100 6.8992 6.9212 6.9696 6.9754 7.1145 7.1161 7.4114 7.4307 7.5328 7.5383 8.0637 8.0724 8.4136 8.4139 8.6760 8.6845 10.3365 10.3382 10.4665 10.4684 11.4641 11.4705 11.8184 11.8258 12.6328 12.6425 k = 0.6524-0.6926-1.2758 ( 6262 PWs) bands (ev): -3.3976 -3.3947 -2.2413 -2.2372 -1.8239 -1.8221 -1.1986 -1.1978 -0.7015 -0.6982 -0.5456 -0.5440 3.4332 3.4380 4.5684 4.5700 4.9161 4.9224 5.2992 5.3032 5.5729 5.5908 5.6078 5.6128 6.0283 6.0328 6.2940 6.3081 6.6438 6.6689 6.7991 6.8283 6.9457 6.9647 7.0339 7.0359 7.1516 7.1540 7.4816 7.5010 7.5381 7.5435 8.1200 8.1289 8.4631 8.4636 8.7270 8.7356 10.3215 10.3232 10.4427 10.4450 11.4652 11.4713 11.8114 11.8193 12.5588 12.5686 k = 0.6471-0.6670-1.2308 ( 6258 PWs) bands (ev): -3.4562 -3.4533 -2.3007 -2.2968 -1.8758 -1.8741 -1.2464 -1.2457 -0.7238 -0.7206 -0.5431 -0.5414 3.4014 3.4059 4.6074 4.6091 4.9470 4.9520 5.3134 5.3191 5.5886 5.6055 5.6862 5.6895 6.1305 6.1338 6.3666 6.3804 6.6604 6.6878 6.8130 6.8434 6.9901 7.0065 7.1041 7.1050 7.1929 7.1971 7.5336 7.5371 7.5695 7.5817 8.1782 8.1873 8.5106 8.5112 8.7780 8.7868 10.3086 10.3102 10.4200 10.4227 11.4681 11.4737 11.8031 11.8118 12.4820 12.4921 k = 0.6419-0.6413-1.1858 ( 6258 PWs) bands (ev): -3.5132 -3.5103 -2.3589 -2.3553 -1.9270 -1.9252 -1.2941 -1.2934 -0.7468 -0.7437 -0.5395 -0.5378 3.3689 3.3732 4.6294 4.6312 4.9740 4.9776 5.3436 5.3508 5.6033 5.6194 5.7688 5.7720 6.2372 6.2405 6.4382 6.4528 6.6691 6.6970 6.8258 6.8544 7.0363 7.0507 7.1742 7.1759 7.2392 7.2460 7.5469 7.5479 7.6388 7.6555 8.2379 8.2472 8.5557 8.5564 8.8288 8.8378 10.2975 10.2993 10.3987 10.4019 11.4721 11.4772 11.7935 11.8030 12.4042 12.4148 k = 0.6366-0.6157-1.1408 ( 6256 PWs) bands (ev): -3.5686 -3.5658 -2.4159 -2.4124 -1.9772 -1.9755 -1.3412 -1.3406 -0.7700 -0.7671 -0.5353 -0.5336 3.3363 3.3405 4.6317 4.6336 5.0029 5.0053 5.3865 5.3950 5.6206 5.6360 5.8543 5.8580 6.3447 6.3492 6.5054 6.5219 6.6757 6.7027 6.8375 6.8625 7.0840 7.0969 7.2402 7.2419 7.2932 7.3021 7.5606 7.5623 7.7147 7.7319 8.2984 8.3078 8.5985 8.5992 8.8792 8.8883 10.2883 10.2904 10.3792 10.3830 11.4766 11.4811 11.7828 11.7931 12.3272 12.3384 k = 0.6314-0.5901-1.0958 ( 6258 PWs) bands (ev): -3.6223 -3.6196 -2.4714 -2.4681 -2.0263 -2.0247 -1.3878 -1.3873 -0.7932 -0.7905 -0.5307 -0.5291 3.3039 3.3080 4.6153 4.6173 5.0376 5.0393 5.4339 5.4429 5.6458 5.6603 5.9419 5.9462 6.4458 6.4538 6.5634 6.5830 6.6903 6.7138 6.8503 6.8702 7.1314 7.1432 7.2965 7.2987 7.3582 7.3669 7.5817 7.5843 7.7925 7.8097 8.3590 8.3684 8.6391 8.6399 8.9290 8.9381 10.2809 10.2836 10.3617 10.3663 11.4808 11.4846 11.7709 11.7823 12.2520 12.2639 k = 0.6261-0.5644-1.0508 ( 6250 PWs) bands (ev): -3.6744 -3.6717 -2.5254 -2.5223 -2.0743 -2.0727 -1.4336 -1.4331 -0.8163 -0.8138 -0.5259 -0.5243 3.2720 3.2761 4.5844 4.5866 5.0784 5.0799 5.4763 5.4843 5.6856 5.6979 6.0306 6.0356 6.5209 6.5351 6.6150 6.6356 6.7289 6.7434 6.8686 6.8818 7.1767 7.1881 7.3424 7.3469 7.4312 7.4386 7.6132 7.6172 7.8717 7.8886 8.4184 8.4278 8.6783 8.6793 8.9779 8.9871 10.2750 10.2786 10.3466 10.3521 11.4837 11.4868 11.7583 11.7707 12.1795 12.1921 k = 0.6209-0.5388-1.0057 ( 6246 PWs) bands (ev): -3.7247 -3.7221 -2.5779 -2.5749 -2.1211 -2.1196 -1.4785 -1.4780 -0.8391 -0.8368 -0.5211 -0.5196 3.2408 3.2450 4.5438 4.5462 5.1241 5.1256 5.5075 5.5133 5.7430 5.7523 6.1190 6.1248 6.5495 6.5653 6.6713 6.6879 6.7975 6.8017 6.8994 6.9043 7.2190 7.2305 7.3814 7.3875 7.5082 7.5143 7.6571 7.6624 7.9519 7.9685 8.4752 8.4844 8.7174 8.7183 9.0258 9.0349 10.2707 10.2753 10.3339 10.3405 11.4844 11.4867 11.7451 11.7586 12.1102 12.1236 k = 0.6156-0.5132-0.9607 ( 6240 PWs) bands (ev): -3.7732 -3.7706 -2.6287 -2.6259 -2.1665 -2.1650 -1.5224 -1.5219 -0.8616 -0.8594 -0.5164 -0.5149 3.2105 3.2149 4.4973 4.4999 5.1730 5.1747 5.5281 5.5319 5.8139 5.8203 6.2052 6.2122 6.5508 6.5651 6.7103 6.7258 6.8770 6.8801 6.9523 6.9535 7.2579 7.2699 7.4163 7.4228 7.5879 7.5932 7.7124 7.7190 8.0329 8.0491 8.5276 8.5365 8.7579 8.7587 9.0723 9.0815 10.2677 10.2737 10.3238 10.3317 11.4817 11.4833 11.7316 11.7461 12.0443 12.0585 k = 0.6103-0.4875-0.9157 ( 6238 PWs) bands (ev): -3.8198 -3.8173 -2.6777 -2.6750 -2.2104 -2.2091 -1.5651 -1.5646 -0.8836 -0.8816 -0.5118 -0.5104 3.1813 3.1858 4.4475 4.4503 5.2240 5.2257 5.5424 5.5447 5.8919 5.8963 6.2862 6.2951 6.5442 6.5557 6.7324 6.7478 6.9374 6.9426 7.0432 7.0433 7.2942 7.3063 7.4505 7.4565 7.6704 7.6750 7.7767 7.7841 8.1145 8.1303 8.5737 8.5820 8.8013 8.8023 9.1173 9.1265 10.2662 10.2737 10.3164 10.3257 11.4748 11.4759 11.7182 11.7335 11.9818 11.9966 k = 0.6051-0.4619-0.8707 ( 6236 PWs) bands (ev): -3.8645 -3.8621 -2.7249 -2.7224 -2.2529 -2.2516 -1.6065 -1.6060 -0.9050 -0.9032 -0.5074 -0.5061 3.1534 3.1580 4.3961 4.3991 5.2760 5.2777 5.5539 5.5553 5.9716 5.9752 6.3554 6.3684 6.5401 6.5464 6.7486 6.7626 6.9844 6.9926 7.1509 7.1529 7.3301 7.3416 7.4870 7.4919 7.7553 7.7596 7.8470 7.8550 8.1964 8.2118 8.6124 8.6199 8.8487 8.8502 9.1606 9.1697 10.2661 10.2751 10.3117 10.3223 11.4627 11.4641 11.7048 11.7208 11.9221 11.9374 k = 0.5998-0.4363-0.8257 ( 6238 PWs) bands (ev): -3.9072 -3.9049 -2.7703 -2.7679 -2.2937 -2.2925 -1.6465 -1.6461 -0.9259 -0.9242 -0.5034 -0.5021 3.1268 3.1315 4.3443 4.3474 5.3281 5.3298 5.5650 5.5659 6.0489 6.0528 6.4006 6.4204 6.5478 6.5507 6.7665 6.7778 7.0282 7.0379 7.2523 7.2573 7.3744 7.3836 7.5283 7.5319 7.8424 7.8464 7.9212 7.9296 8.2783 8.2933 8.6437 8.6506 8.8999 8.9023 9.2019 9.2111 10.2677 10.2777 10.3099 10.3214 11.4456 11.4476 11.6913 11.7079 11.8642 11.8800 k = 0.5946-0.4106-0.7807 ( 6232 PWs) bands (ev): -3.9480 -3.9457 -2.8137 -2.8114 -2.3329 -2.3318 -1.6849 -1.6846 -0.9461 -0.9445 -0.4996 -0.4984 3.1015 3.1064 4.2929 4.2962 5.3789 5.3806 5.5778 5.5785 6.1202 6.1256 6.4137 6.4378 6.5726 6.5812 6.7907 6.7983 7.0714 7.0817 7.3233 7.3327 7.4446 7.4498 7.5776 7.5800 7.9308 7.9343 7.9984 8.0070 8.3594 8.3742 8.6690 8.6756 8.9539 8.9572 9.2412 9.2504 10.2707 10.2813 10.3111 10.3230 11.4238 11.4264 11.6768 11.6942 11.8073 11.8237 k = 0.5893-0.3850-0.7357 ( 6234 PWs) bands (ev): -3.9867 -3.9846 -2.8551 -2.8529 -2.3703 -2.3693 -1.7218 -1.7215 -0.9656 -0.9641 -0.4961 -0.4950 3.0778 3.0827 4.2425 4.2459 5.4267 5.4283 5.5946 5.5952 6.1820 6.1895 6.4065 6.4308 6.6101 6.6201 6.8220 6.8254 7.1164 7.1264 7.3663 7.3774 7.5285 7.5324 7.6436 7.6451 8.0190 8.0220 8.0784 8.0871 8.4386 8.4537 8.6905 8.6977 9.0092 9.0132 9.2782 9.2874 10.2752 10.2854 10.3157 10.3272 11.3981 11.4013 11.6599 11.6791 11.7505 11.7685 k = 0.5841-0.3594-0.6907 ( 6226 PWs) bands (ev): -4.0234 -4.0213 -2.8944 -2.8924 -2.4060 -2.4050 -1.7570 -1.7567 -0.9843 -0.9830 -0.4930 -0.4919 3.0554 3.0604 4.1936 4.1971 5.4688 5.4704 5.6179 5.6185 6.2309 6.2413 6.3914 6.4154 6.6487 6.6583 6.8559 6.8562 7.1653 7.1745 7.4025 7.4135 7.5963 7.5999 7.7351 7.7364 8.1056 8.1079 8.1616 8.1705 8.5138 8.5298 8.7116 8.7202 9.0643 9.0688 9.3128 9.3219 10.2808 10.2898 10.3240 10.3340 11.3690 11.3727 11.6379 11.6607 11.6945 11.7157 k = 0.5788-0.3338-0.6457 ( 6208 PWs) bands (ev): -4.0580 -4.0560 -2.9316 -2.9297 -2.4397 -2.4388 -1.7905 -1.7902 -1.0022 -1.0009 -0.4902 -0.4892 3.0346 3.0396 4.1466 4.1501 5.5031 5.5046 5.6501 5.6507 6.2648 6.2785 6.3736 6.3977 6.6873 6.6959 6.8841 6.8873 7.2194 7.2273 7.4415 7.4518 7.6489 7.6521 7.8416 7.8426 8.1899 8.1918 8.2476 8.2570 8.5810 8.5985 8.7380 8.7486 9.1179 9.1227 9.3448 9.3539 10.2874 10.2945 10.3355 10.3435 11.3369 11.3409 11.6058 11.6270 11.6507 11.6701 k = 0.5736-0.3081-0.6007 ( 6204 PWs) bands (ev): -4.0904 -4.0886 -2.9666 -2.9649 -2.4715 -2.4707 -1.8221 -1.8218 -1.0192 -1.0180 -0.4878 -0.4869 3.0153 3.0203 4.1016 4.1053 5.5296 5.5310 5.6907 5.6915 6.2838 6.3001 6.3560 6.3802 6.7264 6.7341 6.9062 6.9116 7.2774 7.2840 7.4873 7.4964 7.6953 7.6981 7.9490 7.9499 8.2735 8.2755 8.3340 8.3443 8.6346 8.6529 8.7784 8.7899 9.1691 9.1741 9.3741 9.3831 10.2947 10.3000 10.3494 10.3554 11.3013 11.3058 11.5613 11.5727 11.6250 11.6346 k = 0.5683-0.2825-0.5556 ( 6210 PWs) bands (ev): -4.1208 -4.1190 -2.9994 -2.9978 -2.5014 -2.5007 -1.8518 -1.8515 -1.0352 -1.0342 -0.4857 -0.4848 2.9974 3.0023 4.0591 4.0627 5.5507 5.5520 5.7372 5.7382 6.2896 6.3062 6.3413 6.3637 6.7648 6.7719 6.9214 6.9283 7.3370 7.3425 7.5413 7.5489 7.7399 7.7425 8.0493 8.0504 8.3589 8.3615 8.4172 8.4288 8.6752 8.6922 8.8366 8.8467 9.2173 9.2223 9.4006 9.4094 10.3028 10.3065 10.3648 10.3691 11.2616 11.2663 11.5112 11.5177 11.5988 11.6037 k = 0.5631-0.2569-0.5106 ( 6216 PWs) bands (ev): -4.1489 -4.1473 -3.0300 -3.0285 -2.5293 -2.5286 -1.8795 -1.8793 -1.0503 -1.0493 -0.4839 -0.4831 2.9811 2.9859 4.0191 4.0227 5.5688 5.5700 5.7868 5.7878 6.2859 6.2984 6.3315 6.3483 6.8002 6.8073 6.9307 6.9386 7.3966 7.4012 7.6014 7.6075 7.7857 7.7879 8.1379 8.1393 8.4474 8.4504 8.4930 8.5049 8.7135 8.7285 8.9051 8.9137 9.2621 9.2670 9.4242 9.4330 10.3117 10.3144 10.3804 10.3836 11.2163 11.2214 11.4625 11.4665 11.5697 11.5727 k = 0.5578-0.2312-0.4656 ( 6212 PWs) bands (ev): -4.1749 -4.1734 -3.0583 -3.0569 -2.5550 -2.5544 -1.9053 -1.9050 -1.0643 -1.0634 -0.4824 -0.4817 2.9661 2.9708 3.9819 3.9854 5.5855 5.5866 5.8373 5.8384 6.2762 6.2837 6.3223 6.3332 6.8309 6.8383 6.9353 6.9438 7.4559 7.4598 7.6622 7.6670 7.8361 7.8381 8.2126 8.2144 8.5281 8.5307 8.5683 8.5729 8.7635 8.7753 8.9771 8.9848 9.3036 9.3083 9.4451 9.4538 10.3213 10.3237 10.3948 10.3976 11.1646 11.1698 11.4189 11.4217 11.5376 11.5397 k = 0.5525-0.2056-0.4206 ( 6216 PWs) bands (ev): -4.1987 -4.1973 -3.0842 -3.0830 -2.5787 -2.5782 -1.9289 -1.9287 -1.0772 -1.0765 -0.4811 -0.4805 2.9527 2.9571 3.9475 3.9509 5.6017 5.6027 5.8873 5.8885 6.2636 6.2675 6.3109 6.3175 6.8558 6.8636 6.9366 6.9455 7.5150 7.5185 7.7171 7.7210 7.8949 7.8969 8.2738 8.2757 8.5704 8.5778 8.6575 8.6621 8.8312 8.8386 9.0488 9.0566 9.3419 9.3464 9.4635 9.4722 10.3314 10.3342 10.4066 10.4095 11.1064 11.1117 11.3820 11.3841 11.5029 11.5048 k = 0.5473-0.1800-0.3756 ( 6206 PWs) bands (ev): -4.2203 -4.2190 -3.1078 -3.1067 -2.6002 -2.5997 -1.9504 -1.9502 -1.0891 -1.0884 -0.4801 -0.4795 2.9406 2.9447 3.9162 3.9194 5.6177 5.6185 5.9358 5.9371 6.2501 6.2517 6.2972 6.3011 6.8749 6.8832 6.9356 6.9446 7.5738 7.5770 7.7619 7.7652 7.9635 7.9655 8.3233 8.3252 8.5914 8.5980 8.7517 8.7596 8.9122 8.9165 9.1183 9.1269 9.3774 9.3819 9.4800 9.4888 10.3417 10.3451 10.4143 10.4178 11.0431 11.0483 11.3518 11.3536 11.4667 11.4684 k = 0.5420-0.1543-0.3306 ( 6208 PWs) bands (ev): -4.2396 -4.2385 -3.1289 -3.1279 -2.6196 -2.6191 -1.9698 -1.9696 -1.0998 -1.0992 -0.4793 -0.4788 2.9299 2.9337 3.8879 3.8909 5.6335 5.6343 5.9820 5.9833 6.2363 6.2373 6.2819 6.2843 6.8889 6.8973 6.9332 6.9423 7.6315 7.6343 7.7969 7.7998 8.0391 8.0412 8.3631 8.3649 8.6019 8.6073 8.8413 8.8508 8.9996 9.0055 9.1843 9.1938 9.4109 9.4158 9.4956 9.5046 10.3512 10.3556 10.4166 10.4209 10.9768 10.9819 11.3272 11.3289 11.4300 11.4316 k = 0.5368-0.1287-0.2856 ( 6218 PWs) bands (ev): -4.2567 -4.2557 -3.1476 -3.1468 -2.6367 -2.6363 -1.9869 -1.9868 -1.1093 -1.1088 -0.4787 -0.4782 2.9205 2.9240 3.8628 3.8655 5.6491 5.6497 6.0249 6.0263 6.2228 6.2248 6.2657 6.2676 6.8984 6.9068 6.9303 6.9390 7.6868 7.6893 7.8245 7.8270 8.1174 8.1195 8.3947 8.3963 8.6065 8.6111 8.9205 8.9305 9.0911 9.0998 9.2450 9.2555 9.4433 9.4491 9.5121 9.5215 10.3586 10.3643 10.4124 10.4179 10.9101 10.9150 11.3073 11.3090 11.3940 11.3955 k = 0.5315-0.1031-0.2406 ( 6218 PWs) bands (ev): -4.2715 -4.2706 -3.1639 -3.1632 -2.6516 -2.6513 -2.0019 -2.0017 -1.1176 -1.1171 -0.4782 -0.4778 2.9125 2.9156 3.8410 3.8434 5.6641 5.6647 6.0640 6.0654 6.2106 6.2135 6.2493 6.2515 6.9043 6.9120 6.9277 6.9355 7.7383 7.7404 7.8465 7.8485 8.1946 8.1968 8.4196 8.4210 8.6078 8.6119 8.9870 8.9963 9.1825 9.1936 9.2987 9.3095 9.4756 9.4829 9.5326 9.5423 10.3618 10.3691 10.4015 10.4085 10.8456 10.8505 11.2912 11.2929 11.3601 11.3614 k = 0.5263-0.0774-0.1956 ( 6230 PWs) bands (ev): -4.2840 -4.2833 -3.1777 -3.1771 -2.6643 -2.6640 -2.0146 -2.0144 -1.1246 -1.1243 -0.4778 -0.4775 2.9058 2.9085 3.8225 3.8246 5.6782 5.6787 6.0985 6.1000 6.1999 6.2037 6.2338 6.2364 6.9076 6.9134 6.9262 6.9322 7.7846 7.7864 7.8640 7.8658 8.2674 8.2697 8.4388 8.4400 8.6069 8.6106 9.0403 9.0481 9.2667 9.2799 9.3437 9.3538 9.5093 9.5182 9.5610 9.5701 10.3580 10.3671 10.3848 10.3934 10.7869 10.7916 11.2784 11.2800 11.3293 11.3304 k = 0.5210-0.0518-0.1506 ( 6230 PWs) bands (ev): -4.2943 -4.2937 -3.1890 -3.1885 -2.6746 -2.6744 -2.0250 -2.0249 -1.1304 -1.1301 -0.4776 -0.4773 2.9005 2.9026 3.8073 3.8090 5.6909 5.6912 6.1276 6.1294 6.1910 6.1954 6.2200 6.2229 6.9089 6.9124 6.9256 6.9293 7.8245 7.8259 7.8780 7.8793 8.3334 8.3357 8.4532 8.4542 8.6043 8.6078 9.0805 9.0866 9.3352 9.3496 9.3793 9.3879 9.5485 9.5582 9.5978 9.6052 10.3455 10.3543 10.3654 10.3736 10.7377 10.7420 11.2683 11.2697 11.3028 11.3037 k = 0.5158-0.0262-0.1055 ( 6232 PWs) bands (ev): -4.3023 -4.3018 -3.1978 -3.1974 -2.6827 -2.6826 -2.0331 -2.0330 -1.1350 -1.1347 -0.4774 -0.4772 2.8963 2.8980 3.7955 3.7968 5.7016 5.7019 6.1507 6.1529 6.1840 6.1889 6.2087 6.2114 6.9090 6.9106 6.9252 6.9271 7.8566 7.8577 7.8888 7.8897 8.3900 8.3923 8.4636 8.4645 8.6005 8.6037 9.1089 9.1132 9.3825 9.3952 9.4064 9.4125 9.5970 9.6054 9.6382 9.6434 10.3263 10.3318 10.3441 10.3492 10.7009 10.7045 11.2606 11.2617 11.2814 11.2821 k = 0.5105-0.0005-0.0605 ( 6244 PWs) bands (ev): -4.3079 -4.3077 -3.2041 -3.2038 -2.6885 -2.6884 -2.0389 -2.0388 -1.1382 -1.1380 -0.4773 -0.4771 2.8935 2.8946 3.7872 3.7881 5.7098 5.7100 6.1662 6.1688 6.1805 6.1851 6.2005 6.2025 6.9085 6.9090 6.9247 6.9256 7.8797 7.8803 7.8970 7.8976 8.4346 8.4365 8.4707 8.4714 8.5958 8.5985 9.1272 9.1299 9.4107 9.4182 9.4267 9.4291 9.6473 9.6528 9.6759 9.6787 10.3058 10.3083 10.3197 10.3223 10.6773 10.6799 11.2549 11.2557 11.2661 11.2665 k = 0.5053 0.0251-0.0155 ( 6246 PWs) bands (ev): -4.3113 -4.3112 -3.2078 -3.2077 -2.6919 -2.6919 -2.0423 -2.0423 -1.1401 -1.1400 -0.4772 -0.4771 2.8919 2.8925 3.7822 3.7827 5.7150 5.7151 6.1718 6.1723 6.1854 6.1868 6.1952 6.1960 6.9080 6.9080 6.9242 6.9247 7.8925 7.8927 7.9035 7.9037 8.4640 8.4648 8.4753 8.4761 8.5916 8.5933 9.1373 9.1386 9.4255 9.4285 9.4386 9.4388 9.6841 9.6862 9.7053 9.7058 10.2897 10.2901 10.2992 10.3004 10.6650 10.6664 11.2507 11.2510 11.2577 11.2578 k = 0.5000 0.0507 0.0295 ( 6256 PWs) bands (ev): -4.3124 -4.3124 -3.2090 -3.2090 -2.6931 -2.6931 -2.0435 -2.0435 -1.1407 -1.1407 -0.4771 -0.4771 2.8916 2.8916 3.7808 3.7808 5.7168 5.7168 6.1720 6.1720 6.1907 6.1907 6.1917 6.1917 6.9077 6.9077 6.9242 6.9242 7.8960 7.8960 7.9065 7.9065 8.4728 8.4728 8.4792 8.4792 8.5903 8.5903 9.1408 9.1408 9.4308 9.4308 9.4422 9.4422 9.6971 9.6971 9.7172 9.7172 10.2829 10.2829 10.2918 10.2918 10.6617 10.6617 11.2489 11.2489 11.2554 11.2554 k = 0.5000 0.0507 0.0295 ( 6256 PWs) bands (ev): -4.3124 -4.3124 -3.2090 -3.2090 -2.6931 -2.6931 -2.0435 -2.0435 -1.1407 -1.1407 -0.4771 -0.4771 2.8916 2.8916 3.7808 3.7808 5.7168 5.7168 6.1720 6.1720 6.1907 6.1907 6.1917 6.1917 6.9077 6.9077 6.9242 6.9242 7.8960 7.8960 7.9065 7.9065 8.4728 8.4728 8.4792 8.4792 8.5903 8.5903 9.1408 9.1408 9.4308 9.4308 9.4422 9.4422 9.6971 9.6971 9.7172 9.7172 10.2829 10.2829 10.2918 10.2918 10.6617 10.6617 11.2489 11.2489 11.2554 11.2554 k = 0.4500 0.0457 0.0265 ( 6259 PWs) bands (ev): -4.3124 -4.3124 -3.2078 -3.2078 -2.6972 -2.6972 -2.0372 -2.0372 -1.1480 -1.1480 -0.4727 -0.4727 2.8858 2.8858 3.7914 3.7914 5.6816 5.6816 6.1720 6.1720 6.1908 6.1908 6.2282 6.2282 6.9077 6.9077 6.9242 6.9242 7.8958 7.8958 7.9062 7.9062 8.4733 8.4733 8.4797 8.4797 8.5609 8.5609 9.1672 9.1672 9.4295 9.4295 9.4409 9.4409 9.6982 9.6982 9.7182 9.7182 10.2829 10.2829 10.2917 10.2917 10.6576 10.6576 11.2489 11.2489 11.2554 11.2554 k = 0.4000 0.0406 0.0236 ( 6247 PWs) bands (ev): -4.3125 -4.3125 -3.2041 -3.2041 -2.7089 -2.7089 -2.0189 -2.0189 -1.1689 -1.1689 -0.4603 -0.4603 2.8696 2.8696 3.8222 3.8222 5.5972 5.5972 6.1720 6.1720 6.1908 6.1908 6.3168 6.3168 6.9078 6.9078 6.9243 6.9243 7.8950 7.8950 7.9055 7.9055 8.4749 8.4749 8.4787 8.4787 8.4878 8.4878 9.2336 9.2336 9.4256 9.4256 9.4370 9.4370 9.7014 9.7014 9.7212 9.7212 10.2829 10.2829 10.2916 10.2916 10.6455 10.6455 11.2490 11.2490 11.2555 11.2555 k = 0.3500 0.0355 0.0206 ( 6232 PWs) bands (ev): -4.3127 -4.3127 -3.1982 -3.1982 -2.7267 -2.7267 -1.9902 -1.9902 -1.2014 -1.2014 -0.4419 -0.4419 2.8458 2.8458 3.8703 3.8703 5.4917 5.4917 6.1720 6.1720 6.1908 6.1908 6.4295 6.4295 6.9079 6.9079 6.9245 6.9245 7.8939 7.8939 7.9044 7.9044 8.3835 8.3835 8.4774 8.4774 8.4842 8.4842 9.3194 9.3194 9.4198 9.4198 9.4312 9.4312 9.7061 9.7061 9.7258 9.7258 10.2829 10.2830 10.2914 10.2914 10.6257 10.6257 11.2491 11.2491 11.2556 11.2556 k = 0.3000 0.0304 0.0177 ( 6214 PWs) bands (ev): -4.3129 -4.3129 -3.1903 -3.1903 -2.7485 -2.7485 -1.9529 -1.9529 -1.2430 -1.2430 -0.4202 -0.4202 2.8179 2.8179 3.9318 3.9318 5.3790 5.3790 6.1720 6.1720 6.1907 6.1907 6.5524 6.5524 6.9081 6.9081 6.9246 6.9246 7.8925 7.8925 7.9030 7.9030 8.2690 8.2690 8.4805 8.4805 8.4872 8.4872 9.4049 9.4049 9.4194 9.4194 9.4241 9.4241 9.7120 9.7120 9.7313 9.7313 10.2829 10.2830 10.2910 10.2910 10.5993 10.5993 11.2492 11.2492 11.2557 11.2557 k = 0.2500 0.0254 0.0147 ( 6222 PWs) bands (ev): -4.3131 -4.3131 -3.1809 -3.1809 -2.7722 -2.7722 -1.9092 -1.9092 -1.2911 -1.2911 -0.3976 -0.3976 2.7890 2.7890 4.0029 4.0029 5.2654 5.2654 6.1720 6.1720 6.1907 6.1907 6.6795 6.6795 6.9082 6.9082 6.9248 6.9248 7.8910 7.8910 7.9015 7.9015 8.1480 8.1480 8.4839 8.4839 8.4907 8.4907 9.4034 9.4034 9.4164 9.4165 9.5047 9.5047 9.7182 9.7182 9.7371 9.7372 10.2829 10.2830 10.2904 10.2904 10.5676 10.5676 11.2494 11.2494 11.2558 11.2559 k = 0.2000 0.0203 0.0118 ( 6228 PWs) bands (ev): -4.3133 -4.3133 -3.1707 -3.1707 -2.7957 -2.7957 -1.8610 -1.8610 -1.3433 -1.3433 -0.3764 -0.3764 2.7620 2.7620 4.0796 4.0796 5.1550 5.1550 6.1720 6.1720 6.1907 6.1907 6.8072 6.8072 6.9084 6.9084 6.9250 6.9250 7.8895 7.8895 7.8999 7.8999 8.0248 8.0248 8.4873 8.4874 8.4942 8.4942 9.3960 9.3960 9.4090 9.4090 9.5905 9.5905 9.7246 9.7246 9.7427 9.7427 10.2829 10.2830 10.2894 10.2894 10.5326 10.5326 11.2495 11.2495 11.2560 11.2560 k = 0.1500 0.0152 0.0088 ( 6228 PWs) bands (ev): -4.3135 -4.3135 -3.1606 -3.1606 -2.8171 -2.8171 -1.8105 -1.8105 -1.3971 -1.3971 -0.3582 -0.3582 2.7389 2.7389 4.1570 4.1570 5.0522 5.0522 6.1720 6.1720 6.1907 6.1907 6.9086 6.9086 6.9249 6.9249 6.9317 6.9317 7.8880 7.8880 7.8986 7.8986 7.9038 7.9038 8.4905 8.4905 8.4974 8.4974 9.3893 9.3893 9.4025 9.4025 9.6654 9.6654 9.7315 9.7315 9.7476 9.7476 10.2829 10.2830 10.2881 10.2881 10.4974 10.4974 11.2497 11.2497 11.2561 11.2561 k = 0.1000 0.0101 0.0059 ( 6231 PWs) bands (ev): -4.3137 -4.3137 -3.1519 -3.1519 -2.8344 -2.8344 -1.7611 -1.7611 -1.4490 -1.4490 -0.3443 -0.3443 2.7214 2.7214 4.2283 4.2283 4.9632 4.9632 6.1719 6.1719 6.1907 6.1907 6.9087 6.9087 6.9253 6.9253 7.0463 7.0463 7.7909 7.7909 7.8871 7.8871 7.8975 7.8975 8.4929 8.4929 8.4999 8.4999 9.3841 9.3841 9.3974 9.3974 9.7162 9.7162 9.7467 9.7467 9.7513 9.7513 10.2829 10.2830 10.2864 10.2864 10.4661 10.4661 11.2498 11.2498 11.2562 11.2562 k = 0.0500 0.0051 0.0029 ( 6225 PWs) bands (ev): -4.3138 -4.3138 -3.1459 -3.1459 -2.8457 -2.8457 -1.7193 -1.7193 -1.4923 -1.4923 -0.3356 -0.3356 2.7104 2.7104 4.2820 4.2820 4.8991 4.8991 6.1719 6.1719 6.1907 6.1907 6.9088 6.9088 6.9254 6.9254 7.1373 7.1373 7.7011 7.7011 7.8864 7.8864 7.8968 7.8968 8.4945 8.4945 8.5016 8.5016 9.3808 9.3808 9.3942 9.3942 9.7287 9.7287 9.7537 9.7537 9.7779 9.7779 10.2829 10.2830 10.2846 10.2846 10.4442 10.4442 11.2499 11.2499 11.2563 11.2563 k = 0.0000 0.0000 0.0000 ( 6219 PWs) bands (ev): -4.3138 -4.3138 -3.1437 -3.1437 -2.8496 -2.8496 -1.7010 -1.7010 -1.5112 -1.5112 -0.3326 -0.3326 2.7067 2.7067 4.3028 4.3028 4.8748 4.8748 6.1719 6.1719 6.1907 6.1907 6.9088 6.9088 6.9254 6.9254 7.1751 7.1751 7.6637 7.6637 7.8861 7.8861 7.8966 7.8966 8.4951 8.4951 8.5021 8.5021 9.3797 9.3797 9.3931 9.3931 9.7307 9.7307 9.7545 9.7545 9.7914 9.7914 10.2830 10.2830 10.2838 10.2838 10.4362 10.4362 11.2499 11.2499 11.2563 11.2563 k = 0.0000 0.0000 0.0000 ( 6219 PWs) bands (ev): -4.3138 -4.3138 -3.1437 -3.1437 -2.8496 -2.8496 -1.7010 -1.7010 -1.5112 -1.5112 -0.3326 -0.3326 2.7067 2.7067 4.3028 4.3028 4.8748 4.8748 6.1719 6.1719 6.1907 6.1907 6.9088 6.9088 6.9254 6.9254 7.1751 7.1751 7.6637 7.6637 7.8861 7.8861 7.8966 7.8966 8.4951 8.4951 8.5021 8.5021 9.3797 9.3797 9.3931 9.3931 9.7307 9.7307 9.7545 9.7545 9.7914 9.7914 10.2830 10.2830 10.2838 10.2838 10.4362 10.4362 11.2499 11.2499 11.2563 11.2563 k = 0.0052-0.0255-0.0448 ( 6217 PWs) bands (ev): -4.3128 -4.3126 -3.1427 -3.1425 -2.8483 -2.8483 -1.7002 -1.6998 -1.5105 -1.5101 -0.3328 -0.3328 2.7077 2.7080 4.3040 4.3041 4.8740 4.8742 6.1727 6.1727 6.1913 6.1916 6.9051 6.9052 6.9229 6.9231 7.1751 7.1751 7.6635 7.6642 7.8839 7.8845 7.8946 7.8946 8.4907 8.4909 8.4992 8.4993 9.3728 9.3732 9.3876 9.3876 9.7192 9.7208 9.7431 9.7432 9.7884 9.7893 10.2875 10.2899 10.2926 10.2933 10.4394 10.4425 11.2516 11.2518 11.2585 11.2586 k = 0.0105-0.0510-0.0895 ( 6221 PWs) bands (ev): -4.3094 -4.3091 -3.1392 -3.1389 -2.8444 -2.8444 -1.6977 -1.6969 -1.5082 -1.5073 -0.3334 -0.3332 2.7111 2.7117 4.3075 4.3077 4.8718 4.8723 6.1749 6.1752 6.1935 6.1941 6.8896 6.8899 6.9208 6.9212 7.1746 7.1746 7.6629 7.6643 7.8777 7.8792 7.8891 7.8893 8.4742 8.4749 8.4939 8.4942 9.3488 9.3493 9.3746 9.3747 9.6854 9.6882 9.7150 9.7159 9.7815 9.7826 10.2996 10.3063 10.3137 10.3160 10.4550 10.4607 11.2551 11.2557 11.2668 11.2672 k = 0.0157-0.0765-0.1343 ( 6219 PWs) bands (ev): -4.3038 -4.3034 -3.1335 -3.1330 -2.8379 -2.8378 -1.6933 -1.6920 -1.5040 -1.5028 -0.3343 -0.3341 2.7167 2.7177 4.3135 4.3138 4.8684 4.8690 6.1782 6.1793 6.1969 6.1982 6.8617 6.8621 6.9213 6.9220 7.1726 7.1727 7.6595 7.6615 7.8686 7.8710 7.8811 7.8815 8.4463 8.4476 8.4867 8.4873 9.3060 9.3066 9.3548 9.3552 9.6333 9.6368 9.6787 9.6808 9.7708 9.7720 10.3127 10.3231 10.3375 10.3428 10.4888 10.4958 11.2598 11.2608 11.2821 11.2828 k = 0.0209-0.1020-0.1791 ( 6219 PWs) bands (ev): -4.2959 -4.2953 -3.1254 -3.1247 -2.8288 -2.8286 -1.6870 -1.6854 -1.4982 -1.4965 -0.3356 -0.3353 2.7247 2.7261 4.3218 4.3222 4.8638 4.8646 6.1825 6.1850 6.2013 6.2041 6.8248 6.8253 6.9229 6.9238 7.1680 7.1682 7.6496 7.6523 7.8589 7.8623 7.8708 7.8713 8.4095 8.4113 8.4766 8.4774 9.2463 9.2469 9.3255 9.3263 9.5714 9.5759 9.6386 9.6419 9.7558 9.7570 10.3198 10.3302 10.3635 10.3695 10.5407 10.5475 11.2665 11.2678 11.3034 11.3043 k = 0.0261-0.1275-0.2238 ( 6219 PWs) bands (ev): -4.2857 -4.2850 -3.1150 -3.1141 -2.8170 -2.8169 -1.6790 -1.6770 -1.4906 -1.4885 -0.3372 -0.3368 2.7350 2.7366 4.3325 4.3330 4.8581 4.8592 6.1873 6.1924 6.2063 6.2118 6.7817 6.7822 6.9249 6.9260 7.1600 7.1604 7.6298 7.6331 7.8501 7.8544 7.8587 7.8606 8.3661 8.3685 8.4628 8.4638 9.1720 9.1727 9.2847 9.2861 9.5055 9.5107 9.5986 9.6026 9.7357 9.7369 10.3201 10.3288 10.3893 10.3948 10.6042 10.6106 11.2759 11.2775 11.3299 11.3309 k = 0.0314-0.1530-0.2686 ( 6221 PWs) bands (ev): -4.2733 -4.2724 -3.1022 -3.1012 -2.8027 -2.8025 -1.6691 -1.6667 -1.4813 -1.4788 -0.3392 -0.3387 2.7475 2.7494 4.3455 4.3460 4.8517 4.8529 6.1921 6.2009 6.2115 6.2211 6.7343 6.7347 6.9264 6.9279 7.1480 7.1486 7.5986 7.6023 7.8369 7.8401 7.8519 7.8558 8.3187 8.3217 8.4448 8.4460 9.0855 9.0865 9.2315 9.2336 9.4379 9.4434 9.5614 9.5656 9.7099 9.7111 10.3158 10.3230 10.4122 10.4172 10.6736 10.6796 11.2885 11.2904 11.3605 11.3617 k = 0.0366-0.1785-0.3134 ( 6215 PWs) bands (ev): -4.2586 -4.2576 -3.0872 -3.0860 -2.7859 -2.7857 -1.6575 -1.6548 -1.4704 -1.4674 -0.3416 -0.3410 2.7621 2.7644 4.3609 4.3614 4.8446 4.8461 6.1961 6.2094 6.2175 6.2320 6.6844 6.6848 6.9268 6.9285 7.1312 7.1321 7.5571 7.5610 7.8173 7.8200 7.8499 7.8547 8.2700 8.2738 8.4220 8.4233 8.9901 8.9915 9.1672 9.1699 9.3690 9.3742 9.5277 9.5314 9.6781 9.6796 10.3091 10.3150 10.4310 10.4355 10.7455 10.7512 11.3049 11.3069 11.3942 11.3955 k = 0.0418-0.2039-0.3581 ( 6211 PWs) bands (ev): -4.2417 -4.2406 -3.0699 -3.0685 -2.7665 -2.7663 -1.6442 -1.6411 -1.4577 -1.4544 -0.3443 -0.3437 2.7789 2.7814 4.3784 4.3791 4.8371 4.8388 6.1984 6.2140 6.2269 6.2445 6.6339 6.6346 6.9250 6.9269 7.1093 7.1106 7.5076 7.5117 7.7932 7.7957 7.8474 7.8531 8.2228 8.2274 8.3936 8.3951 8.8888 8.8908 9.0938 9.0970 9.2985 9.3030 9.4963 9.4993 9.6406 9.6426 10.3015 10.3064 10.4452 10.4493 10.8179 10.8235 11.3256 11.3277 11.4298 11.4312 k = 0.0470-0.2294-0.4029 ( 6211 PWs) bands (ev): -4.2225 -4.2213 -3.0503 -3.0488 -2.7447 -2.7444 -1.6292 -1.6257 -1.4434 -1.4397 -0.3475 -0.3468 2.7977 2.8005 4.3982 4.3989 4.8294 4.8312 6.1975 6.2132 6.2394 6.2584 6.5845 6.5862 6.9193 6.9215 7.0819 7.0835 7.4534 7.4577 7.7644 7.7668 7.8414 7.8478 8.1793 8.1846 8.3592 8.3608 8.7846 8.7873 9.0138 9.0173 9.2260 9.2299 9.4654 9.4674 9.5981 9.6009 10.2941 10.2981 10.4548 10.4584 10.8893 10.8949 11.3510 11.3532 11.4661 11.4675 k = 0.0523-0.2549-0.4477 ( 6205 PWs) bands (ev): -4.2011 -4.1998 -3.0285 -3.0268 -2.7204 -2.7201 -1.6126 -1.6088 -1.4275 -1.4234 -0.3510 -0.3503 2.8185 2.8215 4.4201 4.4208 4.8217 4.8237 6.1916 6.2066 6.2533 6.2734 6.5385 6.5417 6.9078 6.9103 7.0486 7.0507 7.3978 7.4024 7.7308 7.7332 7.8298 7.8369 8.1401 8.1460 8.3187 8.3203 8.6807 8.6843 8.9292 8.9329 9.1518 9.1550 9.4325 9.4334 9.5521 9.5561 10.2875 10.2908 10.4602 10.4634 10.9587 10.9641 11.3815 11.3838 11.5020 11.5035 k = 0.0575-0.2804-0.4924 ( 6211 PWs) bands (ev): -4.1776 -4.1761 -3.0044 -3.0026 -2.6936 -2.6934 -1.5944 -1.5902 -1.4100 -1.4055 -0.3550 -0.3542 2.8412 2.8444 4.4441 4.4447 4.8142 4.8164 6.1788 6.1923 6.2680 6.2893 6.4980 6.5034 6.8881 6.8906 7.0094 7.0118 7.3447 7.3496 7.6924 7.6948 7.8117 7.8191 8.1031 8.1087 8.2734 8.2751 8.5801 8.5849 8.8415 8.8454 9.0762 9.0791 9.3943 9.3952 9.5051 9.5104 10.2823 10.2851 10.4620 10.4649 11.0248 11.0301 11.4174 11.4201 11.5368 11.5384 k = 0.0627-0.3059-0.5372 ( 6217 PWs) bands (ev): -4.1518 -4.1502 -2.9782 -2.9762 -2.6646 -2.6643 -1.5747 -1.5702 -1.3910 -1.3861 -0.3594 -0.3585 2.8656 2.8691 4.4700 4.4706 4.8071 4.8095 6.1573 6.1686 6.2829 6.3054 6.4649 6.4730 6.8576 6.8599 6.9643 6.9670 7.2980 7.3031 7.6495 7.6519 7.7869 7.7944 8.0617 8.0663 8.2273 8.2294 8.4857 8.4920 8.7523 8.7565 8.9999 9.0029 9.3478 9.3497 9.4601 9.4667 10.2788 10.2811 10.4608 10.4635 11.0869 11.0920 11.4587 11.4621 11.5697 11.5718 k = 0.0679-0.3314-0.5820 ( 6219 PWs) bands (ev): -4.1239 -4.1222 -2.9497 -2.9476 -2.6331 -2.6329 -1.5535 -1.5487 -1.3703 -1.3651 -0.3642 -0.3632 2.8918 2.8954 4.4978 4.4983 4.8004 4.8030 6.1266 6.1356 6.2970 6.3207 6.4394 6.4502 6.8153 6.8172 6.9138 6.9168 7.2602 7.2656 7.6026 7.6051 7.7551 7.7623 8.0079 8.0110 8.1867 8.1892 8.3990 8.4071 8.6627 8.6673 8.9239 8.9271 9.2926 9.2949 9.4190 9.4263 10.2769 10.2790 10.4574 10.4601 11.1442 11.1491 11.5045 11.5095 11.6006 11.6036 k = 0.0732-0.3569-0.6267 ( 6217 PWs) bands (ev): -4.0938 -4.0920 -2.9192 -2.9169 -2.5995 -2.5993 -1.5309 -1.5258 -1.3482 -1.3427 -0.3694 -0.3684 2.9195 2.9232 4.5272 4.5277 4.7943 4.7971 6.0881 6.0949 6.3085 6.3322 6.4216 6.4331 6.7616 6.7631 6.8595 6.8634 7.2320 7.2377 7.5520 7.5547 7.7144 7.7207 7.9403 7.9428 8.1539 8.1558 8.3200 8.3304 8.5741 8.5793 8.8492 8.8526 9.2297 9.2318 9.3813 9.3887 10.2767 10.2786 10.4523 10.4551 11.1965 11.2011 11.5531 11.5615 11.6292 11.6350 k = 0.0784-0.3824-0.6715 ( 6213 PWs) bands (ev): -4.0616 -4.0597 -2.8865 -2.8841 -2.5636 -2.5634 -1.5070 -1.5017 -1.3246 -1.3188 -0.3750 -0.3739 2.9487 2.9525 4.5582 4.5585 4.7889 4.7918 6.0437 6.0490 6.3129 6.3328 6.4133 6.4206 6.6983 6.6999 6.8048 6.8106 7.2115 7.2176 7.4978 7.5007 7.6599 7.6650 7.8680 7.8716 8.1234 8.1236 8.2481 8.2611 8.4881 8.4939 8.7771 8.7807 9.1612 9.1629 9.3453 9.3527 10.2777 10.2796 10.4462 10.4491 11.2437 11.2478 11.6001 11.6158 11.6566 11.6691 k = 0.0836-0.4079-0.7163 ( 6223 PWs) bands (ev): -4.0274 -4.0253 -2.8518 -2.8493 -2.5256 -2.5255 -1.4819 -1.4763 -1.2996 -1.2935 -0.3810 -0.3799 2.9792 2.9831 4.5905 4.5907 4.7841 4.7871 5.9959 6.0000 6.3022 6.3138 6.4148 6.4176 6.6279 6.6299 6.7548 6.7637 7.1959 7.2026 7.4398 7.4429 7.5868 7.5902 7.8029 7.8083 8.0854 8.0877 8.1830 8.1984 8.4063 8.4128 8.7091 8.7127 9.0891 9.0903 9.3096 9.3168 10.2798 10.2817 10.4395 10.4427 11.2859 11.2894 11.6393 11.6641 11.6899 11.7113 k = 0.0888-0.4334-0.7610 ( 6227 PWs) bands (ev): -3.9910 -3.9889 -2.8150 -2.8124 -2.4855 -2.4854 -1.4556 -1.4498 -1.2732 -1.2668 -0.3873 -0.3862 3.0109 3.0149 4.6238 4.6239 4.7799 4.7830 5.9464 5.9498 6.2691 6.2742 6.4179 6.4298 6.5528 6.5553 6.7143 6.7272 7.1824 7.1897 7.3772 7.3804 7.4963 7.4986 7.7490 7.7558 8.0365 8.0401 8.1255 8.1409 8.3303 8.3373 8.6467 8.6501 9.0151 9.0157 9.2734 9.2806 10.2824 10.2845 10.4328 10.4362 11.3230 11.3259 11.6686 11.6926 11.7422 11.7628 k = 0.0941-0.4589-0.8058 ( 6229 PWs) bands (ev): -3.9526 -3.9504 -2.7763 -2.7735 -2.4435 -2.4433 -1.4282 -1.4223 -1.2455 -1.2388 -0.3940 -0.3928 3.0437 3.0477 4.6577 4.6579 4.7762 4.7794 5.8965 5.8994 6.2149 6.2173 6.4249 6.4413 6.4762 6.4808 6.6860 6.7032 7.1679 7.1759 7.3075 7.3106 7.3982 7.3999 7.7024 7.7100 7.9765 7.9802 8.0736 8.0855 8.2603 8.2672 8.5911 8.5942 8.9407 8.9407 9.2363 9.2434 10.2853 10.2874 10.4263 10.4299 11.3547 11.3570 11.6917 11.7137 11.8007 11.8193 k = 0.0993-0.4844-0.8506 ( 6233 PWs) bands (ev): -3.9122 -3.9099 -2.7356 -2.7327 -2.3995 -2.3993 -1.3999 -1.3938 -1.2164 -1.2096 -0.4010 -0.3997 3.0774 3.0814 4.6916 4.6920 4.7731 4.7762 5.8471 5.8498 6.1451 6.1467 6.3866 6.3908 6.4449 6.4659 6.6690 6.6902 7.1477 7.1560 7.2251 7.2284 7.3076 7.3090 7.6580 7.6661 7.9076 7.9125 8.0238 8.0306 8.1946 8.2011 8.5423 8.5454 8.8669 8.8674 9.1982 9.2053 10.2879 10.2901 10.4205 10.4243 11.3809 11.3824 11.7119 11.7328 11.8603 11.8780 k = 0.1045-0.5099-0.8953 ( 6241 PWs) bands (ev): -3.8699 -3.8675 -2.6930 -2.6900 -2.3538 -2.3535 -1.3707 -1.3645 -1.1862 -1.1792 -0.4083 -0.4070 3.1119 3.1159 4.7239 4.7251 4.7711 4.7741 5.7987 5.8013 6.0654 6.0670 6.3059 6.3097 6.4542 6.4784 6.6606 6.6852 7.1009 7.1050 7.1415 7.1504 7.2362 7.2389 7.6125 7.6211 7.8327 7.8395 7.9752 7.9779 8.1304 8.1363 8.4992 8.5027 8.7959 8.7971 9.1589 9.1661 10.2901 10.2923 10.4155 10.4194 11.4012 11.4022 11.7310 11.7509 11.9207 11.9379 k = 0.1098-0.5354-0.9401 ( 6237 PWs) bands (ev): -3.8256 -3.8231 -2.6486 -2.6454 -2.3063 -2.3060 -1.3406 -1.3344 -1.1548 -1.1477 -0.4157 -0.4144 3.1470 3.1510 4.7465 4.7507 4.7759 4.7801 5.7516 5.7543 5.9803 5.9820 6.2234 6.2275 6.4627 6.4882 6.6576 6.6848 7.0005 7.0020 7.0865 7.0969 7.1863 7.1914 7.5640 7.5729 7.7542 7.7625 7.9264 7.9313 8.0661 8.0716 8.4590 8.4632 8.7300 8.7316 9.1186 9.1258 10.2916 10.2937 10.4116 10.4154 11.4158 11.4167 11.7496 11.7685 11.9824 11.9991 k = 0.1150-0.5609-0.9849 ( 6241 PWs) bands (ev): -3.7794 -3.7768 -2.6024 -2.5990 -2.2571 -2.2567 -1.3098 -1.3037 -1.1224 -1.1152 -0.4233 -0.4219 3.1825 3.1865 4.7486 4.7536 4.8004 4.8048 5.7055 5.7086 5.8937 5.8954 6.1417 6.1464 6.4660 6.4910 6.6574 6.6856 6.8913 6.8923 7.0255 7.0351 7.1519 7.1590 7.5117 7.5209 7.6738 7.6831 7.8793 7.8888 8.0017 8.0074 8.4181 8.4230 8.6715 8.6734 9.0774 9.0847 10.2923 10.2942 10.4087 10.4124 11.4253 11.4268 11.7679 11.7856 12.0461 12.0623 k = 0.1202-0.5864-1.0296 ( 6249 PWs) bands (ev): -3.7313 -3.7287 -2.5544 -2.5510 -2.2065 -2.2060 -1.2784 -1.2723 -1.0890 -1.0818 -0.4310 -0.4296 3.2184 3.2223 4.7417 4.7464 4.8304 4.8350 5.6592 5.6631 5.8089 5.8111 6.0623 6.0678 6.4592 6.4811 6.6562 6.6805 6.7894 6.7932 6.9605 6.9699 7.1225 7.1310 7.4555 7.4651 7.5926 7.6024 7.8326 7.8471 7.9390 7.9464 8.3736 8.3787 8.6222 8.6241 9.0354 9.0428 10.2922 10.2940 10.4070 10.4104 11.4311 11.4333 11.7860 11.8023 12.1125 12.1279 k = 0.1254-0.6118-1.0744 ( 6259 PWs) bands (ev): -3.6815 -3.6788 -2.5048 -2.5012 -2.1544 -2.1538 -1.2465 -1.2405 -1.0548 -1.0475 -0.4386 -0.4372 3.2543 3.2582 4.7302 4.7346 4.8590 4.8642 5.6099 5.6157 5.7299 5.7339 5.9867 5.9933 6.4336 6.4488 6.6424 6.6454 6.7129 6.7357 6.8982 6.9094 7.0929 7.1022 7.3961 7.4061 7.5118 7.5216 7.7819 7.8007 7.8826 7.8924 8.3242 8.3291 8.5823 8.5837 8.9929 9.0003 10.2916 10.2933 10.4064 10.4095 11.4346 11.4374 11.8035 11.8184 12.1818 12.1965 k = 0.1307-0.6373-1.1192 ( 6269 PWs) bands (ev): -3.6299 -3.6272 -2.4536 -2.4499 -2.1010 -2.1004 -1.2141 -1.2082 -1.0198 -1.0126 -0.4461 -0.4448 3.2900 3.2940 4.7137 4.7179 4.8845 4.8904 5.5532 5.5616 5.6625 5.6698 5.9166 5.9248 6.3783 6.3858 6.5831 6.5950 6.6870 6.7228 6.8441 6.8603 7.0613 7.0710 7.3344 7.3446 7.4322 7.4416 7.7242 7.7446 7.8370 7.8473 8.2709 8.2753 8.5497 8.5507 8.9500 8.9575 10.2907 10.2922 10.4069 10.4097 11.4370 11.4404 11.8200 11.8336 12.2539 12.2679 k = 0.1359-0.6628-1.1640 ( 6277 PWs) bands (ev): -3.5766 -3.5738 -2.4009 -2.3970 -2.0465 -2.0457 -1.1813 -1.1756 -0.9843 -0.9773 -0.4534 -0.4521 3.3254 3.3295 4.6912 4.6950 4.9056 4.9124 5.4879 5.4985 5.6104 5.6206 5.8538 5.8642 6.2943 6.2972 6.5245 6.5358 6.6813 6.7186 6.8036 6.8267 7.0275 7.0370 7.2713 7.2813 7.3545 7.3631 7.6602 7.6800 7.7997 7.8087 8.2160 8.2198 8.5213 8.5223 8.9071 8.9147 10.2899 10.2914 10.4086 10.4111 11.4396 11.4436 11.8355 11.8478 12.3285 12.3419 k = 0.1411-0.6883-1.2087 ( 6277 PWs) bands (ev): -3.5217 -3.5189 -2.3467 -2.3426 -1.9909 -1.9901 -1.1482 -1.1427 -0.9485 -0.9416 -0.4603 -0.4590 3.3602 3.3643 4.6618 4.6651 4.9208 4.9287 5.4190 5.4306 5.5699 5.5823 5.8000 5.8132 6.1943 6.1959 6.4653 6.4724 6.6765 6.7128 6.7778 6.8078 6.9921 7.0008 7.2073 7.2164 7.2797 7.2869 7.5925 7.6114 7.7651 7.7730 8.1618 8.1650 8.4948 8.4960 8.8644 8.8720 10.2896 10.2911 10.4114 10.4136 11.4432 11.4477 11.8495 11.8607 12.4049 12.4179 k = 0.1463-0.7138-1.2535 ( 6279 PWs) bands (ev): -3.4652 -3.4623 -2.2912 -2.2869 -1.9344 -1.9335 -1.1148 -1.1096 -0.9125 -0.9058 -0.4667 -0.4654 3.3940 3.3984 4.6245 4.6273 4.9285 4.9376 5.3517 5.3639 5.5358 5.5502 5.7563 5.7730 6.0884 6.0903 6.4014 6.4057 6.6682 6.7025 6.7634 6.7993 6.9564 6.9640 7.1425 7.1498 7.2092 7.2141 7.5232 7.5414 7.7298 7.7368 8.1102 8.1128 8.4684 8.4698 8.8220 8.8295 10.2904 10.2920 10.4156 10.4175 11.4485 11.4535 11.8620 11.8722 12.4821 12.4949 k = 0.1516-0.7393-1.2983 ( 6281 PWs) bands (ev): -3.4072 -3.4043 -2.2343 -2.2299 -1.8773 -1.8763 -1.0812 -1.0763 -0.8766 -0.8702 -0.4722 -0.4711 3.4266 3.4313 4.5793 4.5815 4.9270 4.9371 5.2895 5.3020 5.5057 5.5217 5.7229 5.7432 5.9818 5.9841 6.3343 6.3392 6.6539 6.6848 6.7562 6.7964 6.9210 6.9298 7.0765 7.0813 7.1439 7.1462 7.4535 7.4711 7.6917 7.6982 8.0621 8.0644 8.4409 8.4425 8.7801 8.7875 10.2928 10.2945 10.4210 10.4228 11.4562 11.4615 11.8728 11.8821 12.5591 12.5719 k = 0.1568-0.7648-1.3430 ( 6287 PWs) bands (ev): -3.3477 -3.3448 -2.1763 -2.1717 -1.8195 -1.8185 -1.0474 -1.0429 -0.8412 -0.8351 -0.4768 -0.4758 3.4576 3.4626 4.5265 4.5282 4.9144 4.9251 5.2353 5.2476 5.4785 5.4957 5.6982 5.7221 5.8772 5.8799 6.2682 6.2754 6.6314 6.6573 6.7529 6.7959 6.8867 6.9003 7.0092 7.0123 7.0834 7.0848 7.3840 7.4013 7.6500 7.6563 8.0180 8.0199 8.4118 8.4133 8.7387 8.7459 10.2974 10.2992 10.4280 10.4296 11.4664 11.4721 11.8818 11.8903 12.6341 12.6471 k = 0.1620-0.7903-1.3878 ( 6281 PWs) bands (ev): -3.2869 -3.2839 -2.1173 -2.1124 -1.7614 -1.7603 -1.0136 -1.0094 -0.8067 -0.8009 -0.4800 -0.4792 3.4866 3.4921 4.4672 4.4683 4.8892 4.9001 5.1909 5.2024 5.4532 5.4710 5.6789 5.7055 5.7776 5.7801 6.2071 6.2168 6.5996 6.6203 6.7510 6.7950 6.8544 6.8736 6.9425 6.9458 7.0276 7.0297 7.3154 7.3324 7.6049 7.6110 7.9774 7.9792 8.3807 8.3822 8.6977 8.7047 10.3046 10.3065 10.4366 10.4380 11.4793 11.4854 11.8888 11.8967 12.7053 12.7186 k = 0.1672-0.8158-1.4326 ( 6271 PWs) bands (ev): -3.2248 -3.2218 -2.0573 -2.0522 -1.7031 -1.7019 -0.9796 -0.9758 -0.7735 -0.7682 -0.4814 -0.4808 3.5132 3.5192 4.4025 4.4034 4.8519 4.8622 5.1564 5.1663 5.4285 5.4457 5.6530 5.6647 5.6960 5.7105 6.1536 6.1657 6.5594 6.5763 6.7468 6.7889 6.8224 6.8394 6.8831 6.8920 6.9779 6.9797 7.2481 7.2647 7.5569 7.5631 7.9393 7.9410 8.3477 8.3491 8.6569 8.6638 10.3149 10.3170 10.4468 10.4483 11.4951 11.5014 11.8938 11.9012 12.7701 12.7839 k = 0.1725-0.8413-1.4773 ( 6281 PWs) bands (ev): -3.1616 -3.1586 -1.9965 -1.9911 -1.6448 -1.6435 -0.9457 -0.9422 -0.7423 -0.7377 -0.4806 -0.4800 3.5369 3.5435 4.3341 4.3349 4.8047 4.8143 5.1294 5.1373 5.4016 5.4168 5.5786 5.5817 5.6670 5.6962 6.1092 6.1234 6.5134 6.5282 6.7323 6.7573 6.7906 6.7992 6.8409 6.8614 6.9351 6.9354 7.1826 7.1988 7.5071 7.5133 7.9027 7.9044 8.3130 8.3144 8.6163 8.6230 10.3287 10.3309 10.4589 10.4605 11.5135 11.5201 11.8968 11.9038 12.8262 12.8405 k = 0.1777-0.8668-1.5221 ( 6277 PWs) bands (ev): -3.0972 -3.0942 -1.9351 -1.9294 -1.5867 -1.5854 -0.9117 -0.9086 -0.7138 -0.7100 -0.4770 -0.4760 3.5571 3.5644 4.2633 4.2642 4.7511 4.7600 5.1065 5.1123 5.3688 5.3800 5.4964 5.5031 5.6573 5.6881 6.0737 6.0894 6.4653 6.4793 6.6890 6.6986 6.7592 6.7816 6.8134 6.8385 6.8996 6.9015 7.1196 7.1350 7.4563 7.4627 7.8664 7.8682 8.2770 8.2785 8.5756 8.5821 10.3461 10.3486 10.4730 10.4748 11.5346 11.5414 11.8980 11.9046 12.8717 12.8866 k = 0.1829-0.8923-1.5669 ( 6281 PWs) bands (ev): -3.0319 -3.0289 -1.8731 -1.8671 -1.5291 -1.5277 -0.8777 -0.8750 -0.6888 -0.6860 -0.4700 -0.4683 3.5734 3.5812 4.1915 4.1926 4.6941 4.7025 5.0842 5.0881 5.3249 5.3306 5.4274 5.4373 5.6521 5.6820 6.0446 6.0610 6.4185 6.4325 6.6277 6.6338 6.7387 6.7575 6.7900 6.8129 6.8756 6.8786 7.0601 7.0741 7.4057 7.4123 7.8295 7.8315 8.2400 8.2417 8.5348 8.5411 10.3673 10.3701 10.4892 10.4914 11.5581 11.5650 11.8974 11.9037 12.9062 12.9219 k = 0.1881-0.9178-1.6116 ( 6273 PWs) bands (ev): -2.9658 -2.9627 -1.8108 -1.8044 -1.4721 -1.4707 -0.8437 -0.8415 -0.6679 -0.6661 -0.4589 -0.4564 3.5852 3.5935 4.1198 4.1210 4.6361 4.6441 5.0593 5.0614 5.2679 5.2701 5.3757 5.3864 5.6500 5.6778 6.0178 6.0342 6.3752 6.3901 6.5653 6.5695 6.7148 6.7262 6.7659 6.7843 6.8612 6.8640 7.0056 7.0174 7.3560 7.3629 7.7915 7.7936 8.2024 8.2044 8.4937 8.5000 10.3922 10.3954 10.5076 10.5103 11.5837 11.5908 11.8953 11.9013 12.9307 12.9472 k = 0.1934-0.9433-1.6564 ( 6279 PWs) bands (ev): -2.8989 -2.8958 -1.7484 -1.7416 -1.4160 -1.4145 -0.8098 -0.8081 -0.6512 -0.6503 -0.4439 -0.4405 3.5920 3.6006 4.0490 4.0503 4.5788 4.5863 5.0283 5.0296 5.2055 5.2067 5.3372 5.3463 5.6498 5.6750 5.9890 6.0049 6.3358 6.3526 6.5076 6.5102 6.6854 6.6910 6.7384 6.7542 6.8510 6.8536 6.9581 6.9663 7.3079 7.3153 7.7521 7.7542 8.1645 8.1669 8.4525 8.4587 10.4208 10.4246 10.5284 10.5317 11.6112 11.6184 11.8920 11.8977 12.9464 12.9634 k = 0.1986-0.9688-1.7012 ( 6275 PWs) bands (ev): -2.8314 -2.8284 -1.6861 -1.6788 -1.3609 -1.3594 -0.7760 -0.7748 -0.6387 -0.6379 -0.4252 -0.4211 3.5935 3.6022 3.9800 3.9813 4.5231 4.5303 4.9881 4.9899 5.1466 5.1478 5.3072 5.3144 5.6494 5.6722 5.9562 5.9711 6.2972 6.3172 6.4581 6.4617 6.6530 6.6548 6.7058 6.7215 6.8404 6.8451 6.9197 6.9228 7.2622 7.2700 7.7110 7.7131 8.1266 8.1293 8.4113 8.4175 10.4529 10.4573 10.5517 10.5558 11.6402 11.6474 11.8877 11.8932 12.9542 12.9715 k = 0.2038-0.9942-1.7459 ( 6281 PWs) bands (ev): -2.7635 -2.7604 -1.6242 -1.6163 -1.3072 -1.3054 -0.7424 -0.7418 -0.6296 -0.6279 -0.4039 -0.3992 3.5894 3.5979 3.9134 3.9147 4.4698 4.4765 4.9381 4.9406 5.0954 5.0971 5.2841 5.2902 5.6462 5.6669 5.9199 5.9339 6.2546 6.2779 6.4214 6.4273 6.6192 6.6202 6.6680 6.6848 6.8277 6.8366 6.8874 6.8917 7.2194 7.2278 7.6683 7.6704 8.0889 8.0919 8.3702 8.3766 10.4881 10.4934 10.5776 10.5826 11.6704 11.6774 11.8830 11.8881 12.9541 12.9716 k = 0.2091-1.0197-1.7907 ( 6289 PWs) bands (ev): -2.6953 -2.6922 -1.5630 -1.5544 -1.2548 -1.2528 -0.7094 -0.7090 -0.6224 -0.6197 -0.3811 -0.3759 3.5799 3.5878 3.8496 3.8510 4.4194 4.4254 4.8801 4.8831 5.0526 5.0547 5.2671 5.2730 5.6367 5.6556 5.8834 5.8965 6.2066 6.2321 6.3976 6.4044 6.5856 6.5886 6.6267 6.6451 6.8143 6.8268 6.8613 6.8704 7.1800 7.1889 7.6243 7.6263 8.0516 8.0548 8.3296 8.3362 10.5260 10.5323 10.6063 10.6123 11.7014 11.7080 11.8782 11.8828 12.9465 12.9638 k = 0.2143-1.0452-1.8355 ( 6287 PWs) bands (ev): -2.6270 -2.6239 -1.5028 -1.4934 -1.2040 -1.2015 -0.6778 -0.6762 -0.6163 -0.6122 -0.3575 -0.3520 3.5652 3.5721 3.7891 3.7906 4.3720 4.3771 4.8174 4.8206 5.0170 5.0193 5.2550 5.2615 5.6177 5.6349 5.8503 5.8625 6.1563 6.1834 6.3786 6.3861 6.5554 6.5593 6.5854 6.6056 6.8021 6.8156 6.8422 6.8529 7.1444 7.1537 7.5791 7.5811 8.0149 8.0183 8.2898 8.2966 10.5661 10.5735 10.6380 10.6452 11.7329 11.7386 11.8741 11.8778 12.9317 12.9484 k = 0.2195-1.0707-1.8802 ( 6291 PWs) bands (ev): -2.5588 -2.5557 -1.4440 -1.4338 -1.1547 -1.1517 -0.6483 -0.6445 -0.6101 -0.6037 -0.3341 -0.3284 3.5460 3.5515 3.7321 3.7339 4.3278 4.3318 4.7526 4.7560 4.9875 4.9899 5.2459 5.2536 5.5881 5.6038 5.8216 5.8330 6.1079 6.1366 6.3554 6.3641 6.5291 6.5316 6.5489 6.5713 6.7916 6.8029 6.8286 6.8373 7.1127 7.1222 7.5332 7.5351 7.9791 7.9826 8.2509 8.2580 10.6077 10.6162 10.6731 10.6814 11.7645 11.7684 11.8713 11.8737 12.9105 12.9263 k = 0.2247-1.0962-1.9250 ( 6297 PWs) bands (ev): -2.4908 -2.4877 -1.3871 -1.3759 -1.1068 -1.1031 -0.6243 -0.6172 -0.6002 -0.5905 -0.3114 -0.3055 3.5231 3.5268 3.6789 3.6813 4.2867 4.2895 4.6876 4.6911 4.9633 4.9657 5.2374 5.2467 5.5505 5.5654 5.7945 5.8056 6.0656 6.0960 6.3225 6.3332 6.5020 6.5043 6.5242 6.5475 6.7809 6.7872 6.8208 6.8245 7.0847 7.0941 7.4867 7.4886 7.9445 7.9480 8.2134 8.2209 10.6501 10.6594 10.7122 10.7214 11.7959 11.7962 11.8694 11.8730 12.8840 12.8986 k = 0.2300-1.1217-1.9698 ( 6297 PWs) bands (ev): -2.4234 -2.4202 -1.3326 -1.3203 -1.0602 -1.0557 -0.6094 -0.6045 -0.5763 -0.5687 -0.2899 -0.2837 3.4975 3.4992 3.6296 3.6327 4.2488 4.2505 4.6236 4.6271 4.9437 4.9462 5.2261 5.2376 5.5103 5.5253 5.7649 5.7757 6.0324 6.0642 6.2795 6.2927 6.4737 6.4770 6.5119 6.5331 6.7665 6.7679 6.8175 6.8192 7.0601 7.0690 7.4401 7.4419 7.9115 7.9149 8.1776 8.1854 10.6926 10.7019 10.7559 10.7652 11.8192 11.8268 11.8682 11.8791 12.8534 12.8665 k = 0.2352-1.1472-2.0145 ( 6301 PWs) bands (ev): -2.3566 -2.3534 -1.2810 -1.2676 -1.0146 -1.0092 -0.6000 -0.5974 -0.5475 -0.5423 -0.2698 -0.2635 3.4695 3.4708 3.5843 3.5882 4.2137 4.2152 4.5614 4.5648 4.9279 4.9306 5.2082 5.2215 5.4736 5.4892 5.7309 5.7410 6.0087 6.0419 6.2290 6.2455 6.4482 6.4516 6.5051 6.5238 6.7455 6.7476 6.8174 6.8222 7.0380 7.0459 7.3935 7.3952 7.8805 7.8837 8.1438 8.1519 10.7350 10.7436 10.8040 10.8127 11.8348 11.8567 11.8693 11.8943 12.8197 12.8314 k = 0.2404-1.1727-2.0593 ( 6293 PWs) bands (ev): -2.2909 -2.2876 -1.2328 -1.2183 -0.9697 -0.9634 -0.5919 -0.5905 -0.5193 -0.5152 -0.2515 -0.2450 3.4400 3.4433 3.5431 3.5476 4.1813 4.1838 4.5016 4.5050 4.9153 4.9182 5.1799 5.1943 5.4448 5.4609 5.6942 5.7034 5.9919 6.0271 6.1745 6.1954 6.4258 6.4292 6.5001 6.5164 6.7215 6.7251 6.8219 6.8282 7.0177 7.0243 7.3471 7.3488 7.8518 7.8549 8.1122 8.1207 10.7770 10.7846 10.8557 10.8634 11.8448 11.8707 11.8880 11.9170 12.7837 12.7940 k = 0.2456-1.1982-2.1041 ( 6289 PWs) bands (ev): -2.2263 -2.2230 -1.1886 -1.1730 -0.9251 -0.9180 -0.5839 -0.5831 -0.4926 -0.4891 -0.2350 -0.2284 3.4111 3.4165 3.5061 3.5110 4.1521 4.1561 4.4447 4.4482 4.9051 4.9084 5.1406 5.1548 5.4228 5.4386 5.6598 5.6682 5.9769 6.0152 6.1202 6.1462 6.4063 6.4096 6.4952 6.5095 6.6967 6.7012 6.8289 6.8359 6.9983 7.0032 7.3011 7.3028 7.8259 7.8288 8.0830 8.0918 10.8189 10.8254 10.9101 10.9168 11.8536 11.8769 11.9169 11.9431 12.7461 12.7551 k = 0.2509-1.2237-2.1488 ( 6289 PWs) bands (ev): -2.1633 -2.1599 -1.1485 -1.1320 -0.8807 -0.8728 -0.5755 -0.5750 -0.4677 -0.4647 -0.2206 -0.2139 3.3840 3.3914 3.4732 3.4783 4.1262 4.1318 4.3914 4.3948 4.8965 4.9005 5.0928 5.1060 5.4006 5.4153 5.6352 5.6425 5.9569 5.9962 6.0748 6.1036 6.3896 6.3928 6.4899 6.5026 6.6717 6.6771 6.8368 6.8440 6.9793 6.9824 7.2556 7.2573 7.8031 7.8058 8.0563 8.0655 10.8608 10.8662 10.9665 10.9723 11.8637 11.8859 11.9456 11.9706 12.7075 12.7154 k = 0.2561-1.2492-2.1936 ( 6289 PWs) bands (ev): -2.1021 -2.0987 -1.1129 -1.0955 -0.8364 -0.8279 -0.5665 -0.5660 -0.4451 -0.4423 -0.2084 -0.2015 3.3594 3.3687 3.4445 3.4497 4.1034 4.1105 4.3421 4.3455 4.8887 4.8939 5.0403 5.0520 5.3702 5.3831 5.6266 5.6323 5.9254 5.9566 6.0511 6.0730 6.3754 6.3785 6.4838 6.4955 6.6472 6.6534 6.8442 6.8512 6.9603 6.9618 7.2105 7.2125 7.7836 7.7861 8.0324 8.0417 10.9026 10.9072 11.0244 11.0294 11.8762 11.8982 11.9742 11.9987 12.6685 12.6753 k = 0.2613-1.2747-2.2384 ( 6291 PWs) bands (ev): -2.0430 -2.0395 -1.0816 -1.0636 -0.7923 -0.7834 -0.5568 -0.5563 -0.4249 -0.4222 -0.1984 -0.1914 3.3378 3.3488 3.4202 3.4253 4.0833 4.0919 4.2973 4.3007 4.8803 4.8878 4.9871 4.9968 5.3289 5.3400 5.6341 5.6380 5.8818 5.9024 6.0427 6.0550 6.3634 6.3663 6.4769 6.4881 6.6238 6.6307 6.8504 6.8566 6.9398 6.9427 7.1661 7.1684 7.7675 7.7698 8.0111 8.0206 10.9446 10.9484 11.0833 11.0876 11.8919 11.9140 12.0030 12.0273 12.6295 12.6353 k = 0.2665-1.3002-2.2831 ( 6289 PWs) bands (ev): -1.9864 -1.9828 -1.0545 -1.0361 -0.7487 -0.7395 -0.5462 -0.5457 -0.4073 -0.4046 -0.1908 -0.1836 3.3196 3.3323 3.4004 3.4053 4.0650 4.0750 4.2578 4.2612 4.8675 4.8794 4.9389 4.9458 5.2792 5.2889 5.6518 5.6541 5.8328 5.8459 6.0390 6.0447 6.3533 6.3561 6.4691 6.4803 6.6018 6.6095 6.8548 6.8591 6.9187 6.9250 7.1223 7.1252 7.7548 7.7568 7.9923 8.0019 10.9868 10.9899 11.1429 11.1467 11.9107 11.9333 12.0323 12.0567 12.5909 12.5960 k = 0.2718-1.3257-2.3279 ( 6293 PWs) bands (ev): -1.9326 -1.9289 -1.0313 -1.0125 -0.7060 -0.6969 -0.5348 -0.5344 -0.3923 -0.3897 -0.1856 -0.1783 3.3049 3.3193 3.3854 3.3901 4.0475 4.0584 4.2246 4.2278 4.8406 4.8574 4.9068 4.9122 5.2244 5.2332 5.6677 5.6694 5.7903 5.7976 6.0353 6.0383 6.3449 6.3475 6.4603 6.4720 6.5815 6.5900 6.8570 6.8575 6.8976 6.9093 7.0795 7.0833 7.7452 7.7470 7.9759 7.9855 11.0292 11.0318 11.2030 11.2063 11.9329 11.9559 12.0626 12.0870 12.5532 12.5577 k = 0.2770-1.3512-2.3727 ( 6297 PWs) bands (ev): -1.8819 -1.8782 -1.0116 -0.9924 -0.6649 -0.6559 -0.5223 -0.5222 -0.3800 -0.3773 -0.1830 -0.1755 3.2937 3.3098 3.3751 3.3797 4.0294 4.0405 4.1984 4.2017 4.7995 4.8156 4.8967 4.8997 5.1671 5.1752 5.6550 5.6589 5.7794 5.7824 6.0299 6.0343 6.3378 6.3403 6.4506 6.4630 6.5630 6.5723 6.8506 6.8567 6.8769 6.8969 7.0380 7.0429 7.7386 7.7402 7.9616 7.9711 11.0720 11.0742 11.2632 11.2662 11.9581 11.9815 12.0943 12.1186 12.5168 12.5207 k = 0.2822-1.3767-2.4174 ( 6297 PWs) bands (ev): -1.8347 -1.8309 -0.9949 -0.9755 -0.6257 -0.6171 -0.5091 -0.5086 -0.3704 -0.3675 -0.1829 -0.1752 3.2861 3.3039 3.3697 3.3743 4.0093 4.0198 4.1794 4.1839 4.7558 4.7705 4.8952 4.8963 5.1089 5.1165 5.6097 5.6137 5.8043 5.8071 6.0235 6.0303 6.3317 6.3343 6.4399 6.4532 6.5465 6.5561 6.8386 6.8523 6.8584 6.8877 6.9985 7.0048 7.7345 7.7359 7.9490 7.9584 11.1153 11.1172 11.3234 11.3260 11.9861 12.0096 12.1279 12.1516 12.4818 12.4855 k = 0.2874-1.4021-2.4622 ( 6301 PWs) bands (ev): -1.7914 -1.7875 -0.9809 -0.9613 -0.5892 -0.5815 -0.4949 -0.4934 -0.3632 -0.3601 -0.1853 -0.1776 3.2820 3.3014 3.3692 3.3737 3.9864 3.9957 4.1673 4.1742 4.7153 4.7290 4.8969 4.8976 5.0510 5.0583 5.5531 5.5562 5.8434 5.8475 6.0166 6.0258 6.3264 6.3291 6.4285 6.4427 6.5314 6.5409 6.8232 6.8351 6.8511 6.8802 6.9615 6.9698 7.7326 7.7338 7.9380 7.9472 11.1594 11.1611 11.3832 11.3855 12.0163 12.0396 12.1635 12.1862 12.4484 12.4523 k = 0.2927-1.4276-2.5070 ( 6305 PWs) bands (ev): -1.7523 -1.7483 -0.9692 -0.9493 -0.5559 -0.5496 -0.4795 -0.4762 -0.3582 -0.3548 -0.1904 -0.1825 3.2811 3.3022 3.3733 3.3779 3.9607 3.9684 4.1612 4.1711 4.6803 4.6933 4.9009 4.9026 4.9943 5.0014 5.4936 5.4959 5.8867 5.8935 6.0096 6.0218 6.3216 6.3247 6.4163 6.4314 6.5173 6.5262 6.8061 6.8157 6.8446 6.8728 6.9281 6.9388 7.7324 7.7336 7.9281 7.9372 11.2044 11.2061 11.4422 11.4442 12.0480 12.0705 12.2012 12.2219 12.4163 12.4212 k = 0.2979-1.4531-2.5517 ( 6303 PWs) bands (ev): -1.7176 -1.7135 -0.9595 -0.9394 -0.5266 -0.5223 -0.4625 -0.4569 -0.3553 -0.3514 -0.1979 -0.1899 3.2831 3.3058 3.3819 3.3867 3.9323 3.9386 4.1599 4.1730 4.6521 4.6646 4.9065 4.9105 4.9397 4.9477 5.4337 5.4355 5.9280 5.9404 6.0046 6.0218 6.3173 6.3209 6.4034 6.4194 6.5032 6.5109 6.7885 6.7967 6.8371 6.8648 6.8992 6.9124 7.7337 7.7350 7.9192 7.9282 11.2506 11.2524 11.4999 11.5016 12.0799 12.1011 12.2401 12.2575 12.3850 12.3930 k = 0.3031-1.4786-2.5965 ( 6305 PWs) bands (ev): -1.6876 -1.6835 -0.9514 -0.9311 -0.5016 -0.4994 -0.4442 -0.4360 -0.3538 -0.3496 -0.2077 -0.1997 3.2875 3.3119 3.3946 3.3995 3.9019 3.9067 4.1621 4.1783 4.6311 4.6432 4.8868 4.8897 4.9217 4.9235 5.3748 5.3761 5.9560 5.9747 6.0144 6.0358 6.3133 6.3177 6.3900 6.4070 6.4883 6.4943 6.7711 6.7786 6.8290 6.8557 6.8757 6.8909 7.7362 7.7376 7.9109 7.9199 11.2981 11.3001 11.5554 11.5568 12.1105 12.1299 12.2747 12.2875 12.3559 12.3724 k = 0.3083-1.5041-2.6413 ( 6299 PWs) bands (ev): -1.6625 -1.6584 -0.9448 -0.9243 -0.4806 -0.4800 -0.4256 -0.4156 -0.3529 -0.3487 -0.2194 -0.2115 3.2938 3.3196 3.4108 3.4160 3.8700 3.8735 4.1667 4.1859 4.6173 4.6291 4.8391 4.8424 4.9355 4.9362 5.3174 5.3185 5.9631 5.9782 6.0560 6.0713 6.3096 6.3152 6.3761 6.3941 6.4716 6.4755 6.7551 6.7625 6.8208 6.8449 6.8583 6.8739 7.7395 7.7411 7.9033 7.9124 11.3471 11.3495 11.6070 11.6080 12.1365 12.1540 12.2777 12.2879 12.3549 12.3786 k = 0.3136-1.5296-2.6860 ( 6289 PWs) bands (ev): -1.6424 -1.6383 -0.9395 -0.9187 -0.4629 -0.4627 -0.4087 -0.3991 -0.3504 -0.3477 -0.2326 -0.2250 3.3012 3.3282 3.4296 3.4352 3.8378 3.8402 4.1725 4.1945 4.6102 4.6217 4.7958 4.7985 4.9531 4.9546 5.2623 5.2633 5.9607 5.9741 6.1051 6.1172 6.3063 6.3134 6.3619 6.3808 6.4526 6.4545 6.7414 6.7491 6.8127 6.8328 6.8464 6.8610 7.7435 7.7454 7.8965 7.9057 11.3977 11.4004 11.6515 11.6522 12.1499 12.1679 12.2465 12.2526 12.3935 12.4119 k = 0.3188-1.5551-2.7308 ( 6291 PWs) bands (ev): -1.6273 -1.6231 -0.9353 -0.9144 -0.4473 -0.4473 -0.3967 -0.3912 -0.3450 -0.3426 -0.2465 -0.2394 3.3087 3.3367 3.4497 3.4555 3.8069 3.8085 4.1786 4.2031 4.6085 4.6199 4.7587 4.7607 4.9748 4.9767 5.2103 5.2113 5.9567 5.9699 6.1531 6.1653 6.3034 6.3125 6.3477 6.3673 6.4305 6.4335 6.7305 6.7391 6.8042 6.8209 6.8384 6.8518 7.7478 7.7500 7.8906 7.9001 11.4495 11.4530 11.6826 11.6833 12.1326 12.1512 12.2235 12.2329 12.4402 12.4540 k = 0.3240-1.5806-2.7756 ( 6285 PWs) bands (ev): -1.6170 -1.6128 -0.9324 -0.9112 -0.4340 -0.4328 -0.3926 -0.3919 -0.3391 -0.3307 -0.2595 -0.2537 3.3152 3.3440 3.4682 3.4745 3.7803 3.7818 4.1837 4.2102 4.6105 4.6219 4.7299 4.7313 4.9997 5.0022 5.1626 5.1638 5.9538 5.9672 6.1962 6.2112 6.3009 6.3123 6.3343 6.3530 6.4077 6.4148 6.7226 6.7325 6.7953 6.8099 6.8337 6.8460 7.7521 7.7545 7.8862 7.8960 11.5019 11.5066 11.6893 11.6911 12.0953 12.1099 12.2282 12.2343 12.4880 12.4997 k = 0.3293-1.6061-2.8203 ( 6287 PWs) bands (ev): -1.6114 -1.6073 -0.9306 -0.9094 -0.4240 -0.4193 -0.3997 -0.3926 -0.3332 -0.3198 -0.2689 -0.2651 3.3197 3.3489 3.4813 3.4879 3.7624 3.7643 4.1867 4.2144 4.6136 4.6252 4.7123 4.7131 5.0241 5.0277 5.1233 5.1254 5.9531 5.9667 6.2296 6.2497 6.2985 6.3102 6.3238 6.3366 6.3914 6.4035 6.7172 6.7287 6.7863 6.7997 6.8319 6.8431 7.7560 7.7584 7.8842 7.8941 11.5508 11.5584 11.6622 11.6672 12.0727 12.0846 12.2394 12.2424 12.5339 12.5462 k = 0.3345-1.6316-2.8651 ( 6293 PWs) bands (ev): -1.6103 -1.6061 -0.9302 -0.9090 -0.4211 -0.4130 -0.4048 -0.3935 -0.3315 -0.3168 -0.2712 -0.2682 3.3208 3.3501 3.4844 3.4911 3.7585 3.7605 4.1867 4.2148 4.6151 4.6269 4.7089 4.7094 5.0308 5.0350 5.1109 5.1137 5.9550 5.9689 6.2488 6.2700 6.2976 6.3015 6.3134 6.3193 6.3941 6.4082 6.7135 6.7269 6.7783 6.7914 6.8326 6.8427 7.7587 7.7610 7.8853 7.8952 11.5579 11.5677 11.6419 11.6493 12.0736 12.0836 12.2533 12.2546 12.5732 12.5846 k = 0.6655-1.5809-2.8356 ( 6293 PWs) bands (ev): -1.6103 -1.6061 -0.9302 -0.9090 -0.4211 -0.4130 -0.4048 -0.3935 -0.3315 -0.3168 -0.2712 -0.2682 3.3208 3.3501 3.4844 3.4911 3.7585 3.7605 4.1867 4.2148 4.6151 4.6269 4.7089 4.7094 5.0308 5.0350 5.1109 5.1137 5.9550 5.9689 6.2488 6.2700 6.2976 6.3015 6.3134 6.3193 6.3941 6.4082 6.7135 6.7269 6.7783 6.7914 6.8326 6.8427 7.7587 7.7610 7.8853 7.8952 11.5579 11.5677 11.6419 11.6493 12.0736 12.0836 12.2533 12.2546 12.5732 12.5846 k = 0.6603-1.5299-2.8356 ( 6287 PWs) bands (ev): -1.6130 -1.6089 -0.9313 -0.9101 -0.4288 -0.4264 -0.3949 -0.3911 -0.3342 -0.3227 -0.2661 -0.2615 3.3173 3.3463 3.4761 3.4825 3.7700 3.7716 4.1842 4.2114 4.6144 4.6260 4.7196 4.7206 5.0082 5.0113 5.1387 5.1406 5.9596 5.9736 6.2551 6.2670 6.2845 6.2905 6.3009 6.3149 6.4174 6.4300 6.7108 6.7257 6.7732 6.7859 6.8350 6.8443 7.7596 7.7616 7.8907 7.9002 11.4815 11.4855 11.6898 11.6917 12.0867 12.0948 12.2700 12.2728 12.5740 12.5819 k = 0.6552-1.4789-2.8356 ( 6289 PWs) bands (ev): -1.6194 -1.6152 -0.9340 -0.9130 -0.4439 -0.4436 -0.3896 -0.3871 -0.3363 -0.3307 -0.2568 -0.2505 3.3079 3.3358 3.4596 3.4650 3.7928 3.7942 4.1809 4.2061 4.6129 4.6240 4.7423 4.7439 4.9777 4.9800 5.1831 5.1846 5.9662 5.9803 6.2525 6.2538 6.2633 6.2700 6.3031 6.3136 6.4497 6.4602 6.7087 6.7239 6.7729 6.7846 6.8388 6.8473 7.7585 7.7600 7.9008 7.9097 11.3791 11.3813 11.7477 11.7478 12.1001 12.1056 12.2879 12.2957 12.5280 12.5388 k = 0.6500-1.4279-2.8356 ( 6289 PWs) bands (ev): -1.6289 -1.6247 -0.9384 -0.9177 -0.4638 -0.4632 -0.3924 -0.3848 -0.3347 -0.3344 -0.2457 -0.2384 3.2916 3.3174 3.4397 3.4436 3.8190 3.8220 4.1807 4.2025 4.6114 4.6220 4.7745 4.7767 4.9481 4.9500 5.2352 5.2368 5.9739 5.9878 6.2345 6.2402 6.2491 6.2569 6.3054 6.3131 6.4816 6.4906 6.7073 6.7219 6.7784 6.7885 6.8440 6.8516 7.7552 7.7561 7.9159 7.9240 11.2676 11.2692 11.8064 11.8071 12.1057 12.1100 12.2962 12.3128 12.4908 12.5073 k = 0.6448-1.3769-2.8356 ( 6289 PWs) bands (ev): -1.6410 -1.6369 -0.9447 -0.9243 -0.4861 -0.4855 -0.3991 -0.3893 -0.3324 -0.3293 -0.2338 -0.2262 3.2679 3.2909 3.4193 3.4218 3.8407 3.8467 4.1892 4.2065 4.6096 4.6199 4.8146 4.8173 4.9216 4.9229 5.2928 5.2948 5.9809 5.9939 6.2192 6.2216 6.2420 6.2484 6.3080 6.3133 6.5082 6.5161 6.7084 6.7219 6.7892 6.7977 6.8509 6.8576 7.7501 7.7506 7.9358 7.9431 11.1524 11.1536 11.8644 11.8656 12.0990 12.1070 12.2819 12.3058 12.4933 12.5124 k = 0.6397-1.3259-2.8356 ( 6297 PWs) bands (ev): -1.6555 -1.6515 -0.9529 -0.9330 -0.5102 -0.5095 -0.4079 -0.3983 -0.3261 -0.3226 -0.2216 -0.2140 3.2380 3.2580 3.3987 3.4015 3.8513 3.8610 4.2118 4.2240 4.6073 4.6173 4.8599 4.8634 4.8991 4.9008 5.3549 5.3574 5.9850 5.9962 6.2096 6.2105 6.2355 6.2432 6.3109 6.3142 6.5261 6.5333 6.7135 6.7258 6.8041 6.8120 6.8602 6.8666 7.7434 7.7441 7.9602 7.9666 11.0358 11.0369 11.9168 11.9187 12.0821 12.0941 12.2555 12.2815 12.5323 12.5496 k = 0.6345-1.2749-2.8356 ( 6303 PWs) bands (ev): -1.6719 -1.6679 -0.9630 -0.9436 -0.5357 -0.5347 -0.4179 -0.4093 -0.3186 -0.3157 -0.2089 -0.2018 3.2033 3.2208 3.3778 3.3818 3.8480 3.8608 4.2502 4.2582 4.6046 4.6147 4.8720 4.8780 4.9151 4.9222 5.4203 5.4236 5.9843 5.9930 6.2059 6.2093 6.2325 6.2408 6.3142 6.3158 6.5343 6.5412 6.7226 6.7338 6.8220 6.8303 6.8733 6.8813 7.7357 7.7368 7.9885 7.9941 10.9193 10.9202 11.9460 11.9501 12.0721 12.0828 12.2354 12.2599 12.5886 12.6037 k = 0.6293-1.2240-2.8356 ( 6303 PWs) bands (ev): -1.6898 -1.6859 -0.9749 -0.9562 -0.5619 -0.5606 -0.4285 -0.4212 -0.3113 -0.3094 -0.1958 -0.1893 3.1658 3.1811 3.3565 3.3615 3.8324 3.8470 4.3013 4.3066 4.6024 4.6133 4.8568 4.8606 4.9715 4.9772 5.4881 5.4924 5.9786 5.9845 6.2099 6.2132 6.2366 6.2420 6.3177 6.3183 6.5343 6.5413 6.7329 6.7437 6.8420 6.8515 6.8931 6.9039 7.7277 7.7289 8.0205 8.0253 10.8035 10.8044 11.9238 11.9318 12.0991 12.1033 12.2273 12.2473 12.6525 12.6658 k = 0.6241-1.1730-2.8356 ( 6299 PWs) bands (ev): -1.7089 -1.7050 -0.9885 -0.9705 -0.5884 -0.5869 -0.4396 -0.4335 -0.3048 -0.3040 -0.1821 -0.1765 3.1266 3.1403 3.3343 3.3400 3.8080 3.8233 4.3584 4.3628 4.6035 4.6158 4.8432 4.8461 5.0308 5.0364 5.5568 5.5625 5.9692 5.9725 6.2161 6.2228 6.2471 6.2500 6.3207 6.3229 6.5287 6.5362 6.7409 6.7523 6.8645 6.8745 6.9223 6.9346 7.7194 7.7209 8.0557 8.0598 10.6891 10.6900 11.8691 11.8779 12.1428 12.1464 12.2328 12.2447 12.7200 12.7321 k = 0.6190-1.1220-2.8356 ( 6299 PWs) bands (ev): -1.7289 -1.7251 -1.0037 -0.9865 -0.6149 -0.6133 -0.4510 -0.4460 -0.2998 -0.2993 -0.1680 -0.1632 3.0868 3.0992 3.3112 3.3173 3.7778 3.7932 4.4118 4.4166 4.6140 4.6285 4.8327 4.8347 5.0914 5.0969 5.6248 5.6323 5.9584 5.9596 6.2231 6.2382 6.2580 6.2678 6.3247 6.3295 6.5202 6.5285 6.7451 6.7575 6.8903 6.8996 6.9608 6.9729 7.7113 7.7129 8.0938 8.0970 10.5765 10.5772 11.8028 11.8112 12.1719 12.1849 12.2600 12.2607 12.7889 12.7998 k = 0.6138-1.0710-2.8356 ( 6297 PWs) bands (ev): -1.7495 -1.7458 -1.0202 -1.0038 -0.6413 -0.6395 -0.4628 -0.4588 -0.2964 -0.2951 -0.1535 -0.1495 3.0471 3.0585 3.2870 3.2934 3.7442 3.7592 4.4493 4.4543 4.6439 4.6601 4.8265 4.8279 5.1515 5.1570 5.6901 5.6998 5.9474 5.9488 6.2342 6.2569 6.2730 6.2856 6.3305 6.3409 6.5107 6.5201 6.7456 6.7588 6.9190 6.9266 7.0073 7.0183 7.7035 7.7053 8.1342 8.1366 10.4657 10.4664 11.7316 11.7393 12.1829 12.1993 12.3039 12.3091 12.8563 12.8658 k = 0.6086-1.0200-2.8356 ( 6297 PWs) bands (ev): -1.7705 -1.7669 -1.0378 -1.0223 -0.6672 -0.6653 -0.4748 -0.4716 -0.2942 -0.2920 -0.1387 -0.1354 3.0080 3.0185 3.2620 3.2685 3.7086 3.7231 4.4652 4.4693 4.6932 4.7093 4.8280 4.8315 5.2094 5.2147 5.7507 5.7631 5.9383 5.9418 6.2506 6.2767 6.2914 6.2999 6.3399 6.3602 6.5021 6.5126 6.7437 6.7571 6.9491 6.9552 7.0608 7.0704 7.6962 7.6982 8.1764 8.1780 10.3571 10.3577 11.6579 11.6650 12.1860 12.2012 12.3606 12.3663 12.9118 12.9185 k = 0.6034-0.9690-2.8356 ( 6289 PWs) bands (ev): -1.7916 -1.7881 -1.0563 -1.0416 -0.6925 -0.6907 -0.4870 -0.4845 -0.2929 -0.2901 -0.1237 -0.1210 2.9698 2.9795 3.2363 3.2429 3.6721 3.6859 4.4660 4.4686 4.7375 4.7511 4.8543 4.8622 5.2631 5.2682 5.8045 5.8198 5.9334 5.9393 6.2705 6.2892 6.3116 6.3195 6.3564 6.3864 6.4965 6.5078 6.7406 6.7537 6.9797 6.9849 7.1200 7.1286 7.6899 7.6922 8.2199 8.2208 10.2505 10.2510 11.5829 11.5895 12.1860 12.1993 12.4204 12.4255 12.9182 12.9212 k = 0.5983-0.9180-2.8356 ( 6285 PWs) bands (ev): -1.8126 -1.8093 -1.0754 -1.0617 -0.7172 -0.7154 -0.4992 -0.4974 -0.2924 -0.2891 -0.1087 -0.1066 2.9328 2.9418 3.2102 3.2169 3.6353 3.6485 4.4586 4.4601 4.7546 4.7643 4.9203 4.9309 5.3108 5.3156 5.8500 5.8682 5.9338 5.9428 6.2845 6.2964 6.3311 6.3526 6.3818 6.4153 6.4967 6.5087 6.7374 6.7497 7.0102 7.0155 7.1837 7.1916 7.6850 7.6876 8.2639 8.2648 10.1460 10.1465 11.5071 11.5133 12.1841 12.1953 12.4800 12.4839 12.8841 12.8891 k = 0.5931-0.8670-2.8356 ( 6289 PWs) bands (ev): -1.8334 -1.8302 -1.0950 -1.0821 -0.7411 -0.7394 -0.5116 -0.5102 -0.2926 -0.2890 -0.0937 -0.0921 2.8971 2.9055 3.1840 3.1906 3.5989 3.6114 4.4470 4.4480 4.7566 4.7639 5.0075 5.0190 5.3510 5.3556 5.8867 5.9077 5.9401 5.9526 6.2873 6.3000 6.3643 6.3825 6.4174 6.4416 6.5076 6.5200 6.7360 6.7464 7.0411 7.0473 7.2500 7.2577 7.6823 7.6856 8.3078 8.3093 10.0435 10.0442 11.4308 11.4366 12.1801 12.1894 12.5374 12.5394 12.8389 12.8470 k = 0.5879-0.8161-2.8356 ( 6293 PWs) bands (ev): -1.8538 -1.8507 -1.1147 -1.1027 -0.7642 -0.7626 -0.5238 -0.5229 -0.2935 -0.2897 -0.0791 -0.0778 2.8628 2.8707 3.1578 3.1644 3.5633 3.5751 4.4333 4.4339 4.7538 4.7597 5.1020 5.1142 5.3833 5.3875 5.9161 5.9387 5.9521 5.9678 6.2857 6.2995 6.4023 6.4045 6.4588 6.4631 6.5347 6.5458 6.7383 6.7455 7.0731 7.0806 7.3167 7.3245 7.6835 7.6875 8.3512 8.3537 9.9431 9.9440 11.3540 11.3595 12.1739 12.1813 12.5869 12.5909 12.7924 12.8054 k = 0.5828-0.7651-2.8356 ( 6281 PWs) bands (ev): -1.8736 -1.8707 -1.1344 -1.1233 -0.7863 -0.7848 -0.5360 -0.5353 -0.2948 -0.2909 -0.0647 -0.0637 2.8302 2.8376 3.1320 3.1385 3.5289 3.5399 4.4184 4.4191 4.7492 4.7542 5.1984 5.2113 5.4083 5.4123 5.9407 5.9629 5.9684 5.9858 6.2824 6.2965 6.4170 6.4357 6.4879 6.5014 6.5774 6.5816 6.7473 6.7495 7.1076 7.1163 7.3802 7.3882 7.6913 7.6961 8.3937 8.3972 9.8446 9.8458 11.2769 11.2821 12.1648 12.1703 12.6168 12.6292 12.7566 12.7780 k = 0.5776-0.7141-2.8356 ( 6281 PWs) bands (ev): -1.8928 -1.8900 -1.1538 -1.1435 -0.8074 -0.8060 -0.5479 -0.5475 -0.2966 -0.2927 -0.0509 -0.0501 2.7993 2.8062 3.1066 3.1130 3.4958 3.5061 4.4031 4.4039 4.7437 4.7481 5.2914 5.3053 5.4292 5.4341 5.9618 5.9807 5.9889 6.0050 6.2781 6.2918 6.4280 6.4541 6.5227 6.5405 6.6209 6.6289 6.7613 6.7675 7.1458 7.1556 7.4354 7.4437 7.7103 7.7157 8.4347 8.4392 9.7479 9.7495 11.1995 11.2043 12.1521 12.1558 12.6110 12.6276 12.7587 12.7839 k = 0.5724-0.6631-2.8356 ( 6281 PWs) bands (ev): -1.9111 -1.9085 -1.1728 -1.1633 -0.8274 -0.8261 -0.5595 -0.5593 -0.2986 -0.2948 -0.0376 -0.0370 2.7702 2.7765 3.0820 3.0883 3.4643 3.4739 4.3879 4.3888 4.7378 4.7416 5.3670 5.3813 5.4592 5.4678 5.9793 5.9930 6.0124 6.0252 6.2733 6.2862 6.4393 6.4676 6.5540 6.5724 6.6653 6.6807 6.7864 6.7997 7.1889 7.1995 7.4776 7.4853 7.7451 7.7505 8.4738 8.4793 9.6530 9.6551 11.1218 11.1264 12.1349 12.1370 12.5779 12.5915 12.7945 12.8162 k = 0.5672-0.6121-2.8356 ( 6287 PWs) bands (ev): -1.9286 -1.9261 -1.1911 -1.1825 -0.8463 -0.8452 -0.5707 -0.5707 -0.3009 -0.2972 -0.0249 -0.0245 2.7429 2.7488 3.0584 3.0644 3.4345 3.4434 4.3731 4.3740 4.7316 4.7350 5.4021 5.4125 5.5253 5.5360 5.9923 6.0015 6.0372 6.0471 6.2683 6.2801 6.4524 6.4813 6.5743 6.5942 6.7139 6.7287 6.8274 6.8432 7.2374 7.2483 7.5055 7.5123 7.7968 7.8014 8.5104 8.5170 9.5598 9.5624 11.0441 11.0485 12.1125 12.1130 12.5367 12.5480 12.8377 12.8564 k = 0.5621-0.5611-2.8356 ( 6281 PWs) bands (ev): -1.9451 -1.9428 -1.2087 -1.2008 -0.8640 -0.8630 -0.5815 -0.5814 -0.3033 -0.2998 -0.0130 -0.0127 2.7176 2.7229 3.0358 3.0415 3.4067 3.4149 4.3588 4.3597 4.7253 4.7282 5.4122 5.4196 5.6086 5.6202 6.0009 6.0072 6.0629 6.0706 6.2637 6.2742 6.4675 6.4965 6.5859 6.6083 6.7606 6.7699 6.8835 6.8973 7.2901 7.3006 7.5239 7.5300 7.8606 7.8644 8.5440 8.5517 9.4681 9.4715 10.9666 10.9706 12.0835 12.0842 12.4963 12.5061 12.8796 12.8961 k = 0.5569-0.5101-2.8356 ( 6291 PWs) bands (ev): -1.9605 -1.9584 -1.2253 -1.2182 -0.8805 -0.8796 -0.5918 -0.5916 -0.3058 -0.3025 -0.0019 -0.0016 2.6941 2.6990 3.0144 3.0198 3.3809 3.3884 4.3453 4.3462 4.7189 4.7214 5.4141 5.4201 5.6906 5.7027 6.0059 6.0109 6.0892 6.0955 6.2603 6.2693 6.4844 6.5127 6.5941 6.6184 6.7990 6.8035 6.9504 6.9615 7.3424 7.3524 7.5404 7.5478 7.9308 7.9341 8.5743 8.5830 9.3781 9.3823 10.8896 10.8934 12.0487 12.0502 12.4597 12.4684 12.9166 12.9312 k = 0.5517-0.4591-2.8356 ( 6293 PWs) bands (ev): -1.9748 -1.9728 -1.2408 -1.2345 -0.8958 -0.8950 -0.6014 -0.6011 -0.3083 -0.3052 0.0084 0.0086 2.6726 2.6771 2.9945 2.9995 3.3573 3.3641 4.3326 4.3335 4.7126 4.7148 5.4126 5.4177 5.7653 5.7776 6.0079 6.0132 6.1161 6.1212 6.2597 6.2668 6.5017 6.5279 6.6039 6.6285 6.8271 6.8304 7.0237 7.0333 7.3852 7.3956 7.5658 7.5765 8.0030 8.0064 8.6010 8.6107 9.2896 9.2947 10.8136 10.8171 12.0093 12.0113 12.4277 12.4354 12.9463 12.9588 k = 0.5466-0.4082-2.8356 ( 6287 PWs) bands (ev): -1.9878 -1.9861 -1.2552 -1.2495 -0.9097 -0.9090 -0.6103 -0.6100 -0.3107 -0.3079 0.0178 0.0180 2.6531 2.6572 2.9760 2.9806 3.3358 3.3419 4.3210 4.3219 4.7065 4.7084 5.4096 5.4140 5.8294 5.8417 6.0080 6.0144 6.1419 6.1453 6.2650 6.2698 6.5177 6.5394 6.6197 6.6419 6.8471 6.8512 7.0997 7.1092 7.4097 7.4216 7.6102 7.6237 8.0743 8.0785 8.6239 8.6345 9.2026 9.2089 10.7393 10.7425 11.9668 11.9690 12.4003 12.4069 12.9664 12.9765 k = 0.5414-0.3572-2.8356 ( 6297 PWs) bands (ev): -1.9997 -1.9981 -1.2683 -1.2633 -0.9222 -0.9216 -0.6183 -0.6180 -0.3130 -0.3105 0.0263 0.0265 2.6357 2.6393 2.9592 2.9634 3.3165 3.3220 4.3105 4.3113 4.7007 4.7023 5.4059 5.4096 5.8812 5.8934 6.0070 6.0149 6.1624 6.1634 6.2803 6.2829 6.5306 6.5458 6.6432 6.6609 6.8616 6.8663 7.1750 7.1857 7.4179 7.4310 7.6728 7.6874 8.1425 8.1482 8.6429 8.6541 9.1174 9.1250 10.6676 10.6705 11.9230 11.9251 12.3766 12.3821 12.9748 12.9825 k = 0.5362-0.3062-2.8356 ( 6293 PWs) bands (ev): -2.0102 -2.0088 -1.2800 -1.2757 -0.9334 -0.9329 -0.6256 -0.6253 -0.3151 -0.3129 0.0339 0.0340 2.6203 2.6234 2.9441 2.9478 3.2996 3.3043 4.3010 4.3018 4.6953 4.6966 5.4019 5.4051 5.9207 5.9331 6.0053 6.0151 6.1723 6.1735 6.3063 6.3096 6.5394 6.5484 6.6732 6.6865 6.8720 6.8771 7.2460 7.2594 7.4168 7.4321 7.7456 7.7605 8.2059 8.2141 8.6580 8.6693 9.0342 9.0433 10.5995 10.6021 11.8796 11.8816 12.3559 12.3603 12.9717 12.9771 k = 0.5310-0.2552-2.8356 ( 6297 PWs) bands (ev): -2.0194 -2.0182 -1.2903 -1.2866 -0.9431 -0.9427 -0.6320 -0.6317 -0.3170 -0.3151 0.0404 0.0405 2.6069 2.6096 2.9308 2.9341 3.2849 3.2889 4.2928 4.2934 4.6903 4.6915 5.3981 5.4008 5.9490 5.9627 6.0034 6.0158 6.1743 6.1765 6.3399 6.3444 6.5447 6.5490 6.7074 6.7176 6.8794 6.8847 7.3064 7.3246 7.4144 7.4340 7.8226 7.8377 8.2630 8.2748 8.6692 8.6797 8.9538 8.9645 10.5363 10.5386 11.8384 11.8402 12.3376 12.3411 12.9594 12.9631 k = 0.5259-0.2042-2.8356 ( 6292 PWs) bands (ev): -2.0272 -2.0262 -1.2990 -1.2960 -0.9514 -0.9511 -0.6375 -0.6372 -0.3187 -0.3171 0.0460 0.0461 2.5956 2.5978 2.9195 2.9223 3.2725 3.2758 4.2858 4.2863 4.6860 4.6869 5.3947 5.3969 5.9680 5.9838 6.0022 6.0176 6.1727 6.1751 6.3752 6.3804 6.5472 6.5490 6.7437 6.7519 6.8846 6.8901 7.3435 7.3622 7.4303 7.4499 7.9000 7.9156 8.3126 8.3295 8.6762 8.6838 8.8783 8.8898 10.4792 10.4811 11.8009 11.8024 12.3216 12.3242 12.9418 12.9445 k = 0.5207-0.1532-2.8356 ( 6290 PWs) bands (ev): -2.0337 -2.0329 -1.3062 -1.3038 -0.9582 -0.9579 -0.6420 -0.6418 -0.3201 -0.3188 0.0506 0.0507 2.5864 2.5882 2.9102 2.9124 3.2624 3.2651 4.2800 4.2805 4.6824 4.6831 5.3917 5.3935 5.9793 5.9941 6.0062 6.0209 6.1697 6.1719 6.4077 6.4132 6.5470 6.5495 6.7794 6.7865 6.8884 6.8940 7.3516 7.3621 7.4743 7.4853 7.9752 7.9914 8.3539 8.3778 8.6766 8.6771 8.8131 8.8229 10.4297 10.4313 11.7685 11.7696 12.3078 12.3097 12.9230 12.9251 k = 0.5155-0.1022-2.8356 ( 6290 PWs) bands (ev): -2.0387 -2.0381 -1.3118 -1.3100 -0.9635 -0.9633 -0.6455 -0.6453 -0.3211 -0.3201 0.0542 0.0543 2.5793 2.5806 2.9030 2.9047 3.2546 3.2566 4.2756 4.2759 4.6795 4.6800 5.3894 5.3907 5.9852 5.9944 6.0159 6.0252 6.1665 6.1683 6.4347 6.4401 6.5461 6.5495 6.8116 6.8180 6.8917 6.8973 7.3458 7.3514 7.5187 7.5246 8.0450 8.0617 8.3875 8.4200 8.6485 8.6631 8.7703 8.7727 10.3894 10.3906 11.7421 11.7430 12.2965 12.2978 12.9060 12.9076 k = 0.5103-0.0513-2.8356 ( 6288 PWs) bands (ev): -2.0422 -2.0418 -1.3157 -1.3145 -0.9673 -0.9672 -0.6480 -0.6479 -0.3219 -0.3212 0.0568 0.0568 2.5743 2.5751 2.8979 2.8990 3.2492 3.2505 4.2724 4.2726 4.6774 4.6778 5.3877 5.3886 5.9881 5.9932 6.0238 6.0290 6.1638 6.1651 6.4552 6.4597 6.5455 6.5488 6.8370 6.8423 6.8956 6.9005 7.3371 7.3401 7.5535 7.5567 8.1056 8.1211 8.4162 8.4578 8.5975 8.6275 8.7491 8.7524 10.3595 10.3603 11.7226 11.7232 12.2881 12.2889 12.8928 12.8939 k = 0.5052-0.0003-2.8356 ( 6292 PWs) bands (ev): -2.0443 -2.0441 -1.3179 -1.3173 -0.9696 -0.9695 -0.6496 -0.6495 -0.3222 -0.3219 0.0583 0.0583 2.5713 2.5718 2.8949 2.8954 3.2460 3.2467 4.2705 4.2706 4.6762 4.6764 5.3868 5.3872 5.9897 5.9919 6.0289 6.0313 6.1622 6.1628 6.4685 6.4711 6.5455 6.5476 6.8529 6.8560 6.9003 6.9033 7.3303 7.3317 7.5757 7.5771 8.1506 8.1608 8.4462 8.4929 8.5415 8.5810 8.7432 8.7461 10.3412 10.3416 11.7108 11.7111 12.2829 12.2833 12.8847 12.8852 k = 0.5000 0.0507-2.8356 ( 6296 PWs) bands (ev): -2.0449 -2.0449 -1.3185 -1.3185 -0.9703 -0.9703 -0.6500 -0.6500 -0.3223 -0.3223 0.0588 0.0588 2.5705 2.5705 2.8941 2.8941 3.2452 3.2452 4.2699 4.2699 4.6759 4.6759 5.3866 5.3866 5.9908 5.9908 6.0314 6.0314 6.1618 6.1618 6.4740 6.4740 6.5463 6.5463 6.8591 6.8591 6.9036 6.9036 7.3282 7.3282 7.5837 7.5837 8.1713 8.1713 8.4846 8.4846 8.5376 8.5376 8.7434 8.7434 10.3351 10.3351 11.7069 11.7069 12.2813 12.2813 12.8821 12.8821 k = 0.5000 0.0507-2.8356 ( 6296 PWs) bands (ev): -2.0449 -2.0449 -1.3185 -1.3185 -0.9703 -0.9703 -0.6500 -0.6500 -0.3223 -0.3223 0.0588 0.0588 2.5705 2.5705 2.8941 2.8941 3.2452 3.2452 4.2699 4.2699 4.6759 4.6759 5.3866 5.3866 5.9908 5.9908 6.0314 6.0314 6.1618 6.1618 6.4740 6.4740 6.5463 6.5463 6.8591 6.8591 6.9036 6.9036 7.3282 7.3282 7.5837 7.5837 8.1713 8.1713 8.4846 8.4846 8.5376 8.5376 8.7434 8.7434 10.3351 10.3351 11.7069 11.7069 12.2813 12.2813 12.8821 12.8821 k = 0.5414 0.0549-2.8283 ( 6291 PWs) bands (ev): -2.0450 -2.0450 -1.3183 -1.3183 -0.9708 -0.9708 -0.6496 -0.6495 -0.3225 -0.3223 0.0587 0.0588 2.5699 2.5700 2.8945 2.8950 3.2461 3.2467 4.2616 4.2625 4.6841 4.6849 5.3863 5.3864 5.9888 5.9901 6.0311 6.0311 6.1607 6.1621 6.4747 6.4748 6.5421 6.5426 6.8635 6.8640 6.9020 6.9021 7.3281 7.3286 7.5857 7.5857 8.1695 8.1698 8.4819 8.4821 8.5376 8.5378 8.7462 8.7463 10.3351 10.3352 11.7065 11.7065 12.2801 12.2804 12.8841 12.8851 k = 0.5828 0.0591-2.8209 ( 6290 PWs) bands (ev): -2.0451 -2.0451 -1.3180 -1.3178 -0.9723 -0.9721 -0.6483 -0.6479 -0.3230 -0.3226 0.0584 0.0586 2.5683 2.5684 2.8963 2.8972 3.2492 3.2506 4.2399 4.2415 4.7078 4.7090 5.3854 5.3856 5.9839 5.9862 6.0304 6.0304 6.1591 6.1617 6.4767 6.4771 6.5308 6.5318 6.8761 6.8771 6.8971 6.8975 7.3284 7.3294 7.5916 7.5916 8.1646 8.1651 8.4735 8.4739 8.5388 8.5390 8.7540 8.7541 10.3352 10.3353 11.7052 11.7053 12.2768 12.2773 12.8909 12.8929 k = 0.6241 0.0633-2.8135 ( 6288 PWs) bands (ev): -2.0454 -2.0453 -1.3173 -1.3171 -0.9746 -0.9744 -0.6461 -0.6456 -0.3238 -0.3232 0.0580 0.0583 2.5659 2.5660 2.8993 2.9005 3.2547 3.2566 4.2090 4.2111 4.7425 4.7441 5.3840 5.3843 5.9753 5.9786 6.0293 6.0294 6.1579 6.1614 6.4796 6.4804 6.5148 6.5165 6.8876 6.8890 6.8969 6.8975 7.3289 7.3303 7.6010 7.6011 8.1570 8.1577 8.4597 8.4600 8.5422 8.5425 8.7653 8.7654 10.3354 10.3356 11.7032 11.7033 12.2719 12.2725 12.9022 12.9051 k = 0.6655 0.0675-2.8061 ( 6288 PWs) bands (ev): -2.0457 -2.0456 -1.3164 -1.3161 -0.9776 -0.9773 -0.6431 -0.6425 -0.3248 -0.3240 0.0575 0.0579 2.5628 2.5630 2.9031 2.9047 3.2621 3.2646 4.1732 4.1755 4.7839 4.7856 5.3822 5.3826 5.9626 5.9665 6.0281 6.0282 6.1580 6.1622 6.4800 6.4816 6.4992 6.5016 6.8787 6.8791 6.9195 6.9202 7.3295 7.3313 7.6134 7.6135 8.1472 8.1481 8.4415 8.4418 8.5479 8.5481 8.7786 8.7788 10.3357 10.3359 11.7006 11.7008 12.2656 12.2664 12.9173 12.9208 k = 0.6655 0.0675-2.8061 ( 6288 PWs) bands (ev): -2.0457 -2.0456 -1.3164 -1.3161 -0.9776 -0.9773 -0.6431 -0.6425 -0.3248 -0.3240 0.0575 0.0579 2.5628 2.5630 2.9031 2.9047 3.2621 3.2646 4.1732 4.1755 4.7839 4.7856 5.3822 5.3826 5.9626 5.9665 6.0281 6.0282 6.1580 6.1622 6.4800 6.4816 6.4992 6.5016 6.8787 6.8791 6.9195 6.9202 7.3295 7.3313 7.6134 7.6135 8.1472 8.1481 8.4415 8.4418 8.5479 8.5481 8.7786 8.7788 10.3357 10.3359 11.7006 11.7008 12.2656 12.2664 12.9173 12.9208 k = 0.6625 0.0672-2.7546 ( 6292 PWs) bands (ev): -2.0529 -2.0526 -1.3181 -1.3170 -0.9776 -0.9772 -0.6503 -0.6499 -0.3237 -0.3230 0.0533 0.0536 2.5689 2.5694 2.9070 2.9096 3.2717 3.2748 4.1792 4.1814 4.7779 4.7794 5.3804 5.3814 5.9693 5.9734 6.0300 6.0301 6.1573 6.1611 6.4839 6.4851 6.5131 6.5138 6.8818 6.8829 6.8954 6.8961 7.3333 7.3355 7.6100 7.6101 8.1606 8.1613 8.4468 8.4470 8.5428 8.5428 8.7742 8.7744 10.3358 10.3359 11.7018 11.7022 12.2706 12.2712 12.9215 12.9235 k = 0.6595 0.0669-2.7030 ( 6294 PWs) bands (ev): -2.0681 -2.0676 -1.3204 -1.3186 -0.9805 -0.9800 -0.6623 -0.6622 -0.3224 -0.3218 0.0439 0.0441 2.5822 2.5830 2.9188 2.9223 3.2877 3.2915 4.1920 4.1941 4.7698 4.7712 5.3790 5.3804 5.9778 5.9821 6.0336 6.0338 6.1544 6.1580 6.4868 6.4874 6.5276 6.5288 6.8743 6.8747 6.8882 6.8891 7.3391 7.3416 7.6072 7.6072 8.1737 8.1741 8.4514 8.4515 8.5390 8.5390 8.7699 8.7701 10.3367 10.3367 11.7058 11.7064 12.2761 12.2766 12.9260 12.9264 k = 0.6565 0.0666-2.6515 ( 6290 PWs) bands (ev): -2.0909 -2.0901 -1.3237 -1.3213 -0.9863 -0.9856 -0.6787 -0.6787 -0.3212 -0.3206 0.0296 0.0296 2.6025 2.6037 2.9383 2.9428 3.3102 3.3146 4.2112 4.2131 4.7604 4.7618 5.3777 5.3796 5.9880 5.9927 6.0390 6.0391 6.1494 6.1529 6.4902 6.4906 6.5389 6.5418 6.8610 6.8620 6.8944 6.8947 7.3466 7.3493 7.6048 7.6048 8.1858 8.1859 8.4551 8.4552 8.5370 8.5371 8.7659 8.7661 10.3382 10.3383 11.7126 11.7135 12.2820 12.2823 12.9292 12.9306 k = 0.6535 0.0663-2.5999 ( 6292 PWs) bands (ev): -2.1206 -2.1196 -1.3285 -1.3253 -0.9952 -0.9943 -0.6986 -0.6986 -0.3205 -0.3200 0.0105 0.0105 2.6298 2.6313 2.9651 2.9704 3.3390 3.3440 4.2359 4.2378 4.7506 4.7520 5.3764 5.3785 6.0001 6.0051 6.0461 6.0462 6.1426 6.1463 6.4948 6.4949 6.5448 6.5490 6.8564 6.8583 6.9018 6.9019 7.3558 7.3585 7.6030 7.6030 8.1959 8.1965 8.4580 8.4583 8.5372 8.5373 8.7624 8.7626 10.3406 10.3408 11.7222 11.7234 12.2884 12.2884 12.9319 12.9351 k = 0.6505 0.0660-2.5484 ( 6286 PWs) bands (ev): -2.1566 -2.1554 -1.3353 -1.3313 -1.0078 -1.0064 -0.7206 -0.7205 -0.3211 -0.3207 -0.0128 -0.0126 2.6638 2.6656 2.9986 3.0047 3.3741 3.3797 4.2652 4.2670 4.7418 4.7433 5.3746 5.3769 6.0138 6.0193 6.0548 6.0548 6.1346 6.1388 6.5002 6.5003 6.5433 6.5482 6.8628 6.8652 6.9103 6.9104 7.3666 7.3693 7.6017 7.6018 8.2038 8.2051 8.4601 8.4607 8.5401 8.5402 8.7596 8.7598 10.3438 10.3442 11.7347 11.7362 12.2948 12.2950 12.9344 12.9395 k = 0.6475 0.0657-2.4968 ( 6280 PWs) bands (ev): -2.1981 -2.1967 -1.3446 -1.3398 -1.0245 -1.0226 -0.7432 -0.7429 -0.3239 -0.3235 -0.0394 -0.0390 2.7043 2.7064 3.0382 3.0450 3.4155 3.4215 4.2977 4.2995 4.7355 4.7372 5.3723 5.3746 6.0285 6.0348 6.0648 6.0651 6.1264 6.1318 6.5057 6.5061 6.5346 6.5398 6.8802 6.8826 6.9199 6.9199 7.3789 7.3815 7.6010 7.6011 8.2091 8.2112 8.4612 8.4620 8.5462 8.5462 8.7578 8.7580 10.3481 10.3485 11.7500 11.7517 12.3013 12.3019 12.9366 12.9438 k = 0.6445 0.0654-2.4452 ( 6272 PWs) bands (ev): -2.2445 -2.2429 -1.3569 -1.3514 -1.0458 -1.0433 -0.7650 -0.7643 -0.3298 -0.3294 -0.0684 -0.0677 2.7510 2.7535 3.0832 3.0905 3.4628 3.4692 4.3317 4.3335 4.7335 4.7356 5.3694 5.3717 6.0425 6.0500 6.0757 6.0763 6.1204 6.1276 6.5057 6.5061 6.5262 6.5301 6.9067 6.9090 6.9307 6.9307 7.3927 7.3951 7.6009 7.6009 8.2118 8.2148 8.4611 8.4621 8.5557 8.5558 8.7573 8.7576 10.3533 10.3539 11.7681 11.7701 12.3077 12.3087 12.9383 12.9476 k = 0.6414 0.0651-2.3937 ( 6271 PWs) bands (ev): -2.2951 -2.2933 -1.3730 -1.3667 -1.0718 -1.0686 -0.7848 -0.7838 -0.3397 -0.3392 -0.0986 -0.0978 2.8036 2.8064 3.1328 3.1405 3.5158 3.5226 4.3651 4.3669 4.7381 4.7405 5.3662 5.3683 6.0520 6.0606 6.0873 6.0876 6.1221 6.1304 6.4876 6.4897 6.5314 6.5330 6.9382 6.9394 6.9444 6.9451 7.4078 7.4099 7.6014 7.6014 8.2121 8.2159 8.4594 8.4605 8.5690 8.5693 8.7584 8.7587 10.3597 10.3603 11.7888 11.7912 12.3140 12.3154 12.9390 12.9506 k = 0.6384 0.0648-2.3421 ( 6275 PWs) bands (ev): -2.3492 -2.3472 -1.3931 -1.3862 -1.1022 -1.0985 -0.8019 -0.8005 -0.3544 -0.3540 -0.1290 -0.1279 2.8618 2.8649 3.1860 3.1940 3.5742 3.5812 4.3960 4.3977 4.7515 4.7542 5.3630 5.3648 6.0528 6.0606 6.1010 6.1011 6.1356 6.1431 6.4615 6.4636 6.5418 6.5428 6.9539 6.9539 6.9797 6.9812 7.4242 7.4258 7.6025 7.6025 8.2106 8.2152 8.4557 8.4569 8.5860 8.5866 8.7612 8.7615 10.3673 10.3680 11.8122 11.8149 12.3199 12.3218 12.9377 12.9520 k = 0.6354 0.0645-2.2906 ( 6288 PWs) bands (ev): -2.4062 -2.4041 -1.4180 -1.4104 -1.1363 -1.1322 -0.8161 -0.8144 -0.3746 -0.3742 -0.1584 -0.1571 2.9252 2.9287 3.2418 3.2499 3.6372 3.6444 4.4232 4.4247 4.7748 4.7778 5.3604 5.3619 6.0461 6.0526 6.1173 6.1175 6.1573 6.1638 6.4320 6.4336 6.5543 6.5550 6.9673 6.9673 7.0215 7.0227 7.4414 7.4426 7.6043 7.6043 8.2081 8.2135 8.4500 8.4511 8.6064 8.6072 8.7659 8.7663 10.3762 10.3770 11.8380 11.8412 12.3252 12.3276 12.9327 12.9500 k = 0.6324 0.0642-2.2390 ( 6286 PWs) bands (ev): -2.4656 -2.4634 -1.4478 -1.4398 -1.1733 -1.1689 -0.8278 -0.8257 -0.4005 -0.4000 -0.1862 -0.1846 2.9932 2.9972 3.2990 3.3071 3.7044 3.7117 4.4471 4.4483 4.8082 4.8114 5.3591 5.3603 6.0358 6.0417 6.1352 6.1355 6.1831 6.1895 6.4011 6.4017 6.5682 6.5687 6.9812 6.9812 7.0657 7.0668 7.4592 7.4600 7.6068 7.6069 8.2057 8.2117 8.4423 8.4434 8.6297 8.6308 8.7726 8.7730 10.3865 10.3874 11.8663 11.8699 12.3297 12.3327 12.9204 12.9411 k = 0.6294 0.0639-2.1875 ( 6285 PWs) bands (ev): -2.5269 -2.5246 -1.4827 -1.4745 -1.2121 -1.2078 -0.8373 -0.8351 -0.4316 -0.4309 -0.2120 -0.2104 3.0655 3.0700 3.3566 3.3641 3.7751 3.7823 4.4696 4.4705 4.8497 4.8531 5.3601 5.3609 6.0240 6.0298 6.1542 6.1547 6.2097 6.2174 6.3700 6.3711 6.5834 6.5839 6.9957 6.9958 7.1117 7.1126 7.4771 7.4773 7.6102 7.6102 8.2044 8.2110 8.4329 8.4339 8.6554 8.6566 8.7812 8.7816 10.3982 10.3993 11.8967 11.9009 12.3332 12.3367 12.8919 12.9106 k = 0.6264 0.0635-2.1359 ( 6284 PWs) bands (ev): -2.5897 -2.5873 -1.5226 -1.5144 -1.2523 -1.2482 -0.8454 -0.8431 -0.4668 -0.4658 -0.2363 -0.2346 3.1411 3.1463 3.4131 3.4198 3.8484 3.8554 4.4937 4.4943 4.8968 4.9003 5.3642 5.3647 6.0115 6.0181 6.1741 6.1749 6.2318 6.2429 6.3431 6.3474 6.5998 6.6002 7.0107 7.0107 7.1588 7.1596 7.4941 7.4944 7.6144 7.6145 8.2054 8.2125 8.4220 8.4229 8.6829 8.6842 8.7916 8.7920 10.4115 10.4127 11.9292 11.9339 12.3352 12.3396 12.8360 12.8458 k = 0.6234 0.0632-2.0843 ( 6287 PWs) bands (ev): -2.6536 -2.6511 -1.5672 -1.5591 -1.2932 -1.2896 -0.8530 -0.8505 -0.5046 -0.5034 -0.2595 -0.2579 3.2187 3.2248 3.4677 3.4730 3.9238 3.9302 4.5225 4.5228 4.9464 4.9500 5.3724 5.3727 5.9990 6.0069 6.1944 6.1959 6.2382 6.2528 6.3347 6.3424 6.6174 6.6177 7.0260 7.0261 7.2069 7.2076 7.5096 7.5104 7.6197 7.6197 8.2096 8.2172 8.4099 8.4107 8.7117 8.7131 8.8038 8.8041 10.4265 10.4277 11.9634 11.9687 12.3353 12.3407 12.7653 12.7719 k = 0.6204 0.0629-2.0328 ( 6275 PWs) bands (ev): -2.7183 -2.7157 -1.6159 -1.6081 -1.3350 -1.3319 -0.8610 -0.8584 -0.5436 -0.5420 -0.2820 -0.2805 3.2960 3.3034 3.5206 3.5238 4.0004 4.0061 4.5587 4.5588 4.9958 4.9996 5.3856 5.3857 5.9863 5.9961 6.2114 6.2170 6.2281 6.2389 6.3550 6.3616 6.6359 6.6363 7.0416 7.0416 7.2556 7.2564 7.5231 7.5243 7.6260 7.6261 8.2180 8.2259 8.3971 8.3978 8.7415 8.7429 8.8175 8.8179 10.4430 10.4444 11.9991 12.0050 12.3329 12.3395 12.6893 12.6946 k = 0.6174 0.0626-1.9812 ( 6279 PWs) bands (ev): -2.7834 -2.7807 -1.6680 -1.6606 -1.3775 -1.3751 -0.8706 -0.8679 -0.5819 -0.5800 -0.3043 -0.3028 3.3689 3.3779 3.5738 3.5744 4.0779 4.0825 4.6040 4.6044 5.0427 5.0465 5.4042 5.4043 5.9727 5.9850 6.1990 6.2157 6.2410 6.2412 6.3889 6.3938 6.6554 6.6557 7.0572 7.0572 7.3050 7.3058 7.5339 7.5356 7.6336 7.6337 8.2313 8.2394 8.3841 8.3847 8.7719 8.7733 8.8328 8.8330 10.4612 10.4627 12.0359 12.0425 12.3270 12.3351 12.6103 12.6149 k = 0.6144 0.0623-1.9297 ( 6279 PWs) bands (ev): -2.8487 -2.8460 -1.7230 -1.7160 -1.4209 -1.4192 -0.8833 -0.8805 -0.6178 -0.6156 -0.3264 -0.3251 3.4304 3.4409 3.6308 3.6327 4.1558 4.1593 4.6595 4.6602 5.0854 5.0892 5.4281 5.4285 5.9571 5.9717 6.1830 6.1997 6.2630 6.2632 6.4275 6.4313 6.6757 6.6760 7.0728 7.0728 7.3550 7.3559 7.5418 7.5438 7.6426 7.6428 8.2498 8.2579 8.3715 8.3719 8.8026 8.8039 8.8494 8.8495 10.4811 10.4827 12.0734 12.0805 12.3162 12.3261 12.5293 12.5336 k = 0.6113 0.0620-1.8781 ( 6273 PWs) bands (ev): -2.9140 -2.9112 -1.7800 -1.7735 -1.4653 -1.4641 -0.9005 -0.8977 -0.6496 -0.6471 -0.3483 -0.3472 3.4741 3.4845 3.6998 3.7031 4.2341 4.2363 4.7247 4.7257 5.1230 5.1267 5.4567 5.4577 5.9379 5.9542 6.1781 6.1945 6.2854 6.2859 6.4683 6.4713 6.6967 6.6970 7.0883 7.0883 7.4054 7.4066 7.5464 7.5489 7.6531 7.6533 8.2729 8.2805 8.3605 8.3606 8.8335 8.8345 8.8673 8.8674 10.5027 10.5043 12.1111 12.1186 12.2991 12.3112 12.4468 12.4511 k = 0.6083 0.0617-1.8266 ( 6267 PWs) bands (ev): -2.9790 -2.9762 -1.8386 -1.8325 -1.5107 -1.5101 -0.9236 -0.9209 -0.6758 -0.6732 -0.3699 -0.3690 3.4987 3.5078 3.7824 3.7858 4.3124 4.3134 4.7982 4.7995 5.1551 5.1587 5.4896 5.4913 5.9147 5.9314 6.1887 6.2036 6.3078 6.3085 6.5104 6.5129 6.7182 6.7186 7.1037 7.1037 7.4562 7.4579 7.5481 7.5512 7.6653 7.6655 8.2972 8.3033 8.3540 8.3557 8.8642 8.8648 8.8863 8.8870 10.5259 10.5276 12.1482 12.1553 12.2746 12.2893 12.3639 12.3682 k = 0.6053 0.0614-1.7750 ( 6271 PWs) bands (ev): -3.0436 -3.0407 -1.8983 -1.8926 -1.5570 -1.5569 -0.9530 -0.9506 -0.6962 -0.6935 -0.3910 -0.3903 3.5080 3.5154 3.8743 3.8772 4.3905 4.3906 4.8779 4.8792 5.1818 5.1853 5.5267 5.5292 5.8885 5.9047 6.2152 6.2279 6.3298 6.3306 6.5534 6.5553 6.7402 6.7406 7.1189 7.1190 7.5048 7.5084 7.5487 7.5536 7.6793 7.6795 8.3110 8.3133 8.3642 8.3697 8.8938 8.8944 8.9070 8.9088 10.5507 10.5525 12.1813 12.1863 12.2433 12.2594 12.2851 12.2873 k = 0.6023 0.0611-1.7234 ( 6270 PWs) bands (ev): -3.1075 -3.1047 -1.9586 -1.9532 -1.6045 -1.6042 -0.9881 -0.9860 -0.7114 -0.7087 -0.4114 -0.4109 3.5060 3.5118 3.9713 3.9738 4.4670 4.4680 4.9604 4.9614 5.2039 5.2074 5.5694 5.5726 5.8614 5.8768 6.2559 6.2661 6.3512 6.3521 6.5972 6.5986 6.7625 6.7629 7.1341 7.1343 7.5320 7.5352 7.5716 7.5762 7.6951 7.6953 8.3090 8.3095 8.3960 8.4032 8.9198 8.9218 8.9314 8.9347 10.5771 10.5789 12.1722 12.1826 12.1996 12.2160 12.2365 12.2624 k = 0.5993 0.0608-1.6719 ( 6273 PWs) bands (ev): -3.1707 -3.1678 -2.0191 -2.0141 -1.6527 -1.6521 -1.0278 -1.0260 -0.7229 -0.7203 -0.4305 -0.4303 3.4958 3.5001 4.0705 4.0725 4.5426 4.5442 5.0400 5.0404 5.2247 5.2283 5.6194 5.6234 5.8357 5.8503 6.3077 6.3154 6.3716 6.3727 6.6420 6.6428 6.7847 6.7852 7.1494 7.1496 7.5311 7.5320 7.6242 7.6263 7.7128 7.7130 8.3028 8.3029 8.4374 8.4448 8.9432 8.9452 8.9609 8.9641 10.6049 10.6068 12.1006 12.1046 12.1602 12.1639 12.2661 12.2860 k = 0.5963 0.0605-1.6203 ( 6262 PWs) bands (ev): -3.2329 -3.2300 -2.0796 -2.0749 -1.7014 -1.7006 -1.0707 -1.0691 -0.7324 -0.7298 -0.4482 -0.4482 3.4795 3.4825 4.1694 4.1711 4.6164 4.6183 5.1046 5.1051 5.2546 5.2583 5.6781 5.6833 5.8139 5.8282 6.3659 6.3707 6.3923 6.3942 6.6882 6.6882 6.8069 6.8074 7.1650 7.1653 7.5246 7.5250 7.6809 7.6822 7.7325 7.7325 8.2969 8.2969 8.4830 8.4904 8.9660 8.9678 8.9923 8.9954 10.6340 10.6360 12.0187 12.0207 12.1132 12.1134 12.2991 12.3176 k = 0.5933 0.0602-1.5688 ( 6256 PWs) bands (ev): -3.2941 -3.2912 -2.1398 -2.1353 -1.7505 -1.7494 -1.1157 -1.1144 -0.7412 -0.7387 -0.4642 -0.4639 3.4586 3.4605 4.2658 4.2672 4.6874 4.6891 5.1409 5.1418 5.3081 5.3109 5.7415 5.7494 5.8021 5.8175 6.4029 6.4040 6.4370 6.4407 6.7360 6.7369 6.8286 6.8292 7.1813 7.1817 7.5168 7.5170 7.7395 7.7401 7.7541 7.7546 8.2929 8.2930 8.5309 8.5382 8.9890 8.9906 9.0249 9.0278 10.6644 10.6664 11.9356 11.9370 12.0614 12.0621 12.3311 12.3491 k = 0.5903 0.0599-1.5172 ( 6261 PWs) bands (ev): -3.3541 -3.3512 -2.1994 -2.1952 -1.7997 -1.7984 -1.1620 -1.1609 -0.7505 -0.7479 -0.4780 -0.4773 3.4345 3.4354 4.3569 4.3580 4.7537 4.7548 5.1565 5.1578 5.3800 5.3811 5.7747 5.7751 5.8491 5.8551 6.4188 6.4198 6.5017 6.5034 6.7872 6.7893 6.8497 6.8503 7.1985 7.1990 7.5087 7.5091 7.7760 7.7764 7.8011 7.8025 8.2914 8.2915 8.5798 8.5870 9.0124 9.0138 9.0587 9.0616 10.6960 10.6980 11.8529 11.8540 12.0083 12.0090 12.3609 12.3788 k = 0.5873 0.0596-1.4657 ( 6261 PWs) bands (ev): -3.4129 -3.4100 -2.2583 -2.2543 -1.8488 -1.8475 -1.2089 -1.2080 -0.7608 -0.7583 -0.4892 -0.4883 3.4080 3.4081 4.4390 4.4397 4.8126 4.8128 5.1702 5.1722 5.4539 5.4552 5.7777 5.7798 5.9403 5.9415 6.4310 6.4321 6.5648 6.5650 6.8434 6.8469 6.8700 6.8705 7.2170 7.2176 7.5017 7.5023 7.8008 7.8010 7.8638 7.8651 8.2930 8.2932 8.6287 8.6357 9.0361 9.0375 9.0943 9.0971 10.7285 10.7306 11.7711 11.7722 11.9549 11.9554 12.3881 12.4058 k = 0.5843 0.0593-1.4141 ( 6249 PWs) bands (ev): -3.4702 -3.4674 -2.3163 -2.3125 -1.8977 -1.8963 -1.2562 -1.2554 -0.7728 -0.7702 -0.4978 -0.4968 3.3793 3.3799 4.5071 4.5073 4.8612 4.8620 5.1960 5.1985 5.5182 5.5225 5.7937 5.7943 6.0432 6.0434 6.4402 6.4413 6.6214 6.6233 6.8874 6.8894 6.9076 6.9108 7.2371 7.2378 7.4967 7.4976 7.8267 7.8267 7.9285 7.9297 8.2980 8.2983 8.6765 8.6834 9.0601 9.0614 9.1319 9.1346 10.7619 10.7640 11.6908 11.6919 11.9016 11.9018 12.4119 12.4292 k = 0.5813 0.0590-1.3625 ( 6244 PWs) bands (ev): -3.5262 -3.5234 -2.3733 -2.3697 -1.9462 -1.9447 -1.3033 -1.3026 -0.7864 -0.7839 -0.5039 -0.5027 3.3495 3.3508 4.5546 4.5550 4.9023 4.9039 5.2407 5.2431 5.5660 5.5738 5.8296 5.8313 6.1536 6.1544 6.4464 6.4475 6.6721 6.6751 6.9053 6.9070 6.9754 6.9801 7.2590 7.2598 7.4955 7.4968 7.8536 7.8537 7.9947 7.9959 8.3069 8.3072 8.7226 8.7293 9.0843 9.0857 9.1722 9.1748 10.7960 10.7981 11.6122 11.6133 11.8488 11.8491 12.4318 12.4484 k = 0.5782 0.0587-1.3110 ( 6251 PWs) bands (ev): -3.5806 -3.5779 -2.4290 -2.4256 -1.9940 -1.9926 -1.3501 -1.3495 -0.8017 -0.7992 -0.5078 -0.5065 3.3193 3.3211 4.5769 4.5777 4.9434 4.9452 5.3027 5.3041 5.5973 5.6080 5.8878 5.8910 6.2699 6.2710 6.4495 6.4507 6.7176 6.7214 6.9211 6.9228 7.0466 7.0521 7.2830 7.2838 7.5004 7.5022 7.8813 7.8816 8.0621 8.0633 8.3199 8.3203 8.7664 8.7729 9.1088 9.1101 9.2153 9.2177 10.8306 10.8328 11.5355 11.5367 11.7969 11.7976 12.4469 12.4620 k = 0.5752 0.0584-1.2594 ( 6241 PWs) bands (ev): -3.6334 -3.6308 -2.4835 -2.4802 -2.0412 -2.0397 -1.3962 -1.3957 -0.8184 -0.8160 -0.5097 -0.5083 3.2891 3.2914 4.5746 4.5758 4.9901 4.9917 5.3738 5.3743 5.6212 5.6342 5.9621 5.9660 6.3891 6.3903 6.4497 6.4509 6.7605 6.7647 6.9350 6.9368 7.1163 7.1222 7.3089 7.3097 7.5150 7.5172 7.9098 7.9102 8.1302 8.1314 8.3372 8.3377 8.8077 8.8139 9.1333 9.1346 9.2614 9.2637 10.8655 10.8678 11.4611 11.4624 11.7462 11.7473 12.4564 12.4656 k = 0.5722 0.0581-1.2079 ( 6245 PWs) bands (ev): -3.6846 -3.6820 -2.5365 -2.5334 -2.0874 -2.0860 -1.4417 -1.4412 -0.8362 -0.8339 -0.5101 -0.5087 3.2591 3.2619 4.5532 4.5547 5.0427 5.0439 5.4408 5.4437 5.6507 5.6659 6.0446 6.0485 6.4466 6.4476 6.5081 6.5094 6.8049 6.8091 6.9470 6.9489 7.1788 7.1848 7.3368 7.3376 7.5437 7.5463 7.9388 7.9394 8.1983 8.1995 8.3591 8.3597 8.8465 8.8525 9.1578 9.1590 9.3105 9.3126 10.9006 10.9029 11.3891 11.3905 11.6970 11.6984 12.4287 12.4390 k = 0.5692 0.0577-1.1563 ( 6245 PWs) bands (ev): -3.7341 -3.7315 -2.5880 -2.5851 -2.1326 -2.1312 -1.4861 -1.4857 -0.8548 -0.8527 -0.5092 -0.5079 3.2296 3.2328 4.5191 4.5209 5.0988 5.0996 5.4929 5.4971 5.6998 5.7158 6.1296 6.1335 6.4412 6.4422 6.6202 6.6207 6.8579 6.8615 6.9570 6.9591 7.2297 7.2354 7.3663 7.3671 7.5906 7.5931 7.9684 7.9691 8.2657 8.2668 8.3856 8.3861 8.8834 8.8891 9.1822 9.1835 9.3624 9.3642 10.9354 10.9377 11.3197 11.3212 11.6493 11.6511 12.3907 12.4024 k = 0.5662 0.0574-1.1048 ( 6257 PWs) bands (ev): -3.7817 -3.7792 -2.6379 -2.6352 -2.1767 -2.1753 -1.5296 -1.5292 -0.8740 -0.8720 -0.5076 -0.5062 3.2009 3.2045 4.4773 4.4794 5.1563 5.1569 5.5253 5.5289 5.7727 5.7876 6.2134 6.2173 6.4333 6.4343 6.7158 6.7167 6.9289 6.9314 6.9651 6.9678 7.2692 7.2741 7.3973 7.3981 7.6556 7.6578 7.9984 7.9992 8.3313 8.3324 8.4167 8.4172 8.9190 8.9244 9.2064 9.2077 9.4165 9.4182 10.9697 10.9721 11.2530 11.2546 11.6033 11.6055 12.3507 12.3629 k = 0.5632 0.0571-1.0532 ( 6247 PWs) bands (ev): -3.8276 -3.8251 -2.6861 -2.6835 -2.2194 -2.2181 -1.5718 -1.5714 -0.8934 -0.8915 -0.5053 -0.5040 3.1731 3.1770 4.4310 4.4334 5.2142 5.2144 5.5447 5.5472 5.8601 5.8735 6.2931 6.2970 6.4235 6.4244 6.7906 6.7929 6.9710 6.9724 7.0236 7.0244 7.3027 7.3066 7.4293 7.4301 7.7346 7.7366 8.0288 8.0298 8.3941 8.3950 8.4523 8.4527 8.9541 8.9592 9.2304 9.2317 9.4726 9.4740 11.0031 11.0056 11.1893 11.1910 11.5590 11.5616 12.3076 12.3200 k = 0.5602 0.0568-1.0017 ( 6247 PWs) bands (ev): -3.8716 -3.8692 -2.7326 -2.7301 -2.2608 -2.2596 -1.6127 -1.6123 -0.9129 -0.9111 -0.5027 -0.5014 3.1464 3.1505 4.3823 4.3850 5.2713 5.2713 5.5584 5.5600 5.9519 5.9642 6.3654 6.3695 6.4129 6.4135 6.8536 6.8567 6.9754 6.9772 7.1260 7.1279 7.3408 7.3436 7.4622 7.4629 7.8227 7.8244 8.0596 8.0606 8.4530 8.4536 8.4924 8.4926 8.9897 8.9944 9.2541 9.2554 9.5302 9.5314 11.0350 11.0376 11.1286 11.1304 11.5165 11.5194 12.2605 12.2725 k = 0.5572 0.0565-0.9501 ( 6245 PWs) bands (ev): -3.9136 -3.9113 -2.7772 -2.7748 -2.3007 -2.2996 -1.6522 -1.6519 -0.9322 -0.9306 -0.4999 -0.4987 3.1208 3.1252 4.3326 4.3355 5.3267 5.3269 5.5709 5.5721 6.0417 6.0531 6.3948 6.3966 6.4362 6.4389 6.9149 6.9183 6.9781 6.9802 7.2158 7.2189 7.4017 7.4031 7.4956 7.4962 7.9157 7.9173 8.0907 8.0918 8.5069 8.5074 8.5366 8.5368 9.0265 9.0309 9.2773 9.2787 9.5889 9.5899 11.0623 11.0652 11.0735 11.0751 11.4758 11.4791 12.2086 12.2199 k = 0.5542 0.0562-0.8985 ( 6239 PWs) bands (ev): -3.9537 -3.9515 -2.8199 -2.8177 -2.3391 -2.3380 -1.6902 -1.6899 -0.9512 -0.9497 -0.4971 -0.4959 3.0965 3.1011 4.2830 4.2861 5.3793 5.3797 5.5852 5.5861 6.1243 6.1350 6.3819 6.3832 6.4939 6.4966 6.9744 6.9763 6.9862 6.9871 7.2769 7.2804 7.4993 7.5002 7.5291 7.5297 8.0108 8.0123 8.1219 8.1232 8.5556 8.5563 8.5841 8.5848 9.0652 9.0690 9.3001 9.3015 9.6484 9.6492 11.0153 11.0175 11.0930 11.0955 11.4370 11.4406 12.1515 12.1618 k = 0.5512 0.0559-0.8470 ( 6238 PWs) bands (ev): -3.9919 -3.9897 -2.8606 -2.8585 -2.3758 -2.3747 -1.7266 -1.7263 -0.9697 -0.9683 -0.4943 -0.4932 3.0735 3.0782 4.2340 4.2373 5.4275 5.4282 5.6036 5.6045 6.1950 6.2050 6.3669 6.3681 6.5486 6.5507 6.9780 6.9794 7.0514 7.0533 7.3215 7.3248 7.5624 7.5629 7.6223 7.6231 8.1054 8.1072 8.1532 8.1548 8.5997 8.6008 8.6342 8.6354 9.1056 9.1089 9.3223 9.3238 9.7085 9.7090 10.9636 10.9658 11.1165 11.1189 11.4004 11.4043 12.0895 12.0986 k = 0.5482 0.0556-0.7954 ( 6228 PWs) bands (ev): -4.0280 -4.0259 -2.8993 -2.8974 -2.4107 -2.4098 -1.7614 -1.7611 -0.9877 -0.9864 -0.4917 -0.4907 3.0519 3.0567 4.1863 4.1897 5.4691 5.4700 5.6289 5.6299 6.2502 6.2592 6.3514 6.3525 6.6023 6.6034 6.9763 6.9778 7.1228 7.1241 7.3661 7.3689 7.5954 7.5958 7.7559 7.7567 8.1838 8.1840 8.2004 8.2005 8.6397 8.6408 8.6872 8.6888 9.1475 9.1503 9.3439 9.3454 9.7688 9.7692 10.9146 10.9168 11.1349 11.1372 11.3667 11.3707 12.0232 12.0310 k = 0.5451 0.0553-0.7439 ( 6224 PWs) bands (ev): -4.0620 -4.0601 -2.9359 -2.9341 -2.4439 -2.4430 -1.7943 -1.7940 -1.0050 -1.0038 -0.4893 -0.4884 3.0317 3.0365 4.1403 4.1438 5.5027 5.5037 5.6626 5.6636 6.2877 6.2954 6.3364 6.3374 6.6562 6.6562 6.9735 6.9750 7.1927 7.1931 7.4196 7.4218 7.6276 7.6280 7.8937 7.8944 8.2149 8.2158 8.2880 8.2889 8.6767 8.6775 8.7433 8.7449 9.1900 9.1921 9.3648 9.3664 9.8293 9.8295 10.8681 10.8704 11.1462 11.1480 11.3372 11.3410 11.9536 11.9601 k = 0.5421 0.0550-0.6923 ( 6219 PWs) bands (ev): -4.0940 -4.0921 -2.9704 -2.9687 -2.4751 -2.4743 -1.8255 -1.8252 -1.0215 -1.0203 -0.4872 -0.4863 3.0128 3.0177 4.0963 4.0998 5.5289 5.5300 5.7038 5.7049 6.3051 6.3093 6.3267 6.3283 6.7080 6.7091 6.9698 6.9712 7.2581 7.2585 7.4858 7.4874 7.6589 7.6592 8.0327 8.0333 8.2449 8.2460 8.3701 8.3709 8.7131 8.7133 8.8021 8.8037 9.2320 9.2336 9.3851 9.3868 9.8896 9.8897 10.8239 10.8264 11.1475 11.1485 11.3141 11.3172 11.8818 11.8870 k = 0.5391 0.0547-0.6408 ( 6214 PWs) bands (ev): -4.1238 -4.1221 -3.0027 -3.0012 -2.5045 -2.5038 -1.8548 -1.8545 -1.0371 -1.0361 -0.4852 -0.4844 2.9954 3.0003 4.0545 4.0581 5.5501 5.5512 5.7500 5.7511 6.2983 6.2987 6.3280 6.3323 6.7559 6.7580 6.9654 6.9668 7.3198 7.3207 7.5639 7.5652 7.6891 7.6893 8.1711 8.1714 8.2740 8.2751 8.4430 8.4431 8.7515 8.7522 8.8633 8.8647 9.2726 9.2735 9.4048 9.4066 9.9493 9.9494 10.7817 10.7841 11.1359 11.1363 11.2992 11.3011 11.8091 11.8131 k = 0.5361 0.0544-0.5892 ( 6211 PWs) bands (ev): -4.1515 -4.1499 -3.0328 -3.0314 -2.5319 -2.5312 -1.8821 -1.8818 -1.0518 -1.0509 -0.4836 -0.4828 2.9794 2.9841 4.0153 4.0188 5.5686 5.5696 5.7987 5.7998 6.2840 6.2841 6.3277 6.3319 6.7977 6.8004 6.9606 6.9618 7.3805 7.3818 7.6507 7.6518 7.7179 7.7181 8.3010 8.3030 8.3066 8.3083 8.5025 8.5039 8.7956 8.7976 8.9264 8.9276 9.3107 9.3109 9.4238 9.4257 10.0078 10.0081 10.7408 10.7433 11.1105 11.1124 11.2918 11.2924 11.7366 11.7397 k = 0.5331 0.0541-0.5376 ( 6217 PWs) bands (ev): -4.1771 -4.1756 -3.0607 -3.0593 -2.5572 -2.5566 -1.9074 -1.9072 -1.0656 -1.0647 -0.4822 -0.4815 2.9648 2.9694 3.9787 3.9821 5.5856 5.5866 5.8479 5.8491 6.2692 6.2695 6.3218 6.3255 6.8319 6.8349 6.9554 6.9565 7.4419 7.4434 7.7422 7.7431 7.7455 7.7455 8.3282 8.3293 8.4348 8.4388 8.5487 8.5541 8.8478 8.8515 8.9909 8.9918 9.3453 9.3459 9.4424 9.4445 10.0645 10.0651 10.7008 10.7033 11.0752 11.0782 11.2884 11.2888 11.6658 11.6679 k = 0.5301 0.0538-0.4861 ( 6224 PWs) bands (ev): -4.2005 -4.1992 -3.0862 -3.0850 -2.5805 -2.5800 -1.9307 -1.9305 -1.0783 -1.0775 -0.4810 -0.4804 2.9516 2.9560 3.9449 3.9482 5.6021 5.6030 5.8965 5.8977 6.2549 6.2553 6.3115 6.3147 6.8585 6.8617 6.9501 6.9511 7.5043 7.5058 7.7707 7.7709 7.8360 7.8371 8.3528 8.3540 8.5353 8.5479 8.5984 8.6135 8.9078 8.9135 9.0561 9.0567 9.3764 9.3778 9.4607 9.4630 10.1187 10.1194 10.6608 10.6633 11.0328 11.0366 11.2864 11.2874 11.5977 11.5991 k = 0.5271 0.0535-0.4345 ( 6222 PWs) bands (ev): -4.2217 -4.2205 -3.1094 -3.1083 -2.6017 -2.6012 -1.9519 -1.9517 -1.0899 -1.0893 -0.4800 -0.4795 2.9397 2.9439 3.9140 3.9172 5.6183 5.6191 5.9435 5.9446 6.2415 6.2419 6.2981 6.3009 6.8783 6.8814 6.9450 6.9458 7.5667 7.5680 7.7944 7.7945 7.9294 7.9307 8.3756 8.3767 8.5768 8.5853 8.7017 8.7140 8.9735 8.9816 9.1213 9.1214 9.4041 9.4067 9.4791 9.4816 10.1692 10.1702 10.6204 10.6228 10.9853 10.9895 11.2846 11.2859 11.5336 11.5344 k = 0.5241 0.0532-0.3830 ( 6222 PWs) bands (ev): -4.2408 -4.2397 -3.1302 -3.1292 -2.6207 -2.6203 -1.9709 -1.9707 -1.1004 -1.0998 -0.4793 -0.4788 2.9292 2.9330 3.8862 3.8891 5.6342 5.6349 5.9882 5.9892 6.2291 6.2295 6.2829 6.2853 6.8923 6.8951 6.9402 6.9407 7.6275 7.6286 7.8160 7.8161 8.0208 8.0222 8.3963 8.3972 8.5936 8.5994 8.8100 8.8209 9.0438 9.0547 9.1847 9.1851 9.4293 9.4331 9.4983 9.5010 10.2149 10.2162 10.5788 10.5811 10.9342 10.9387 11.2822 11.2838 11.4747 11.4750 k = 0.5211 0.0529-0.3314 ( 6216 PWs) bands (ev): -4.2576 -4.2566 -3.1486 -3.1478 -2.6376 -2.6372 -1.9878 -1.9877 -1.1098 -1.1093 -0.4786 -0.4782 2.9200 2.9235 3.8615 3.8642 5.6498 5.6504 6.0298 6.0308 6.2178 6.2182 6.2667 6.2688 6.9016 6.9040 6.9359 6.9361 7.6851 7.6861 7.8355 7.8356 8.1085 8.1102 8.4147 8.4156 8.6018 8.6064 8.9047 8.9152 9.1188 9.1323 9.2448 9.2458 9.4529 9.4583 9.5192 9.5222 10.2544 10.2560 10.5356 10.5378 10.8810 10.8856 11.2789 11.2806 11.4218 11.4220 k = 0.5181 0.0526-0.2799 ( 6224 PWs) bands (ev): -4.2721 -4.2713 -3.1646 -3.1639 -2.6523 -2.6520 -2.0025 -2.0024 -1.1179 -1.1175 -0.4782 -0.4778 2.9122 2.9152 3.8400 3.8424 5.6647 5.6653 6.0677 6.0686 6.2077 6.2081 6.2505 6.2522 6.9071 6.9089 6.9322 6.9325 7.7382 7.7390 7.8526 7.8527 8.1910 8.1929 8.4308 8.4316 8.6052 8.6093 8.9812 8.9908 9.1975 9.2129 9.2995 9.3011 9.4775 9.4847 9.5433 9.5465 10.2859 10.2878 10.4909 10.4928 10.8279 10.8326 11.2747 11.2764 11.3757 11.3760 k = 0.5150 0.0522-0.2283 ( 6220 PWs) bands (ev): -4.2845 -4.2838 -3.1782 -3.1776 -2.6647 -2.6645 -2.0150 -2.0149 -1.1249 -1.1245 -0.4778 -0.4775 2.9056 2.9082 3.8218 3.8239 5.6787 5.6792 6.1012 6.1019 6.1989 6.1993 6.2351 6.2364 6.9097 6.9109 6.9292 6.9299 7.7854 7.7860 7.8674 7.8675 8.2667 8.2688 8.4445 8.4453 8.6056 8.6094 9.0391 9.0471 9.2740 9.2902 9.3459 9.3482 9.5068 9.5158 9.5721 9.5754 10.3076 10.3098 10.4453 10.4469 10.7776 10.7822 11.2698 11.2713 11.3369 11.3374 k = 0.5120 0.0519-0.1767 ( 6216 PWs) bands (ev): -4.2946 -4.2940 -3.1893 -3.1889 -2.6749 -2.6747 -2.0253 -2.0251 -1.1306 -1.1303 -0.4776 -0.4773 2.9003 2.9025 3.8069 3.8086 5.6913 5.6916 6.1297 6.1302 6.1915 6.1918 6.2213 6.2223 6.9103 6.9108 6.9271 6.9280 7.8254 7.8260 7.8798 7.8798 8.3339 8.3361 8.4558 8.4564 8.6038 8.6073 9.0808 9.0869 9.3382 9.3537 9.3823 9.3851 9.5463 9.5557 9.6059 9.6089 10.3175 10.3198 10.4001 10.4015 10.7337 10.7380 11.2645 11.2659 11.3058 11.3063 k = 0.5090 0.0516-0.1252 ( 6236 PWs) bands (ev): -4.3024 -4.3020 -3.1980 -3.1976 -2.6829 -2.6827 -2.0332 -2.0332 -1.1350 -1.1348 -0.4774 -0.4772 2.8963 2.8979 3.7953 3.7966 5.7019 5.7021 6.1524 6.1526 6.1856 6.1858 6.2100 6.2105 6.9097 6.9099 6.9256 6.9266 7.8574 7.8578 7.8897 7.8897 8.3907 8.3929 8.4646 8.4652 8.6003 8.6035 9.1093 9.1136 9.3836 9.3958 9.4089 9.4115 9.5967 9.6045 9.6424 9.6450 10.3153 10.3173 10.3579 10.3591 10.6996 10.7032 11.2593 11.2604 11.2822 11.2827 k = 0.5060 0.0513-0.0736 ( 6245 PWs) bands (ev): -4.3080 -4.3077 -3.2042 -3.2039 -2.6886 -2.6885 -2.0389 -2.0389 -1.1382 -1.1381 -0.4773 -0.4771 2.8935 2.8946 3.7871 3.7880 5.7099 5.7101 6.1676 6.1676 6.1827 6.1828 6.2015 6.2015 6.9087 6.9088 6.9247 6.9255 7.8801 7.8804 7.8974 7.8975 8.4351 8.4370 8.4710 8.4716 8.5957 8.5984 9.1274 9.1300 9.4110 9.4183 9.4276 9.4288 9.6478 9.6529 9.6774 9.6791 10.3037 10.3049 10.3225 10.3237 10.6770 10.6796 11.2546 11.2554 11.2661 11.2665 k = 0.5030 0.0510-0.0221 ( 6244 PWs) bands (ev): -4.3113 -4.3112 -3.2078 -3.2077 -2.6920 -2.6919 -2.0424 -2.0423 -1.1401 -1.1401 -0.4772 -0.4771 2.8919 2.8925 3.7822 3.7827 5.7150 5.7151 6.1721 6.1721 6.1859 6.1863 6.1954 6.1958 6.9080 6.9080 6.9242 6.9246 7.8926 7.8927 7.9036 7.9037 8.4641 8.4650 8.4754 8.4761 8.5916 8.5932 9.1373 9.1386 9.4256 9.4286 9.4387 9.4389 9.6843 9.6863 9.7055 9.7059 10.2896 10.2898 10.2992 10.3003 10.6650 10.6663 11.2507 11.2510 11.2577 11.2578 k = 0.5000 0.0507 0.0295 ( 6256 PWs) bands (ev): -4.3124 -4.3124 -3.2090 -3.2090 -2.6931 -2.6931 -2.0435 -2.0435 -1.1407 -1.1407 -0.4771 -0.4771 2.8916 2.8916 3.7808 3.7808 5.7168 5.7168 6.1720 6.1720 6.1907 6.1907 6.1917 6.1917 6.9077 6.9077 6.9242 6.9242 7.8960 7.8960 7.9065 7.9065 8.4728 8.4728 8.4792 8.4792 8.5903 8.5903 9.1408 9.1408 9.4308 9.4308 9.4422 9.4422 9.6971 9.6971 9.7172 9.7172 10.2829 10.2829 10.2918 10.2918 10.6617 10.6617 11.2489 11.2489 11.2554 11.2554 k = 0.5000-2.4390-1.4178 ( 6258 PWs) bands (ev): -2.0453 -2.0453 -1.3079 -1.3079 -1.0009 -1.0009 -0.6160 -0.6160 -0.3331 -0.3331 0.0554 0.0554 2.5409 2.5409 2.9305 2.9305 3.3227 3.3227 3.9719 3.9719 5.0505 5.0505 5.3733 5.3733 5.8129 5.8129 6.0211 6.0211 6.1991 6.1991 6.3610 6.3610 6.5392 6.5392 6.7967 6.7967 7.0863 7.0863 7.3253 7.3253 7.7144 7.7144 8.0656 8.0656 8.3102 8.3102 8.5977 8.5977 8.8531 8.8531 10.3386 10.3386 11.6817 11.6817 12.2226 12.2226 13.0318 13.0318 k = 0.5473-2.4317-1.4136 ( 6267 PWs) bands (ev): -2.0453 -2.0453 -1.3082 -1.3081 -1.0003 -1.0002 -0.6170 -0.6167 -0.3330 -0.3327 0.0554 0.0555 2.5414 2.5415 2.9296 2.9300 3.3202 3.3211 3.9769 3.9777 5.0423 5.0427 5.3734 5.3736 5.8184 5.8193 6.0213 6.0213 6.1963 6.1975 6.3646 6.3651 6.5373 6.5374 6.7994 6.7994 7.0813 7.0819 7.3253 7.3262 7.7111 7.7112 8.0678 8.0682 8.3140 8.3141 8.5963 8.5963 8.8513 8.8514 10.3385 10.3386 11.6823 11.6823 12.2236 12.2238 13.0274 13.0291 k = 0.5946-2.4245-1.4094 ( 6271 PWs) bands (ev): -2.0453 -2.0453 -1.3090 -1.3089 -0.9983 -0.9981 -0.6194 -0.6189 -0.3323 -0.3317 0.0556 0.0558 2.5432 2.5433 2.9273 2.9281 3.3138 3.3156 3.9923 3.9937 5.0191 5.0200 5.3740 5.3742 5.8347 5.8364 6.0218 6.0218 6.1900 6.1923 6.3754 6.3763 6.5321 6.5323 6.8071 6.8072 7.0675 7.0685 7.3261 7.3277 7.7017 7.7018 8.0747 8.0754 8.3253 8.3254 8.5923 8.5923 8.8460 8.8460 10.3382 10.3383 11.6839 11.6840 12.2269 12.2273 13.0163 13.0195 k = 0.6419-2.4173-1.4052 ( 6281 PWs) bands (ev): -2.0454 -2.0453 -1.3102 -1.3100 -0.9951 -0.9949 -0.6231 -0.6225 -0.3311 -0.3304 0.0559 0.0562 2.5460 2.5461 2.9237 2.9249 3.3046 3.3070 4.0170 4.0189 4.9836 4.9848 5.3750 5.3754 5.8589 5.8614 6.0227 6.0227 6.1817 6.1849 6.3921 6.3931 6.5244 6.5247 6.8189 6.8190 7.0461 7.0473 7.3272 7.3294 7.6873 7.6874 8.0855 8.0865 8.3428 8.3430 8.5858 8.5858 8.8373 8.8374 10.3378 10.3379 11.6866 11.6866 12.2322 12.2329 13.0000 13.0041 k = 0.6892-2.4100-1.4010 ( 6284 PWs) bands (ev): -2.0454 -2.0454 -1.3117 -1.3115 -0.9911 -0.9908 -0.6278 -0.6270 -0.3297 -0.3288 0.0563 0.0566 2.5496 2.5497 2.9191 2.9205 3.2937 3.2964 4.0495 4.0517 4.9391 4.9406 5.3765 5.3769 5.8871 5.8903 6.0237 6.0238 6.1732 6.1771 6.4132 6.4141 6.5154 6.5159 6.8333 6.8334 7.0185 7.0199 7.3284 7.3308 7.6696 7.6697 8.0995 8.1007 8.3651 8.3653 8.5773 8.5773 8.8256 8.8257 10.3373 10.3375 11.6899 11.6899 12.2394 12.2401 12.9801 12.9848 k = 0.7365-2.4028-1.3968 ( 6287 PWs) bands (ev): -2.0455 -2.0454 -1.3133 -1.3131 -0.9866 -0.9863 -0.6330 -0.6322 -0.3280 -0.3271 0.0567 0.0571 2.5539 2.5540 2.9138 2.9154 3.2824 3.2852 4.0878 4.0902 4.8888 4.8905 5.3783 5.3787 5.9158 5.9195 6.0250 6.0251 6.1658 6.1702 6.4374 6.4381 6.5062 6.5069 6.8490 6.8491 6.9868 6.9881 7.3292 7.3315 7.6502 7.6503 8.1154 8.1166 8.3903 8.3906 8.5675 8.5675 8.8113 8.8115 10.3367 10.3369 11.6935 11.6936 12.2478 12.2486 12.9585 12.9632 k = 0.7837-2.3955-1.3925 ( 6289 PWs) bands (ev): -2.0455 -2.0455 -1.3150 -1.3147 -0.9819 -0.9816 -0.6383 -0.6376 -0.3263 -0.3254 0.0571 0.0575 2.5584 2.5586 2.9083 2.9099 3.2716 3.2743 4.1299 4.1324 4.8360 4.8378 5.3803 5.3807 5.9417 5.9457 6.0265 6.0266 6.1605 6.1651 6.4630 6.4631 6.4983 6.4996 6.8646 6.8648 6.9529 6.9540 7.3295 7.3317 7.6310 7.6310 8.1318 8.1329 8.4165 8.4168 8.5573 8.5574 8.7953 8.7954 10.3362 10.3364 11.6972 11.6973 12.2568 12.2576 12.9370 12.9413 k = 0.8310-2.3883-1.3883 ( 6288 PWs) bands (ev): -2.0457 -2.0456 -1.3164 -1.3161 -0.9776 -0.9773 -0.6431 -0.6425 -0.3248 -0.3240 0.0575 0.0579 2.5628 2.5630 2.9031 2.9047 3.2621 3.2646 4.1732 4.1755 4.7839 4.7856 5.3822 5.3826 5.9626 5.9665 6.0281 6.0282 6.1580 6.1622 6.4800 6.4816 6.4992 6.5016 6.8787 6.8791 6.9195 6.9202 7.3295 7.3313 7.6134 7.6135 8.1472 8.1481 8.4415 8.4418 8.5479 8.5481 8.7786 8.7788 10.3357 10.3359 11.7006 11.7008 12.2656 12.2664 12.9173 12.9208 Writing output data file Zr3xAl2C3x2.save init_run : 5.01s CPU 13.02s WALL ( 1 calls) electrons : 11782.40s CPU 11838.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 1.11s CPU 2.50s WALL ( 1 calls) Called by electrons: c_bands : 11782.37s CPU 11837.98s WALL ( 1 calls) v_of_rho : 0.39s CPU 1.11s WALL ( 1 calls) v_h : 0.02s CPU 0.03s WALL ( 1 calls) v_xc : 0.36s CPU 0.78s WALL ( 1 calls) newd : 0.44s CPU 0.70s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.17s WALL ( 331 calls) cegterg : 10813.21s CPU 10861.03s WALL ( 1173 calls) Called by sum_band: Called by *egterg: h_psi : 10834.08s CPU 10891.96s WALL ( 22090 calls) s_psi : 99.12s CPU 99.76s WALL ( 22090 calls) g_psi : 1.76s CPU 1.76s WALL ( 20586 calls) cdiaghg : 559.60s CPU 554.46s WALL ( 20917 calls) cegterg:over : 116.52s CPU 111.82s WALL ( 20586 calls) cegterg:upda : 34.23s CPU 40.82s WALL ( 20586 calls) cegterg:last : 26.76s CPU 27.84s WALL ( 3060 calls) Called by h_psi: h_psi:vloc : 10605.76s CPU 10661.01s WALL ( 22090 calls) h_psi:vnl : 227.10s CPU 228.76s WALL ( 22090 calls) add_vuspsi : 85.27s CPU 92.89s WALL ( 22090 calls) General routines calbec : 141.71s CPU 135.67s WALL ( 22090 calls) fft : 0.51s CPU 1.44s WALL ( 19 calls) ffts : 0.03s CPU 0.32s WALL ( 4 calls) fftw : 7724.31s CPU 7763.19s WALL ( 2106708 calls) interpolate : 0.16s CPU 0.45s WALL ( 4 calls) davcio : 0.04s CPU 2.32s WALL ( 662 calls) Parallel routines fft_scatter : 3470.99s CPU 3507.60s WALL ( 2106731 calls) PWSCF : 3h17m CPU 3h22m WALL This run was terminated on: 20:14:17 30Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=