Program PWSCF v.5.1.1 starts on 28Oct2015 at 5:35:58 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: ./Hg2GeSe4.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized 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 111 46 13 3656 962 147 Max 112 47 14 3659 985 148 Sum 5349 2223 627 175529 46717 7091 bravais-lattice index = 14 lattice parameter (alat) = 13.0662 a.u. unit-cell volume = 1224.9164 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.066239 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.662752 celldm(5)= -0.662752 celldm(6)= 0.325505 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.325505 0.945540 0.000000 ) a(3) = ( -0.662752 -0.472770 0.580730 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.344252 0.860985 ) b(2) = ( 0.000000 1.057596 0.860985 ) b(3) = ( 0.000000 0.000000 1.721970 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 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 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Hg 12.00 200.59000 Hg( 1.00) Se 6.00 78.96000 Se( 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= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0215246), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0430492), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0645739), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0860985), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.1076231), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.1291477), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.1506723), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1721970), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1937216), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.2152462), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.2367708), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.2582954), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.2798201), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.3013447), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.3228693), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.3443939), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.3659186), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.3874432), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.4089678), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.4304924), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.4520170), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.4735417), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.4950663), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.5165909), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.5381155), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.5596401), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.5811648), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.6026894), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.6242140), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.6457386), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.6672632), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.6887879), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.7103125), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.7318371), wk = 0.0036765 k( 36) = ( 0.0000000 0.0000000 0.7533617), wk = 0.0036765 k( 37) = ( 0.0000000 0.0000000 0.7748863), wk = 0.0036765 k( 38) = ( 0.0000000 0.0000000 0.7964110), wk = 0.0036765 k( 39) = ( 0.0000000 0.0000000 0.8179356), wk = 0.0036765 k( 40) = ( 0.0000000 0.0000000 0.8394602), wk = 0.0036765 k( 41) = ( 0.0000000 0.0000000 0.8609848), wk = 0.0036765 k( 42) = ( 0.0000000 0.0000000 0.8609848), wk = 0.0036765 k( 43) = ( -0.0127215 0.0178336 0.8609848), wk = 0.0036765 k( 44) = ( -0.0254430 0.0356672 0.8609848), wk = 0.0036765 k( 45) = ( -0.0381645 0.0535008 0.8609848), wk = 0.0036765 k( 46) = ( -0.0508859 0.0713344 0.8609848), wk = 0.0036765 k( 47) = ( -0.0636074 0.0891680 0.8609848), wk = 0.0036765 k( 48) = ( -0.0763289 0.1070016 0.8609848), wk = 0.0036765 k( 49) = ( -0.0890504 0.1248352 0.8609848), wk = 0.0036765 k( 50) = ( -0.1017719 0.1426688 0.8609848), wk = 0.0036765 k( 51) = ( -0.1144934 0.1605024 0.8609848), wk = 0.0036765 k( 52) = ( -0.1272148 0.1783359 0.8609848), wk = 0.0036765 k( 53) = ( -0.1272148 0.1783359 0.8609848), wk = 0.0036765 k( 54) = ( -0.1360907 0.1907785 0.8457009), wk = 0.0036765 k( 55) = ( -0.1449665 0.2032211 0.8304170), wk = 0.0036765 k( 56) = ( -0.1538423 0.2156637 0.8151331), wk = 0.0036765 k( 57) = ( -0.1627182 0.2281063 0.7998491), wk = 0.0036765 k( 58) = ( -0.1715940 0.2405488 0.7845652), wk = 0.0036765 k( 59) = ( -0.1804699 0.2529914 0.7692813), wk = 0.0036765 k( 60) = ( -0.1893457 0.2654340 0.7539974), wk = 0.0036765 k( 61) = ( -0.1982215 0.2778766 0.7387134), wk = 0.0036765 k( 62) = ( -0.2070974 0.2903192 0.7234295), wk = 0.0036765 k( 63) = ( -0.2159732 0.3027617 0.7081456), wk = 0.0036765 k( 64) = ( -0.2248490 0.3152043 0.6928617), wk = 0.0036765 k( 65) = ( -0.2337249 0.3276469 0.6775778), wk = 0.0036765 k( 66) = ( -0.2426007 0.3400895 0.6622938), wk = 0.0036765 k( 67) = ( -0.2514766 0.3525321 0.6470099), wk = 0.0036765 k( 68) = ( -0.2603524 0.3649746 0.6317260), wk = 0.0036765 k( 69) = ( -0.2692282 0.3774172 0.6164421), wk = 0.0036765 k( 70) = ( -0.2781041 0.3898598 0.6011582), wk = 0.0036765 k( 71) = ( -0.2869799 0.4023024 0.5858742), wk = 0.0036765 k( 72) = ( -0.2958557 0.4147450 0.5705903), wk = 0.0036765 k( 73) = ( -0.3047316 0.4271875 0.5553064), wk = 0.0036765 k( 74) = ( -0.3136074 0.4396301 0.5400225), wk = 0.0036765 k( 75) = ( -0.3136074 0.4396301 0.5400225), wk = 0.0036765 k( 76) = ( -0.3046472 0.4270693 0.5245933), wk = 0.0036765 k( 77) = ( -0.2956870 0.4145084 0.5091640), wk = 0.0036765 k( 78) = ( -0.2867268 0.4019475 0.4937348), wk = 0.0036765 k( 79) = ( -0.2777666 0.3893867 0.4783056), wk = 0.0036765 k( 80) = ( -0.2688064 0.3768258 0.4628764), wk = 0.0036765 k( 81) = ( -0.2598461 0.3642650 0.4474472), wk = 0.0036765 k( 82) = ( -0.2508859 0.3517041 0.4320180), wk = 0.0036765 k( 83) = ( -0.2419257 0.3391432 0.4165888), wk = 0.0036765 k( 84) = ( -0.2329655 0.3265824 0.4011595), wk = 0.0036765 k( 85) = ( -0.2240053 0.3140215 0.3857303), wk = 0.0036765 k( 86) = ( -0.2150451 0.3014607 0.3703011), wk = 0.0036765 k( 87) = ( -0.2060849 0.2888998 0.3548719), wk = 0.0036765 k( 88) = ( -0.1971247 0.2763389 0.3394427), wk = 0.0036765 k( 89) = ( -0.1881645 0.2637781 0.3240135), wk = 0.0036765 k( 90) = ( -0.1792042 0.2512172 0.3085843), wk = 0.0036765 k( 91) = ( -0.1702440 0.2386564 0.2931551), wk = 0.0036765 k( 92) = ( -0.1612838 0.2260955 0.2777258), wk = 0.0036765 k( 93) = ( -0.1523236 0.2135346 0.2622966), wk = 0.0036765 k( 94) = ( -0.1433634 0.2009738 0.2468674), wk = 0.0036765 k( 95) = ( -0.1344032 0.1884129 0.2314382), wk = 0.0036765 k( 96) = ( -0.1254430 0.1758521 0.2160090), wk = 0.0036765 k( 97) = ( -0.1164828 0.1632912 0.2005798), wk = 0.0036765 k( 98) = ( -0.1075225 0.1507303 0.1851506), wk = 0.0036765 k( 99) = ( -0.0985623 0.1381695 0.1697213), wk = 0.0036765 k( 100) = ( -0.0896021 0.1256086 0.1542921), wk = 0.0036765 k( 101) = ( -0.0806419 0.1130477 0.1388629), wk = 0.0036765 k( 102) = ( -0.0716817 0.1004869 0.1234337), wk = 0.0036765 k( 103) = ( -0.0627215 0.0879260 0.1080045), wk = 0.0036765 k( 104) = ( -0.0537613 0.0753652 0.0925753), wk = 0.0036765 k( 105) = ( -0.0448011 0.0628043 0.0771461), wk = 0.0036765 k( 106) = ( -0.0358409 0.0502434 0.0617169), wk = 0.0036765 k( 107) = ( -0.0268806 0.0376826 0.0462876), wk = 0.0036765 k( 108) = ( -0.0179204 0.0251217 0.0308584), wk = 0.0036765 k( 109) = ( -0.0089602 0.0125609 0.0154292), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 112) = ( 0.0178571 0.0127383 -0.0000000), wk = 0.0036765 k( 113) = ( 0.0357143 0.0254766 -0.0000000), wk = 0.0036765 k( 114) = ( 0.0535714 0.0382148 -0.0000000), wk = 0.0036765 k( 115) = ( 0.0714286 0.0509531 -0.0000000), wk = 0.0036765 k( 116) = ( 0.0892857 0.0636914 -0.0000000), wk = 0.0036765 k( 117) = ( 0.1071429 0.0764297 -0.0000000), wk = 0.0036765 k( 118) = ( 0.1250000 0.0891680 -0.0000000), wk = 0.0036765 k( 119) = ( 0.1428571 0.1019063 -0.0000000), wk = 0.0036765 k( 120) = ( 0.1607143 0.1146445 -0.0000000), wk = 0.0036765 k( 121) = ( 0.1785714 0.1273828 -0.0000000), wk = 0.0036765 k( 122) = ( 0.1964286 0.1401211 -0.0000000), wk = 0.0036765 k( 123) = ( 0.2142857 0.1528594 -0.0000000), wk = 0.0036765 k( 124) = ( 0.2321429 0.1655977 -0.0000000), wk = 0.0036765 k( 125) = ( 0.2500000 0.1783359 -0.0000000), wk = 0.0036765 k( 126) = ( 0.2678571 0.1910742 -0.0000000), wk = 0.0036765 k( 127) = ( 0.2857143 0.2038125 -0.0000000), wk = 0.0036765 k( 128) = ( 0.3035714 0.2165508 -0.0000000), wk = 0.0036765 k( 129) = ( 0.3214286 0.2292891 -0.0000000), wk = 0.0036765 k( 130) = ( 0.3392857 0.2420274 -0.0000000), wk = 0.0036765 k( 131) = ( 0.3571429 0.2547656 -0.0000000), wk = 0.0036765 k( 132) = ( 0.3750000 0.2675039 -0.0000000), wk = 0.0036765 k( 133) = ( 0.3928571 0.2802422 -0.0000000), wk = 0.0036765 k( 134) = ( 0.4107143 0.2929805 -0.0000000), wk = 0.0036765 k( 135) = ( 0.4285714 0.3057188 -0.0000000), wk = 0.0036765 k( 136) = ( 0.4464286 0.3184571 -0.0000000), wk = 0.0036765 k( 137) = ( 0.4642857 0.3311953 -0.0000000), wk = 0.0036765 k( 138) = ( 0.4821429 0.3439336 -0.0000000), wk = 0.0036765 k( 139) = ( 0.5000000 0.3566719 -0.0000000), wk = 0.0036765 k( 140) = ( 0.5000000 0.3566719 -0.0000000), wk = 0.0036765 k( 141) = ( 0.4911242 0.3691145 0.0152839), wk = 0.0036765 k( 142) = ( 0.4822483 0.3815571 0.0305678), wk = 0.0036765 k( 143) = ( 0.4733725 0.3939996 0.0458518), wk = 0.0036765 k( 144) = ( 0.4644967 0.4064422 0.0611357), wk = 0.0036765 k( 145) = ( 0.4556208 0.4188848 0.0764196), wk = 0.0036765 k( 146) = ( 0.4467450 0.4313274 0.0917035), wk = 0.0036765 k( 147) = ( 0.4378691 0.4437700 0.1069875), wk = 0.0036765 k( 148) = ( 0.4289933 0.4562125 0.1222714), wk = 0.0036765 k( 149) = ( 0.4201175 0.4686551 0.1375553), wk = 0.0036765 k( 150) = ( 0.4112416 0.4810977 0.1528392), wk = 0.0036765 k( 151) = ( 0.4023658 0.4935403 0.1681231), wk = 0.0036765 k( 152) = ( 0.3934900 0.5059828 0.1834071), wk = 0.0036765 k( 153) = ( 0.3846141 0.5184254 0.1986910), wk = 0.0036765 k( 154) = ( 0.3757383 0.5308680 0.2139749), wk = 0.0036765 k( 155) = ( 0.3668624 0.5433106 0.2292588), wk = 0.0036765 k( 156) = ( 0.3579866 0.5557532 0.2445427), wk = 0.0036765 k( 157) = ( 0.3491108 0.5681958 0.2598267), wk = 0.0036765 k( 158) = ( 0.3402349 0.5806383 0.2751106), wk = 0.0036765 k( 159) = ( 0.3313591 0.5930809 0.2903945), wk = 0.0036765 k( 160) = ( 0.3224833 0.6055235 0.3056784), wk = 0.0036765 k( 161) = ( 0.3136074 0.6179661 0.3209624), wk = 0.0036765 k( 162) = ( 0.3136074 0.6179661 0.3209624), wk = 0.0036765 k( 163) = ( 0.2940070 0.6123931 0.3278080), wk = 0.0036765 k( 164) = ( 0.2744065 0.6068201 0.3346536), wk = 0.0036765 k( 165) = ( 0.2548060 0.6012471 0.3414992), wk = 0.0036765 k( 166) = ( 0.2352056 0.5956741 0.3483449), wk = 0.0036765 k( 167) = ( 0.2156051 0.5901011 0.3551905), wk = 0.0036765 k( 168) = ( 0.1960046 0.5845281 0.3620361), wk = 0.0036765 k( 169) = ( 0.1764042 0.5789551 0.3688818), wk = 0.0036765 k( 170) = ( 0.1568037 0.5733821 0.3757274), wk = 0.0036765 k( 171) = ( 0.1372032 0.5678091 0.3825730), wk = 0.0036765 k( 172) = ( 0.1176028 0.5622361 0.3894186), wk = 0.0036765 k( 173) = ( 0.0980023 0.5566631 0.3962643), wk = 0.0036765 k( 174) = ( 0.0784019 0.5510901 0.4031099), wk = 0.0036765 k( 175) = ( 0.0588014 0.5455171 0.4099555), wk = 0.0036765 k( 176) = ( 0.0392009 0.5399441 0.4168012), wk = 0.0036765 k( 177) = ( 0.0196005 0.5343711 0.4236468), wk = 0.0036765 k( 178) = ( 0.0000000 0.5287981 0.4304924), wk = 0.0036765 k( 179) = ( 0.0000000 0.5287981 0.4304924), wk = 0.0036765 k( 180) = ( 0.0089286 0.5162816 0.4458671), wk = 0.0036765 k( 181) = ( 0.0178571 0.5037651 0.4612419), wk = 0.0036765 k( 182) = ( 0.0267857 0.4912486 0.4766166), wk = 0.0036765 k( 183) = ( 0.0357143 0.4787321 0.4919913), wk = 0.0036765 k( 184) = ( 0.0446429 0.4662156 0.5073661), wk = 0.0036765 k( 185) = ( 0.0535714 0.4536991 0.5227408), wk = 0.0036765 k( 186) = ( 0.0625000 0.4411826 0.5381155), wk = 0.0036765 k( 187) = ( 0.0714286 0.4286661 0.5534902), wk = 0.0036765 k( 188) = ( 0.0803571 0.4161496 0.5688650), wk = 0.0036765 k( 189) = ( 0.0892857 0.4036331 0.5842397), wk = 0.0036765 k( 190) = ( 0.0982143 0.3911165 0.5996144), wk = 0.0036765 k( 191) = ( 0.1071429 0.3786000 0.6149892), wk = 0.0036765 k( 192) = ( 0.1160714 0.3660835 0.6303639), wk = 0.0036765 k( 193) = ( 0.1250000 0.3535670 0.6457386), wk = 0.0036765 k( 194) = ( 0.1339286 0.3410505 0.6611133), wk = 0.0036765 k( 195) = ( 0.1428571 0.3285340 0.6764881), wk = 0.0036765 k( 196) = ( 0.1517857 0.3160175 0.6918628), wk = 0.0036765 k( 197) = ( 0.1607143 0.3035010 0.7072375), wk = 0.0036765 k( 198) = ( 0.1696429 0.2909845 0.7226123), wk = 0.0036765 k( 199) = ( 0.1785714 0.2784680 0.7379870), wk = 0.0036765 k( 200) = ( 0.1875000 0.2659515 0.7533617), wk = 0.0036765 k( 201) = ( 0.1964286 0.2534350 0.7687364), wk = 0.0036765 k( 202) = ( 0.2053571 0.2409185 0.7841112), wk = 0.0036765 k( 203) = ( 0.2142857 0.2284020 0.7994859), wk = 0.0036765 k( 204) = ( 0.2232143 0.2158855 0.8148606), wk = 0.0036765 k( 205) = ( 0.2321429 0.2033690 0.8302354), wk = 0.0036765 k( 206) = ( 0.2410714 0.1908525 0.8456101), wk = 0.0036765 k( 207) = ( 0.2500000 0.1783359 0.8609848), wk = 0.0036765 k( 208) = ( 0.2500000 0.1783359 0.8609848), wk = 0.0036765 k( 209) = ( 0.2638889 0.1882435 0.8488148), wk = 0.0036765 k( 210) = ( 0.2777778 0.1981511 0.8366448), wk = 0.0036765 k( 211) = ( 0.2916667 0.2080586 0.8244748), wk = 0.0036765 k( 212) = ( 0.3055556 0.2179662 0.8123048), wk = 0.0036765 k( 213) = ( 0.3194444 0.2278737 0.8001348), wk = 0.0036765 k( 214) = ( 0.3333333 0.2377813 0.7879648), wk = 0.0036765 k( 215) = ( 0.3472222 0.2476888 0.7757948), wk = 0.0036765 k( 216) = ( 0.3611111 0.2575964 0.7636248), wk = 0.0036765 k( 217) = ( 0.3750000 0.2675039 0.7514548), wk = 0.0036765 k( 218) = ( 0.3888889 0.2774115 0.7392848), wk = 0.0036765 k( 219) = ( 0.4027778 0.2873190 0.7271148), wk = 0.0036765 k( 220) = ( 0.4166667 0.2972266 0.7149448), wk = 0.0036765 k( 221) = ( 0.4305556 0.3071341 0.7027748), wk = 0.0036765 k( 222) = ( 0.4444444 0.3170417 0.6906047), wk = 0.0036765 k( 223) = ( 0.4583333 0.3269492 0.6784347), wk = 0.0036765 k( 224) = ( 0.4722222 0.3368568 0.6662647), wk = 0.0036765 k( 225) = ( 0.4861111 0.3467643 0.6540947), wk = 0.0036765 k( 226) = ( 0.5000000 0.3566719 0.6419247), wk = 0.0036765 k( 227) = ( 0.5000000 0.3566719 0.6419247), wk = 0.0036765 k( 228) = ( 0.5000000 0.3566719 0.6205272), wk = 0.0036765 k( 229) = ( 0.5000000 0.3566719 0.5991297), wk = 0.0036765 k( 230) = ( 0.5000000 0.3566719 0.5777323), wk = 0.0036765 k( 231) = ( 0.5000000 0.3566719 0.5563348), wk = 0.0036765 k( 232) = ( 0.5000000 0.3566719 0.5349373), wk = 0.0036765 k( 233) = ( 0.5000000 0.3566719 0.5135398), wk = 0.0036765 k( 234) = ( 0.5000000 0.3566719 0.4921423), wk = 0.0036765 k( 235) = ( 0.5000000 0.3566719 0.4707448), wk = 0.0036765 k( 236) = ( 0.5000000 0.3566719 0.4493473), wk = 0.0036765 k( 237) = ( 0.5000000 0.3566719 0.4279498), wk = 0.0036765 k( 238) = ( 0.5000000 0.3566719 0.4065523), wk = 0.0036765 k( 239) = ( 0.5000000 0.3566719 0.3851548), wk = 0.0036765 k( 240) = ( 0.5000000 0.3566719 0.3637573), wk = 0.0036765 k( 241) = ( 0.5000000 0.3566719 0.3423599), wk = 0.0036765 k( 242) = ( 0.5000000 0.3566719 0.3209624), wk = 0.0036765 k( 243) = ( 0.5000000 0.3566719 0.2995649), wk = 0.0036765 k( 244) = ( 0.5000000 0.3566719 0.2781674), wk = 0.0036765 k( 245) = ( 0.5000000 0.3566719 0.2567699), wk = 0.0036765 k( 246) = ( 0.5000000 0.3566719 0.2353724), wk = 0.0036765 k( 247) = ( 0.5000000 0.3566719 0.2139749), wk = 0.0036765 k( 248) = ( 0.5000000 0.3566719 0.1925774), wk = 0.0036765 k( 249) = ( 0.5000000 0.3566719 0.1711799), wk = 0.0036765 k( 250) = ( 0.5000000 0.3566719 0.1497824), wk = 0.0036765 k( 251) = ( 0.5000000 0.3566719 0.1283849), wk = 0.0036765 k( 252) = ( 0.5000000 0.3566719 0.1069875), wk = 0.0036765 k( 253) = ( 0.5000000 0.3566719 0.0855900), wk = 0.0036765 k( 254) = ( 0.5000000 0.3566719 0.0641925), wk = 0.0036765 k( 255) = ( 0.5000000 0.3566719 0.0427950), wk = 0.0036765 k( 256) = ( 0.5000000 0.3566719 0.0213975), wk = 0.0036765 k( 257) = ( 0.5000000 0.3566719 -0.0000000), wk = 0.0036765 k( 258) = ( 0.0000000 0.0000000 0.8609848), wk = 0.0036765 k( 259) = ( 0.0178571 0.0127383 0.8609848), wk = 0.0036765 k( 260) = ( 0.0357143 0.0254766 0.8609848), wk = 0.0036765 k( 261) = ( 0.0535714 0.0382148 0.8609848), wk = 0.0036765 k( 262) = ( 0.0714286 0.0509531 0.8609848), wk = 0.0036765 k( 263) = ( 0.0892857 0.0636914 0.8609848), wk = 0.0036765 k( 264) = ( 0.1071429 0.0764297 0.8609848), wk = 0.0036765 k( 265) = ( 0.1250000 0.0891680 0.8609848), wk = 0.0036765 k( 266) = ( 0.1428571 0.1019063 0.8609848), wk = 0.0036765 k( 267) = ( 0.1607143 0.1146445 0.8609848), wk = 0.0036765 k( 268) = ( 0.1785714 0.1273828 0.8609848), wk = 0.0036765 k( 269) = ( 0.1964286 0.1401211 0.8609848), wk = 0.0036765 k( 270) = ( 0.2142857 0.1528594 0.8609848), wk = 0.0036765 k( 271) = ( 0.2321429 0.1655977 0.8609848), wk = 0.0036765 k( 272) = ( 0.2500000 0.1783359 0.8609848), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0036765 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0036765 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0036765 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0036765 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0036765 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0036765 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 43) = ( -0.0127215 0.0127215 0.5000000), wk = 0.0036765 k( 44) = ( -0.0254430 0.0254430 0.5000000), wk = 0.0036765 k( 45) = ( -0.0381645 0.0381645 0.5000000), wk = 0.0036765 k( 46) = ( -0.0508859 0.0508859 0.5000000), wk = 0.0036765 k( 47) = ( -0.0636074 0.0636074 0.5000000), wk = 0.0036765 k( 48) = ( -0.0763289 0.0763289 0.5000000), wk = 0.0036765 k( 49) = ( -0.0890504 0.0890504 0.5000000), wk = 0.0036765 k( 50) = ( -0.1017719 0.1017719 0.5000000), wk = 0.0036765 k( 51) = ( -0.1144934 0.1144934 0.5000000), wk = 0.0036765 k( 52) = ( -0.1272148 0.1272148 0.5000000), wk = 0.0036765 k( 53) = ( -0.1272148 0.1272148 0.5000000), wk = 0.0036765 k( 54) = ( -0.1360907 0.1360907 0.4911242), wk = 0.0036765 k( 55) = ( -0.1449665 0.1449665 0.4822483), wk = 0.0036765 k( 56) = ( -0.1538423 0.1538423 0.4733725), wk = 0.0036765 k( 57) = ( -0.1627182 0.1627182 0.4644967), wk = 0.0036765 k( 58) = ( -0.1715940 0.1715940 0.4556208), wk = 0.0036765 k( 59) = ( -0.1804699 0.1804699 0.4467450), wk = 0.0036765 k( 60) = ( -0.1893457 0.1893457 0.4378691), wk = 0.0036765 k( 61) = ( -0.1982215 0.1982215 0.4289933), wk = 0.0036765 k( 62) = ( -0.2070974 0.2070974 0.4201175), wk = 0.0036765 k( 63) = ( -0.2159732 0.2159732 0.4112416), wk = 0.0036765 k( 64) = ( -0.2248490 0.2248490 0.4023658), wk = 0.0036765 k( 65) = ( -0.2337249 0.2337249 0.3934900), wk = 0.0036765 k( 66) = ( -0.2426007 0.2426007 0.3846141), wk = 0.0036765 k( 67) = ( -0.2514766 0.2514766 0.3757383), wk = 0.0036765 k( 68) = ( -0.2603524 0.2603524 0.3668624), wk = 0.0036765 k( 69) = ( -0.2692282 0.2692282 0.3579866), wk = 0.0036765 k( 70) = ( -0.2781041 0.2781041 0.3491108), wk = 0.0036765 k( 71) = ( -0.2869799 0.2869799 0.3402349), wk = 0.0036765 k( 72) = ( -0.2958557 0.2958557 0.3313591), wk = 0.0036765 k( 73) = ( -0.3047316 0.3047316 0.3224833), wk = 0.0036765 k( 74) = ( -0.3136074 0.3136074 0.3136074), wk = 0.0036765 k( 75) = ( -0.3136074 0.3136074 0.3136074), wk = 0.0036765 k( 76) = ( -0.3046472 0.3046472 0.3046472), wk = 0.0036765 k( 77) = ( -0.2956870 0.2956870 0.2956870), wk = 0.0036765 k( 78) = ( -0.2867268 0.2867268 0.2867268), wk = 0.0036765 k( 79) = ( -0.2777666 0.2777666 0.2777666), wk = 0.0036765 k( 80) = ( -0.2688064 0.2688064 0.2688064), wk = 0.0036765 k( 81) = ( -0.2598461 0.2598461 0.2598461), wk = 0.0036765 k( 82) = ( -0.2508859 0.2508859 0.2508859), wk = 0.0036765 k( 83) = ( -0.2419257 0.2419257 0.2419257), wk = 0.0036765 k( 84) = ( -0.2329655 0.2329655 0.2329655), wk = 0.0036765 k( 85) = ( -0.2240053 0.2240053 0.2240053), wk = 0.0036765 k( 86) = ( -0.2150451 0.2150451 0.2150451), wk = 0.0036765 k( 87) = ( -0.2060849 0.2060849 0.2060849), wk = 0.0036765 k( 88) = ( -0.1971247 0.1971247 0.1971247), wk = 0.0036765 k( 89) = ( -0.1881645 0.1881645 0.1881644), wk = 0.0036765 k( 90) = ( -0.1792042 0.1792042 0.1792042), wk = 0.0036765 k( 91) = ( -0.1702440 0.1702440 0.1702440), wk = 0.0036765 k( 92) = ( -0.1612838 0.1612838 0.1612838), wk = 0.0036765 k( 93) = ( -0.1523236 0.1523236 0.1523236), wk = 0.0036765 k( 94) = ( -0.1433634 0.1433634 0.1433634), wk = 0.0036765 k( 95) = ( -0.1344032 0.1344032 0.1344032), wk = 0.0036765 k( 96) = ( -0.1254430 0.1254430 0.1254430), wk = 0.0036765 k( 97) = ( -0.1164828 0.1164828 0.1164828), wk = 0.0036765 k( 98) = ( -0.1075225 0.1075225 0.1075225), wk = 0.0036765 k( 99) = ( -0.0985623 0.0985623 0.0985623), wk = 0.0036765 k( 100) = ( -0.0896021 0.0896021 0.0896021), wk = 0.0036765 k( 101) = ( -0.0806419 0.0806419 0.0806419), wk = 0.0036765 k( 102) = ( -0.0716817 0.0716817 0.0716817), wk = 0.0036765 k( 103) = ( -0.0627215 0.0627215 0.0627215), wk = 0.0036765 k( 104) = ( -0.0537613 0.0537613 0.0537613), wk = 0.0036765 k( 105) = ( -0.0448011 0.0448011 0.0448011), wk = 0.0036765 k( 106) = ( -0.0358409 0.0358409 0.0358408), wk = 0.0036765 k( 107) = ( -0.0268806 0.0268806 0.0268806), wk = 0.0036765 k( 108) = ( -0.0179204 0.0179204 0.0179204), wk = 0.0036765 k( 109) = ( -0.0089602 0.0089602 0.0089602), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 112) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0036765 k( 113) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0036765 k( 114) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0036765 k( 115) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0036765 k( 116) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0036765 k( 117) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0036765 k( 118) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0036765 k( 119) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0036765 k( 120) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0036765 k( 121) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0036765 k( 122) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0036765 k( 123) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0036765 k( 124) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0036765 k( 125) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036765 k( 126) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0036765 k( 127) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0036765 k( 128) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0036765 k( 129) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0036765 k( 130) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0036765 k( 131) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0036765 k( 132) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0036765 k( 133) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0036765 k( 134) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0036765 k( 135) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0036765 k( 136) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0036765 k( 137) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0036765 k( 138) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0036765 k( 139) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 140) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 141) = ( 0.4911242 0.5088758 -0.4911242), wk = 0.0036765 k( 142) = ( 0.4822483 0.5177517 -0.4822483), wk = 0.0036765 k( 143) = ( 0.4733725 0.5266275 -0.4733725), wk = 0.0036765 k( 144) = ( 0.4644967 0.5355034 -0.4644967), wk = 0.0036765 k( 145) = ( 0.4556208 0.5443792 -0.4556208), wk = 0.0036765 k( 146) = ( 0.4467450 0.5532550 -0.4467450), wk = 0.0036765 k( 147) = ( 0.4378691 0.5621309 -0.4378691), wk = 0.0036765 k( 148) = ( 0.4289933 0.5710067 -0.4289933), wk = 0.0036765 k( 149) = ( 0.4201175 0.5798825 -0.4201175), wk = 0.0036765 k( 150) = ( 0.4112416 0.5887584 -0.4112416), wk = 0.0036765 k( 151) = ( 0.4023658 0.5976342 -0.4023658), wk = 0.0036765 k( 152) = ( 0.3934900 0.6065100 -0.3934900), wk = 0.0036765 k( 153) = ( 0.3846141 0.6153859 -0.3846141), wk = 0.0036765 k( 154) = ( 0.3757383 0.6242617 -0.3757383), wk = 0.0036765 k( 155) = ( 0.3668624 0.6331376 -0.3668624), wk = 0.0036765 k( 156) = ( 0.3579866 0.6420134 -0.3579866), wk = 0.0036765 k( 157) = ( 0.3491108 0.6508892 -0.3491108), wk = 0.0036765 k( 158) = ( 0.3402349 0.6597651 -0.3402349), wk = 0.0036765 k( 159) = ( 0.3313591 0.6686409 -0.3313591), wk = 0.0036765 k( 160) = ( 0.3224833 0.6775167 -0.3224833), wk = 0.0036765 k( 161) = ( 0.3136074 0.6863926 -0.3136074), wk = 0.0036765 k( 162) = ( 0.3136074 0.6863926 -0.3136074), wk = 0.0036765 k( 163) = ( 0.2940070 0.6747430 -0.2940070), wk = 0.0036765 k( 164) = ( 0.2744065 0.6630935 -0.2744065), wk = 0.0036765 k( 165) = ( 0.2548060 0.6514440 -0.2548060), wk = 0.0036765 k( 166) = ( 0.2352056 0.6397944 -0.2352056), wk = 0.0036765 k( 167) = ( 0.2156051 0.6281449 -0.2156051), wk = 0.0036765 k( 168) = ( 0.1960046 0.6164954 -0.1960046), wk = 0.0036765 k( 169) = ( 0.1764042 0.6048458 -0.1764042), wk = 0.0036765 k( 170) = ( 0.1568037 0.5931963 -0.1568037), wk = 0.0036765 k( 171) = ( 0.1372032 0.5815468 -0.1372033), wk = 0.0036765 k( 172) = ( 0.1176028 0.5698972 -0.1176028), wk = 0.0036765 k( 173) = ( 0.0980023 0.5582477 -0.0980023), wk = 0.0036765 k( 174) = ( 0.0784019 0.5465981 -0.0784019), wk = 0.0036765 k( 175) = ( 0.0588014 0.5349486 -0.0588014), wk = 0.0036765 k( 176) = ( 0.0392009 0.5232991 -0.0392009), wk = 0.0036765 k( 177) = ( 0.0196005 0.5116495 -0.0196005), wk = 0.0036765 k( 178) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 179) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 180) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036765 k( 181) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036765 k( 182) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036765 k( 183) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036765 k( 184) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036765 k( 185) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036765 k( 186) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036765 k( 187) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036765 k( 188) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036765 k( 189) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036765 k( 190) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036765 k( 191) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036765 k( 192) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036765 k( 193) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036765 k( 194) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036765 k( 195) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036765 k( 196) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036765 k( 197) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036765 k( 198) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036765 k( 199) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036765 k( 200) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036765 k( 201) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036765 k( 202) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036765 k( 203) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036765 k( 204) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036765 k( 205) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036765 k( 206) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036765 k( 207) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 208) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 209) = ( 0.2638889 0.2638889 0.2290436), wk = 0.0036765 k( 210) = ( 0.2777778 0.2777778 0.2080872), wk = 0.0036765 k( 211) = ( 0.2916667 0.2916667 0.1871309), wk = 0.0036765 k( 212) = ( 0.3055556 0.3055556 0.1661745), wk = 0.0036765 k( 213) = ( 0.3194444 0.3194444 0.1452181), wk = 0.0036765 k( 214) = ( 0.3333333 0.3333333 0.1242617), wk = 0.0036765 k( 215) = ( 0.3472222 0.3472222 0.1033053), wk = 0.0036765 k( 216) = ( 0.3611111 0.3611111 0.0823490), wk = 0.0036765 k( 217) = ( 0.3750000 0.3750000 0.0613926), wk = 0.0036765 k( 218) = ( 0.3888889 0.3888889 0.0404362), wk = 0.0036765 k( 219) = ( 0.4027778 0.4027778 0.0194798), wk = 0.0036765 k( 220) = ( 0.4166667 0.4166667 -0.0014766), wk = 0.0036765 k( 221) = ( 0.4305556 0.4305556 -0.0224329), wk = 0.0036765 k( 222) = ( 0.4444444 0.4444444 -0.0433893), wk = 0.0036765 k( 223) = ( 0.4583333 0.4583333 -0.0643457), wk = 0.0036765 k( 224) = ( 0.4722222 0.4722222 -0.0853021), wk = 0.0036765 k( 225) = ( 0.4861111 0.4861111 -0.1062585), wk = 0.0036765 k( 226) = ( 0.5000000 0.5000000 -0.1272148), wk = 0.0036765 k( 227) = ( 0.5000000 0.5000000 -0.1272148), wk = 0.0036765 k( 228) = ( 0.5000000 0.5000000 -0.1396410), wk = 0.0036765 k( 229) = ( 0.5000000 0.5000000 -0.1520672), wk = 0.0036765 k( 230) = ( 0.5000000 0.5000000 -0.1644934), wk = 0.0036765 k( 231) = ( 0.5000000 0.5000000 -0.1769195), wk = 0.0036765 k( 232) = ( 0.5000000 0.5000000 -0.1893457), wk = 0.0036765 k( 233) = ( 0.5000000 0.5000000 -0.2017719), wk = 0.0036765 k( 234) = ( 0.5000000 0.5000000 -0.2141981), wk = 0.0036765 k( 235) = ( 0.5000000 0.5000000 -0.2266242), wk = 0.0036765 k( 236) = ( 0.5000000 0.5000000 -0.2390504), wk = 0.0036765 k( 237) = ( 0.5000000 0.5000000 -0.2514766), wk = 0.0036765 k( 238) = ( 0.5000000 0.5000000 -0.2639027), wk = 0.0036765 k( 239) = ( 0.5000000 0.5000000 -0.2763289), wk = 0.0036765 k( 240) = ( 0.5000000 0.5000000 -0.2887551), wk = 0.0036765 k( 241) = ( 0.5000000 0.5000000 -0.3011813), wk = 0.0036765 k( 242) = ( 0.5000000 0.5000000 -0.3136074), wk = 0.0036765 k( 243) = ( 0.5000000 0.5000000 -0.3260336), wk = 0.0036765 k( 244) = ( 0.5000000 0.5000000 -0.3384598), wk = 0.0036765 k( 245) = ( 0.5000000 0.5000000 -0.3508859), wk = 0.0036765 k( 246) = ( 0.5000000 0.5000000 -0.3633121), wk = 0.0036765 k( 247) = ( 0.5000000 0.5000000 -0.3757383), wk = 0.0036765 k( 248) = ( 0.5000000 0.5000000 -0.3881644), wk = 0.0036765 k( 249) = ( 0.5000000 0.5000000 -0.4005906), wk = 0.0036765 k( 250) = ( 0.5000000 0.5000000 -0.4130168), wk = 0.0036765 k( 251) = ( 0.5000000 0.5000000 -0.4254430), wk = 0.0036765 k( 252) = ( 0.5000000 0.5000000 -0.4378691), wk = 0.0036765 k( 253) = ( 0.5000000 0.5000000 -0.4502953), wk = 0.0036765 k( 254) = ( 0.5000000 0.5000000 -0.4627215), wk = 0.0036765 k( 255) = ( 0.5000000 0.5000000 -0.4751477), wk = 0.0036765 k( 256) = ( 0.5000000 0.5000000 -0.4875738), wk = 0.0036765 k( 257) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 258) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 259) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0036765 k( 260) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0036765 k( 261) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0036765 k( 262) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0036765 k( 263) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0036765 k( 264) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0036765 k( 265) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0036765 k( 266) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0036765 k( 267) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0036765 k( 268) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0036765 k( 269) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0036765 k( 270) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0036765 k( 271) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0036765 k( 272) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 Dense grid: 175529 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 46717 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 250, 62) NL pseudopotentials 0.21 Mb ( 125, 110) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.03 Mb ( 3659) G-vector shells 0.01 Mb ( 1661) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.95 Mb ( 250, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.21 Mb ( 110, 2, 62) The potential is recalculated from file : ./Hg2GeSe4.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.1 secs Computing kpt #: 2 total cpu time spent up to now is 51.5 secs Computing kpt #: 3 total cpu time spent up to now is 57.0 secs Computing kpt #: 4 total cpu time spent up to now is 62.4 secs Computing kpt #: 5 total cpu time spent up to now is 67.7 secs Computing kpt #: 6 total cpu time spent up to now is 73.2 secs Computing kpt #: 7 total cpu time spent up to now is 78.6 secs Computing kpt #: 8 total cpu time spent up to now is 84.0 secs Computing kpt #: 9 total cpu time spent up to now is 89.3 secs Computing kpt #: 10 total cpu time spent up to now is 94.8 secs Computing kpt #: 11 total cpu time spent up to now is 100.2 secs Computing kpt #: 12 total cpu time spent up to now is 105.6 secs Computing kpt #: 13 total cpu time spent up to now is 111.2 secs Computing kpt #: 14 total cpu time spent up to now is 116.8 secs Computing kpt #: 15 total cpu time spent up to now is 122.7 secs Computing kpt #: 16 total cpu time spent up to now is 128.1 secs Computing kpt #: 17 total cpu time spent up to now is 135.7 secs Computing kpt #: 18 total cpu time spent up to now is 142.6 secs Computing kpt #: 19 total cpu time spent up to now is 148.3 secs Computing kpt #: 20 total cpu time spent up to now is 154.1 secs Computing kpt #: 21 total cpu time spent up to now is 159.9 secs Computing kpt #: 22 total cpu time spent up to now is 165.8 secs Computing kpt #: 23 total cpu time spent up to now is 171.6 secs Computing kpt #: 24 total cpu time spent up to now is 177.5 secs Computing kpt #: 25 total cpu time spent up to now is 182.9 secs Computing kpt #: 26 total cpu time spent up to now is 188.5 secs Computing kpt #: 27 total cpu time spent up to now is 194.3 secs Computing kpt #: 28 total cpu time spent up to now is 200.3 secs Computing kpt #: 29 total cpu time spent up to now is 205.7 secs Computing kpt #: 30 total cpu time spent up to now is 211.5 secs Computing kpt #: 31 total cpu time spent up to now is 217.3 secs Computing kpt #: 32 total cpu time spent up to now is 223.1 secs Computing kpt #: 33 total cpu time spent up to now is 229.1 secs Computing kpt #: 34 total cpu time spent up to now is 235.1 secs Computing kpt #: 35 total cpu time spent up to now is 241.1 secs Computing kpt #: 36 total cpu time spent up to now is 247.0 secs Computing kpt #: 37 total cpu time spent up to now is 252.4 secs Computing kpt #: 38 total cpu time spent up to now is 257.8 secs Computing kpt #: 39 total cpu time spent up to now is 263.2 secs Computing kpt #: 40 total cpu time spent up to now is 268.6 secs Computing kpt #: 41 total cpu time spent up to now is 273.9 secs Computing kpt #: 42 total cpu time spent up to now is 279.3 secs Computing kpt #: 43 total cpu time spent up to now is 284.6 secs Computing kpt #: 44 total cpu time spent up to now is 290.0 secs Computing kpt #: 45 total cpu time spent up to now is 295.3 secs Computing kpt #: 46 total cpu time spent up to now is 300.8 secs Computing kpt #: 47 total cpu time spent up to now is 306.2 secs Computing kpt #: 48 total cpu time spent up to now is 311.9 secs Computing kpt #: 49 total cpu time spent up to now is 317.4 secs Computing kpt #: 50 total cpu time spent up to now is 323.0 secs Computing kpt #: 51 total cpu time spent up to now is 328.6 secs Computing kpt #: 52 total cpu time spent up to now is 334.4 secs Computing kpt #: 53 total cpu time spent up to now is 340.0 secs Computing kpt #: 54 total cpu time spent up to now is 345.4 secs Computing kpt #: 55 total cpu time spent up to now is 350.7 secs Computing kpt #: 56 total cpu time spent up to now is 356.1 secs Computing kpt #: 57 total cpu time spent up to now is 361.5 secs Computing kpt #: 58 total cpu time spent up to now is 366.8 secs Computing kpt #: 59 total cpu time spent up to now is 372.1 secs Computing kpt #: 60 total cpu time spent up to now is 377.4 secs Computing kpt #: 61 total cpu time spent up to now is 382.8 secs Computing kpt #: 62 total cpu time spent up to now is 388.1 secs Computing kpt #: 63 total cpu time spent up to now is 393.4 secs Computing kpt #: 64 total cpu time spent up to now is 398.7 secs Computing kpt #: 65 total cpu time spent up to now is 404.0 secs Computing kpt #: 66 total cpu time spent up to now is 409.5 secs Computing kpt #: 67 total cpu time spent up to now is 414.8 secs Computing kpt #: 68 total cpu time spent up to now is 420.3 secs Computing kpt #: 69 total cpu time spent up to now is 425.8 secs Computing kpt #: 70 total cpu time spent up to now is 431.3 secs Computing kpt #: 71 total cpu time spent up to now is 439.6 secs Computing kpt #: 72 total cpu time spent up to now is 445.1 secs Computing kpt #: 73 total cpu time spent up to now is 450.5 secs Computing kpt #: 74 total cpu time spent up to now is 455.9 secs Computing kpt #: 75 total cpu time spent up to now is 461.3 secs Computing kpt #: 76 total cpu time spent up to now is 466.8 secs Computing kpt #: 77 total cpu time spent up to now is 472.4 secs Computing kpt #: 78 total cpu time spent up to now is 477.9 secs Computing kpt #: 79 total cpu time spent up to now is 483.3 secs Computing kpt #: 80 total cpu time spent up to now is 488.9 secs Computing kpt #: 81 total cpu time spent up to now is 494.3 secs Computing kpt #: 82 total cpu time spent up to now is 503.1 secs Computing kpt #: 83 total cpu time spent up to now is 508.6 secs Computing kpt #: 84 total cpu time spent up to now is 514.4 secs Computing kpt #: 85 total cpu time spent up to now is 520.6 secs Computing kpt #: 86 total cpu time spent up to now is 527.1 secs Computing kpt #: 87 total cpu time spent up to now is 533.4 secs Computing kpt #: 88 total cpu time spent up to now is 539.9 secs Computing kpt #: 89 total cpu time spent up to now is 545.7 secs Computing kpt #: 90 total cpu time spent up to now is 551.6 secs Computing kpt #: 91 total cpu time spent up to now is 556.9 secs Computing kpt #: 92 total cpu time spent up to now is 562.5 secs Computing kpt #: 93 total cpu time spent up to now is 568.1 secs Computing kpt #: 94 total cpu time spent up to now is 574.0 secs Computing kpt #: 95 total cpu time spent up to now is 580.1 secs Computing kpt #: 96 total cpu time spent up to now is 586.1 secs Computing kpt #: 97 total cpu time spent up to now is 591.9 secs Computing kpt #: 98 total cpu time spent up to now is 597.2 secs Computing kpt #: 99 total cpu time spent up to now is 602.7 secs Computing kpt #: 100 total cpu time spent up to now is 608.2 secs Computing kpt #: 101 total cpu time spent up to now is 613.9 secs Computing kpt #: 102 total cpu time spent up to now is 619.3 secs Computing kpt #: 103 total cpu time spent up to now is 625.0 secs Computing kpt #: 104 total cpu time spent up to now is 630.5 secs Computing kpt #: 105 total cpu time spent up to now is 636.0 secs Computing kpt #: 106 total cpu time spent up to now is 641.4 secs Computing kpt #: 107 total cpu time spent up to now is 646.9 secs Computing kpt #: 108 total cpu time spent up to now is 652.2 secs Computing kpt #: 109 total cpu time spent up to now is 657.7 secs Computing kpt #: 110 total cpu time spent up to now is 662.9 secs Computing kpt #: 111 total cpu time spent up to now is 668.2 secs Computing kpt #: 112 total cpu time spent up to now is 673.5 secs Computing kpt #: 113 total cpu time spent up to now is 678.7 secs Computing kpt #: 114 total cpu time spent up to now is 684.1 secs Computing kpt #: 115 total cpu time spent up to now is 689.4 secs Computing kpt #: 116 total cpu time spent up to now is 694.8 secs Computing kpt #: 117 total cpu time spent up to now is 700.3 secs Computing kpt #: 118 total cpu time spent up to now is 705.8 secs Computing kpt #: 119 total cpu time spent up to now is 711.6 secs Computing kpt #: 120 total cpu time spent up to now is 717.1 secs Computing kpt #: 121 total cpu time spent up to now is 722.4 secs Computing kpt #: 122 total cpu time spent up to now is 728.2 secs Computing kpt #: 123 total cpu time spent up to now is 734.7 secs Computing kpt #: 124 total cpu time spent up to now is 741.8 secs Computing kpt #: 125 total cpu time spent up to now is 747.2 secs Computing kpt #: 126 total cpu time spent up to now is 752.5 secs Computing kpt #: 127 total cpu time spent up to now is 757.8 secs Computing kpt #: 128 total cpu time spent up to now is 763.1 secs Computing kpt #: 129 total cpu time spent up to now is 768.6 secs Computing kpt #: 130 total cpu time spent up to now is 774.1 secs Computing kpt #: 131 total cpu time spent up to now is 779.4 secs Computing kpt #: 132 total cpu time spent up to now is 784.7 secs Computing kpt #: 133 total cpu time spent up to now is 790.4 secs Computing kpt #: 134 total cpu time spent up to now is 796.6 secs Computing kpt #: 135 total cpu time spent up to now is 801.9 secs Computing kpt #: 136 total cpu time spent up to now is 807.2 secs Computing kpt #: 137 total cpu time spent up to now is 812.4 secs Computing kpt #: 138 total cpu time spent up to now is 817.5 secs Computing kpt #: 139 total cpu time spent up to now is 822.7 secs Computing kpt #: 140 total cpu time spent up to now is 827.9 secs Computing kpt #: 141 total cpu time spent up to now is 833.9 secs Computing kpt #: 142 total cpu time spent up to now is 839.1 secs Computing kpt #: 143 total cpu time spent up to now is 844.3 secs Computing kpt #: 144 total cpu time spent up to now is 850.5 secs Computing kpt #: 145 total cpu time spent up to now is 855.8 secs Computing kpt #: 146 total cpu time spent up to now is 861.1 secs Computing kpt #: 147 total cpu time spent up to now is 866.4 secs Computing kpt #: 148 total cpu time spent up to now is 871.8 secs Computing kpt #: 149 total cpu time spent up to now is 877.4 secs Computing kpt #: 150 total cpu time spent up to now is 882.7 secs Computing kpt #: 151 total cpu time spent up to now is 887.9 secs Computing kpt #: 152 total cpu time spent up to now is 893.2 secs Computing kpt #: 153 total cpu time spent up to now is 898.5 secs Computing kpt #: 154 total cpu time spent up to now is 903.9 secs Computing kpt #: 155 total cpu time spent up to now is 909.2 secs Computing kpt #: 156 total cpu time spent up to now is 914.9 secs Computing kpt #: 157 total cpu time spent up to now is 920.3 secs Computing kpt #: 158 total cpu time spent up to now is 925.8 secs Computing kpt #: 159 total cpu time spent up to now is 931.1 secs Computing kpt #: 160 total cpu time spent up to now is 936.5 secs Computing kpt #: 161 total cpu time spent up to now is 942.0 secs Computing kpt #: 162 total cpu time spent up to now is 947.6 secs Computing kpt #: 163 total cpu time spent up to now is 953.1 secs Computing kpt #: 164 total cpu time spent up to now is 958.5 secs Computing kpt #: 165 total cpu time spent up to now is 963.9 secs Computing kpt #: 166 total cpu time spent up to now is 969.3 secs Computing kpt #: 167 total cpu time spent up to now is 974.8 secs Computing kpt #: 168 total cpu time spent up to now is 980.5 secs Computing kpt #: 169 total cpu time spent up to now is 985.9 secs Computing kpt #: 170 total cpu time spent up to now is 991.3 secs Computing kpt #: 171 total cpu time spent up to now is 997.0 secs Computing kpt #: 172 total cpu time spent up to now is 1002.5 secs Computing kpt #: 173 total cpu time spent up to now is 1008.4 secs Computing kpt #: 174 total cpu time spent up to now is 1013.8 secs Computing kpt #: 175 total cpu time spent up to now is 1019.8 secs Computing kpt #: 176 total cpu time spent up to now is 1025.3 secs Computing kpt #: 177 total cpu time spent up to now is 1031.4 secs Computing kpt #: 178 total cpu time spent up to now is 1038.2 secs Computing kpt #: 179 total cpu time spent up to now is 1044.6 secs Computing kpt #: 180 total cpu time spent up to now is 1050.5 secs Computing kpt #: 181 total cpu time spent up to now is 1056.5 secs Computing kpt #: 182 total cpu time spent up to now is 1062.6 secs Computing kpt #: 183 total cpu time spent up to now is 1068.6 secs Computing kpt #: 184 total cpu time spent up to now is 1074.1 secs Computing kpt #: 185 total cpu time spent up to now is 1079.6 secs Computing kpt #: 186 total cpu time spent up to now is 1085.4 secs Computing kpt #: 187 total cpu time spent up to now is 1091.4 secs Computing kpt #: 188 total cpu time spent up to now is 1096.8 secs Computing kpt #: 189 total cpu time spent up to now is 1102.2 secs Computing kpt #: 190 total cpu time spent up to now is 1108.0 secs Computing kpt #: 191 total cpu time spent up to now is 1113.3 secs Computing kpt #: 192 total cpu time spent up to now is 1118.6 secs Computing kpt #: 193 total cpu time spent up to now is 1124.1 secs Computing kpt #: 194 total cpu time spent up to now is 1129.4 secs Computing kpt #: 195 total cpu time spent up to now is 1134.7 secs Computing kpt #: 196 total cpu time spent up to now is 1140.2 secs Computing kpt #: 197 total cpu time spent up to now is 1145.5 secs Computing kpt #: 198 total cpu time spent up to now is 1150.9 secs Computing kpt #: 199 total cpu time spent up to now is 1157.0 secs Computing kpt #: 200 total cpu time spent up to now is 1162.6 secs Computing kpt #: 201 total cpu time spent up to now is 1168.1 secs Computing kpt #: 202 total cpu time spent up to now is 1173.7 secs Computing kpt #: 203 total cpu time spent up to now is 1179.3 secs Computing kpt #: 204 total cpu time spent up to now is 1184.8 secs Computing kpt #: 205 total cpu time spent up to now is 1190.3 secs Computing kpt #: 206 total cpu time spent up to now is 1195.7 secs Computing kpt #: 207 total cpu time spent up to now is 1201.1 secs Computing kpt #: 208 total cpu time spent up to now is 1206.6 secs Computing kpt #: 209 total cpu time spent up to now is 1212.0 secs Computing kpt #: 210 total cpu time spent up to now is 1217.5 secs Computing kpt #: 211 total cpu time spent up to now is 1223.1 secs Computing kpt #: 212 total cpu time spent up to now is 1228.6 secs Computing kpt #: 213 total cpu time spent up to now is 1234.1 secs Computing kpt #: 214 total cpu time spent up to now is 1239.7 secs Computing kpt #: 215 total cpu time spent up to now is 1245.3 secs Computing kpt #: 216 total cpu time spent up to now is 1250.7 secs Computing kpt #: 217 total cpu time spent up to now is 1256.1 secs Computing kpt #: 218 total cpu time spent up to now is 1261.7 secs Computing kpt #: 219 total cpu time spent up to now is 1267.1 secs Computing kpt #: 220 total cpu time spent up to now is 1272.6 secs Computing kpt #: 221 total cpu time spent up to now is 1278.0 secs Computing kpt #: 222 total cpu time spent up to now is 1283.4 secs Computing kpt #: 223 total cpu time spent up to now is 1288.9 secs Computing kpt #: 224 total cpu time spent up to now is 1296.6 secs Computing kpt #: 225 total cpu time spent up to now is 1302.0 secs Computing kpt #: 226 total cpu time spent up to now is 1307.3 secs Computing kpt #: 227 total cpu time spent up to now is 1312.8 secs Computing kpt #: 228 total cpu time spent up to now is 1318.2 secs Computing kpt #: 229 total cpu time spent up to now is 1323.5 secs Computing kpt #: 230 total cpu time spent up to now is 1328.7 secs Computing kpt #: 231 total cpu time spent up to now is 1335.6 secs Computing kpt #: 232 total cpu time spent up to now is 1341.8 secs Computing kpt #: 233 total cpu time spent up to now is 1346.9 secs Computing kpt #: 234 total cpu time spent up to now is 1352.6 secs Computing kpt #: 235 total cpu time spent up to now is 1357.7 secs Computing kpt #: 236 total cpu time spent up to now is 1362.8 secs Computing kpt #: 237 total cpu time spent up to now is 1368.0 secs Computing kpt #: 238 total cpu time spent up to now is 1373.0 secs Computing kpt #: 239 total cpu time spent up to now is 1378.1 secs Computing kpt #: 240 total cpu time spent up to now is 1383.2 secs Computing kpt #: 241 total cpu time spent up to now is 1388.4 secs Computing kpt #: 242 total cpu time spent up to now is 1393.5 secs Computing kpt #: 243 total cpu time spent up to now is 1398.7 secs Computing kpt #: 244 total cpu time spent up to now is 1403.9 secs Computing kpt #: 245 total cpu time spent up to now is 1409.0 secs Computing kpt #: 246 total cpu time spent up to now is 1414.4 secs Computing kpt #: 247 total cpu time spent up to now is 1419.8 secs Computing kpt #: 248 total cpu time spent up to now is 1425.1 secs Computing kpt #: 249 total cpu time spent up to now is 1430.3 secs Computing kpt #: 250 total cpu time spent up to now is 1436.3 secs Computing kpt #: 251 total cpu time spent up to now is 1442.1 secs Computing kpt #: 252 total cpu time spent up to now is 1447.5 secs Computing kpt #: 253 total cpu time spent up to now is 1453.3 secs Computing kpt #: 254 total cpu time spent up to now is 1458.8 secs Computing kpt #: 255 total cpu time spent up to now is 1464.2 secs Computing kpt #: 256 total cpu time spent up to now is 1469.4 secs Computing kpt #: 257 total cpu time spent up to now is 1474.4 secs Computing kpt #: 258 total cpu time spent up to now is 1479.9 secs Computing kpt #: 259 total cpu time spent up to now is 1485.4 secs Computing kpt #: 260 total cpu time spent up to now is 1490.8 secs Computing kpt #: 261 total cpu time spent up to now is 1496.2 secs Computing kpt #: 262 total cpu time spent up to now is 1501.5 secs Computing kpt #: 263 total cpu time spent up to now is 1506.9 secs Computing kpt #: 264 total cpu time spent up to now is 1512.2 secs Computing kpt #: 265 total cpu time spent up to now is 1517.8 secs Computing kpt #: 266 total cpu time spent up to now is 1523.3 secs Computing kpt #: 267 total cpu time spent up to now is 1528.9 secs Computing kpt #: 268 total cpu time spent up to now is 1534.2 secs Computing kpt #: 269 total cpu time spent up to now is 1539.8 secs Computing kpt #: 270 total cpu time spent up to now is 1545.4 secs Computing kpt #: 271 total cpu time spent up to now is 1550.9 secs Computing kpt #: 272 total cpu time spent up to now is 1556.3 secs ethr = 1.92E-11, avg # of iterations = 38.0 total cpu time spent up to now is 1556.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5831 PWs) bands (ev): -7.8919 -7.8919 -6.4458 -6.4458 -6.3007 -6.3007 -6.2860 -6.2860 -2.1439 -2.1439 -1.4275 -1.4275 -1.3352 -1.3352 -1.2022 -1.2022 -1.0845 -1.0845 0.0252 0.0252 0.2465 0.2465 0.3746 0.3746 0.5175 0.5175 0.5325 0.5325 0.6072 0.6072 1.3898 1.3898 2.0723 2.0723 2.5269 2.5269 2.6039 2.6039 2.6080 2.6080 3.9068 3.9068 4.2652 4.2652 4.3621 4.3621 5.8442 5.8442 6.1337 6.1337 6.1955 6.1955 6.6499 6.6499 8.2001 8.2001 8.6737 8.6737 9.3778 9.3778 10.3598 10.3598 k = 0.0000 0.0000 0.0215 ( 5831 PWs) bands (ev): -7.8913 -7.8912 -6.4462 -6.4455 -6.3013 -6.3012 -6.2866 -6.2865 -2.1464 -2.1406 -1.4303 -1.4247 -1.3398 -1.3304 -1.2044 -1.2001 -1.0924 -1.0761 0.0203 0.0305 0.2418 0.2508 0.3611 0.3875 0.5136 0.5181 0.5326 0.5365 0.6053 0.6101 1.3867 1.3936 2.0635 2.0719 2.5032 2.5460 2.5788 2.6044 2.6204 2.6364 3.8948 3.9156 4.2518 4.2781 4.3606 4.3658 5.8354 5.8424 6.1222 6.1290 6.1813 6.1846 6.6712 6.6732 8.2015 8.2080 8.6724 8.6844 9.3729 9.3770 10.3583 10.3635 k = 0.0000 0.0000 0.0430 ( 5823 PWs) bands (ev): -7.8894 -7.8892 -6.4465 -6.4452 -6.3031 -6.3028 -6.2883 -6.2882 -2.1482 -2.1366 -1.4330 -1.4220 -1.3442 -1.3255 -1.2065 -1.1979 -1.0995 -1.0673 0.0158 0.0361 0.2366 0.2545 0.3476 0.3989 0.5087 0.5159 0.5356 0.5430 0.6047 0.6139 1.3844 1.3979 2.0467 2.0620 2.4788 2.5328 2.5880 2.6131 2.6409 2.6688 3.8807 3.9204 4.2375 4.2877 4.3607 4.3760 5.8154 5.8281 6.0900 6.0972 6.1580 6.1694 6.7279 6.7316 8.2116 8.2252 8.6807 8.7049 9.3625 9.3707 10.3593 10.3692 k = 0.0000 0.0000 0.0646 ( 5831 PWs) bands (ev): -7.8862 -7.8859 -6.4468 -6.4449 -6.3060 -6.3055 -6.2911 -6.2910 -2.1493 -2.1320 -1.4356 -1.4193 -1.3483 -1.3207 -1.2086 -1.1956 -1.1060 -1.0580 0.0118 0.0421 0.2311 0.2575 0.3348 0.4077 0.5045 0.5129 0.5394 0.5505 0.6057 0.6186 1.3830 1.4024 2.0237 2.0436 2.4546 2.5052 2.6160 2.6310 2.6669 2.7010 3.8656 3.9210 4.2200 4.2897 4.3658 4.3963 5.7818 5.7971 6.0368 6.0472 6.1406 6.1630 6.8047 6.8101 8.2290 8.2504 8.6990 8.7357 9.3471 9.3591 10.3626 10.3765 k = 0.0000 0.0000 0.0861 ( 5831 PWs) bands (ev): -7.8816 -7.8813 -6.4471 -6.4446 -6.3102 -6.3095 -6.2948 -6.2947 -2.1496 -2.1268 -1.4380 -1.4168 -1.3521 -1.3159 -1.2106 -1.1933 -1.1117 -1.0484 0.0081 0.0485 0.2253 0.2597 0.3231 0.4131 0.5018 0.5097 0.5432 0.5581 0.6085 0.6242 1.3825 1.4070 1.9962 2.0183 2.4314 2.4781 2.6490 2.6533 2.6974 2.7330 3.8504 3.9176 4.1982 4.2826 4.3805 4.4259 5.7312 5.7451 5.9802 5.9989 6.1268 6.1585 6.8915 6.8984 8.2517 8.2818 8.7284 8.7777 9.3273 9.3427 10.3680 10.3848 k = 0.0000 0.0000 0.1076 ( 5843 PWs) bands (ev): -7.8758 -7.8754 -6.4475 -6.4444 -6.3156 -6.3146 -6.2994 -6.2991 -2.1491 -2.1210 -1.4402 -1.4144 -1.3554 -1.3112 -1.2126 -1.1909 -1.1166 -1.0388 0.0049 0.0552 0.2194 0.2608 0.3130 0.4148 0.5008 0.5066 0.5465 0.5656 0.6130 0.6310 1.3827 1.4111 1.9657 1.9880 2.4101 2.4534 2.6715 2.6899 2.7299 2.7670 3.8357 3.9111 4.1735 4.2689 4.4052 4.4624 5.6623 5.6728 5.9296 5.9588 6.1137 6.1534 6.9830 6.9912 8.2776 8.3170 8.7700 8.8312 9.3038 9.3222 10.3753 10.3939 k = 0.0000 0.0000 0.1291 ( 5835 PWs) bands (ev): -7.8688 -7.8682 -6.4479 -6.4443 -6.3223 -6.3211 -6.3046 -6.3043 -2.1478 -2.1147 -1.4421 -1.4122 -1.3582 -1.3067 -1.2146 -1.1885 -1.1207 -1.0292 0.0021 0.0622 0.2134 0.2604 0.3048 0.4131 0.5008 0.5039 0.5491 0.5727 0.6186 0.6394 1.3834 1.4143 1.9330 1.9543 2.3914 2.4320 2.6872 2.7338 2.7591 2.8068 3.8218 3.9019 4.1486 4.2523 4.4381 4.5037 5.5783 5.5861 5.8854 5.9243 6.1009 6.1471 7.0763 7.0856 8.3052 8.3536 8.8247 8.8963 9.2772 9.2985 10.3840 10.4035 k = 0.0000 0.0000 0.1507 ( 5832 PWs) bands (ev): -7.8605 -7.8598 -6.4484 -6.4442 -6.3303 -6.3288 -6.3105 -6.3100 -2.1457 -2.1080 -1.4438 -1.4103 -1.3606 -1.3025 -1.2165 -1.1859 -1.1240 -1.0198 -0.0002 0.0695 0.2076 0.2585 0.2988 0.4088 0.4989 0.5042 0.5510 0.5795 0.6245 0.6496 1.3844 1.4162 1.8988 1.9186 2.3761 2.4146 2.6977 2.7741 2.7892 2.8537 3.8089 3.8907 4.1263 4.2360 4.4771 4.5485 5.4841 5.4908 5.8445 5.8911 6.0884 6.1398 7.1698 7.1798 8.3333 8.3896 8.8925 8.9720 9.2484 9.2725 10.3937 10.4134 k = 0.0000 0.0000 0.1722 ( 5836 PWs) bands (ev): -7.8510 -7.8502 -6.4490 -6.4444 -6.3394 -6.3378 -6.3170 -6.3163 -2.1429 -2.1008 -1.4450 -1.4086 -1.3624 -1.2986 -1.2184 -1.1834 -1.1264 -1.0107 -0.0021 0.0771 0.2020 0.2549 0.2949 0.4026 0.4957 0.5062 0.5522 0.5860 0.6300 0.6611 1.3853 1.4162 1.8633 1.8821 2.3649 2.4018 2.7026 2.7912 2.8393 2.9060 3.7973 3.8780 4.1092 4.2223 4.5207 4.5959 5.3843 5.3906 5.8040 5.8563 6.0763 6.1315 7.2622 7.2726 8.3611 8.4240 8.9723 9.0570 9.2180 9.2454 10.4041 10.4238 k = 0.0000 0.0000 0.1937 ( 5836 PWs) bands (ev): -7.8404 -7.8395 -6.4498 -6.4448 -6.3494 -6.3477 -6.3239 -6.3231 -2.1393 -2.0933 -1.4459 -1.4072 -1.3637 -1.2951 -1.2201 -1.1808 -1.1279 -1.0022 -0.0036 0.0848 0.1967 0.2503 0.2925 0.3954 0.4923 0.5086 0.5530 0.5925 0.6349 0.6731 1.3855 1.4138 1.8264 1.8459 2.3584 2.3942 2.7018 2.7989 2.8954 2.9620 3.7874 3.8646 4.0991 4.2130 4.5676 4.6452 5.2818 5.2878 5.7619 5.8184 6.0647 6.1224 7.3526 7.3629 8.3884 8.4564 9.0598 9.1476 9.1875 9.2214 10.4147 10.4351 k = 0.0000 0.0000 0.2152 ( 5838 PWs) bands (ev): -7.8287 -7.8276 -6.4509 -6.4456 -6.3601 -6.3586 -6.3313 -6.3304 -2.1350 -2.0854 -1.4463 -1.4060 -1.3645 -1.2919 -1.2217 -1.1784 -1.1283 -0.9943 -0.0045 0.0927 0.1918 0.2452 0.2910 0.3876 0.4887 0.5110 0.5536 0.5987 0.6394 0.6846 1.3842 1.4085 1.7882 1.8107 2.3571 2.3923 2.6955 2.7999 2.9545 3.0209 3.7796 3.8521 4.0963 4.2090 4.6171 4.6958 5.1785 5.1841 5.7173 5.7765 6.0534 6.1125 7.4405 7.4501 8.4153 8.4870 9.1291 9.1574 9.2109 9.2554 10.4254 10.4476 k = 0.0000 0.0000 0.2368 ( 5842 PWs) bands (ev): -7.8158 -7.8146 -6.4524 -6.4469 -6.3714 -6.3700 -6.3392 -6.3382 -2.1300 -2.0773 -1.4464 -1.4050 -1.3647 -1.2891 -1.2232 -1.1763 -1.1276 -0.9872 -0.0051 0.1007 0.1874 0.2401 0.2899 0.3796 0.4851 0.5133 0.5541 0.6046 0.6435 0.6952 1.3807 1.4001 1.7490 1.7765 2.3612 2.3963 2.6843 2.7949 3.0158 3.0819 3.7748 3.8419 4.1005 4.2107 4.6683 4.7470 5.0753 5.0817 5.6696 5.7307 6.0424 6.1021 7.5251 7.5335 8.4417 8.5159 9.1154 9.1355 9.2923 9.3549 10.4363 10.4617 k = 0.0000 0.0000 0.2583 ( 5836 PWs) bands (ev): -7.8020 -7.8007 -6.4545 -6.4490 -6.3828 -6.3818 -6.3475 -6.3464 -2.1244 -2.0690 -1.4461 -1.4042 -1.3646 -1.2867 -1.2244 -1.1746 -1.1256 -0.9810 -0.0051 0.1085 0.1834 0.2353 0.2888 0.3716 0.4812 0.5156 0.5547 0.6102 0.6471 0.7043 1.3740 1.3886 1.7093 1.7429 2.3706 2.4064 2.6698 2.7852 3.0788 3.1445 3.7736 3.8353 4.1105 4.2176 4.7206 4.7970 4.9731 4.9838 5.6187 5.6809 6.0315 6.0910 7.6060 7.6128 8.4677 8.5435 9.0834 9.1066 9.3999 9.4580 10.4479 10.4775 k = 0.0000 0.0000 0.2798 ( 5832 PWs) bands (ev): -7.7873 -7.7857 -6.4574 -6.4522 -6.3942 -6.3932 -6.3562 -6.3550 -2.1181 -2.0606 -1.4454 -1.4035 -1.3641 -1.2847 -1.2253 -1.1734 -1.1224 -0.9758 -0.0048 0.1161 0.1800 0.2312 0.2875 0.3639 0.4773 0.5177 0.5555 0.6152 0.6505 0.7116 1.3628 1.3748 1.6693 1.7095 2.3845 2.4220 2.6541 2.7725 3.1427 3.2080 3.7767 3.8334 4.1249 4.2289 4.7733 4.8325 4.8741 4.9040 5.5645 5.6275 6.0205 6.0795 7.6830 7.6876 8.4930 8.5696 9.0499 9.0750 9.5121 9.5604 10.4606 10.4953 k = 0.0000 0.0000 0.3013 ( 5832 PWs) bands (ev): -7.7716 -7.7699 -6.4617 -6.4570 -6.4053 -6.4034 -6.3652 -6.3640 -2.1113 -2.0520 -1.4444 -1.4028 -1.3633 -1.2832 -1.2258 -1.1726 -1.1180 -0.9716 -0.0040 0.1229 0.1772 0.2279 0.2859 0.3566 0.4731 0.5196 0.5566 0.6195 0.6537 0.7171 1.3463 1.3592 1.6292 1.6759 2.4012 2.4416 2.6409 2.7597 3.2065 3.2715 3.7844 3.8365 4.1415 4.2433 4.7705 4.7866 4.8281 4.9183 5.5072 5.5708 6.0092 6.0674 7.7555 7.7577 8.5175 8.5942 9.0157 9.0421 9.6241 9.6594 10.4749 10.5151 k = 0.0000 0.0000 0.3229 ( 5828 PWs) bands (ev): -7.7551 -7.7532 -6.4679 -6.4638 -6.4155 -6.4120 -6.3745 -6.3733 -2.1039 -2.0433 -1.4431 -1.4021 -1.3623 -1.2822 -1.2261 -1.1723 -1.1125 -0.9686 -0.0029 0.1285 0.1755 0.2255 0.2838 0.3500 0.4687 0.5213 0.5579 0.6228 0.6568 0.7206 1.3254 1.3412 1.5890 1.6416 2.4180 2.4619 2.6356 2.7504 3.2690 3.3337 3.7970 3.8449 4.1580 4.2592 4.6811 4.7094 4.8803 4.9668 5.4471 5.5114 5.9976 6.0547 7.8229 7.8235 8.5407 8.6168 8.9807 9.0081 9.7332 9.7531 10.4912 10.5369 k = 0.0000 0.0000 0.3444 ( 5832 PWs) bands (ev): -7.7379 -7.7358 -6.4764 -6.4725 -6.4240 -6.4188 -6.3841 -6.3829 -2.0961 -2.0345 -1.4417 -1.4014 -1.3612 -1.2816 -1.2259 -1.1722 -1.1061 -0.9666 -0.0014 0.1321 0.1756 0.2242 0.2813 0.3440 0.4641 0.5228 0.5595 0.6249 0.6600 0.7223 1.3013 1.3198 1.5489 1.6061 2.4311 2.4780 2.6448 2.7494 3.3285 3.3928 3.8146 3.8587 4.1707 4.2738 4.5995 4.6435 4.9323 5.0176 5.3847 5.4500 5.9856 6.0414 7.8834 7.8867 8.5619 8.6371 8.9447 8.9728 9.8364 9.8401 10.5094 10.5605 k = 0.0000 0.0000 0.3659 ( 5830 PWs) bands (ev): -7.7200 -7.7177 -6.4871 -6.4832 -6.4308 -6.4241 -6.3938 -6.3926 -2.0878 -2.0257 -1.4400 -1.4006 -1.3599 -1.2814 -1.2254 -1.1723 -1.0990 -0.9656 0.0004 0.1330 0.1779 0.2240 0.2783 0.3389 0.4592 0.5242 0.5615 0.6257 0.6634 0.7222 1.2750 1.2948 1.5088 1.5693 2.4377 2.4860 2.6729 2.7610 3.3823 3.4461 3.8377 3.8779 4.1753 4.2827 4.5333 4.5953 4.9830 5.0681 5.3207 5.3874 5.9730 6.0275 7.9390 7.9450 8.5802 8.6545 8.9075 8.9359 9.9176 9.9337 10.5287 10.5848 k = 0.0000 0.0000 0.3874 ( 5830 PWs) bands (ev): -7.7015 -7.6990 -6.4993 -6.4953 -6.4362 -6.4285 -6.4036 -6.4024 -2.0792 -2.0170 -1.4383 -1.3997 -1.3586 -1.2817 -1.2245 -1.1724 -1.0913 -0.9657 0.0025 0.1315 0.1824 0.2248 0.2749 0.3348 0.4541 0.5253 0.5636 0.6251 0.6667 0.7206 1.2471 1.2665 1.4691 1.5310 2.4382 2.4868 2.7177 2.7877 3.4271 3.4901 3.8664 3.9030 4.1692 4.2793 4.4924 4.5689 5.0312 5.1165 5.2567 5.3252 5.9598 6.0130 7.9899 7.9986 8.5944 8.6683 8.8687 8.8969 9.9872 10.0217 10.5480 10.6077 k = 0.0000 0.0000 0.4090 ( 5834 PWs) bands (ev): -7.6826 -7.6799 -6.5125 -6.5084 -6.4406 -6.4324 -6.4133 -6.4123 -2.0702 -2.0082 -1.4365 -1.3987 -1.3572 -1.2822 -1.2234 -1.1726 -1.0831 -0.9667 0.0048 0.1281 0.1883 0.2264 0.2711 0.3316 0.4488 0.5263 0.5659 0.6230 0.6697 0.7175 1.2178 1.2355 1.4302 1.4913 2.4357 2.4831 2.7746 2.8287 3.4587 3.5201 3.9011 3.9346 4.1544 4.2617 4.4824 4.5636 5.0739 5.1517 5.2045 5.2669 5.9459 5.9978 8.0362 8.0473 8.6029 8.6781 8.8284 8.8556 10.0486 10.1009 10.5657 10.6266 k = 0.0000 0.0000 0.4305 ( 5850 PWs) bands (ev): -7.6633 -7.6604 -6.5261 -6.5220 -6.4446 -6.4362 -6.4230 -6.4220 -2.0610 -1.9996 -1.4348 -1.3976 -1.3558 -1.2831 -1.2222 -1.1726 -1.0747 -0.9685 0.0074 0.1236 0.1949 0.2289 0.2670 0.3293 0.4432 0.5272 0.5683 0.6196 0.6722 0.7131 1.1865 1.2033 1.3924 1.4505 2.4335 2.4779 2.8398 2.8815 3.4728 3.5321 3.9407 3.9729 4.1380 4.2412 4.4962 4.5748 5.0973 5.1163 5.2217 5.2277 5.9314 5.9819 8.0779 8.0912 8.6037 8.6832 8.7868 8.8120 10.1031 10.1716 10.5808 10.6403 k = 0.0000 0.0000 0.4520 ( 5862 PWs) bands (ev): -7.6437 -7.6406 -6.5398 -6.5357 -6.4485 -6.4407 -6.4325 -6.4311 -2.0515 -1.9910 -1.4331 -1.3964 -1.3545 -1.2843 -1.2208 -1.1723 -1.0662 -0.9710 0.0101 0.1186 0.2019 0.2319 0.2628 0.3280 0.4375 0.5280 0.5706 0.6148 0.6737 0.7076 1.1516 1.1725 1.3563 1.4090 2.4337 2.4736 2.9107 2.9435 3.4673 3.5238 3.9823 4.0171 4.1275 4.2318 4.5228 4.5968 5.0490 5.0883 5.2229 5.2699 5.9161 5.9653 8.1150 8.1301 8.5942 8.6827 8.7440 8.7675 10.1524 10.2350 10.5933 10.6501 k = 0.0000 0.0000 0.4735 ( 5854 PWs) bands (ev): -7.6240 -7.6207 -6.5533 -6.5493 -6.4526 -6.4469 -6.4419 -6.4383 -2.0419 -1.9825 -1.4315 -1.3952 -1.3531 -1.2857 -1.2195 -1.1718 -1.0578 -0.9739 0.0130 0.1134 0.2089 0.2352 0.2586 0.3277 0.4315 0.5286 0.5727 0.6085 0.6738 0.7011 1.1131 1.1445 1.3224 1.3677 2.4373 2.4718 2.9851 3.0127 3.4429 3.4960 4.0217 4.0624 4.1295 4.2411 4.5554 4.6250 4.9895 5.0446 5.2536 5.3147 5.9001 5.9480 8.1469 8.1638 8.5721 8.6741 8.6998 8.7264 10.1982 10.2927 10.6039 10.6581 k = 0.0000 0.0000 0.4951 ( 5858 PWs) bands (ev): -7.6042 -7.6007 -6.5664 -6.5626 -6.4577 -6.4547 -6.4507 -6.4435 -2.0322 -1.9742 -1.4300 -1.3940 -1.3518 -1.2874 -1.2182 -1.1709 -1.0497 -0.9771 0.0160 0.1083 0.2157 0.2383 0.2550 0.3282 0.4254 0.5291 0.5744 0.6009 0.6721 0.6936 1.0726 1.1189 1.2909 1.3271 2.4448 2.4736 3.0612 3.0872 3.4033 3.4525 4.0557 4.0945 4.1562 4.2694 4.5893 4.6556 4.9362 4.9995 5.2917 5.3587 5.8834 5.9300 8.1725 8.1914 8.5378 8.6391 8.6700 8.6919 10.2422 10.3461 10.6138 10.6657 k = 0.0000 0.0000 0.5166 ( 5856 PWs) bands (ev): -7.5846 -7.5809 -6.5790 -6.5753 -6.4651 -6.4630 -6.4573 -6.4481 -2.0225 -1.9661 -1.4286 -1.3930 -1.3505 -1.2893 -1.2171 -1.1697 -1.0422 -0.9801 0.0192 0.1036 0.2220 0.2404 0.2530 0.3298 0.4192 0.5295 0.5755 0.5917 0.6683 0.6850 1.0318 1.0956 1.2620 1.2881 2.4563 2.4796 3.1371 3.1652 3.3530 3.3979 4.0835 4.1103 4.2057 4.3116 4.6198 4.6843 4.8957 4.9642 5.3306 5.4014 5.8661 5.9113 8.1895 8.2112 8.4958 8.5857 8.6476 8.6621 10.2856 10.3966 10.6236 10.6737 k = 0.0000 0.0000 0.5381 ( 5848 PWs) bands (ev): -7.5651 -7.5613 -6.5909 -6.5875 -6.4737 -6.4718 -6.4623 -6.4526 -2.0127 -1.9582 -1.4273 -1.3921 -1.3493 -1.2914 -1.2161 -1.1682 -1.0358 -0.9826 0.0225 0.0995 0.2267 0.2412 0.2535 0.3322 0.4129 0.5296 0.5757 0.5811 0.6620 0.6754 0.9922 1.0748 1.2357 1.2515 2.4717 2.4901 3.2095 3.2438 3.2978 3.3381 4.1046 4.1219 4.2617 4.3613 4.6405 4.7044 4.8780 4.9473 5.3685 5.4429 5.8482 5.8920 8.1930 8.2194 8.4543 8.5325 8.6184 8.6335 10.3295 10.4453 10.6341 10.6824 k = 0.0000 0.0000 0.5596 ( 5848 PWs) bands (ev): -7.5460 -7.5421 -6.6021 -6.5988 -6.4823 -6.4806 -6.4670 -6.4573 -2.0030 -1.9506 -1.4261 -1.3914 -1.3481 -1.2938 -1.2153 -1.1665 -1.0307 -0.9840 0.0259 0.0961 0.2278 0.2433 0.2559 0.3356 0.4065 0.5293 0.5685 0.5750 0.6532 0.6646 0.9552 1.0566 1.2108 1.2193 2.4906 2.5052 3.2257 3.2590 3.3054 3.3244 4.1166 4.1329 4.3180 4.4133 4.6469 4.7122 4.8905 4.9552 5.4048 5.4831 5.8297 5.8722 8.1759 8.2098 8.4232 8.4871 8.5842 8.6019 10.3747 10.4925 10.6455 10.6920 k = 0.0000 0.0000 0.5812 ( 5840 PWs) bands (ev): -7.5274 -7.5234 -6.6124 -6.6093 -6.4907 -6.4891 -6.4716 -6.4622 -1.9934 -1.9433 -1.4249 -1.3909 -1.3470 -1.2963 -1.2145 -1.1647 -1.0272 -0.9840 0.0294 0.0937 0.2250 0.2480 0.2589 0.3399 0.4001 0.5283 0.5548 0.5721 0.6424 0.6526 0.9221 1.0407 1.1841 1.1953 2.5126 2.5249 3.1676 3.1989 3.3662 3.3968 4.1195 4.1414 4.3730 4.4647 4.6442 4.7131 4.9279 4.9865 5.4390 5.5220 5.8109 5.8519 8.1340 8.1763 8.4077 8.4548 8.5472 8.5663 10.4214 10.5382 10.6577 10.7025 k = 0.0000 0.0000 0.6027 ( 5842 PWs) bands (ev): -7.5095 -7.5054 -6.6218 -6.6189 -6.4988 -6.4973 -6.4764 -6.4673 -1.9840 -1.9364 -1.4238 -1.3908 -1.3460 -1.2989 -1.2137 -1.1631 -1.0254 -0.9825 0.0331 0.0923 0.2206 0.2536 0.2621 0.3448 0.3937 0.5244 0.5416 0.5667 0.6300 0.6399 0.8940 1.0268 1.1585 1.1772 2.5375 2.5490 3.1065 3.1341 3.4285 3.4631 4.1158 4.1442 4.4264 4.5145 4.6427 4.7151 4.9798 5.0344 5.4711 5.5598 5.7920 5.8315 8.0722 8.1201 8.4010 8.4323 8.5111 8.5306 10.4698 10.5814 10.6707 10.7137 k = 0.0000 0.0000 0.6242 ( 5826 PWs) bands (ev): -7.4923 -7.4883 -6.6302 -6.6275 -6.5065 -6.5051 -6.4813 -6.4725 -1.9748 -1.9299 -1.4228 -1.3909 -1.3450 -1.3017 -1.2129 -1.1619 -1.0245 -0.9800 0.0370 0.0921 0.2153 0.2589 0.2654 0.3504 0.3874 0.5122 0.5342 0.5579 0.6167 0.6276 0.8714 1.0139 1.1370 1.1624 2.5651 2.5765 3.0471 3.0714 3.4815 3.5183 4.1089 4.1424 4.4790 4.5632 4.6483 4.7222 5.0392 5.0925 5.5010 5.5963 5.7733 5.8111 7.9982 8.0480 8.3859 8.4082 8.4827 8.5057 10.5198 10.6205 10.6842 10.7255 k = 0.0000 0.0000 0.6457 ( 5836 PWs) bands (ev): -7.4761 -7.4721 -6.6375 -6.6350 -6.5138 -6.5125 -6.4862 -6.4780 -1.9658 -1.9239 -1.4218 -1.3915 -1.3441 -1.3045 -1.2120 -1.1613 -1.0238 -0.9771 0.0412 0.0932 0.2094 0.2632 0.2693 0.3563 0.3811 0.4933 0.5309 0.5453 0.6032 0.6171 0.8544 1.0012 1.1205 1.1505 2.5949 2.6063 2.9909 3.0131 3.5204 3.5579 4.1036 4.1400 4.5311 4.6107 4.6625 4.7357 5.1014 5.1560 5.5284 5.6315 5.7555 5.7913 7.9176 7.9667 8.3476 8.3721 8.4722 8.4984 10.5709 10.6536 10.6981 10.7368 k = 0.0000 0.0000 0.6673 ( 5832 PWs) bands (ev): -7.4609 -7.4570 -6.6438 -6.6415 -6.5207 -6.5194 -6.4911 -6.4834 -1.9572 -1.9184 -1.4208 -1.3923 -1.3432 -1.3073 -1.2110 -1.1614 -1.0228 -0.9743 0.0457 0.0956 0.2030 0.2661 0.2738 0.3618 0.3753 0.4723 0.5261 0.5310 0.5904 0.6088 0.8425 0.9881 1.1091 1.1411 2.6260 2.6368 2.9394 2.9619 3.5411 3.5779 4.1048 4.1420 4.5820 4.6523 4.6896 4.7557 5.1631 5.2212 5.5533 5.6640 5.7402 5.7730 7.8343 7.8811 8.2957 8.3214 8.4766 8.5014 10.6216 10.6798 10.7117 10.7457 k = 0.0000 0.0000 0.6888 ( 5824 PWs) bands (ev): -7.4469 -7.4432 -6.6491 -6.6470 -6.5270 -6.5257 -6.4959 -6.4889 -1.9489 -1.9136 -1.4199 -1.3935 -1.3423 -1.3101 -1.2097 -1.1624 -1.0211 -0.9719 0.0509 0.0994 0.1961 0.2676 0.2781 0.3634 0.3732 0.4513 0.5099 0.5249 0.5794 0.6021 0.8351 0.9741 1.1024 1.1339 2.6550 2.6659 2.8948 2.9220 3.5416 3.5769 4.1158 4.1515 4.6287 4.6803 4.7355 4.7833 5.2218 5.2842 5.5751 5.6881 5.7323 5.7592 7.7511 7.7945 8.2382 8.2635 8.4864 8.5085 10.6688 10.7000 10.7251 10.7506 k = 0.0000 0.0000 0.7103 ( 5828 PWs) bands (ev): -7.4341 -7.4307 -6.6534 -6.6515 -6.5327 -6.5315 -6.5004 -6.4942 -1.9411 -1.9094 -1.4189 -1.3950 -1.3414 -1.3128 -1.2082 -1.1643 -1.0184 -0.9704 0.0567 0.1045 0.1885 0.2674 0.2820 0.3586 0.3768 0.4326 0.4910 0.5189 0.5711 0.5965 0.8314 0.9596 1.0995 1.1287 2.6749 2.6901 2.8623 2.8991 3.5234 3.5570 4.1356 4.1685 4.6673 4.7017 4.7912 4.8208 5.2750 5.3407 5.5929 5.6920 5.7347 5.7618 7.6703 7.7099 8.1788 8.2032 8.4975 8.5168 10.7049 10.7155 10.7398 10.7520 k = 0.0000 0.0000 0.7318 ( 5828 PWs) bands (ev): -7.4228 -7.4198 -6.6568 -6.6551 -6.5379 -6.5368 -6.5046 -6.4992 -1.9337 -1.9060 -1.4179 -1.3968 -1.3404 -1.3155 -1.2065 -1.1669 -1.0148 -0.9697 0.0634 0.1110 0.1804 0.2643 0.2856 0.3523 0.3799 0.4193 0.4725 0.5110 0.5659 0.5915 0.8308 0.9448 1.0993 1.1250 2.6795 2.7003 2.8527 2.8987 3.4902 3.5227 4.1611 4.1901 4.6956 4.7202 4.8508 4.8684 5.3206 5.3860 5.6053 5.6850 5.7376 5.7854 7.5944 7.6297 8.1203 8.1433 8.5085 8.5249 10.7239 10.7263 10.7496 10.7565 k = 0.0000 0.0000 0.7534 ( 5840 PWs) bands (ev): -7.4130 -7.4104 -6.6594 -6.6579 -6.5424 -6.5413 -6.5084 -6.5038 -1.9270 -1.9035 -1.4168 -1.3988 -1.3392 -1.3182 -1.2044 -1.1701 -1.0104 -0.9699 0.0709 0.1188 0.1717 0.2570 0.2891 0.3461 0.3795 0.4143 0.4552 0.5016 0.5631 0.5869 0.8326 0.9302 1.1009 1.1225 2.6705 2.6908 2.8713 2.9193 3.4467 3.4786 4.1883 4.2129 4.7159 4.7354 4.9113 4.9227 5.3566 5.4160 5.6125 5.6766 5.7506 5.8126 7.5257 7.5562 8.0650 8.0861 8.5186 8.5322 10.7278 10.7379 10.7492 10.7643 k = 0.0000 0.0000 0.7749 ( 5838 PWs) bands (ev): -7.4049 -7.4026 -6.6612 -6.6599 -6.5463 -6.5453 -6.5115 -6.5078 -1.9209 -1.9018 -1.4156 -1.4009 -1.3379 -1.3207 -1.2020 -1.1737 -1.0055 -0.9711 0.0793 0.1279 0.1624 0.2453 0.2930 0.3402 0.3773 0.4161 0.4400 0.4914 0.5623 0.5827 0.8365 0.9161 1.1035 1.1207 2.6552 2.6713 2.9080 2.9536 3.3970 3.4286 4.2142 4.2341 4.7311 4.7468 4.9702 4.9786 5.3815 5.4295 5.6174 5.6695 5.7739 5.8371 7.4663 7.4918 8.0154 8.0340 8.5275 8.5384 10.7278 10.7434 10.7510 10.7685 k = 0.0000 0.0000 0.7964 ( 5834 PWs) bands (ev): -7.3983 -7.3966 -6.6623 -6.6614 -6.5493 -6.5484 -6.5140 -6.5112 -1.9155 -1.9010 -1.4142 -1.4031 -1.3363 -1.3233 -1.1993 -1.1776 -1.0002 -0.9733 0.0886 0.1381 0.1530 0.2303 0.2975 0.3341 0.3769 0.4176 0.4305 0.4810 0.5627 0.5787 0.8422 0.9027 1.1066 1.1193 2.6398 2.6513 2.9528 2.9945 3.3450 3.3761 4.2366 4.2516 4.7426 4.7547 5.0242 5.0312 5.3947 5.4293 5.6230 5.6640 5.8019 5.8562 7.4186 7.4384 7.9742 7.9894 8.5349 8.5431 10.7270 10.7407 10.7579 10.7713 k = 0.0000 0.0000 0.8179 ( 5846 PWs) bands (ev): -7.3936 -7.3924 -6.6630 -6.6623 -6.5514 -6.5508 -6.5157 -6.5139 -1.9108 -1.9011 -1.4128 -1.4053 -1.3345 -1.3258 -1.1963 -1.1816 -0.9948 -0.9763 0.0986 0.1404 0.1526 0.2136 0.3025 0.3276 0.3794 0.4096 0.4339 0.4706 0.5640 0.5750 0.8493 0.8900 1.1096 1.1181 2.6276 2.6350 3.0001 3.0360 3.2955 3.3242 4.2542 4.2642 4.7512 4.7595 5.0695 5.0752 5.3987 5.4206 5.6305 5.6594 5.8289 5.8681 7.3842 7.3979 7.9436 7.9544 8.5407 8.5461 10.7267 10.7365 10.7641 10.7728 k = 0.0000 0.0000 0.8395 ( 5854 PWs) bands (ev): -7.3905 -7.3899 -6.6633 -6.6630 -6.5527 -6.5524 -6.5166 -6.5157 -1.9071 -1.9021 -1.4111 -1.4074 -1.3326 -1.3281 -1.1930 -1.1856 -0.9896 -0.9801 0.1091 0.1305 0.1654 0.1967 0.3082 0.3209 0.3843 0.3998 0.4418 0.4605 0.5660 0.5716 0.8578 0.8783 1.1124 1.1166 2.6205 2.6241 3.0441 3.0682 3.2577 3.2782 4.2660 4.2710 4.7571 4.7613 5.1013 5.1047 5.3988 5.4094 5.6390 5.6540 5.8510 5.8714 7.3646 7.3716 7.9256 7.9313 8.5447 8.5474 10.7275 10.7326 10.7687 10.7731 k = 0.0000 0.0000 0.8610 ( 5848 PWs) bands (ev): -7.3893 -7.3893 -6.6633 -6.6633 -6.5530 -6.5530 -6.5166 -6.5166 -1.9041 -1.9041 -1.4093 -1.4093 -1.3304 -1.3304 -1.1894 -1.1894 -0.9846 -0.9846 0.1198 0.1198 0.1804 0.1804 0.3144 0.3144 0.3913 0.3913 0.4508 0.4508 0.5686 0.5686 0.8675 0.8675 1.1147 1.1147 2.6192 2.6192 3.0728 3.0728 3.2501 3.2501 4.2717 4.2717 4.7605 4.7605 5.1141 5.1141 5.4014 5.4014 5.6472 5.6472 5.8656 5.8656 7.3603 7.3603 7.9214 7.9214 8.5470 8.5470 10.7295 10.7295 10.7717 10.7717 k = 0.0000 0.0000 0.8610 ( 5848 PWs) bands (ev): -7.3893 -7.3893 -6.6633 -6.6633 -6.5530 -6.5530 -6.5166 -6.5166 -1.9041 -1.9041 -1.4093 -1.4093 -1.3304 -1.3304 -1.1894 -1.1894 -0.9846 -0.9846 0.1198 0.1198 0.1804 0.1804 0.3144 0.3144 0.3913 0.3913 0.4508 0.4508 0.5686 0.5686 0.8675 0.8675 1.1147 1.1147 2.6192 2.6192 3.0728 3.0728 3.2501 3.2501 4.2717 4.2717 4.7605 4.7605 5.1141 5.1141 5.4014 5.4014 5.6472 5.6472 5.8656 5.8656 7.3603 7.3603 7.9214 7.9214 8.5470 8.5470 10.7295 10.7295 10.7717 10.7717 k =-0.0127 0.0178 0.8610 ( 5848 PWs) bands (ev): -7.3896 -7.3893 -6.6637 -6.6634 -6.5533 -6.5523 -6.5168 -6.5163 -1.9080 -1.9016 -1.4102 -1.4084 -1.3350 -1.3253 -1.1920 -1.1876 -0.9917 -0.9756 0.1140 0.1254 0.1747 0.1871 0.3032 0.3253 0.3824 0.4009 0.4461 0.4572 0.5653 0.5726 0.8533 0.8840 1.1070 1.1237 2.6187 2.6206 3.0711 3.0748 3.2447 3.2559 4.2610 4.2748 4.7450 4.7733 5.1042 5.1222 5.3864 5.4025 5.6300 5.6666 5.8554 5.8751 7.3595 7.3650 7.9240 7.9263 8.5479 8.5546 10.7229 10.7310 10.7675 10.7710 k =-0.0254 0.0357 0.8610 ( 5854 PWs) bands (ev): -7.3901 -7.3894 -6.6647 -6.6642 -6.5532 -6.5511 -6.5170 -6.5160 -1.9132 -1.9003 -1.4110 -1.4075 -1.3390 -1.3198 -1.1951 -1.1867 -0.9969 -0.9649 0.1085 0.1301 0.1706 0.1940 0.2925 0.3356 0.3744 0.4106 0.4439 0.4649 0.5629 0.5771 0.8417 0.9025 1.1006 1.1341 2.6192 2.6230 3.0700 3.0772 3.2397 3.2620 4.2434 4.2701 4.7274 4.7827 5.0930 5.1283 5.3597 5.3887 5.6168 5.6855 5.8447 5.8835 7.3627 7.3736 7.9338 7.9384 8.5570 8.5708 10.7099 10.7223 10.7599 10.7700 k =-0.0382 0.0535 0.8610 ( 5850 PWs) bands (ev): -7.3909 -7.3898 -6.6664 -6.6656 -6.5525 -6.5495 -6.5172 -6.5157 -1.9194 -1.9005 -1.4116 -1.4065 -1.3423 -1.3142 -1.1986 -1.1869 -1.0003 -0.9527 0.1035 0.1334 0.1689 0.2003 0.2827 0.3451 0.3672 0.4181 0.4466 0.4740 0.5617 0.5818 0.8328 0.9230 1.0955 1.1457 2.6206 2.6263 3.0692 3.0800 3.2352 3.2683 4.2193 4.2577 4.7087 4.7883 5.0807 5.1322 5.3238 5.3614 5.6073 5.7016 5.8336 5.8905 7.3703 7.3861 7.9507 7.9572 8.5735 8.5949 10.6863 10.6986 10.7533 10.7740 k =-0.0509 0.0713 0.8610 ( 5858 PWs) bands (ev): -7.3919 -7.3905 -6.6687 -6.6677 -6.5513 -6.5474 -6.5172 -6.5153 -1.9267 -1.9018 -1.4122 -1.4054 -1.3450 -1.3086 -1.2020 -1.1880 -1.0020 -0.9392 0.0992 0.1346 0.1698 0.2051 0.2748 0.3533 0.3612 0.4209 0.4561 0.4846 0.5619 0.5862 0.8271 0.9452 1.0919 1.1587 2.6229 2.6305 3.0689 3.0832 3.2310 3.2747 4.1895 4.2377 4.6893 4.7896 5.0676 5.1338 5.2805 5.3237 5.5996 5.7135 5.8220 5.8954 7.3825 7.4027 7.9742 7.9822 8.5960 8.6259 10.6506 10.6624 10.7490 10.7812 k =-0.0636 0.0892 0.8610 ( 5858 PWs) bands (ev): -7.3931 -7.3914 -6.6717 -6.6706 -6.5496 -6.5449 -6.5170 -6.5147 -1.9348 -1.9044 -1.4127 -1.4044 -1.3470 -1.3034 -1.2052 -1.1901 -1.0022 -0.9246 0.0958 0.1341 0.1727 0.2074 0.2695 0.3535 0.3635 0.4209 0.4695 0.4970 0.5638 0.5902 0.8248 0.9690 1.0898 1.1730 2.6260 2.6356 3.0690 3.0867 3.2272 3.2809 4.1549 4.2109 4.6698 4.7865 5.0538 5.1330 5.2317 5.2791 5.5917 5.7204 5.8099 5.8979 7.3995 7.4235 8.0035 8.0125 8.6232 8.6625 10.6039 10.6176 10.7451 10.7888 k =-0.0763 0.1070 0.8610 ( 5852 PWs) bands (ev): -7.3947 -7.3927 -6.6754 -6.6744 -6.5471 -6.5418 -6.5165 -6.5138 -1.9436 -1.9080 -1.4131 -1.4033 -1.3485 -1.2990 -1.2079 -1.1929 -1.0011 -0.9094 0.0934 0.1329 0.1764 0.2067 0.2672 0.3490 0.3711 0.4201 0.4832 0.5119 0.5681 0.5936 0.8261 0.9941 1.0894 1.1887 2.6297 2.6414 3.0695 3.0904 3.2238 3.2868 4.1165 4.1783 4.6503 4.7791 5.0393 5.1298 5.1796 5.2301 5.5823 5.7219 5.7973 5.8975 7.4215 7.4487 8.0378 8.0473 8.6533 8.7027 10.5485 10.5666 10.7397 10.7946 k =-0.0891 0.1248 0.8610 ( 5846 PWs) bands (ev): -7.3966 -7.3944 -6.6800 -6.6790 -6.5440 -6.5381 -6.5156 -6.5125 -1.9528 -1.9125 -1.4134 -1.4022 -1.3495 -1.2954 -1.2099 -1.1962 -0.9991 -0.8938 0.0922 0.1313 0.1795 0.2040 0.2671 0.3454 0.3788 0.4191 0.4947 0.5294 0.5753 0.5967 0.8313 1.0205 1.0910 1.2056 2.6339 2.6479 3.0703 3.0943 3.2206 3.2921 4.0753 4.1410 4.6310 4.7674 5.0232 5.1190 5.1316 5.1789 5.5709 5.7182 5.7840 5.8940 7.4485 7.4783 8.0763 8.0857 8.6844 8.7447 10.4867 10.5108 10.7309 10.7963 k =-0.1018 0.1427 0.8610 ( 5844 PWs) bands (ev): -7.3989 -7.3964 -6.6854 -6.6844 -6.5403 -6.5340 -6.5142 -6.5107 -1.9624 -1.9178 -1.4135 -1.4012 -1.3501 -1.2930 -1.2113 -1.1999 -0.9964 -0.8782 0.0921 0.1299 0.1801 0.2016 0.2680 0.3433 0.3864 0.4181 0.5030 0.5480 0.5858 0.6005 0.8406 1.0476 1.0951 1.2239 2.6386 2.6549 3.0714 3.0984 3.2175 3.2963 4.0328 4.1007 4.6117 4.7513 5.0032 5.0722 5.1191 5.1282 5.5571 5.7095 5.7698 5.8873 7.4803 7.5121 8.1179 8.1269 8.7147 8.7863 10.4204 10.4516 10.7170 10.7913 k =-0.1145 0.1605 0.8610 ( 5838 PWs) bands (ev): -7.4015 -7.3988 -6.6917 -6.6907 -6.5360 -6.5293 -6.5120 -6.5084 -1.9721 -1.9237 -1.4136 -1.4001 -1.3504 -1.2917 -1.2121 -1.2034 -0.9932 -0.8630 0.0931 0.1285 0.1771 0.2015 0.2689 0.3428 0.3939 0.4172 0.5083 0.5644 0.5991 0.6077 0.8541 1.0744 1.1029 1.2432 2.6433 2.6624 3.0728 3.1024 3.2144 3.2990 3.9902 4.0588 4.5924 4.7307 4.9735 5.0291 5.0777 5.1121 5.5411 5.6967 5.7543 5.8776 7.5166 7.5499 8.1619 8.1697 8.7424 8.8253 10.3512 10.3899 10.6964 10.7771 k =-0.1272 0.1783 0.8610 ( 5826 PWs) bands (ev): -7.4046 -7.4017 -6.6989 -6.6978 -6.5310 -6.5243 -6.5090 -6.5053 -1.9818 -1.9301 -1.4135 -1.3990 -1.3505 -1.2915 -1.2133 -1.2059 -0.9899 -0.8485 0.0950 0.1273 0.1717 0.2032 0.2693 0.3439 0.4013 0.4164 0.5110 0.5742 0.6137 0.6226 0.8721 1.0972 1.1184 1.2635 2.6479 2.6702 3.0745 3.1064 3.2111 3.2996 3.9490 4.0170 4.5727 4.7053 4.9315 4.9940 5.0365 5.1025 5.5230 5.6804 5.7372 5.8649 7.5570 7.5914 8.2072 8.2133 8.7660 8.8597 10.2807 10.3270 10.6678 10.7513 k =-0.1272 0.1783 0.8610 ( 5826 PWs) bands (ev): -7.4046 -7.4017 -6.6989 -6.6978 -6.5310 -6.5243 -6.5090 -6.5053 -1.9818 -1.9301 -1.4135 -1.3990 -1.3505 -1.2915 -1.2133 -1.2059 -0.9899 -0.8485 0.0950 0.1273 0.1717 0.2032 0.2693 0.3439 0.4013 0.4164 0.5110 0.5742 0.6137 0.6226 0.8721 1.0972 1.1184 1.2635 2.6479 2.6702 3.0745 3.1064 3.2111 3.2996 3.9490 4.0170 4.5727 4.7053 4.9315 4.9940 5.0365 5.1025 5.5230 5.6804 5.7372 5.8649 7.5570 7.5914 8.2072 8.2133 8.7660 8.8597 10.2807 10.3270 10.6678 10.7513 k =-0.1361 0.1908 0.8457 ( 5840 PWs) bands (ev): -7.4073 -7.4046 -6.7027 -6.7016 -6.5336 -6.5265 -6.5018 -6.4973 -1.9885 -1.9355 -1.4143 -1.3974 -1.3479 -1.2944 -1.2180 -1.2048 -0.9874 -0.8354 0.0980 0.1264 0.1743 0.2008 0.2680 0.3423 0.4051 0.4167 0.5108 0.5786 0.6273 0.6411 0.8892 1.1093 1.1267 1.2691 2.6552 2.6778 3.0986 3.1296 3.1884 3.2776 3.9218 3.9895 4.5474 4.6750 4.9094 4.9581 5.0380 5.1027 5.5022 5.6509 5.7267 5.8639 7.5891 7.6228 8.2352 8.2393 8.7822 8.8816 10.2278 10.2711 10.6537 10.7377 k =-0.1450 0.2032 0.8304 ( 5840 PWs) bands (ev): -7.4107 -7.4082 -6.7068 -6.7056 -6.5362 -6.5290 -6.4932 -6.4882 -1.9953 -1.9413 -1.4151 -1.3958 -1.3445 -1.2983 -1.2226 -1.2030 -0.9847 -0.8236 0.1001 0.1254 0.1766 0.2008 0.2657 0.3418 0.4069 0.4187 0.5105 0.5818 0.6415 0.6619 0.9085 1.1165 1.1433 1.2746 2.6645 2.6877 3.1073 3.1458 3.1808 3.2612 3.8947 3.9617 4.5175 4.6382 4.8892 4.9250 5.0327 5.1004 5.4838 5.6205 5.7113 5.8576 7.6285 7.6620 8.2642 8.2714 8.7970 8.9015 10.1728 10.2122 10.6388 10.7210 k =-0.1538 0.2157 0.8151 ( 5836 PWs) bands (ev): -7.4147 -7.4124 -6.7113 -6.7098 -6.5389 -6.5315 -6.4836 -6.4781 -2.0021 -1.9475 -1.4158 -1.3944 -1.3404 -1.3030 -1.2270 -1.2008 -0.9819 -0.8132 0.1012 0.1247 0.1781 0.2032 0.2632 0.3421 0.4074 0.4218 0.5101 0.5844 0.6552 0.6841 0.9304 1.1249 1.1629 1.2806 2.6752 2.6996 3.0953 3.1533 3.1907 3.2533 3.8684 3.9342 4.4842 4.5969 4.8696 4.8958 5.0203 5.0940 5.4690 5.5904 5.6915 5.8464 7.6744 7.7082 8.2944 8.3071 8.8110 8.9200 10.1155 10.1505 10.6235 10.7021 k =-0.1627 0.2281 0.7998 ( 5830 PWs) bands (ev): -7.4192 -7.4171 -6.7159 -6.7142 -6.5415 -6.5341 -6.4732 -6.4672 -2.0088 -1.9540 -1.4164 -1.3931 -1.3356 -1.3083 -1.2311 -1.1984 -0.9791 -0.8044 0.1010 0.1244 0.1785 0.2078 0.2610 0.3428 0.4074 0.4254 0.5099 0.5867 0.6669 0.7067 0.9556 1.1369 1.1836 1.2873 2.6867 2.7129 3.0748 3.1489 3.2073 3.2544 3.8434 3.9073 4.4488 4.5536 4.8477 4.8719 5.0016 5.0833 5.4581 5.5616 5.6679 5.8308 7.7259 7.7603 8.3253 8.3442 8.8251 8.9380 10.0562 10.0865 10.6083 10.6822 k =-0.1716 0.2405 0.7846 ( 5828 PWs) bands (ev): -7.4241 -7.4222 -6.7206 -6.7187 -6.5440 -6.5366 -6.4621 -6.4556 -2.0154 -1.9607 -1.4169 -1.3920 -1.3301 -1.3139 -1.2351 -1.1959 -0.9762 -0.7971 0.0996 0.1250 0.1777 0.2140 0.2596 0.3435 0.4072 0.4293 0.5100 0.5887 0.6760 0.7288 0.9843 1.1538 1.2048 1.2949 2.6986 2.7271 3.0528 3.1358 3.2237 3.2598 3.8200 3.8812 4.4132 4.5104 4.8228 4.8520 4.9778 5.0680 5.4510 5.5350 5.6415 5.8115 7.7820 7.8174 8.3553 8.3807 8.8406 8.9567 9.9951 10.0211 10.5935 10.6625 k =-0.1805 0.2530 0.7693 ( 5826 PWs) bands (ev): -7.4293 -7.4275 -6.7255 -6.7233 -6.5465 -6.5391 -6.4505 -6.4437 -2.0219 -1.9675 -1.4174 -1.3910 -1.3241 -1.3197 -1.2388 -1.1934 -0.9733 -0.7914 0.0973 0.1262 0.1758 0.2213 0.2591 0.3440 0.4068 0.4336 0.5103 0.5906 0.6822 0.7493 1.0168 1.1763 1.2260 1.3038 2.7101 2.7416 3.0313 3.1185 3.2372 3.2648 3.7986 3.8559 4.3791 4.4692 4.7966 4.8329 4.9505 5.0485 5.4469 5.5111 5.6132 5.7893 7.8415 7.8783 8.3830 8.4146 8.8590 8.9772 9.9327 9.9551 10.5796 10.6437 k =-0.1893 0.2654 0.7540 ( 5824 PWs) bands (ev): -7.4345 -7.4329 -6.7304 -6.7280 -6.5489 -6.5416 -6.4387 -6.4316 -2.0281 -1.9744 -1.4178 -1.3901 -1.3261 -1.3172 -1.2424 -1.1909 -0.9705 -0.7874 0.0946 0.1277 0.1731 0.2292 0.2599 0.3442 0.4064 0.4384 0.5109 0.5923 0.6855 0.7671 1.0533 1.2044 1.2473 1.3141 2.7207 2.7555 3.0108 3.0990 3.2468 3.2673 3.7790 3.8315 4.3479 4.4314 4.7702 4.8125 4.9212 5.0252 5.4450 5.4904 5.5843 5.7652 7.9036 7.9419 8.4071 8.4436 8.8820 9.0008 9.8696 9.8898 10.5667 10.6265 k =-0.1982 0.2779 0.7387 ( 5830 PWs) bands (ev): -7.4399 -7.4384 -6.7352 -6.7326 -6.5512 -6.5439 -6.4269 -6.4195 -2.0339 -1.9812 -1.4182 -1.3893 -1.3321 -1.3102 -1.2458 -1.1885 -0.9676 -0.7849 0.0916 0.1290 0.1700 0.2373 0.2618 0.3441 0.4058 0.4436 0.5118 0.5940 0.6864 0.7816 1.0935 1.2378 1.2686 1.3262 2.7295 2.7680 2.9915 3.0778 3.2524 3.2667 3.7611 3.8079 4.3208 4.3983 4.7438 4.7902 4.8910 4.9984 5.4443 5.4730 5.5560 5.7401 7.9669 8.0071 8.4266 8.4658 8.9112 9.0284 9.8068 9.8259 10.5548 10.6112 k =-0.2071 0.2903 0.7234 ( 5824 PWs) bands (ev): -7.4452 -7.4438 -6.7400 -6.7372 -6.5533 -6.5461 -6.4152 -6.4075 -2.0395 -1.9879 -1.4185 -1.3886 -1.3380 -1.3029 -1.2491 -1.1862 -0.9648 -0.7840 0.0886 0.1296 0.1673 0.2452 0.2649 0.3436 0.4052 0.4490 0.5131 0.5957 0.6855 0.7926 1.1368 1.2740 1.2915 1.3406 2.7356 2.7782 2.9738 3.0550 3.2541 3.2633 3.7446 3.7853 4.2985 4.3706 4.7178 4.7661 4.8606 4.9688 5.4425 5.4600 5.5297 5.7151 8.0305 8.0727 8.4411 8.4801 8.9473 9.0603 9.7454 9.7645 10.5440 10.5977 k =-0.2160 0.3028 0.7081 ( 5818 PWs) bands (ev): -7.4504 -7.4491 -6.7446 -6.7417 -6.5553 -6.5482 -6.4038 -6.3958 -2.0447 -1.9943 -1.4187 -1.3880 -1.3437 -1.2956 -1.2521 -1.1840 -0.9620 -0.7846 0.0857 0.1289 0.1657 0.2522 0.2691 0.3429 0.4047 0.4544 0.5148 0.5973 0.6834 0.8000 1.1822 1.3023 1.3248 1.3587 2.7381 2.7850 2.9580 3.0304 3.2526 3.2580 3.7294 3.7643 4.2809 4.3485 4.6925 4.7406 4.8302 4.9368 5.4351 5.4537 5.5074 5.6912 8.0931 8.1375 8.4507 8.4863 8.9901 9.0964 9.6868 9.7060 10.5341 10.5861 k =-0.2248 0.3152 0.6929 ( 5827 PWs) bands (ev): -7.4554 -7.4541 -6.7491 -6.7460 -6.5571 -6.5501 -6.3928 -6.3847 -2.0495 -2.0004 -1.4189 -1.3874 -1.3492 -1.2883 -1.2548 -1.1819 -0.9592 -0.7866 0.0830 0.1266 0.1655 0.2579 0.2744 0.3419 0.4045 0.4594 0.5169 0.5989 0.6807 0.8043 1.2278 1.3224 1.3626 1.3868 2.7360 2.7874 2.9440 3.0043 3.2485 3.2515 3.7153 3.7460 4.2675 4.3315 4.6683 4.7147 4.8000 4.9033 5.4220 5.4514 5.4914 5.6696 8.1534 8.2002 8.4567 8.4855 9.0383 9.1358 9.6321 9.6512 10.5249 10.5761 k =-0.2337 0.3276 0.6776 ( 5824 PWs) bands (ev): -7.4601 -7.4588 -6.7533 -6.7501 -6.5588 -6.5518 -6.3825 -6.3741 -2.0540 -2.0060 -1.4191 -1.3869 -1.3544 -1.2814 -1.2571 -1.1798 -0.9564 -0.7898 0.0805 0.1229 0.1669 0.2624 0.2804 0.3409 0.4048 0.4638 0.5194 0.6004 0.6780 0.8058 1.2708 1.3403 1.3934 1.4314 2.7282 2.7846 2.9315 2.9773 3.2420 3.2459 3.7026 3.7319 4.2572 4.3182 4.6459 4.6893 4.7704 4.8689 5.4056 5.4489 5.4828 5.6515 8.2097 8.2588 8.4609 8.4798 9.0902 9.1771 9.5824 9.6006 10.5161 10.5675 k =-0.2426 0.3401 0.6623 ( 5828 PWs) bands (ev): -7.4645 -7.4631 -6.7573 -6.7539 -6.5602 -6.5534 -6.3728 -6.3643 -2.0580 -2.0112 -1.4192 -1.3864 -1.3593 -1.2756 -1.2584 -1.1776 -0.9536 -0.7942 0.0783 0.1182 0.1694 0.2660 0.2864 0.3398 0.4057 0.4675 0.5221 0.6017 0.6757 0.8049 1.3078 1.3568 1.4273 1.4829 2.7147 2.7760 2.9180 2.9513 3.2340 3.2422 3.6918 3.7228 4.2486 4.3071 4.6261 4.6650 4.7420 4.8344 5.3873 5.4446 5.4807 5.6379 8.2596 8.3108 8.4659 8.4727 9.1436 9.2186 9.5388 9.5548 10.5076 10.5601 k =-0.2515 0.3525 0.6470 ( 5827 PWs) bands (ev): -7.4685 -7.4670 -6.7610 -6.7575 -6.5615 -6.5547 -6.3640 -6.3553 -2.0617 -2.0159 -1.4193 -1.3859 -1.3638 -1.2720 -1.2578 -1.1753 -0.9509 -0.7995 0.0762 0.1132 0.1726 0.2688 0.2918 0.3388 0.4074 0.4705 0.5250 0.6026 0.6742 0.8022 1.3366 1.3724 1.4687 1.5364 2.6959 2.7612 2.8988 2.9308 3.2265 3.2407 3.6841 3.7189 4.2402 4.2960 4.6088 4.6427 4.7162 4.8006 5.3687 5.4380 5.4835 5.6292 8.2994 8.3515 8.4642 8.4811 9.1962 9.2578 9.5023 9.5146 10.4993 10.5537 k =-0.2604 0.3650 0.6317 ( 5829 PWs) bands (ev): -7.4722 -7.4704 -6.7644 -6.7608 -6.5625 -6.5559 -6.3561 -6.3473 -2.0650 -2.0199 -1.4193 -1.3855 -1.3679 -1.2713 -1.2547 -1.1726 -0.9483 -0.8056 0.0743 0.1081 0.1760 0.2709 0.2963 0.3380 0.4099 0.4728 0.5277 0.6030 0.6738 0.7978 1.3582 1.3871 1.5159 1.5897 2.6731 2.7404 2.8732 2.9160 3.2205 3.2417 3.6804 3.7198 4.2307 4.2832 4.5927 4.6247 4.6945 4.7684 5.3509 5.4287 5.4900 5.6250 8.3247 8.3750 8.4676 8.5048 9.2457 9.2919 9.4740 9.4806 10.4913 10.5482 k =-0.2692 0.3774 0.6164 ( 5825 PWs) bands (ev): -7.4753 -7.4733 -6.7674 -6.7637 -6.5633 -6.5568 -6.3492 -6.3404 -2.0678 -2.0232 -1.4193 -1.3851 -1.3717 -1.2722 -1.2507 -1.1695 -0.9459 -0.8123 0.0724 0.1034 0.1796 0.2723 0.2998 0.3375 0.4132 0.4746 0.5303 0.6027 0.6746 0.7923 1.3748 1.4011 1.5654 1.6414 2.6482 2.7147 2.8457 2.9021 3.2172 3.2450 3.6814 3.7251 4.2191 4.2673 4.5746 4.6139 4.6784 4.7386 5.3346 5.4175 5.4993 5.6246 8.3351 8.3798 8.4853 8.5373 9.2895 9.3174 9.4500 9.4593 10.4841 10.5436 k =-0.2781 0.3899 0.6012 ( 5830 PWs) bands (ev): -7.4779 -7.4757 -6.7701 -6.7663 -6.5638 -6.5574 -6.3435 -6.3345 -2.0703 -2.0258 -1.4193 -1.3849 -1.3750 -1.2735 -1.2469 -1.1658 -0.9439 -0.8193 0.0704 0.0993 0.1830 0.2732 0.3023 0.3372 0.4173 0.4760 0.5325 0.6017 0.6762 0.7857 1.3879 1.4145 1.6138 1.6895 2.6231 2.6862 2.8189 2.8869 3.2167 3.2500 3.6872 3.7343 4.2051 4.2479 4.5539 4.6102 4.6690 4.7123 5.3200 5.4053 5.5104 5.6267 8.3357 8.3746 8.5113 8.5722 9.3246 9.3318 9.4284 9.4537 10.4785 10.5397 k =-0.2870 0.4023 0.5859 ( 5825 PWs) bands (ev): -7.4800 -7.4775 -6.7723 -6.7686 -6.5640 -6.5578 -6.3389 -6.3299 -2.0723 -2.0277 -1.4192 -1.3848 -1.3778 -1.2750 -1.2439 -1.1616 -0.9424 -0.8262 0.0683 0.0959 0.1861 0.2734 0.3038 0.3372 0.4219 0.4773 0.5344 0.6001 0.6782 0.7786 1.3986 1.4271 1.6582 1.7318 2.6002 2.6578 2.7937 2.8700 3.2187 3.2559 3.6979 3.7470 4.1886 4.2258 4.5322 4.6092 4.6669 4.6913 5.3076 5.3932 5.5224 5.6303 8.3314 8.3671 8.5378 8.6052 9.3349 9.3501 9.4131 9.4576 10.4751 10.5365 k =-0.2959 0.4147 0.5706 ( 5829 PWs) bands (ev): -7.4814 -7.4788 -6.7742 -6.7704 -6.5641 -6.5580 -6.3356 -6.3264 -2.0739 -2.0289 -1.4191 -1.3850 -1.3799 -1.2762 -1.2419 -1.1567 -0.9417 -0.8327 0.0661 0.0934 0.1887 0.2732 0.3045 0.3376 0.4270 0.4785 0.5360 0.5981 0.6800 0.7713 1.4073 1.4387 1.6956 1.7659 2.5821 2.6330 2.7707 2.8520 3.2223 3.2616 3.7132 3.7626 4.1698 4.2029 4.5109 4.6056 4.6717 4.6789 5.2975 5.3819 5.5346 5.6345 8.3253 8.3610 8.5612 8.6339 9.3336 9.3613 9.4050 9.4644 10.4742 10.5338 k =-0.3047 0.4272 0.5553 ( 5825 PWs) bands (ev): -7.4824 -7.4794 -6.7756 -6.7718 -6.5638 -6.5579 -6.3335 -6.3243 -2.0751 -2.0293 -1.4189 -1.3859 -1.3810 -1.2773 -1.2409 -1.1514 -0.9420 -0.8384 0.0637 0.0917 0.1904 0.2728 0.3044 0.3385 0.4322 0.4799 0.5372 0.5957 0.6809 0.7641 1.4143 1.4490 1.7232 1.7892 2.5714 2.6153 2.7505 2.8337 3.2261 3.2662 3.7329 3.7802 4.1486 4.1823 4.4906 4.5954 4.6775 4.6828 5.2899 5.3722 5.5463 5.6389 8.3196 8.3573 8.5802 8.6572 9.3295 9.3587 9.4037 9.4706 10.4752 10.5313 k =-0.3136 0.4396 0.5400 ( 5829 PWs) bands (ev): -7.4827 -7.4795 -6.7766 -6.7728 -6.5633 -6.5575 -6.3328 -6.3234 -2.0758 -2.0289 -1.4186 -1.3873 -1.3813 -1.2781 -1.2407 -1.1459 -0.9437 -0.8430 0.0614 0.0908 0.1912 0.2725 0.3036 0.3396 0.4373 0.4815 0.5380 0.5931 0.6802 0.7575 1.4198 1.4578 1.7385 1.7998 2.5692 2.6074 2.7343 2.8166 3.2291 3.2687 3.7564 3.7991 4.1257 4.1670 4.4717 4.5802 4.6850 4.6982 5.2850 5.3645 5.5568 5.6430 8.3150 8.3564 8.5942 8.6746 9.3220 9.3441 9.4077 9.4760 10.4762 10.5282 k =-0.3136 0.4396 0.5400 ( 5829 PWs) bands (ev): -7.4827 -7.4795 -6.7766 -6.7728 -6.5633 -6.5575 -6.3328 -6.3234 -2.0758 -2.0289 -1.4186 -1.3873 -1.3813 -1.2781 -1.2407 -1.1459 -0.9437 -0.8430 0.0614 0.0908 0.1912 0.2725 0.3036 0.3396 0.4373 0.4815 0.5380 0.5931 0.6802 0.7575 1.4198 1.4578 1.7385 1.7998 2.5692 2.6074 2.7343 2.8166 3.2291 3.2687 3.7564 3.7991 4.1257 4.1670 4.4717 4.5802 4.6850 4.6982 5.2850 5.3645 5.5568 5.6430 8.3150 8.3564 8.5942 8.6746 9.3220 9.3441 9.4077 9.4760 10.4762 10.5282 k =-0.3046 0.4271 0.5246 ( 5829 PWs) bands (ev): -7.4835 -7.4803 -6.7635 -6.7597 -6.5724 -6.5666 -6.3354 -6.3259 -2.0742 -2.0293 -1.4205 -1.3887 -1.3795 -1.2802 -1.2364 -1.1449 -0.9368 -0.8460 0.0637 0.0909 0.1869 0.2698 0.3050 0.3359 0.4383 0.4933 0.5434 0.5945 0.6850 0.7617 1.4136 1.4547 1.7213 1.7813 2.5801 2.6139 2.7158 2.8072 3.2284 3.2700 3.7027 3.7446 4.1241 4.1704 4.4746 4.5859 4.6897 4.7061 5.2954 5.3736 5.5588 5.6407 8.3237 8.3715 8.6307 8.7080 9.3672 9.3936 9.4311 9.5134 10.5554 10.6127 k =-0.2957 0.4145 0.5092 ( 5825 PWs) bands (ev): -7.4860 -7.4828 -6.7502 -6.7464 -6.5793 -6.5735 -6.3380 -6.3284 -2.0727 -2.0299 -1.4227 -1.3895 -1.3777 -1.2820 -1.2325 -1.1440 -0.9314 -0.8506 0.0649 0.0920 0.1834 0.2643 0.3051 0.3348 0.4399 0.5044 0.5491 0.5960 0.6896 0.7649 1.4084 1.4526 1.7054 1.7634 2.5885 2.6142 2.7031 2.8014 3.2280 3.2715 3.6521 3.6931 4.1203 4.1713 4.4802 4.5940 4.7005 4.7232 5.3029 5.3794 5.5573 5.6345 8.3314 8.3849 8.6670 8.7404 9.4102 9.4362 9.4584 9.5470 10.6194 10.6851 k =-0.2867 0.4019 0.4937 ( 5827 PWs) bands (ev): -7.4903 -7.4872 -6.7368 -6.7330 -6.5837 -6.5780 -6.3406 -6.3310 -2.0712 -2.0306 -1.4251 -1.3896 -1.3759 -1.2837 -1.2290 -1.1433 -0.9275 -0.8566 0.0647 0.0937 0.1810 0.2565 0.3039 0.3358 0.4423 0.5141 0.5553 0.5975 0.6940 0.7672 1.4044 1.4513 1.6906 1.7459 2.5933 2.6075 2.6978 2.7994 3.2268 3.2725 3.6063 3.6461 4.1144 4.1694 4.4892 4.6054 4.7171 4.7476 5.3072 5.3817 5.5525 5.6247 8.3384 8.3967 8.7020 8.7714 9.4499 9.4709 9.4922 9.5751 10.6648 10.7344 k =-0.2778 0.3894 0.4783 ( 5833 PWs) bands (ev): -7.4965 -7.4935 -6.7232 -6.7195 -6.5857 -6.5800 -6.3432 -6.3336 -2.0698 -2.0315 -1.4278 -1.3892 -1.3742 -1.2851 -1.2260 -1.1427 -0.9258 -0.8633 0.0632 0.0959 0.1801 0.2471 0.3016 0.3380 0.4456 0.5221 0.5622 0.5990 0.6978 0.7688 1.4017 1.4510 1.6770 1.7289 2.5892 2.6005 2.6987 2.8008 3.2235 3.2718 3.5671 3.6049 4.1072 4.1654 4.5017 4.6202 4.7389 4.7777 5.3081 5.3803 5.5447 5.6119 8.3454 8.4072 8.7348 8.8001 9.4794 9.5075 9.5292 9.5967 10.6907 10.7566 k =-0.2688 0.3768 0.4629 ( 5839 PWs) bands (ev): -7.5046 -7.5016 -6.7094 -6.7058 -6.5853 -6.5797 -6.3457 -6.3361 -2.0687 -2.0325 -1.4306 -1.3882 -1.3725 -1.2864 -1.2238 -1.1420 -0.9268 -0.8698 0.0606 0.0984 0.1807 0.2368 0.2983 0.3407 0.4497 0.5282 0.5696 0.6007 0.7010 0.7699 1.4003 1.4516 1.6645 1.7124 2.5739 2.5990 2.7033 2.8051 3.2159 3.2677 3.5363 3.5713 4.1002 4.1609 4.5171 4.6377 4.7653 4.8124 5.3053 5.3750 5.5345 5.5968 8.3526 8.4166 8.7645 8.8257 9.4976 9.5495 9.5664 9.6119 10.6995 10.7588 k =-0.2598 0.3643 0.4474 ( 5843 PWs) bands (ev): -7.5145 -7.5117 -6.6954 -6.6918 -6.5826 -6.5771 -6.3481 -6.3386 -2.0679 -2.0335 -1.4335 -1.3869 -1.3709 -1.2874 -1.2223 -1.1413 -0.9311 -0.8753 0.0571 0.1009 0.1827 0.2261 0.2939 0.3440 0.4545 0.5327 0.5770 0.6024 0.7033 0.7708 1.4001 1.4529 1.6529 1.6965 2.5561 2.5966 2.7098 2.8116 3.2025 3.2585 3.5148 3.5467 4.0954 4.1576 4.5342 4.6564 4.7957 4.8508 5.2986 5.3657 5.5226 5.5803 8.3604 8.4252 8.7904 8.8473 9.5075 9.5881 9.6038 9.6259 10.6955 10.7485 k =-0.2509 0.3517 0.4320 ( 5839 PWs) bands (ev): -7.5262 -7.5234 -6.6810 -6.6775 -6.5779 -6.5725 -6.3504 -6.3411 -2.0675 -2.0345 -1.4364 -1.3854 -1.3695 -1.2882 -1.2216 -1.1405 -0.9390 -0.8795 0.0530 0.1033 0.1857 0.2158 0.2885 0.3477 0.4598 0.5357 0.5840 0.6042 0.7046 0.7717 1.4012 1.4549 1.6422 1.6815 2.5383 2.5931 2.7170 2.8198 3.1831 3.2436 3.5021 3.5312 4.0947 4.1578 4.5515 4.6746 4.8296 4.8922 5.2880 5.3524 5.5099 5.5638 8.3688 8.4332 8.8116 8.8642 9.5097 9.6003 9.6477 9.6547 10.6825 10.7303 k =-0.2419 0.3391 0.4166 ( 5837 PWs) bands (ev): -7.5394 -7.5368 -6.6661 -6.6628 -6.5715 -6.5661 -6.3526 -6.3435 -2.0678 -2.0355 -1.4392 -1.3836 -1.3682 -1.2887 -1.2219 -1.1396 -0.9498 -0.8826 0.0484 0.1058 0.1885 0.2070 0.2822 0.3518 0.4652 0.5377 0.5902 0.6062 0.7045 0.7727 1.4035 1.4574 1.6318 1.6680 2.5211 2.5886 2.7247 2.8289 3.1589 3.2239 3.4959 3.5231 4.1003 4.1633 4.5675 4.6903 4.8664 4.9358 5.2736 5.3353 5.4974 5.5486 8.3779 8.4405 8.8276 8.8756 9.5043 9.5930 9.6933 9.6960 10.6635 10.7060 k =-0.2330 0.3266 0.4012 ( 5837 PWs) bands (ev): -7.5540 -7.5515 -6.6508 -6.6476 -6.5636 -6.5584 -6.3546 -6.3458 -2.0687 -2.0363 -1.4419 -1.3818 -1.3672 -1.2891 -1.2230 -1.1385 -0.9626 -0.8852 0.0436 0.1082 0.1879 0.2031 0.2750 0.3564 0.4707 0.5389 0.5952 0.6084 0.7032 0.7738 1.4069 1.4603 1.6214 1.6564 2.5052 2.5836 2.7322 2.8385 3.1322 3.2015 3.4937 3.5198 4.1136 4.1758 4.5807 4.7019 4.9054 4.9808 5.2558 5.3150 5.4863 5.5364 8.3872 8.4470 8.8379 8.8810 9.4916 9.5765 9.7357 9.7447 10.6397 10.6757 k =-0.2240 0.3140 0.3857 ( 5843 PWs) bands (ev): -7.5699 -7.5676 -6.6348 -6.6317 -6.5545 -6.5496 -6.3564 -6.3479 -2.0703 -2.0371 -1.4445 -1.3799 -1.3665 -1.2891 -1.2250 -1.1372 -0.9768 -0.8878 0.0388 0.1104 0.1820 0.2058 0.2672 0.3615 0.4759 0.5394 0.5989 0.6109 0.7006 0.7748 1.4112 1.4634 1.6107 1.6474 2.4906 2.5782 2.7393 2.8478 3.1054 3.1788 3.4930 3.5184 4.1359 4.1964 4.5895 4.7079 4.9453 5.0256 5.2353 5.2926 5.4778 5.5288 8.3962 8.4520 8.8423 8.8804 9.4720 9.5528 9.7789 9.7935 10.6101 10.6382 k =-0.2150 0.3015 0.3703 ( 5857 PWs) bands (ev): -7.5868 -7.5846 -6.6182 -6.6154 -6.5447 -6.5399 -6.3580 -6.3499 -2.0726 -2.0378 -1.4469 -1.3781 -1.3660 -1.2889 -1.2277 -1.1359 -0.9917 -0.8908 0.0340 0.1124 0.1752 0.2109 0.2592 0.3669 0.4807 0.5392 0.6012 0.6136 0.6969 0.7756 1.4162 1.4665 1.6000 1.6409 2.4777 2.5724 2.7451 2.8558 3.0805 3.1581 3.4925 3.5174 4.1674 4.2256 4.5928 4.7072 4.9838 5.0670 5.2145 5.2708 5.4733 5.5272 8.4036 8.4544 8.8410 8.8745 9.4460 9.5231 9.8224 9.8411 10.5696 10.5925 k =-0.2061 0.2889 0.3549 ( 5857 PWs) bands (ev): -7.6045 -7.6024 -6.6011 -6.5984 -6.5344 -6.5299 -6.3592 -6.3516 -2.0756 -2.0386 -1.4491 -1.3764 -1.3659 -1.2884 -1.2311 -1.1345 -1.0069 -0.8942 0.0293 0.1141 0.1692 0.2163 0.2513 0.3727 0.4849 0.5384 0.6021 0.6166 0.6922 0.7761 1.4219 1.4693 1.5903 1.6364 2.4665 2.5665 2.7491 2.8612 3.0591 3.1413 3.4913 3.5163 4.2078 4.2634 4.5898 4.6992 5.0166 5.0960 5.2006 5.2558 5.4742 5.5322 8.4076 8.4528 8.8348 8.8650 9.4143 9.4880 9.8647 9.8859 10.5088 10.5383 k =-0.1971 0.2763 0.3394 ( 5849 PWs) bands (ev): -7.6228 -7.6208 -6.5834 -6.5810 -6.5239 -6.5195 -6.3601 -6.3530 -2.0791 -2.0396 -1.4511 -1.3751 -1.3661 -1.2876 -1.2348 -1.1332 -1.0220 -0.8982 0.0249 0.1154 0.1644 0.2213 0.2441 0.3787 0.4887 0.5372 0.6017 0.6199 0.6867 0.7760 1.4278 1.4711 1.5830 1.6335 2.4570 2.5603 2.7501 2.8628 3.0427 3.1299 3.4893 3.5156 4.2561 4.3095 4.5801 4.6842 5.0354 5.0957 5.2066 5.2591 5.4813 5.5439 8.4053 8.4450 8.8252 8.8549 9.3773 9.4478 9.9037 9.9249 10.4301 10.4734 k =-0.1882 0.2638 0.3240 ( 5853 PWs) bands (ev): -7.6415 -7.6396 -6.5654 -6.5631 -6.5134 -6.5092 -6.3605 -6.3540 -2.0832 -2.0408 -1.4528 -1.3741 -1.3665 -1.2865 -1.2388 -1.1321 -1.0369 -0.9029 0.0207 0.1164 0.1608 0.2240 0.2396 0.3849 0.4918 0.5354 0.6001 0.6232 0.6804 0.7752 1.4337 1.4714 1.5794 1.6319 2.4493 2.5539 2.7475 2.8599 3.0318 3.1244 3.4867 3.5162 4.3110 4.3631 4.5644 4.6628 5.0327 5.0695 5.2309 5.2867 5.4952 5.5620 8.3931 8.4282 8.8152 8.8475 9.3356 9.4028 9.9350 9.9528 10.3479 10.4022 k =-0.1792 0.2512 0.3086 ( 5859 PWs) bands (ev): -7.6603 -7.6585 -6.5470 -6.5451 -6.5030 -6.4991 -6.3604 -6.3546 -2.0876 -2.0425 -1.4542 -1.3740 -1.3669 -1.2852 -1.2427 -1.1312 -1.0513 -0.9081 0.0168 0.1173 0.1580 0.2221 0.2404 0.3914 0.4944 0.5332 0.5975 0.6265 0.6735 0.7736 1.4392 1.4697 1.5807 1.6315 2.4433 2.5472 2.7411 2.8525 3.0263 3.1243 3.4845 3.5190 4.3702 4.4232 4.5441 4.6360 5.0112 5.0315 5.2673 5.3282 5.5159 5.5859 8.3674 8.3999 8.8092 8.8450 9.2899 9.3528 9.9451 9.9633 10.2808 10.3362 k =-0.1702 0.2387 0.2932 ( 5851 PWs) bands (ev): -7.6792 -7.6775 -6.5286 -6.5271 -6.4929 -6.4894 -6.3596 -6.3546 -2.0924 -2.0446 -1.4553 -1.3748 -1.3669 -1.2838 -1.2462 -1.1306 -1.0650 -0.9140 0.0132 0.1183 0.1556 0.2180 0.2443 0.3979 0.4964 0.5307 0.5940 0.6296 0.6661 0.7711 1.4430 1.4669 1.5872 1.6326 2.4387 2.5402 2.7313 2.8413 3.0252 3.1279 3.4839 3.5248 4.4279 4.4890 4.5249 4.6056 4.9789 4.9880 5.3113 5.3744 5.5430 5.6145 8.3269 8.3580 8.8102 8.8483 9.2409 9.2982 9.9115 9.9519 10.2465 10.2915 k =-0.1613 0.2261 0.2777 ( 5849 PWs) bands (ev): -7.6979 -7.6963 -6.5104 -6.5094 -6.4830 -6.4800 -6.3582 -6.3540 -2.0974 -2.0473 -1.4561 -1.3766 -1.3667 -1.2824 -1.2492 -1.1305 -1.0779 -0.9205 0.0099 0.1196 0.1529 0.2146 0.2490 0.4044 0.4980 0.5278 0.5899 0.6322 0.6584 0.7675 1.4434 1.4651 1.5986 1.6354 2.4355 2.5329 2.7190 2.8274 3.0268 3.1327 3.4863 3.5343 4.4549 4.5319 4.5605 4.5754 4.9403 4.9434 5.3591 5.4218 5.5758 5.6471 8.2719 8.3020 8.8189 8.8569 9.1900 9.2393 9.8392 9.9068 10.2448 10.2786 k =-0.1523 0.2135 0.2623 ( 5841 PWs) bands (ev): -7.7164 -7.7149 -6.4936 -6.4923 -6.4727 -6.4709 -6.3561 -6.3527 -2.1026 -2.0506 -1.4565 -1.3790 -1.3664 -1.2815 -1.2511 -1.1309 -1.0897 -0.9275 0.0069 0.1212 0.1500 0.2126 0.2537 0.4110 0.4991 0.5245 0.5854 0.6338 0.6510 0.7627 1.4392 1.4658 1.6142 1.6407 2.4335 2.5254 2.7051 2.8120 3.0292 3.1364 3.4928 3.5480 4.4358 4.5321 4.5942 4.6361 4.8931 4.9067 5.4087 5.4689 5.6134 5.6826 8.2044 8.2332 8.8325 8.8696 9.1396 9.1771 9.7467 9.8330 10.2619 10.2898 k =-0.1434 0.2010 0.2469 ( 5833 PWs) bands (ev): -7.7343 -7.7330 -6.4803 -6.4768 -6.4609 -6.4606 -6.3532 -6.3506 -2.1078 -2.0544 -1.4567 -1.3819 -1.3661 -1.2812 -1.2518 -1.1321 -1.1003 -0.9350 0.0042 0.1225 0.1473 0.2124 0.2581 0.4175 0.4999 0.5210 0.5807 0.6329 0.6453 0.7566 1.4324 1.4674 1.6331 1.6492 2.4324 2.5175 2.6904 2.7957 3.0306 3.1367 3.5044 3.5660 4.4062 4.4992 4.6476 4.7143 4.8454 4.8805 5.4588 5.5150 5.6548 5.7202 8.1264 8.1537 8.8436 8.8851 9.0932 9.1151 9.6463 9.7438 10.2869 10.3117 k =-0.1344 0.1884 0.2314 ( 5825 PWs) bands (ev): -7.7518 -7.7505 -6.4711 -6.4657 -6.4478 -6.4458 -6.3496 -6.3477 -2.1131 -2.0589 -1.4565 -1.3850 -1.3659 -1.2816 -1.2510 -1.1346 -1.1091 -0.9430 0.0019 0.1221 0.1464 0.2138 0.2622 0.4239 0.5002 0.5171 0.5760 0.6275 0.6432 0.7491 1.4248 1.4681 1.6540 1.6628 2.4323 2.5094 2.6757 2.7792 3.0293 3.1321 3.5215 3.5885 4.3754 4.4659 4.6767 4.7820 4.8116 4.8839 5.5086 5.5599 5.6987 5.7592 8.0401 8.0657 8.8393 8.9012 9.0443 9.0734 9.5440 9.6480 10.3128 10.3369 k =-0.1254 0.1759 0.2160 ( 5823 PWs) bands (ev): -7.7685 -7.7673 -6.4647 -6.4588 -6.4320 -6.4297 -6.3453 -6.3440 -2.1183 -2.0638 -1.4561 -1.3883 -1.3658 -1.2828 -1.2490 -1.1389 -1.1155 -0.9513 0.0000 0.1189 0.1487 0.2165 0.2660 0.4301 0.5003 0.5130 0.5717 0.6197 0.6429 0.7403 1.4173 1.4673 1.6734 1.6846 2.4328 2.5013 2.6615 2.7628 3.0242 3.1216 3.5437 3.6152 4.3461 4.4345 4.6668 4.7458 4.8847 4.9297 5.5576 5.6036 5.7441 5.7989 7.9471 7.9711 8.8111 8.8990 9.0068 9.0644 9.4430 9.5503 10.3360 10.3618 k =-0.1165 0.1633 0.2006 ( 5821 PWs) bands (ev): -7.7845 -7.7834 -6.4600 -6.4540 -6.4157 -6.4135 -6.3406 -6.3396 -2.1233 -2.0694 -1.4553 -1.3915 -1.3656 -1.2846 -1.2460 -1.1449 -1.1196 -0.9601 -0.0015 0.1134 0.1538 0.2202 0.2693 0.4360 0.4998 0.5088 0.5678 0.6113 0.6426 0.7302 1.4103 1.4648 1.6939 1.7122 2.4341 2.4932 2.6481 2.7467 3.0143 3.1051 3.5704 3.6454 4.3194 4.4059 4.6345 4.6996 4.9709 5.0013 5.6054 5.6461 5.7900 5.8387 7.8490 7.8713 8.7633 8.8524 9.0147 9.0754 9.3451 9.4535 10.3551 10.3839 k =-0.1075 0.1507 0.1852 ( 5813 PWs) bands (ev): -7.7996 -7.7986 -6.4565 -6.4506 -6.3996 -6.3977 -6.3355 -6.3345 -2.1281 -2.0753 -1.4543 -1.3946 -1.3654 -1.2868 -1.2423 -1.1517 -1.1220 -0.9692 -0.0025 0.1067 0.1608 0.2247 0.2724 0.4415 0.4984 0.5053 0.5644 0.6029 0.6419 0.7187 1.4040 1.4608 1.7178 1.7427 2.4360 2.4854 2.6356 2.7312 2.9990 3.0827 3.6005 3.6786 4.2963 4.3806 4.5950 4.6543 5.0593 5.0841 5.6515 5.6875 5.8356 5.8781 7.7471 7.7678 8.7047 8.7850 9.0447 9.0962 9.2523 9.3598 10.3696 10.4014 k =-0.0986 0.1382 0.1697 ( 5801 PWs) bands (ev): -7.8137 -7.8128 -6.4539 -6.4481 -6.3843 -6.3826 -6.3301 -6.3291 -2.1326 -2.0816 -1.4530 -1.3976 -1.3651 -1.2893 -1.2382 -1.1586 -1.1233 -0.9786 -0.0030 0.0995 0.1689 0.2301 0.2751 0.4462 0.4956 0.5031 0.5617 0.5948 0.6406 0.7062 1.3984 1.4555 1.7452 1.7754 2.4387 2.4780 2.6243 2.7162 2.9782 3.0549 3.6327 3.7138 4.2769 4.3589 4.5545 4.6107 5.1492 5.1720 5.6957 5.7277 5.8800 5.9164 7.6423 7.6615 8.6414 8.7130 9.0795 9.1149 9.1702 9.2729 10.3796 10.4135 k =-0.0896 0.1256 0.1543 ( 5807 PWs) bands (ev): -7.8269 -7.8260 -6.4520 -6.4465 -6.3699 -6.3684 -6.3247 -6.3236 -2.1367 -2.0881 -1.4515 -1.4005 -1.3645 -1.2922 -1.2339 -1.1652 -1.1240 -0.9882 -0.0030 0.0920 0.1775 0.2361 0.2776 0.4497 0.4922 0.5021 0.5594 0.5872 0.6387 0.6928 1.3935 1.4494 1.7757 1.8100 2.4422 2.4713 2.6143 2.7017 2.9519 3.0223 3.6660 3.7498 4.2613 4.3411 4.5159 4.5693 5.2399 5.2626 5.7377 5.7669 5.9226 5.9533 7.5357 7.5533 8.5769 8.6408 9.0665 9.1202 9.1388 9.2110 10.3855 10.4200 k =-0.0806 0.1130 0.1389 ( 5817 PWs) bands (ev): -7.8389 -7.8382 -6.4505 -6.4454 -6.3566 -6.3553 -6.3192 -6.3181 -2.1404 -2.0948 -1.4497 -1.4032 -1.3636 -1.2953 -1.2296 -1.1713 -1.1240 -0.9981 -0.0024 0.0844 0.1864 0.2426 0.2803 0.4510 0.4898 0.5018 0.5574 0.5802 0.6362 0.6787 1.3896 1.4428 1.8089 1.8459 2.4467 2.4656 2.6056 2.6879 2.9203 2.9855 3.6993 3.7855 4.2490 4.3269 4.4809 4.5307 5.3306 5.3542 5.7776 5.8052 5.9630 5.9883 7.4281 7.4441 8.5136 8.5704 8.9945 9.0774 9.1621 9.2142 10.3876 10.4214 k =-0.0717 0.1005 0.1234 ( 5819 PWs) bands (ev): -7.8499 -7.8492 -6.4495 -6.4447 -6.3444 -6.3434 -6.3138 -6.3128 -2.1435 -2.1016 -1.4478 -1.4059 -1.3623 -1.2988 -1.2254 -1.1767 -1.1233 -1.0080 -0.0014 0.0769 0.1951 0.2492 0.2836 0.4496 0.4893 0.5019 0.5553 0.5742 0.6331 0.6645 1.3864 1.4358 1.8443 1.8825 2.4520 2.4614 2.5983 2.6747 2.8842 2.9453 3.7317 3.8197 4.2393 4.3165 4.4505 4.4951 5.4204 5.4456 5.8157 5.8430 6.0005 6.0210 7.3202 7.3346 8.4529 8.5032 8.9256 9.0062 9.1991 9.2403 10.3866 10.4186 k =-0.0627 0.0879 0.1080 ( 5823 PWs) bands (ev): -7.8596 -7.8590 -6.4486 -6.4444 -6.3336 -6.3328 -6.3085 -6.3078 -2.1461 -2.1082 -1.4457 -1.4085 -1.3605 -1.3026 -1.2215 -1.1815 -1.1218 -1.0180 0.0002 0.0695 0.2033 0.2548 0.2886 0.4454 0.4907 0.5025 0.5529 0.5692 0.6293 0.6508 1.3840 1.4288 1.8810 1.9192 2.4554 2.4622 2.5924 2.6620 2.8442 2.9025 3.7626 3.8509 4.2318 4.3094 4.4254 4.4630 5.5078 5.5350 5.8526 5.8809 6.0350 6.0510 7.2127 7.2256 8.3964 8.4404 8.8635 8.9377 9.2349 9.2688 10.3831 10.4127 k =-0.0538 0.0754 0.0926 ( 5835 PWs) bands (ev): -7.8681 -7.8676 -6.4480 -6.4443 -6.3243 -6.3238 -6.3035 -6.3030 -2.1480 -2.1147 -1.4434 -1.4111 -1.3583 -1.3067 -1.2178 -1.1856 -1.1193 -1.0281 0.0023 0.0623 0.2110 0.2585 0.2962 0.4390 0.4933 0.5039 0.5499 0.5651 0.6245 0.6386 1.3825 1.4219 1.9182 1.9549 2.4554 2.4704 2.5880 2.6499 2.8014 2.8580 3.7912 3.8776 4.2265 4.3052 4.4055 4.4346 5.5908 5.6199 5.8901 5.9199 6.0660 6.0779 7.1067 7.1180 8.3451 8.3831 8.8094 8.8754 9.2682 9.2962 10.3780 10.4046 k =-0.0448 0.0628 0.0771 ( 5833 PWs) bands (ev): -7.8754 -7.8749 -6.4476 -6.4444 -6.3166 -6.3163 -6.2989 -6.2986 -2.1492 -2.1208 -1.4410 -1.4137 -1.3555 -1.3111 -1.2145 -1.1893 -1.1159 -1.0381 0.0049 0.0554 0.2181 0.2599 0.3065 0.4310 0.4965 0.5062 0.5464 0.5612 0.6183 0.6293 1.3817 1.4153 1.9547 1.9886 2.4570 2.4819 2.5851 2.6384 2.7571 2.8125 3.8174 3.8986 4.2239 4.3030 4.3904 4.4103 5.6661 5.6961 5.9310 5.9619 6.0933 6.1015 7.0031 7.0128 8.3003 8.3321 8.7636 8.8203 9.2982 9.3208 10.3722 10.3955 k =-0.0358 0.0502 0.0617 ( 5825 PWs) bands (ev): -7.8813 -7.8810 -6.4472 -6.4446 -6.3106 -6.3103 -6.2946 -6.2945 -2.1496 -2.1266 -1.4385 -1.4164 -1.3522 -1.3157 -1.2116 -1.1924 -1.1115 -1.0480 0.0081 0.0487 0.2247 0.2594 0.3189 0.4218 0.5000 0.5091 0.5426 0.5565 0.6118 0.6229 1.3818 1.4091 1.9893 2.0188 2.4618 2.4964 2.5834 2.6275 2.7131 2.7670 3.8408 3.9128 4.2252 4.3009 4.3788 4.3911 5.7301 5.7582 5.9788 6.0086 6.1170 6.1219 6.9037 6.9116 8.2628 8.2884 8.7268 8.7731 9.3242 9.3419 10.3666 10.3861 k =-0.0269 0.0377 0.0463 ( 5825 PWs) bands (ev): -7.8860 -7.8857 -6.4468 -6.4449 -6.3062 -6.3059 -6.2911 -6.2910 -2.1493 -2.1318 -1.4358 -1.4191 -1.3484 -1.3205 -1.2090 -1.1952 -1.1060 -1.0576 0.0117 0.0423 0.2308 0.2575 0.3325 0.4115 0.5040 0.5124 0.5388 0.5504 0.6071 0.6180 1.3826 1.4034 2.0201 2.0439 2.4707 2.5142 2.5823 2.6170 2.6719 2.7223 3.8614 3.9199 4.2306 4.2970 4.3695 4.3779 5.7797 5.8023 6.0337 6.0592 6.1373 6.1400 6.8111 6.8172 8.2334 8.2528 8.6992 8.7345 9.3456 9.3587 10.3621 10.3772 k =-0.0179 0.0251 0.0309 ( 5833 PWs) bands (ev): -7.8893 -7.8891 -6.4465 -6.4452 -6.3031 -6.3029 -6.2883 -6.2883 -2.1483 -2.1365 -1.4331 -1.4219 -1.3443 -1.3254 -1.2066 -1.1977 -1.0996 -1.0670 0.0157 0.0362 0.2364 0.2546 0.3466 0.4001 0.5086 0.5157 0.5353 0.5433 0.6051 0.6138 1.3843 1.3982 2.0453 2.0621 2.4847 2.5343 2.5799 2.6075 2.6381 2.6795 3.8793 3.9205 4.2398 4.2895 4.3633 4.3701 5.8142 5.8293 6.0867 6.1055 6.1560 6.1601 6.7305 6.7347 8.2129 8.2259 8.6810 8.7049 9.3619 9.3705 10.3591 10.3695 k =-0.0090 0.0126 0.0154 ( 5833 PWs) bands (ev): -7.8913 -7.8912 -6.4462 -6.4455 -6.3014 -6.3012 -6.2866 -6.2865 -2.1464 -2.1405 -1.4303 -1.4247 -1.3399 -1.3303 -1.2044 -1.2000 -1.0924 -1.0760 0.0202 0.0305 0.2417 0.2509 0.3608 0.3878 0.5136 0.5181 0.5326 0.5367 0.6053 0.6101 1.3867 1.3936 2.0632 2.0719 2.5039 2.5448 2.5801 2.6034 2.6173 2.6399 3.8945 3.9158 4.2518 4.2784 4.3611 4.3651 5.8350 5.8425 6.1213 6.1303 6.1806 6.1837 6.6718 6.6739 8.2017 8.2082 8.6725 8.6845 9.3727 9.3770 10.3583 10.3636 k = 0.0000 0.0000 0.0000 ( 5831 PWs) bands (ev): -7.8919 -7.8919 -6.4458 -6.4458 -6.3007 -6.3007 -6.2860 -6.2860 -2.1439 -2.1439 -1.4275 -1.4275 -1.3352 -1.3352 -1.2022 -1.2022 -1.0845 -1.0845 0.0252 0.0252 0.2465 0.2465 0.3746 0.3746 0.5175 0.5175 0.5325 0.5325 0.6072 0.6072 1.3898 1.3898 2.0723 2.0723 2.5269 2.5269 2.6039 2.6039 2.6080 2.6080 3.9068 3.9068 4.2652 4.2652 4.3621 4.3621 5.8442 5.8442 6.1337 6.1337 6.1955 6.1955 6.6499 6.6499 8.2001 8.2001 8.6737 8.6737 9.3778 9.3778 10.3598 10.3598 k = 0.0000 0.0000 0.0000 ( 5831 PWs) bands (ev): -7.8919 -7.8919 -6.4458 -6.4458 -6.3007 -6.3007 -6.2860 -6.2860 -2.1439 -2.1439 -1.4275 -1.4275 -1.3352 -1.3352 -1.2022 -1.2022 -1.0845 -1.0845 0.0252 0.0252 0.2465 0.2465 0.3746 0.3746 0.5175 0.5175 0.5325 0.5325 0.6072 0.6072 1.3898 1.3898 2.0723 2.0723 2.5269 2.5269 2.6039 2.6039 2.6080 2.6080 3.9068 3.9068 4.2652 4.2652 4.3621 4.3621 5.8442 5.8442 6.1337 6.1337 6.1955 6.1955 6.6499 6.6499 8.2001 8.2001 8.6737 8.6737 9.3778 9.3778 10.3598 10.3598 k = 0.0179 0.0127-0.0000 ( 5839 PWs) bands (ev): -7.8912 -7.8912 -6.4471 -6.4471 -6.3007 -6.3007 -6.2860 -6.2860 -2.1435 -2.1435 -1.4273 -1.4273 -1.3351 -1.3351 -1.2022 -1.2022 -1.0846 -1.0846 0.0255 0.0255 0.2463 0.2463 0.3743 0.3743 0.5156 0.5156 0.5333 0.5333 0.6073 0.6073 1.3901 1.3901 2.0723 2.0723 2.5280 2.5280 2.6044 2.6044 2.6097 2.6097 3.9087 3.9087 4.2667 4.2667 4.3635 4.3635 5.8366 5.8366 6.1191 6.1191 6.1923 6.1923 6.6699 6.6699 8.2002 8.2002 8.6755 8.6755 9.3714 9.3714 10.3588 10.3588 k = 0.0357 0.0255-0.0000 ( 5839 PWs) bands (ev): -7.8891 -7.8891 -6.4509 -6.4509 -6.3007 -6.3007 -6.2861 -6.2861 -2.1426 -2.1426 -1.4265 -1.4265 -1.3348 -1.3348 -1.2021 -1.2021 -1.0847 -1.0847 0.0266 0.0266 0.2458 0.2458 0.3734 0.3734 0.5108 0.5108 0.5349 0.5349 0.6078 0.6078 1.3910 1.3910 2.0722 2.0722 2.5314 2.5314 2.6063 2.6063 2.6142 2.6143 3.9145 3.9145 4.2709 4.2709 4.3678 4.3678 5.8132 5.8132 6.0827 6.0827 6.1829 6.1829 6.7231 6.7231 8.2006 8.2006 8.6807 8.6807 9.3527 9.3527 10.3555 10.3555 k = 0.0536 0.0382-0.0000 ( 5831 PWs) bands (ev): -7.8857 -7.8857 -6.4571 -6.4571 -6.3007 -6.3007 -6.2862 -6.2862 -2.1411 -2.1411 -1.4252 -1.4252 -1.3343 -1.3343 -1.2018 -1.2018 -1.0849 -1.0849 0.0283 0.0283 0.2449 0.2449 0.3719 0.3719 0.5046 0.5046 0.5360 0.5360 0.6085 0.6085 1.3925 1.3925 2.0720 2.0720 2.5369 2.5369 2.6101 2.6101 2.6211 2.6211 3.9240 3.9240 4.2780 4.2780 4.3749 4.3749 5.7731 5.7731 6.0376 6.0376 6.1673 6.1673 6.7975 6.7975 8.2013 8.2013 8.6895 8.6895 9.3225 9.3225 10.3490 10.3490 k = 0.0714 0.0510-0.0000 ( 5839 PWs) bands (ev): -7.8808 -7.8808 -6.4657 -6.4657 -6.3007 -6.3007 -6.2864 -6.2864 -2.1390 -2.1390 -1.4235 -1.4235 -1.3335 -1.3335 -1.2016 -1.2015 -1.0851 -1.0851 0.0307 0.0307 0.2437 0.2437 0.3696 0.3696 0.4976 0.4976 0.5362 0.5362 0.6094 0.6094 1.3946 1.3946 2.0718 2.0718 2.5444 2.5444 2.6159 2.6159 2.6301 2.6301 3.9371 3.9371 4.2879 4.2879 4.3848 4.3848 5.7168 5.7168 5.9925 5.9925 6.1459 6.1459 6.8838 6.8838 8.2022 8.2022 8.7015 8.7015 9.2820 9.2820 10.3378 10.3379 k = 0.0893 0.0637-0.0000 ( 5843 PWs) bands (ev): -7.8746 -7.8746 -6.4767 -6.4767 -6.3008 -6.3008 -6.2866 -6.2866 -2.1364 -2.1364 -1.4214 -1.4214 -1.3326 -1.3326 -1.2012 -1.2012 -1.0855 -1.0855 0.0338 0.0338 0.2423 0.2423 0.3664 0.3664 0.4903 0.4903 0.5355 0.5355 0.6104 0.6104 1.3973 1.3973 2.0717 2.0717 2.5537 2.5537 2.6236 2.6236 2.6411 2.6411 3.9538 3.9538 4.3003 4.3004 4.3972 4.3972 5.6476 5.6476 5.9501 5.9501 6.1190 6.1190 6.9766 6.9766 8.2033 8.2033 8.7165 8.7165 9.2330 9.2330 10.3205 10.3205 k = 0.1071 0.0764-0.0000 ( 5846 PWs) bands (ev): -7.8671 -7.8671 -6.4899 -6.4899 -6.3008 -6.3008 -6.2868 -6.2868 -2.1334 -2.1334 -1.4190 -1.4190 -1.3314 -1.3314 -1.2008 -1.2008 -1.0858 -1.0858 0.0375 0.0375 0.2406 0.2406 0.3623 0.3623 0.4831 0.4831 0.5339 0.5339 0.6113 0.6113 1.4004 1.4004 2.0718 2.0718 2.5646 2.5646 2.6333 2.6333 2.6540 2.6540 3.9738 3.9738 4.3154 4.3154 4.4122 4.4122 5.5698 5.5698 5.9093 5.9093 6.0869 6.0869 7.0728 7.0728 8.2047 8.2047 8.7343 8.7343 9.1772 9.1772 10.2952 10.2952 k = 0.1250 0.0892-0.0000 ( 5846 PWs) bands (ev): -7.8582 -7.8582 -6.5052 -6.5052 -6.3008 -6.3008 -6.2871 -6.2871 -2.1299 -2.1299 -1.4164 -1.4164 -1.3300 -1.3300 -1.2004 -1.2004 -1.0863 -1.0863 0.0418 0.0418 0.2389 0.2389 0.3571 0.3571 0.4762 0.4762 0.5316 0.5316 0.6122 0.6122 1.4040 1.4040 2.0721 2.0721 2.5767 2.5767 2.6447 2.6448 2.6686 2.6687 3.9969 3.9969 4.3328 4.3328 4.4294 4.4294 5.4874 5.4874 5.8686 5.8686 6.0502 6.0502 7.1704 7.1704 8.2062 8.2062 8.7541 8.7541 9.1167 9.1167 10.2610 10.2610 k = 0.1429 0.1019-0.0000 ( 5838 PWs) bands (ev): -7.8481 -7.8481 -6.5225 -6.5225 -6.3008 -6.3008 -6.2874 -6.2874 -2.1260 -2.1260 -1.4137 -1.4137 -1.3283 -1.3283 -1.2000 -1.2000 -1.0867 -1.0867 0.0466 0.0466 0.2370 0.2370 0.3510 0.3510 0.4700 0.4700 0.5287 0.5287 0.6128 0.6128 1.4081 1.4081 2.0727 2.0727 2.5896 2.5896 2.6580 2.6580 2.6850 2.6850 4.0228 4.0228 4.3524 4.3524 4.4487 4.4488 5.4030 5.4030 5.8269 5.8269 6.0094 6.0094 7.2680 7.2680 8.2078 8.2079 8.7745 8.7745 9.0543 9.0543 10.2173 10.2173 k = 0.1607 0.1146-0.0000 ( 5822 PWs) bands (ev): -7.8368 -7.8368 -6.5417 -6.5417 -6.3008 -6.3008 -6.2878 -6.2878 -2.1219 -2.1219 -1.4110 -1.4110 -1.3264 -1.3264 -1.1996 -1.1996 -1.0873 -1.0873 0.0519 0.0519 0.2352 0.2352 0.3439 0.3439 0.4646 0.4646 0.5253 0.5253 0.6133 0.6133 1.4126 1.4126 2.0738 2.0738 2.6029 2.6029 2.6730 2.6730 2.7030 2.7030 4.0513 4.0513 4.3740 4.3740 4.4700 4.4700 5.3188 5.3188 5.7836 5.7836 5.9649 5.9649 7.3647 7.3647 8.2096 8.2096 8.7918 8.7918 8.9949 8.9949 10.1647 10.1647 k = 0.1786 0.1274-0.0000 ( 5818 PWs) bands (ev): -7.8243 -7.8243 -6.5625 -6.5625 -6.3008 -6.3008 -6.2882 -6.2882 -2.1175 -2.1175 -1.4083 -1.4083 -1.3243 -1.3243 -1.1993 -1.1993 -1.0879 -1.0879 0.0575 0.0575 0.2334 0.2334 0.3361 0.3361 0.4599 0.4599 0.5216 0.5216 0.6136 0.6136 1.4175 1.4175 2.0755 2.0755 2.6158 2.6158 2.6897 2.6898 2.7224 2.7224 4.0819 4.0819 4.3973 4.3973 4.4928 4.4929 5.2361 5.2361 5.7387 5.7387 5.9175 5.9175 7.4598 7.4598 8.2113 8.2113 8.7956 8.7956 8.9498 8.9498 10.1042 10.1042 k = 0.1964 0.1401-0.0000 ( 5818 PWs) bands (ev): -7.8108 -7.8108 -6.5849 -6.5849 -6.3008 -6.3008 -6.2886 -6.2886 -2.1130 -2.1130 -1.4057 -1.4057 -1.3219 -1.3219 -1.1989 -1.1989 -1.0886 -1.0886 0.0632 0.0632 0.2315 0.2315 0.3281 0.3281 0.4561 0.4561 0.5178 0.5178 0.6135 0.6135 1.4227 1.4227 2.0779 2.0779 2.6277 2.6277 2.7083 2.7083 2.7432 2.7432 4.1144 4.1144 4.4221 4.4221 4.5171 4.5171 5.1559 5.1559 5.6922 5.6922 5.8677 5.8677 7.5524 7.5524 8.2129 8.2129 8.7688 8.7688 8.9368 8.9368 10.0373 10.0373 k = 0.2143 0.1529-0.0000 ( 5818 PWs) bands (ev): -7.7961 -7.7961 -6.6085 -6.6085 -6.3008 -6.3008 -6.2891 -6.2891 -2.1083 -2.1083 -1.4033 -1.4033 -1.3193 -1.3193 -1.1986 -1.1986 -1.0894 -1.0894 0.0689 0.0689 0.2297 0.2297 0.3200 0.3200 0.4530 0.4530 0.5140 0.5141 0.6132 0.6132 1.4282 1.4282 2.0811 2.0811 2.6379 2.6379 2.7286 2.7286 2.7652 2.7652 4.1484 4.1484 4.4480 4.4481 4.5424 4.5425 5.0792 5.0792 5.6445 5.6445 5.8160 5.8160 7.6419 7.6419 8.2143 8.2143 8.7161 8.7161 8.9521 8.9521 9.9659 9.9659 k = 0.2321 0.1656-0.0000 ( 5830 PWs) bands (ev): -7.7806 -7.7806 -6.6333 -6.6333 -6.3007 -6.3007 -6.2896 -6.2896 -2.1037 -2.1037 -1.4012 -1.4012 -1.3165 -1.3165 -1.1984 -1.1984 -1.0903 -1.0903 0.0744 0.0744 0.2277 0.2277 0.3125 0.3125 0.4507 0.4507 0.5105 0.5105 0.6127 0.6127 1.4340 1.4340 2.0853 2.0853 2.6457 2.6457 2.7505 2.7505 2.7882 2.7882 4.1834 4.1834 4.4747 4.4747 4.5686 4.5686 5.0067 5.0067 5.5959 5.5959 5.7631 5.7631 7.7277 7.7277 8.2154 8.2154 8.6543 8.6543 8.9795 8.9795 9.8917 9.8917 k = 0.2500 0.1783-0.0000 ( 5818 PWs) bands (ev): -7.7642 -7.7642 -6.6590 -6.6590 -6.3007 -6.3007 -6.2901 -6.2901 -2.0990 -2.0990 -1.3992 -1.3992 -1.3136 -1.3136 -1.1981 -1.1981 -1.0914 -1.0914 0.0795 0.0795 0.2255 0.2255 0.3058 0.3058 0.4489 0.4489 0.5073 0.5073 0.6118 0.6118 1.4401 1.4401 2.0906 2.0906 2.6508 2.6508 2.7739 2.7739 2.8121 2.8121 4.2190 4.2190 4.5016 4.5017 4.5952 4.5952 4.9391 4.9391 5.5470 5.5470 5.7096 5.7096 7.8090 7.8090 8.2160 8.2160 8.5915 8.5915 9.0114 9.0114 9.8164 9.8164 k = 0.2679 0.1911-0.0000 ( 5822 PWs) bands (ev): -7.7471 -7.7471 -6.6853 -6.6853 -6.3006 -6.3006 -6.2906 -6.2906 -2.0945 -2.0945 -1.3976 -1.3976 -1.3107 -1.3107 -1.1978 -1.1978 -1.0927 -1.0927 0.0839 0.0839 0.2229 0.2229 0.3003 0.3003 0.4478 0.4478 0.5047 0.5047 0.6107 0.6107 1.4463 1.4463 2.0972 2.0972 2.6525 2.6525 2.7985 2.7985 2.8366 2.8366 4.2547 4.2547 4.5283 4.5283 4.6219 4.6219 4.8772 4.8772 5.4982 5.4982 5.6560 5.6560 7.8846 7.8846 8.2158 8.2158 8.5318 8.5318 9.0448 9.0448 9.7414 9.7414 k = 0.2857 0.2038-0.0000 ( 5818 PWs) bands (ev): -7.7294 -7.7294 -6.7120 -6.7120 -6.3006 -6.3006 -6.2911 -6.2911 -2.0901 -2.0901 -1.3962 -1.3962 -1.3077 -1.3077 -1.1975 -1.1975 -1.0942 -1.0942 0.0875 0.0875 0.2201 0.2201 0.2960 0.2960 0.4474 0.4474 0.5027 0.5027 0.6093 0.6093 1.4526 1.4526 2.1051 2.1051 2.6508 2.6508 2.8240 2.8240 2.8615 2.8615 4.2900 4.2900 4.5540 4.5540 4.6482 4.6482 4.8219 4.8219 5.4501 5.4501 5.6030 5.6030 7.9530 7.9530 8.2145 8.2145 8.4782 8.4782 9.0777 9.0777 9.6681 9.6681 k = 0.3036 0.2166-0.0000 ( 5818 PWs) bands (ev): -7.7114 -7.7114 -6.7388 -6.7388 -6.3005 -6.3005 -6.2916 -6.2916 -2.0858 -2.0858 -1.3950 -1.3950 -1.3047 -1.3047 -1.1971 -1.1971 -1.0959 -1.0959 0.0901 0.0902 0.2169 0.2169 0.2930 0.2930 0.4475 0.4475 0.5016 0.5016 0.6075 0.6075 1.4590 1.4590 2.1146 2.1146 2.6452 2.6452 2.8500 2.8500 2.8863 2.8864 4.3242 4.3242 4.5775 4.5775 4.6729 4.6729 4.7752 4.7752 5.4033 5.4033 5.5511 5.5511 8.0114 8.0114 8.2113 8.2113 8.4351 8.4351 9.1087 9.1087 9.5977 9.5977 k = 0.3214 0.2293-0.0000 ( 5826 PWs) bands (ev): -7.6931 -7.6931 -6.7655 -6.7655 -6.3004 -6.3004 -6.2922 -6.2922 -2.0818 -2.0818 -1.3940 -1.3940 -1.3018 -1.3018 -1.1966 -1.1966 -1.0978 -1.0978 0.0919 0.0919 0.2137 0.2137 0.2909 0.2909 0.4482 0.4482 0.5015 0.5015 0.6054 0.6054 1.4654 1.4654 2.1258 2.1258 2.6358 2.6358 2.8761 2.8761 2.9109 2.9109 4.3568 4.3568 4.5968 4.5968 4.6918 4.6918 4.7429 4.7429 5.3585 5.3585 5.5009 5.5009 8.0555 8.0555 8.2056 8.2056 8.4078 8.4078 9.1363 9.1363 9.5312 9.5312 k = 0.3393 0.2420-0.0000 ( 5834 PWs) bands (ev): -7.6748 -7.6748 -6.7916 -6.7916 -6.3003 -6.3003 -6.2927 -6.2927 -2.0781 -2.0781 -1.3933 -1.3933 -1.2991 -1.2991 -1.1960 -1.1960 -1.0999 -1.0999 0.0927 0.0927 0.2107 0.2107 0.2894 0.2894 0.4493 0.4493 0.5027 0.5027 0.6030 0.6030 1.4717 1.4717 2.1387 2.1387 2.6226 2.6226 2.9019 2.9019 2.9348 2.9348 4.3869 4.3869 4.6074 4.6074 4.6922 4.6922 4.7416 4.7416 5.3164 5.3164 5.4528 5.4528 8.0794 8.0794 8.1987 8.1987 8.4015 8.4015 9.1588 9.1588 9.4698 9.4698 k = 0.3571 0.2548-0.0000 ( 5842 PWs) bands (ev): -7.6568 -7.6568 -6.8169 -6.8169 -6.3001 -6.3001 -6.2932 -6.2932 -2.0746 -2.0746 -1.3927 -1.3927 -1.2966 -1.2966 -1.1953 -1.1953 -1.1021 -1.1021 0.0926 0.0926 0.2080 0.2080 0.2881 0.2881 0.4505 0.4505 0.5052 0.5052 0.6002 0.6002 1.4777 1.4777 2.1535 2.1535 2.6057 2.6057 2.9270 2.9270 2.9576 2.9576 4.4136 4.4136 4.6045 4.6045 4.6903 4.6903 4.7598 4.7598 5.2778 5.2778 5.4074 5.4074 8.0799 8.0799 8.1942 8.1942 8.4158 8.4158 9.1746 9.1746 9.4142 9.4142 k = 0.3750 0.2675-0.0000 ( 5826 PWs) bands (ev): -7.6394 -7.6394 -6.8409 -6.8409 -6.2999 -6.2999 -6.2937 -6.2937 -2.0715 -2.0715 -1.3922 -1.3922 -1.2943 -1.2943 -1.1944 -1.1944 -1.1045 -1.1045 0.0920 0.0920 0.2058 0.2058 0.2870 0.2870 0.4518 0.4518 0.5091 0.5091 0.5969 0.5969 1.4835 1.4835 2.1702 2.1702 2.5855 2.5855 2.9509 2.9510 2.9788 2.9788 4.4356 4.4356 4.5932 4.5932 4.6979 4.6980 4.7802 4.7802 5.2434 5.2434 5.3651 5.3651 8.0633 8.0633 8.1928 8.1928 8.4442 8.4442 9.1818 9.1818 9.3651 9.3651 k = 0.3929 0.2802-0.0000 ( 5822 PWs) bands (ev): -7.6230 -7.6230 -6.8632 -6.8632 -6.2998 -6.2998 -6.2942 -6.2942 -2.0687 -2.0687 -1.3919 -1.3919 -1.2923 -1.2923 -1.1934 -1.1934 -1.1069 -1.1069 0.0908 0.0908 0.2041 0.2041 0.2857 0.2857 0.4529 0.4529 0.5144 0.5144 0.5932 0.5932 1.4887 1.4887 2.1887 2.1887 2.5626 2.5626 2.9733 2.9733 2.9981 2.9981 4.4514 4.4514 4.5831 4.5831 4.7091 4.7092 4.7992 4.7993 5.2141 5.2141 5.3262 5.3262 8.0391 8.0391 8.1923 8.1923 8.4792 8.4792 9.1796 9.1796 9.3226 9.3226 k = 0.4107 0.2930-0.0000 ( 5814 PWs) bands (ev): -7.6079 -7.6079 -6.8833 -6.8833 -6.2996 -6.2996 -6.2946 -6.2946 -2.0664 -2.0664 -1.3916 -1.3916 -1.2905 -1.2905 -1.1924 -1.1924 -1.1092 -1.1092 0.0895 0.0895 0.2029 0.2029 0.2844 0.2844 0.4538 0.4538 0.5207 0.5207 0.5890 0.5890 1.4934 1.4934 2.2088 2.2088 2.5376 2.5376 2.9935 2.9935 3.0150 3.0150 4.4601 4.4601 4.5788 4.5788 4.7201 4.7201 4.8158 4.8158 5.1908 5.1908 5.2909 5.2909 8.0139 8.0139 8.1915 8.1915 8.5153 8.5153 9.1691 9.1691 9.2864 9.2864 k = 0.4286 0.3057-0.0000 ( 5830 PWs) bands (ev): -7.5947 -7.5947 -6.9008 -6.9008 -6.2994 -6.2994 -6.2951 -6.2951 -2.0644 -2.0644 -1.3915 -1.3915 -1.2891 -1.2891 -1.1914 -1.1914 -1.1113 -1.1113 0.0880 0.0880 0.2021 0.2021 0.2831 0.2831 0.4544 0.4544 0.5279 0.5279 0.5842 0.5842 1.4975 1.4975 2.2301 2.2301 2.5115 2.5115 3.0112 3.0113 3.0291 3.0292 4.4627 4.4627 4.5801 4.5801 4.7296 4.7296 4.8293 4.8293 5.1740 5.1740 5.2595 5.2595 7.9910 7.9910 8.1905 8.1905 8.5489 8.5489 9.1537 9.1537 9.2560 9.2560 k = 0.4464 0.3185-0.0000 ( 5822 PWs) bands (ev): -7.5838 -7.5838 -6.9151 -6.9151 -6.2992 -6.2992 -6.2954 -6.2954 -2.0628 -2.0628 -1.3913 -1.3913 -1.2879 -1.2879 -1.1904 -1.1904 -1.1131 -1.1131 0.0867 0.0867 0.2016 0.2016 0.2820 0.2820 0.4549 0.4549 0.5355 0.5355 0.5790 0.5790 1.5007 1.5007 2.2517 2.2517 2.4855 2.4855 3.0260 3.0260 3.0401 3.0401 4.4616 4.4616 4.5846 4.5846 4.7370 4.7370 4.8394 4.8394 5.1642 5.1642 5.2321 5.2321 7.9721 7.9721 8.1894 8.1894 8.5775 8.5775 9.1376 9.1376 9.2316 9.2316 k = 0.4643 0.3312-0.0000 ( 5814 PWs) bands (ev): -7.5756 -7.5756 -6.9257 -6.9257 -6.2990 -6.2990 -6.2957 -6.2957 -2.0617 -2.0617 -1.3913 -1.3913 -1.2871 -1.2871 -1.1897 -1.1897 -1.1145 -1.1145 0.0857 0.0857 0.2014 0.2014 0.2810 0.2810 0.4551 0.4551 0.5431 0.5431 0.5732 0.5732 1.5031 1.5031 2.2720 2.2720 2.4617 2.4617 3.0373 3.0373 3.0476 3.0476 4.4594 4.4594 4.5894 4.5894 4.7422 4.7422 4.8461 4.8461 5.1613 5.1613 5.2087 5.2088 7.9580 7.9580 8.1884 8.1884 8.5995 8.5995 9.1240 9.1240 9.2136 9.2136 k = 0.4821 0.3439-0.0000 ( 5814 PWs) bands (ev): -7.5705 -7.5705 -6.9322 -6.9322 -6.2989 -6.2989 -6.2959 -6.2959 -2.0610 -2.0610 -1.3912 -1.3912 -1.2867 -1.2867 -1.1892 -1.1892 -1.1154 -1.1154 0.0850 0.0850 0.2012 0.2012 0.2804 0.2804 0.4553 0.4553 0.5503 0.5503 0.5673 0.5673 1.5046 1.5046 2.2878 2.2878 2.4438 2.4438 3.0448 3.0448 3.0517 3.0517 4.4576 4.4576 4.5929 4.5929 4.7454 4.7454 4.8499 4.8499 5.1648 5.1648 5.1898 5.1898 7.9494 7.9494 8.1877 8.1877 8.6133 8.6133 9.1151 9.1151 9.2026 9.2026 k = 0.5000 0.3567-0.0000 ( 5814 PWs) bands (ev): -7.5688 -7.5688 -6.9344 -6.9344 -6.2988 -6.2988 -6.2960 -6.2960 -2.0608 -2.0608 -1.3912 -1.3912 -1.2865 -1.2865 -1.1890 -1.1890 -1.1157 -1.1157 0.0848 0.0848 0.2012 0.2012 0.2802 0.2802 0.4553 0.4553 0.5547 0.5547 0.5634 0.5634 1.5051 1.5051 2.2941 2.2941 2.4368 2.4368 3.0476 3.0476 3.0528 3.0528 4.4569 4.4569 4.5942 4.5942 4.7464 4.7464 4.8511 4.8511 5.1713 5.1713 5.1781 5.1781 7.9465 7.9465 8.1875 8.1875 8.6180 8.6180 9.1121 9.1121 9.1989 9.1989 k = 0.5000 0.3567-0.0000 ( 5814 PWs) bands (ev): -7.5688 -7.5688 -6.9344 -6.9344 -6.2988 -6.2988 -6.2960 -6.2960 -2.0608 -2.0608 -1.3912 -1.3912 -1.2865 -1.2865 -1.1890 -1.1890 -1.1157 -1.1157 0.0848 0.0848 0.2012 0.2012 0.2802 0.2802 0.4553 0.4553 0.5547 0.5547 0.5634 0.5634 1.5051 1.5051 2.2941 2.2941 2.4368 2.4368 3.0476 3.0476 3.0528 3.0528 4.4569 4.4569 4.5942 4.5942 4.7464 4.7464 4.8511 4.8511 5.1713 5.1713 5.1781 5.1781 7.9465 7.9465 8.1875 8.1875 8.6180 8.6180 9.1121 9.1121 9.1989 9.1989 k = 0.4911 0.3691 0.0153 ( 5816 PWs) bands (ev): -7.5685 -7.5683 -6.9341 -6.9339 -6.2997 -6.2992 -6.2967 -6.2962 -2.0634 -2.0582 -1.3928 -1.3896 -1.2907 -1.2836 -1.1922 -1.1865 -1.1235 -1.1045 0.0766 0.0935 0.1957 0.2055 0.2787 0.2836 0.4492 0.4606 0.5524 0.5543 0.5617 0.5690 1.5046 1.5055 2.2890 2.2921 2.4348 2.4392 3.0461 3.0500 3.0529 3.0554 4.4416 4.4613 4.5804 4.6015 4.7317 4.7634 4.8474 4.8609 5.1595 5.1714 5.1773 5.1904 7.9471 7.9510 8.1896 8.1901 8.6132 8.6189 9.0890 9.1403 9.1985 9.2051 k = 0.4822 0.3816 0.0306 ( 5816 PWs) bands (ev): -7.5675 -7.5671 -6.9330 -6.9325 -6.3023 -6.3013 -6.2977 -6.2967 -2.0659 -2.0556 -1.3942 -1.3879 -1.2961 -1.2822 -1.1959 -1.1847 -1.1272 -1.0907 0.0690 0.1026 0.1893 0.2086 0.2796 0.2888 0.4423 0.4647 0.5473 0.5540 0.5640 0.5759 1.5041 1.5059 2.2772 2.2834 2.4335 2.4422 3.0442 3.0498 3.0592 3.0620 4.4180 4.4535 4.5617 4.6000 4.7241 4.7768 4.8524 4.8739 5.1476 5.1630 5.1781 5.2096 7.9526 7.9601 8.1963 8.1975 8.6049 8.6163 9.0738 9.1672 9.2081 9.2150 k = 0.4734 0.3940 0.0459 ( 5814 PWs) bands (ev): -7.5657 -7.5651 -6.9310 -6.9303 -6.3071 -6.3057 -6.2987 -6.2971 -2.0683 -2.0531 -1.3955 -1.3862 -1.3022 -1.2821 -1.2002 -1.1834 -1.1268 -1.0750 0.0620 0.1120 0.1822 0.2106 0.2825 0.2953 0.4350 0.4676 0.5420 0.5543 0.5679 0.5834 1.5037 1.5062 2.2591 2.2686 2.4327 2.4457 3.0409 3.0480 3.0697 3.0730 4.3890 4.4351 4.5388 4.5888 4.7241 4.7846 4.8628 4.8904 5.1333 5.1527 5.1810 5.2324 7.9625 7.9733 8.2074 8.2101 8.5941 8.6114 9.0670 9.1847 9.2226 9.2377 k = 0.4645 0.4064 0.0611 ( 5830 PWs) bands (ev): -7.5632 -7.5624 -6.9283 -6.9273 -6.3138 -6.3121 -6.2997 -6.2974 -2.0706 -2.0506 -1.3966 -1.3848 -1.3089 -1.2832 -1.2050 -1.1822 -1.1228 -1.0578 0.0558 0.1215 0.1748 0.2119 0.2872 0.3025 0.4273 0.4692 0.5369 0.5554 0.5729 0.5913 1.5031 1.5064 2.2357 2.2486 2.4326 2.4496 3.0362 3.0452 3.0833 3.0873 4.3568 4.4091 4.5130 4.5691 4.7276 4.7892 4.8701 4.9112 5.1160 5.1409 5.1896 5.2580 7.9761 7.9895 8.2227 8.2282 8.5827 8.6059 9.0677 9.1967 9.2372 9.2737 k = 0.4556 0.4189 0.0764 ( 5838 PWs) bands (ev): -7.5599 -7.5590 -6.9247 -6.9234 -6.3224 -6.3203 -6.3007 -6.2979 -2.0727 -2.0481 -1.3975 -1.3836 -1.3157 -1.2850 -1.2102 -1.1807 -1.1161 -1.0395 0.0503 0.1309 0.1673 0.2130 0.2933 0.3102 0.4196 0.4694 0.5321 0.5572 0.5788 0.5996 1.5025 1.5065 2.2079 2.2244 2.4331 2.4540 3.0301 3.0412 3.0993 3.1040 4.3229 4.3785 4.4854 4.5437 4.7298 4.7920 4.8712 4.9326 5.0984 5.1287 5.2046 5.2857 7.9924 8.0077 8.2421 8.2517 8.5729 8.6018 9.0747 9.2069 9.2590 9.3149 k = 0.4467 0.4313 0.0917 ( 5836 PWs) bands (ev): -7.5561 -7.5549 -6.9203 -6.9188 -6.3327 -6.3302 -6.3019 -6.2985 -2.0747 -2.0457 -1.3983 -1.3829 -1.3225 -1.2869 -1.2156 -1.1787 -1.1076 -1.0206 0.0457 0.1399 0.1602 0.2141 0.3004 0.3179 0.4120 0.4684 0.5279 0.5595 0.5855 0.6084 1.5016 1.5062 2.1767 2.1970 2.4343 2.4588 3.0224 3.0359 3.1167 3.1223 4.2884 4.3458 4.4568 4.5144 4.7270 4.7922 4.8666 4.9484 5.0849 5.1190 5.2249 5.3151 8.0104 8.0274 8.2648 8.2792 8.5673 8.6016 9.0865 9.2165 9.2902 9.3610 k = 0.4379 0.4438 0.1070 ( 5840 PWs) bands (ev): -7.5516 -7.5502 -6.9151 -6.9134 -6.3446 -6.3417 -6.3032 -6.2992 -2.0765 -2.0435 -1.3989 -1.3828 -1.3290 -1.2886 -1.2210 -1.1764 -1.0977 -1.0014 0.0419 0.1459 0.1561 0.2156 0.3079 0.3253 0.4049 0.4664 0.5241 0.5621 0.5929 0.6176 1.5006 1.5057 2.1432 2.1674 2.4362 2.4641 3.0131 3.0290 3.1348 3.1411 4.2544 4.3125 4.4278 4.4827 4.7174 4.7869 4.8583 4.9530 5.0795 5.1155 5.2492 5.3456 8.0295 8.0480 8.2898 8.3085 8.5694 8.6076 9.1016 9.2264 9.3306 9.4122 k = 0.4290 0.4562 0.1223 ( 5842 PWs) bands (ev): -7.5466 -7.5450 -6.9092 -6.9073 -6.3579 -6.3547 -6.3046 -6.3001 -2.0781 -2.0414 -1.3995 -1.3833 -1.3351 -1.2897 -1.2262 -1.1739 -1.0869 -0.9822 0.0390 0.1424 0.1613 0.2177 0.3153 0.3321 0.3987 0.4635 0.5208 0.5648 0.6007 0.6274 1.4991 1.5048 2.1081 2.1364 2.4391 2.4700 3.0021 3.0206 3.1527 3.1601 4.2214 4.2801 4.3986 4.4492 4.7003 4.7731 4.8491 4.9456 5.0825 5.1209 5.2764 5.3768 8.0493 8.0694 8.3156 8.3359 8.5827 8.6221 9.1188 9.2369 9.3798 9.4687 k = 0.4201 0.4687 0.1376 ( 5832 PWs) bands (ev): -7.5411 -7.5393 -6.9025 -6.9004 -6.3725 -6.3689 -6.3062 -6.3011 -2.0794 -2.0394 -1.4000 -1.3845 -1.3406 -1.2900 -1.2313 -1.1712 -1.0754 -0.9632 0.0369 0.1361 0.1693 0.2203 0.3216 0.3384 0.3942 0.4599 0.5181 0.5676 0.6086 0.6378 1.4971 1.5034 2.0722 2.1048 2.4428 2.4764 2.9892 3.0105 3.1697 3.1784 4.1901 4.2495 4.3689 4.4144 4.6761 4.7506 4.8405 4.9303 5.0904 5.1347 5.3052 5.4081 8.0698 8.0917 8.3404 8.3585 8.6102 8.6466 9.1375 9.2479 9.4370 9.5303 k = 0.4112 0.4811 0.1528 ( 5840 PWs) bands (ev): -7.5352 -7.5333 -6.8951 -6.8928 -6.3881 -6.3842 -6.3079 -6.3023 -2.0805 -2.0375 -1.4006 -1.3861 -1.3458 -1.2892 -1.2362 -1.1685 -1.0635 -0.9448 0.0357 0.1298 0.1773 0.2236 0.3253 0.3447 0.3920 0.4560 0.5160 0.5705 0.6163 0.6489 1.4944 1.5015 2.0363 2.0732 2.4477 2.4836 2.9745 2.9987 3.1853 3.1957 4.1609 4.2215 4.3383 4.3785 4.6464 4.7223 4.8316 4.9112 5.1014 5.1538 5.3349 5.4393 8.0911 8.1148 8.3623 8.3766 8.6518 8.6817 9.1572 9.2592 9.5015 9.5968 k = 0.4024 0.4935 0.1681 ( 5832 PWs) bands (ev): -7.5290 -7.5269 -6.8870 -6.8845 -6.4046 -6.4004 -6.3097 -6.3036 -2.0813 -2.0358 -1.4015 -1.3877 -1.3506 -1.2874 -1.2409 -1.1658 -1.0513 -0.9272 0.0352 0.1237 0.1848 0.2275 0.3256 0.3515 0.3923 0.4518 0.5144 0.5732 0.6238 0.6604 1.4909 1.4991 2.0010 2.0422 2.4537 2.4916 2.9579 2.9852 3.1992 3.2114 4.1340 4.1968 4.3058 4.3416 4.6136 4.6918 4.8214 4.8901 5.1150 5.1753 5.3646 5.4697 8.1134 8.1387 8.3784 8.3951 8.7050 8.7266 9.1776 9.2705 9.5727 9.6679 k = 0.3935 0.5060 0.1834 ( 5821 PWs) bands (ev): -7.5226 -7.5204 -6.8783 -6.8755 -6.4218 -6.4174 -6.3116 -6.3051 -2.0819 -2.0343 -1.4027 -1.3889 -1.3552 -1.2848 -1.2453 -1.1631 -1.0390 -0.9107 0.0356 0.1181 0.1915 0.2320 0.3228 0.3584 0.3949 0.4477 0.5135 0.5759 0.6308 0.6724 1.4865 1.4963 1.9667 2.0120 2.4609 2.5004 2.9396 2.9701 3.2108 3.2253 4.1095 4.1758 4.2700 4.3042 4.5804 4.6620 4.8091 4.8677 5.1309 5.1976 5.3937 5.4990 8.1368 8.1633 8.3896 8.4162 8.7658 8.7800 9.1988 9.2819 9.6496 9.7432 k = 0.3846 0.5184 0.1987 ( 5823 PWs) bands (ev): -7.5162 -7.5138 -6.8689 -6.8660 -6.4394 -6.4347 -6.3136 -6.3067 -2.0822 -2.0329 -1.4044 -1.3896 -1.3597 -1.2815 -1.2494 -1.1606 -1.0267 -0.8955 0.0367 0.1129 0.1973 0.2371 0.3184 0.3644 0.3992 0.4441 0.5133 0.5784 0.6374 0.6845 1.4811 1.4929 1.9339 1.9831 2.4694 2.5101 2.9196 2.9536 3.2200 3.2370 4.0865 4.1586 4.2301 4.2668 4.5498 4.6349 4.7949 4.8442 5.1483 5.2200 5.4217 5.5267 8.1610 8.1881 8.4000 8.4388 8.8307 8.8407 9.2208 9.2932 9.7318 9.8222 k = 0.3757 0.5309 0.2140 ( 5825 PWs) bands (ev): -7.5099 -7.5074 -6.8590 -6.8559 -6.4572 -6.4523 -6.3158 -6.3084 -2.0822 -2.0318 -1.4063 -1.3896 -1.3640 -1.2777 -1.2532 -1.1582 -1.0146 -0.8819 0.0385 0.1082 0.2018 0.2425 0.3134 0.3685 0.4051 0.4413 0.5139 0.5808 0.6436 0.6964 1.4748 1.4890 1.9028 1.9555 2.4792 2.5208 2.8982 2.9358 3.2268 3.2466 4.0638 4.1444 4.1865 4.2306 4.5237 4.6122 4.7787 4.8197 5.1667 5.2421 5.4480 5.5523 8.1858 8.2129 8.4119 8.4629 8.8966 8.9071 9.2440 9.3047 9.8184 9.9047 k = 0.3669 0.5433 0.2293 ( 5815 PWs) bands (ev): -7.5038 -7.5011 -6.8484 -6.8452 -6.4749 -6.4698 -6.3180 -6.3103 -2.0819 -2.0308 -1.4083 -1.3892 -1.3681 -1.2740 -1.2563 -1.1559 -1.0027 -0.8701 0.0410 0.1041 0.2049 0.2483 0.3085 0.3698 0.4126 0.4396 0.5153 0.5830 0.6494 0.7079 1.4676 1.4847 1.8736 1.9293 2.4903 2.5325 2.8756 2.9173 3.2312 3.2539 4.0383 4.1245 4.1483 4.1981 4.5034 4.5945 4.7611 4.7947 5.1856 5.2637 5.4723 5.5755 8.2105 8.2371 8.4266 8.4887 8.9633 8.9760 9.2685 9.3166 9.9089 9.9900 k = 0.3580 0.5558 0.2445 ( 5825 PWs) bands (ev): -7.4982 -7.4954 -6.8374 -6.8341 -6.4923 -6.4870 -6.3203 -6.3122 -2.0814 -2.0300 -1.4103 -1.3884 -1.3721 -1.2710 -1.2580 -1.1538 -0.9913 -0.8602 0.0439 0.1004 0.2063 0.2544 0.3045 0.3682 0.4212 0.4391 0.5175 0.5850 0.6550 0.7188 1.4597 1.4801 1.8465 1.9047 2.5025 2.5450 2.8521 2.8983 3.2334 3.2593 4.0065 4.0787 4.1357 4.1735 4.4888 4.5822 4.7428 4.7699 5.2046 5.2844 5.4941 5.5957 8.2344 8.2601 8.4450 8.5163 9.0303 9.0445 9.2948 9.3297 10.0025 10.0779 k = 0.3491 0.5682 0.2598 ( 5821 PWs) bands (ev): -7.4931 -7.4902 -6.8260 -6.8225 -6.5090 -6.5035 -6.3227 -6.3143 -2.0807 -2.0293 -1.4121 -1.3873 -1.3759 -1.2701 -1.2572 -1.1518 -0.9803 -0.8524 0.0473 0.0973 0.2058 0.2604 0.3017 0.3642 0.4297 0.4405 0.5205 0.5869 0.6603 0.7288 1.4514 1.4753 1.8214 1.8814 2.5156 2.5581 2.8279 2.8795 3.2339 3.2628 3.9661 4.0250 4.1304 4.1598 4.4793 4.5749 4.7248 4.7465 5.2231 5.3040 5.5132 5.6126 8.2564 8.2818 8.4677 8.5457 9.0966 9.1107 9.3222 9.3453 10.0984 10.1675 k = 0.3402 0.5806 0.2751 ( 5827 PWs) bands (ev): -7.4888 -7.4858 -6.8141 -6.8105 -6.5247 -6.5192 -6.3251 -6.3164 -2.0797 -2.0289 -1.4137 -1.3860 -1.3794 -1.2715 -1.2540 -1.1500 -0.9700 -0.8467 0.0509 0.0948 0.2036 0.2659 0.3002 0.3585 0.4346 0.4470 0.5242 0.5886 0.6654 0.7378 1.4430 1.4704 1.7981 1.8595 2.5293 2.5716 2.8035 2.8612 3.2331 3.2651 3.9183 3.9690 4.1272 4.1559 4.4738 4.5722 4.7083 4.7258 5.2409 5.3221 5.5292 5.6260 8.2757 8.3023 8.4946 8.5765 9.1606 9.1736 9.3472 9.3679 10.1956 10.2583 k = 0.3314 0.5931 0.2904 ( 5831 PWs) bands (ev): -7.4855 -7.4824 -6.8019 -6.7982 -6.5392 -6.5335 -6.3277 -6.3187 -2.0785 -2.0287 -1.4153 -1.3846 -1.3825 -1.2736 -1.2497 -1.1485 -0.9603 -0.8433 0.0547 0.0928 0.2001 0.2702 0.3003 0.3519 0.4360 0.4576 0.5284 0.5901 0.6704 0.7456 1.4348 1.4658 1.7767 1.8387 2.5431 2.5849 2.7793 2.8442 3.2317 3.2665 3.8657 3.9120 4.1259 4.1579 4.4713 4.5729 4.6950 4.7096 5.2574 5.3385 5.5419 5.6357 8.2917 8.3216 8.5253 8.6086 9.2202 9.2332 9.3672 9.4003 10.2926 10.3494 k = 0.3225 0.6055 0.3057 ( 5835 PWs) bands (ev): -7.4834 -7.4803 -6.7894 -6.7856 -6.5521 -6.5464 -6.3302 -6.3210 -2.0772 -2.0287 -1.4169 -1.3852 -1.3829 -1.2759 -1.2452 -1.1471 -0.9515 -0.8421 0.0583 0.0915 0.1958 0.2726 0.3016 0.3453 0.4366 0.4694 0.5331 0.5916 0.6754 0.7521 1.4270 1.4615 1.7569 1.8188 2.5567 2.5972 2.7559 2.8291 3.2302 3.2676 3.8111 3.8550 4.1259 4.1623 4.4707 4.5759 4.6869 4.6998 5.2722 5.3528 5.5511 5.6413 8.3046 8.3397 8.5588 8.6414 9.2738 9.2903 9.3867 9.4375 10.3873 10.4398 k = 0.3136 0.6180 0.3210 ( 5829 PWs) bands (ev): -7.4827 -7.4795 -6.7766 -6.7728 -6.5633 -6.5575 -6.3328 -6.3234 -2.0758 -2.0289 -1.4186 -1.3873 -1.3813 -1.2781 -1.2407 -1.1459 -0.9437 -0.8430 0.0614 0.0908 0.1912 0.2725 0.3036 0.3396 0.4373 0.4815 0.5380 0.5931 0.6802 0.7575 1.4198 1.4578 1.7385 1.7998 2.5692 2.6074 2.7343 2.8166 3.2291 3.2687 3.7564 3.7991 4.1257 4.1670 4.4717 4.5802 4.6850 4.6982 5.2850 5.3645 5.5568 5.6430 8.3150 8.3564 8.5942 8.6746 9.3220 9.3441 9.4077 9.4760 10.4762 10.5282 k = 0.3136 0.6180 0.3210 ( 5829 PWs) bands (ev): -7.4827 -7.4795 -6.7766 -6.7728 -6.5633 -6.5575 -6.3328 -6.3234 -2.0758 -2.0289 -1.4186 -1.3873 -1.3813 -1.2781 -1.2407 -1.1459 -0.9437 -0.8430 0.0614 0.0908 0.1912 0.2725 0.3036 0.3396 0.4373 0.4815 0.5380 0.5931 0.6802 0.7575 1.4198 1.4578 1.7385 1.7998 2.5692 2.6074 2.7343 2.8166 3.2291 3.2687 3.7564 3.7991 4.1257 4.1670 4.4717 4.5802 4.6850 4.6982 5.2850 5.3645 5.5568 5.6430 8.3150 8.3564 8.5942 8.6746 9.3220 9.3441 9.4077 9.4760 10.4762 10.5282 k = 0.2940 0.6124 0.3278 ( 5822 PWs) bands (ev): -7.4833 -7.4801 -6.7705 -6.7667 -6.5671 -6.5613 -6.3341 -6.3247 -2.0751 -2.0291 -1.4194 -1.3889 -1.3796 -1.2793 -1.2384 -1.1454 -0.9406 -0.8445 0.0627 0.0908 0.1890 0.2711 0.3047 0.3376 0.4378 0.4870 0.5405 0.5938 0.6817 0.7594 1.4173 1.4569 1.7315 1.7920 2.5723 2.6089 2.7259 2.8115 3.2287 3.2690 3.7311 3.7733 4.1275 4.1712 4.4733 4.5827 4.6871 4.7015 5.2870 5.3664 5.5600 5.6438 8.3194 8.3638 8.6105 8.6892 9.3365 9.3588 9.4295 9.4994 10.5127 10.5659 k = 0.2744 0.6068 0.3347 ( 5825 PWs) bands (ev): -7.4849 -7.4818 -6.7641 -6.7603 -6.5693 -6.5634 -6.3359 -6.3265 -2.0744 -2.0296 -1.4202 -1.3913 -1.3769 -1.2810 -1.2355 -1.1450 -0.9381 -0.8470 0.0640 0.0910 0.1864 0.2681 0.3063 0.3361 0.4386 0.4927 0.5433 0.5948 0.6821 0.7608 1.4161 1.4574 1.7261 1.7851 2.5706 2.6051 2.7195 2.8063 3.2278 3.2685 3.7051 3.7465 4.1336 4.1793 4.4764 4.5863 4.6912 4.7081 5.2836 5.3632 5.5650 5.6454 8.3238 8.3715 8.6275 8.7036 9.3421 9.3640 9.4678 9.5326 10.5470 10.6008 k = 0.2548 0.6012 0.3415 ( 5829 PWs) bands (ev): -7.4874 -7.4844 -6.7578 -6.7541 -6.5696 -6.5637 -6.3382 -6.3287 -2.0736 -2.0303 -1.4210 -1.3938 -1.3741 -1.2830 -1.2321 -1.1446 -0.9360 -0.8505 0.0655 0.0913 0.1833 0.2636 0.3083 0.3351 0.4398 0.4982 0.5466 0.5960 0.6818 0.7617 1.4165 1.4596 1.7221 1.7789 2.5640 2.5960 2.7155 2.8007 3.2256 3.2666 3.6804 3.7206 4.1437 4.1906 4.4814 4.5914 4.6965 4.7171 5.2765 5.3560 5.5699 5.6461 8.3276 8.3786 8.6458 8.7185 9.3453 9.3689 9.5111 9.5716 10.5796 10.6325 k = 0.2352 0.5957 0.3483 ( 5823 PWs) bands (ev): -7.4906 -7.4877 -6.7521 -6.7484 -6.5679 -6.5619 -6.3409 -6.3314 -2.0727 -2.0312 -1.4217 -1.3963 -1.3710 -1.2854 -1.2283 -1.1444 -0.9342 -0.8549 0.0672 0.0919 0.1797 0.2577 0.3107 0.3346 0.4412 0.5029 0.5506 0.5971 0.6814 0.7621 1.4188 1.4634 1.7192 1.7733 2.5528 2.5828 2.7127 2.7944 3.2213 3.2629 3.6589 3.6976 4.1570 4.2041 4.4881 4.5977 4.7032 4.7284 5.2669 5.3459 5.5731 5.6446 8.3305 8.3843 8.6655 8.7345 9.3509 9.3765 9.5555 9.6134 10.6112 10.6611 k = 0.2156 0.5901 0.3552 ( 5825 PWs) bands (ev): -7.4942 -7.4915 -6.7473 -6.7438 -6.5641 -6.5580 -6.3442 -6.3347 -2.0718 -2.0323 -1.4223 -1.3988 -1.3679 -1.2880 -1.2242 -1.1442 -0.9328 -0.8600 0.0691 0.0927 0.1757 0.2507 0.3132 0.3345 0.4430 0.5064 0.5552 0.5982 0.6813 0.7619 1.4233 1.4689 1.7171 1.7681 2.5378 2.5671 2.7098 2.7867 3.2148 3.2571 3.6420 3.6789 4.1726 4.2191 4.4961 4.6045 4.7118 4.7419 5.2560 5.3336 5.5732 5.6398 8.3323 8.3879 8.6867 8.7517 9.3610 9.3879 9.5992 9.6565 10.6425 10.6871 k = 0.1960 0.5845 0.3620 ( 5830 PWs) bands (ev): -7.4981 -7.4955 -6.7435 -6.7402 -6.5582 -6.5520 -6.3480 -6.3386 -2.0707 -2.0337 -1.4228 -1.4011 -1.3647 -1.2909 -1.2197 -1.1442 -0.9316 -0.8658 0.0712 0.0938 0.1713 0.2429 0.3158 0.3347 0.4451 0.5087 0.5603 0.5989 0.6823 0.7613 1.4299 1.4759 1.7155 1.7630 2.5203 2.5500 2.7057 2.7771 3.2062 3.2493 3.6301 3.6652 4.1896 4.2348 4.5049 4.6105 4.7233 4.7582 5.2446 5.3199 5.5694 5.6310 8.3331 8.3893 8.7091 8.7702 9.3763 9.4036 9.6417 9.7000 10.6736 10.7107 k = 0.1764 0.5790 0.3689 ( 5832 PWs) bands (ev): -7.5021 -7.4997 -6.7408 -6.7377 -6.5504 -6.5441 -6.3524 -6.3431 -2.0696 -2.0352 -1.4231 -1.4034 -1.3615 -1.2940 -1.2150 -1.1445 -0.9307 -0.8719 0.0735 0.0952 0.1666 0.2346 0.3183 0.3349 0.4475 0.5096 0.5654 0.5992 0.6846 0.7603 1.4385 1.4842 1.7142 1.7580 2.5016 2.5322 2.6998 2.7651 3.1967 3.2401 3.6232 3.6566 4.2072 4.2504 4.5139 4.6148 4.7386 4.7776 5.2334 5.3056 5.5611 5.6179 8.3331 8.3883 8.7324 8.7894 9.3966 9.4236 9.6825 9.7436 10.7041 10.7325 k = 0.1568 0.5734 0.3757 ( 5842 PWs) bands (ev): -7.5060 -7.5038 -6.7391 -6.7363 -6.5410 -6.5346 -6.3574 -6.3482 -2.0683 -2.0369 -1.4233 -1.4056 -1.3582 -1.2974 -1.2101 -1.1450 -0.9299 -0.8783 0.0760 0.0969 0.1618 0.2258 0.3208 0.3353 0.4503 0.5094 0.5703 0.5990 0.6884 0.7589 1.4490 1.4937 1.7129 1.7529 2.4828 2.5142 2.6921 2.7507 3.1873 3.2300 3.6205 3.6522 4.2246 4.2654 4.5227 4.6171 4.7579 4.8002 5.2230 5.2912 5.5483 5.6004 8.3327 8.3853 8.7559 8.8086 9.4215 9.4476 9.7215 9.7866 10.7317 10.7540 k = 0.1372 0.5678 0.3826 ( 5841 PWs) bands (ev): -7.5097 -7.5078 -6.7382 -6.7357 -6.5305 -6.5240 -6.3629 -6.3539 -2.0669 -2.0387 -1.4234 -1.4077 -1.3548 -1.3009 -1.2050 -1.1460 -0.9291 -0.8847 0.0786 0.0988 0.1572 0.2167 0.3232 0.3356 0.4534 0.5082 0.5746 0.5985 0.6936 0.7573 1.4609 1.5039 1.7115 1.7475 2.4649 2.4963 2.6829 2.7342 3.1790 3.2197 3.6212 3.6509 4.2411 4.2792 4.5313 4.6173 4.7810 4.8256 5.2139 5.2772 5.5312 5.5787 8.3321 8.3809 8.7789 8.8270 9.4498 9.4746 9.7589 9.8286 10.7521 10.7785 k = 0.1176 0.5622 0.3894 ( 5832 PWs) bands (ev): -7.5131 -7.5114 -6.7378 -6.7357 -6.5192 -6.5127 -6.3689 -6.3602 -2.0653 -2.0407 -1.4233 -1.4097 -1.3513 -1.3046 -1.1997 -1.1475 -0.9284 -0.8909 0.0814 0.1009 0.1529 0.2075 0.3254 0.3359 0.4568 0.5060 0.5784 0.5978 0.6998 0.7555 1.4740 1.5144 1.7099 1.7419 2.4485 2.4790 2.6729 2.7166 3.1725 3.2099 3.6244 3.6515 4.2565 4.2911 4.5395 4.6160 4.8069 4.8527 5.2069 5.2645 5.5103 5.5534 8.3318 8.3755 8.8009 8.8437 9.4800 9.5034 9.7948 9.8686 10.7646 10.8051 k = 0.0980 0.5567 0.3963 ( 5832 PWs) bands (ev): -7.5161 -7.5147 -6.7379 -6.7361 -6.5076 -6.5011 -6.3753 -6.3669 -2.0637 -2.0428 -1.4230 -1.4116 -1.3477 -1.3085 -1.1943 -1.1494 -0.9275 -0.8969 0.0843 0.1029 0.1495 0.1983 0.3275 0.3360 0.4605 0.5031 0.5815 0.5970 0.7066 0.7534 1.4877 1.5246 1.7081 1.7360 2.4342 2.4627 2.6629 2.6987 3.1680 3.2008 3.6291 3.6531 4.2702 4.3008 4.5477 4.6135 4.8345 4.8797 5.2028 5.2536 5.4867 5.5251 8.3320 8.3697 8.8211 8.8581 9.5105 9.5323 9.8295 9.9053 10.7722 10.8296 k = 0.0784 0.5511 0.4031 ( 5837 PWs) bands (ev): -7.5187 -7.5175 -6.7381 -6.7366 -6.4962 -6.4900 -6.3819 -6.3741 -2.0619 -2.0449 -1.4225 -1.4134 -1.3440 -1.3124 -1.1889 -1.1520 -0.9265 -0.9024 0.0873 0.1044 0.1474 0.1893 0.3294 0.3360 0.4644 0.4995 0.5842 0.5961 0.7135 0.7511 1.5015 1.5338 1.7063 1.7299 2.4227 2.4477 2.6537 2.6818 3.1655 3.1927 3.6346 3.6548 4.2822 4.3078 4.5560 4.6101 4.8623 4.9046 5.2025 5.2454 5.4617 5.4949 8.3329 8.3637 8.8391 8.8695 9.5394 9.5591 9.8631 9.9367 10.7770 10.8486 k = 0.0588 0.5455 0.4100 ( 5835 PWs) bands (ev): -7.5207 -7.5198 -6.7384 -6.7373 -6.4854 -6.4797 -6.3882 -6.3813 -2.0600 -2.0471 -1.4219 -1.4150 -1.3403 -1.3164 -1.1834 -1.1551 -0.9252 -0.9074 0.0904 0.1049 0.1471 0.1806 0.3310 0.3359 0.4686 0.4955 0.5864 0.5952 0.7203 0.7484 1.5146 1.5410 1.7050 1.7237 2.4142 2.4344 2.6462 2.6669 3.1647 3.1856 3.6402 3.6561 4.2923 4.3123 4.5645 4.6060 4.8885 4.9248 5.2064 5.2402 5.4374 5.4647 8.3344 8.3580 8.8545 8.8778 9.5650 9.5817 9.8953 9.9606 10.7820 10.8584 k = 0.0392 0.5399 0.4168 ( 5835 PWs) bands (ev): -7.5221 -7.5215 -6.7386 -6.7379 -6.4760 -6.4714 -6.3935 -6.3881 -2.0580 -2.0494 -1.4212 -1.4166 -1.3364 -1.3205 -1.1779 -1.1588 -0.9235 -0.9118 0.0936 0.1042 0.1489 0.1724 0.3324 0.3356 0.4730 0.4912 0.5884 0.5942 0.7265 0.7452 1.5265 1.5453 1.7046 1.7178 2.4091 2.4234 2.6412 2.6548 3.1654 3.1796 3.6455 3.6563 4.3005 4.3142 4.5729 4.6010 4.9113 4.9381 5.2142 5.2376 5.4168 5.4367 8.3367 8.3526 8.8668 8.8826 9.5857 9.5980 9.9250 9.9746 10.7903 10.8561 k = 0.0196 0.5344 0.4236 ( 5843 PWs) bands (ev): -7.5229 -7.5226 -6.7387 -6.7383 -6.4689 -6.4662 -6.3968 -6.3937 -2.0560 -2.0516 -1.4202 -1.4179 -1.3325 -1.3245 -1.1727 -1.1630 -0.9214 -0.9156 0.0967 0.1023 0.1527 0.1648 0.3335 0.3351 0.4775 0.4866 0.5901 0.5930 0.7322 0.7415 1.5362 1.5460 1.7057 1.7126 2.4076 2.4150 2.6393 2.6460 3.1674 3.1745 3.6499 3.6555 4.3068 4.3138 4.5810 4.5952 4.9289 4.9433 5.2236 5.2357 5.4039 5.4147 8.3397 8.3478 8.8760 8.8839 9.6003 9.6068 9.9504 9.9773 10.8040 10.8423 k = 0.0000 0.5288 0.4305 ( 5844 PWs) bands (ev): -7.5231 -7.5231 -6.7386 -6.7386 -6.4653 -6.4653 -6.3969 -6.3969 -2.0538 -2.0538 -1.4192 -1.4192 -1.3285 -1.3285 -1.1677 -1.1677 -0.9188 -0.9188 0.0997 0.0997 0.1582 0.1582 0.3345 0.3345 0.4820 0.4820 0.5917 0.5917 0.7372 0.7372 1.5429 1.5429 1.7084 1.7084 2.4096 2.4096 2.6408 2.6408 3.1704 3.1704 3.6533 3.6533 4.3113 4.3113 4.5885 4.5885 4.9400 4.9400 5.2315 5.2315 5.4028 5.4028 8.3434 8.3434 8.8817 8.8817 9.6075 9.6075 9.9687 9.9687 10.8227 10.8227 k = 0.0000 0.5288 0.4305 ( 5844 PWs) bands (ev): -7.5231 -7.5231 -6.7386 -6.7386 -6.4653 -6.4653 -6.3969 -6.3969 -2.0538 -2.0538 -1.4192 -1.4192 -1.3285 -1.3285 -1.1677 -1.1677 -0.9188 -0.9188 0.0997 0.0997 0.1582 0.1582 0.3345 0.3345 0.4820 0.4820 0.5917 0.5917 0.7372 0.7372 1.5429 1.5429 1.7084 1.7084 2.4096 2.4096 2.6408 2.6408 3.1704 3.1704 3.6533 3.6533 4.3113 4.3113 4.5885 4.5885 4.9400 4.9400 5.2315 5.2315 5.4028 5.4028 8.3434 8.3434 8.8817 8.8817 9.6075 9.6075 9.9687 9.9687 10.8227 10.8227 k = 0.0089 0.5163 0.4459 ( 5838 PWs) bands (ev): -7.5229 -7.5226 -6.7385 -6.7382 -6.4655 -6.4652 -6.3976 -6.3972 -2.0556 -2.0512 -1.4208 -1.4174 -1.3305 -1.3265 -1.1727 -1.1626 -0.9249 -0.9133 0.0979 0.1015 0.1545 0.1623 0.3321 0.3366 0.4769 0.4870 0.5896 0.5939 0.7279 0.7443 1.5314 1.5470 1.6954 1.7108 2.4099 2.4195 2.6405 2.6470 3.1664 3.1781 3.6481 3.6563 4.3041 4.3195 4.5881 4.5945 4.9384 4.9456 5.2281 5.2373 5.3972 5.4072 8.3369 8.3447 8.8749 8.8838 9.5971 9.6101 9.9674 9.9754 10.8158 10.8249 k = 0.0179 0.5038 0.4612 ( 5832 PWs) bands (ev): -7.5221 -7.5213 -6.7380 -6.7374 -6.4659 -6.4654 -6.3992 -6.3985 -2.0566 -2.0477 -1.4223 -1.4156 -1.3322 -1.3242 -1.1776 -1.1577 -0.9316 -0.9085 0.0961 0.1032 0.1512 0.1668 0.3294 0.3384 0.4717 0.4917 0.5877 0.5964 0.7166 0.7490 1.5125 1.5432 1.6730 1.7037 2.4196 2.4374 2.6469 2.6599 3.1660 3.1888 3.6409 3.6570 4.2988 4.3282 4.5936 4.6057 4.9406 4.9550 5.2275 5.2456 5.3903 5.4105 8.3253 8.3405 8.8635 8.8809 9.5796 9.6043 9.9717 9.9871 10.8052 10.8226 k = 0.0268 0.4912 0.4766 ( 5832 PWs) bands (ev): -7.5205 -7.5193 -6.7371 -6.7361 -6.4665 -6.4657 -6.4017 -6.4007 -2.0567 -2.0435 -1.4237 -1.4136 -1.3337 -1.3218 -1.1824 -1.1529 -0.9387 -0.9044 0.0943 0.1048 0.1484 0.1716 0.3266 0.3400 0.4665 0.4961 0.5858 0.5992 0.7038 0.7512 1.4861 1.5302 1.6448 1.6898 2.4348 2.4585 2.6621 2.6813 3.1690 3.2019 3.6326 3.6560 4.2962 4.3373 4.6047 4.6213 4.9459 4.9674 5.2298 5.2564 5.3820 5.4134 8.3095 8.3312 8.8476 8.8730 9.5552 9.5897 9.9814 10.0029 10.7929 10.8170 k = 0.0357 0.4787 0.4920 ( 5836 PWs) bands (ev): -7.5182 -7.5167 -6.7357 -6.7345 -6.4673 -6.4663 -6.4052 -6.4039 -2.0560 -2.0385 -1.4250 -1.4116 -1.3350 -1.3192 -1.1870 -1.1484 -0.9461 -0.9011 0.0926 0.1063 0.1460 0.1766 0.3235 0.3412 0.4613 0.5000 0.5839 0.6023 0.6898 0.7511 1.4527 1.5062 1.6150 1.6716 2.4510 2.4776 2.6885 2.7130 3.1749 3.2163 3.6244 3.6539 4.2973 4.3473 4.6206 4.6407 4.9532 4.9816 5.2356 5.2695 5.3724 5.4163 8.2900 8.3173 8.8274 8.8598 9.5243 9.5663 9.9956 10.0220 10.7810 10.8098 k = 0.0446 0.4662 0.5074 ( 5836 PWs) bands (ev): -7.5152 -7.5134 -6.7339 -6.7324 -6.4683 -6.4670 -6.4095 -6.4079 -2.0545 -2.0328 -1.4261 -1.4095 -1.3360 -1.3165 -1.1914 -1.1444 -0.9537 -0.8986 0.0909 0.1078 0.1440 0.1818 0.3203 0.3420 0.4563 0.5034 0.5818 0.6057 0.6753 0.7487 1.4131 1.4708 1.5867 1.6509 2.4646 2.4917 2.7268 2.7554 3.1829 3.2311 3.6175 3.6520 4.3025 4.3585 4.6403 4.6635 4.9614 4.9962 5.2454 5.2846 5.3618 5.4204 8.2680 8.2995 8.8029 8.8415 9.4870 9.5342 10.0137 10.0438 10.7712 10.8024 k = 0.0536 0.4537 0.5227 ( 5828 PWs) bands (ev): -7.5116 -7.5094 -6.7317 -6.7299 -6.4695 -6.4680 -6.4147 -6.4128 -2.0522 -2.0264 -1.4271 -1.4073 -1.3370 -1.3138 -1.1954 -1.1410 -0.9613 -0.8967 0.0894 0.1093 0.1425 0.1871 0.3169 0.3424 0.4515 0.5062 0.5794 0.6090 0.6609 0.7443 1.3691 1.4265 1.5601 1.6282 2.4739 2.5008 2.7752 2.8069 3.1924 3.2454 3.6137 3.6515 4.3118 4.3716 4.6628 4.6892 4.9694 5.0099 5.2591 5.3005 5.3508 5.4272 8.2441 8.2788 8.7740 8.8181 9.4431 9.4937 10.0349 10.0676 10.7638 10.7961 k = 0.0625 0.4412 0.5381 ( 5828 PWs) bands (ev): -7.5074 -7.5049 -6.7291 -6.7270 -6.4709 -6.4692 -6.4206 -6.4184 -2.0491 -2.0194 -1.4280 -1.4052 -1.3377 -1.3111 -1.1992 -1.1385 -0.9686 -0.8955 0.0881 0.1107 0.1413 0.1923 0.3132 0.3423 0.4470 0.5082 0.5766 0.6117 0.6478 0.7383 1.3220 1.3765 1.5335 1.6038 2.4790 2.5059 2.8309 2.8650 3.2028 3.2586 3.6143 3.6539 4.3253 4.3866 4.6870 4.7173 4.9765 5.0218 5.2755 5.3144 5.3423 5.4386 8.2194 8.2560 8.7410 8.7899 9.3928 9.4454 10.0587 10.0930 10.7587 10.7915 k = 0.0714 0.4287 0.5535 ( 5826 PWs) bands (ev): -7.5026 -7.4997 -6.7262 -6.7238 -6.4725 -6.4706 -6.4272 -6.4248 -2.0453 -2.0119 -1.4287 -1.4030 -1.3382 -1.3084 -1.2027 -1.1369 -0.9755 -0.8949 0.0870 0.1122 0.1406 0.1974 0.3094 0.3418 0.4427 0.5095 0.5731 0.6117 0.6385 0.7311 1.2735 1.3238 1.5058 1.5773 2.4802 2.5079 2.8908 2.9271 3.2140 3.2712 3.6202 3.6603 4.3425 4.4035 4.7119 4.7471 4.9824 5.0315 5.2902 5.3171 5.3483 5.4561 8.1946 8.2321 8.7039 8.7572 9.3363 9.3898 10.0844 10.1197 10.7546 10.7889 k = 0.0804 0.4161 0.5689 ( 5834 PWs) bands (ev): -7.4973 -7.4941 -6.7229 -6.7203 -6.4743 -6.4723 -6.4345 -6.4319 -2.0408 -2.0039 -1.4292 -1.4008 -1.3386 -1.3058 -1.2058 -1.1366 -0.9818 -0.8949 0.0861 0.1138 0.1403 0.2022 0.3055 0.3407 0.4387 0.5098 0.5687 0.6063 0.6359 0.7231 1.2248 1.2704 1.4764 1.5489 2.4780 2.5065 2.9527 2.9911 3.2262 3.2840 3.6319 3.6715 4.3631 4.4220 4.7368 4.7775 4.9874 5.0392 5.2947 5.3153 5.3704 5.4797 8.1704 8.2079 8.6630 8.7205 9.2743 9.3280 10.1119 10.1472 10.7508 10.7879 k = 0.0893 0.4036 0.5842 ( 5834 PWs) bands (ev): -7.4914 -7.4879 -6.7193 -6.7164 -6.4763 -6.4742 -6.4422 -6.4395 -2.0356 -1.9954 -1.4297 -1.3986 -1.3389 -1.3034 -1.2085 -1.1376 -0.9873 -0.8952 0.0853 0.1154 0.1404 0.2066 0.3013 0.3392 0.4350 0.5091 0.5634 0.5977 0.6380 0.7150 1.1767 1.2177 1.4454 1.5188 2.4723 2.5016 3.0145 3.0555 3.2399 3.2988 3.6491 3.6879 4.3864 4.4416 4.7608 4.8075 4.9919 5.0454 5.2875 5.3196 5.4003 5.5082 8.1474 8.1841 8.6188 8.6802 9.2074 9.2610 10.1408 10.1755 10.7468 10.7878 k = 0.0982 0.3911 0.5996 ( 5826 PWs) bands (ev): -7.4851 -7.4814 -6.7155 -6.7124 -6.4785 -6.4765 -6.4503 -6.4476 -2.0298 -1.9866 -1.4299 -1.3964 -1.3391 -1.3012 -1.2108 -1.1399 -0.9921 -0.8957 0.0848 0.1171 0.1411 0.2106 0.2970 0.3373 0.4316 0.5072 0.5574 0.5887 0.6414 0.7075 1.1297 1.1668 1.4129 1.4872 2.4632 2.4928 3.0747 3.1190 3.2558 3.3172 3.6709 3.7094 4.4119 4.4615 4.7826 4.8359 4.9965 5.0506 5.2791 5.3250 5.4344 5.5400 8.1260 8.1613 8.5715 8.6367 9.1364 9.1899 10.1708 10.2043 10.7427 10.7878 k = 0.1071 0.3786 0.6150 ( 5830 PWs) bands (ev): -7.4785 -7.4745 -6.7114 -6.7081 -6.4811 -6.4791 -6.4586 -6.4559 -2.0234 -1.9775 -1.4301 -1.3944 -1.3392 -1.2994 -1.2127 -1.1435 -0.9962 -0.8963 0.0844 0.1189 0.1422 0.2139 0.2925 0.3350 0.4284 0.5038 0.5515 0.5801 0.6440 0.7017 1.0842 1.1190 1.3791 1.4545 2.4502 2.4799 3.1321 3.1806 3.2745 3.3408 3.6964 3.7354 4.4388 4.4806 4.8014 4.8618 5.0014 5.0552 5.2736 5.3317 5.4707 5.5736 8.1066 8.1401 8.5216 8.5904 9.0622 9.1157 10.2015 10.2332 10.7386 10.7879 k = 0.1161 0.3661 0.6304 ( 5826 PWs) bands (ev): -7.4715 -7.4672 -6.7072 -6.7037 -6.4841 -6.4822 -6.4669 -6.4642 -2.0166 -1.9683 -1.4302 -1.3924 -1.3393 -1.2980 -1.2142 -1.1480 -0.9998 -0.8968 0.0842 0.1207 0.1441 0.2165 0.2880 0.3325 0.4254 0.4989 0.5461 0.5716 0.6444 0.6991 1.0399 1.0753 1.3446 1.4212 2.4334 2.4632 3.1861 3.2399 3.2967 3.3700 3.7247 3.7652 4.4663 4.4977 4.8162 4.8855 5.0062 5.0596 5.2732 5.3410 5.5076 5.6078 8.0892 8.1206 8.4698 8.5418 8.9858 9.0395 10.2326 10.2620 10.7349 10.7882 k = 0.1250 0.3536 0.6457 ( 5824 PWs) bands (ev): -7.4643 -7.4598 -6.7028 -6.6992 -6.4882 -6.4857 -6.4749 -6.4719 -2.0093 -1.9590 -1.4301 -1.3905 -1.3394 -1.2971 -1.2154 -1.1531 -1.0033 -0.8970 0.0840 0.1225 0.1466 0.2182 0.2835 0.3298 0.4224 0.4926 0.5416 0.5628 0.6416 0.7005 0.9971 1.0367 1.3096 1.3878 2.4128 2.4433 3.2370 3.2961 3.3228 3.4045 3.7547 3.7976 4.4930 4.5116 4.8268 4.9080 5.0095 5.0643 5.2791 5.3541 5.5442 5.6421 8.0739 8.1030 8.4166 8.4915 8.9082 8.9623 10.2637 10.2905 10.7321 10.7891 k = 0.1339 0.3411 0.6611 ( 5826 PWs) bands (ev): -7.4569 -7.4523 -6.6984 -6.6946 -6.4940 -6.4898 -6.4825 -6.4781 -2.0018 -1.9498 -1.4300 -1.3887 -1.3395 -1.2969 -1.2162 -1.1584 -1.0068 -0.8967 0.0840 0.1243 0.1499 0.2190 0.2791 0.3272 0.4194 0.4852 0.5379 0.5537 0.6362 0.7054 0.9561 1.0032 1.2746 1.3547 2.3889 2.4209 3.2855 3.3454 3.3566 3.4427 3.7853 3.8315 4.5165 4.5217 4.8342 4.9308 5.0107 5.0699 5.2911 5.3714 5.5797 5.6761 8.0606 8.0874 8.3628 8.4401 8.8303 8.8848 10.2942 10.3183 10.7308 10.7910 k = 0.1429 0.3285 0.6765 ( 5830 PWs) bands (ev): -7.4494 -7.4447 -6.6939 -6.6901 -6.5013 -6.4958 -6.4884 -6.4829 -1.9940 -1.9407 -1.4298 -1.3871 -1.3397 -1.2975 -1.2168 -1.1634 -1.0106 -0.8960 0.0840 0.1260 0.1538 0.2189 0.2749 0.3249 0.4163 0.4769 0.5346 0.5442 0.6294 0.7127 0.9176 0.9746 1.2401 1.3222 2.3623 2.3966 3.3326 3.3812 3.4044 3.4833 3.8153 3.8657 4.5232 4.5381 4.8408 4.9542 5.0113 5.0764 5.3078 5.3924 5.6137 5.7095 8.0491 8.0736 8.3092 8.3882 8.7531 8.8079 10.3236 10.3455 10.7317 10.7945 k = 0.1518 0.3160 0.6919 ( 5826 PWs) bands (ev): -7.4420 -7.4371 -6.6895 -6.6857 -6.5091 -6.5035 -6.4925 -6.4870 -1.9860 -1.9319 -1.4296 -1.3855 -1.3401 -1.2988 -1.2173 -1.1678 -1.0149 -0.8947 0.0841 0.1276 0.1584 0.2178 0.2711 0.3228 0.4129 0.4680 0.5305 0.5354 0.6224 0.7214 0.8821 0.9506 1.2065 1.2909 2.3338 2.3714 3.3787 3.4165 3.4530 3.5248 3.8438 3.8990 4.5197 4.5503 4.8500 4.9751 5.0170 5.0836 5.3272 5.4161 5.6459 5.7423 8.0389 8.0613 8.2567 8.3366 8.6776 8.7323 10.3510 10.3719 10.7353 10.7998 k = 0.1607 0.3035 0.7072 ( 5828 PWs) bands (ev): -7.4347 -7.4297 -6.6853 -6.6814 -6.5169 -6.5114 -6.4960 -6.4907 -1.9780 -1.9235 -1.4293 -1.3840 -1.3405 -1.3011 -1.2176 -1.1711 -1.0197 -0.8929 0.0842 0.1291 0.1632 0.2160 0.2678 0.3212 0.4092 0.4584 0.5217 0.5308 0.6158 0.7310 0.8502 0.9306 1.1741 1.2610 2.3044 2.3458 3.4239 3.4534 3.5002 3.5662 3.8698 3.9305 4.5090 4.5526 4.8648 4.9864 5.0364 5.0920 5.3469 5.4410 5.6761 5.7745 8.0294 8.0501 8.2065 8.2864 8.6046 8.6588 10.3757 10.3974 10.7422 10.8074 k = 0.1696 0.2910 0.7226 ( 5838 PWs) bands (ev): -7.4277 -7.4226 -6.6813 -6.6774 -6.5244 -6.5190 -6.4993 -6.4942 -1.9701 -1.9156 -1.4290 -1.3826 -1.3412 -1.3041 -1.2177 -1.1733 -1.0249 -0.8907 0.0846 0.1305 0.1678 0.2139 0.2650 0.3202 0.4051 0.4484 0.5111 0.5280 0.6102 0.7408 0.8221 0.9142 1.1434 1.2328 2.2750 2.3206 3.4675 3.4917 3.5461 3.6073 3.8927 3.9595 4.4911 4.5438 4.8860 4.9918 5.0667 5.1023 5.3651 5.4650 5.7045 5.8060 8.0192 8.0396 8.1602 8.2388 8.5351 8.5881 10.3974 10.4214 10.7528 10.8174 k = 0.1786 0.2785 0.7380 ( 5834 PWs) bands (ev): -7.4210 -7.4158 -6.6776 -6.6738 -6.5314 -6.5260 -6.5026 -6.4977 -1.9624 -1.9083 -1.4287 -1.3812 -1.3421 -1.3078 -1.2175 -1.1745 -1.0305 -0.8883 0.0850 0.1317 0.1716 0.2124 0.2627 0.3198 0.4006 0.4379 0.5001 0.5251 0.6061 0.7500 0.7984 0.9009 1.1147 1.2067 2.2464 2.2962 3.5084 3.5308 3.5909 3.6476 3.9123 3.9856 4.4666 4.5248 4.9120 4.9987 5.0967 5.1192 5.3805 5.4864 5.7313 5.8366 8.0066 8.0287 8.1199 8.1957 8.4698 8.5210 10.4161 10.4434 10.7673 10.8297 k = 0.1875 0.2660 0.7534 ( 5838 PWs) bands (ev): -7.4147 -7.4095 -6.6742 -6.6706 -6.5376 -6.5322 -6.5057 -6.5010 -1.9551 -1.9016 -1.4284 -1.3798 -1.3433 -1.3119 -1.2171 -1.1748 -1.0362 -0.8857 0.0856 0.1328 0.1738 0.2125 0.2610 0.3201 0.3958 0.4272 0.4892 0.5221 0.6036 0.7558 0.7815 0.8902 1.0885 1.1829 2.2193 2.2734 3.5459 3.5696 3.6344 3.6870 3.9288 4.0090 4.4361 4.4976 4.9383 5.0117 5.1145 5.1519 5.3921 5.5034 5.7568 5.8658 7.9896 8.0158 8.0882 8.1589 8.4097 8.4583 10.4318 10.4627 10.7854 10.8443 k = 0.1964 0.2534 0.7687 ( 5844 PWs) bands (ev): -7.4090 -7.4038 -6.6713 -6.6679 -6.5430 -6.5375 -6.5087 -6.5043 -1.9483 -1.8958 -1.4282 -1.3783 -1.3449 -1.3161 -1.2164 -1.1744 -1.0419 -0.8832 0.0864 0.1336 0.1738 0.2145 0.2597 0.3212 0.3909 0.4164 0.4788 0.5191 0.6028 0.7502 0.7789 0.8817 1.0651 1.1616 2.1944 2.2525 3.5802 3.6065 3.6761 3.7249 3.9433 4.0305 4.4006 4.4643 4.9593 5.0338 5.1278 5.1912 5.3995 5.5148 5.7808 5.8929 7.9683 7.9987 8.0672 8.1304 8.3554 8.4010 10.4447 10.4789 10.8061 10.8609 k = 0.2054 0.2409 0.7841 ( 5846 PWs) bands (ev): -7.4039 -7.3988 -6.6688 -6.6657 -6.5474 -6.5418 -6.5115 -6.5074 -1.9421 -1.8908 -1.4280 -1.3766 -1.3470 -1.3201 -1.2155 -1.1735 -1.0473 -0.8809 0.0874 0.1340 0.1722 0.2183 0.2590 0.3229 0.3859 0.4057 0.4691 0.5160 0.6034 0.7380 0.7851 0.8750 1.0448 1.1430 2.1724 2.2341 3.6111 3.6398 3.7149 3.7599 3.9578 4.0510 4.3611 4.4267 4.9738 5.0632 5.1413 5.2308 5.4030 5.5199 5.8031 5.9175 7.9450 7.9771 8.0554 8.1102 8.3078 8.3499 10.4551 10.4920 10.8278 10.8791 k = 0.2143 0.2284 0.7995 ( 5834 PWs) bands (ev): -7.3997 -7.3945 -6.6669 -6.6640 -6.5509 -6.5451 -6.5139 -6.5102 -1.9367 -1.8866 -1.4278 -1.3747 -1.3497 -1.3234 -1.2145 -1.1724 -1.0522 -0.8788 0.0885 0.1340 0.1698 0.2226 0.2590 0.3254 0.3809 0.3957 0.4606 0.5132 0.6051 0.7268 0.7920 0.8698 1.0279 1.1273 2.1536 2.2185 3.6387 3.6683 3.7493 3.7897 3.9753 4.0721 4.3188 4.3863 4.9840 5.0930 5.1573 5.2677 5.4038 5.5185 5.8228 5.9387 7.9233 7.9538 8.0495 8.0968 8.2677 8.3061 10.4632 10.5019 10.8485 10.8981 k = 0.2232 0.2159 0.8149 ( 5840 PWs) bands (ev): -7.3962 -7.3911 -6.6655 -6.6628 -6.5535 -6.5475 -6.5159 -6.5126 -1.9324 -1.8834 -1.4277 -1.3725 -1.3529 -1.3259 -1.2135 -1.1713 -1.0564 -0.8771 0.0896 0.1336 0.1676 0.2266 0.2595 0.3285 0.3759 0.3868 0.4537 0.5108 0.6072 0.7177 0.7980 0.8659 1.0147 1.1148 2.1386 2.2060 3.6623 3.6909 3.7777 3.8115 3.9989 4.0946 4.2754 4.3445 4.9917 5.1165 5.1782 5.2977 5.4051 5.5109 5.8394 5.9559 7.9056 7.9321 8.0469 8.0878 8.2357 8.2706 10.4692 10.5092 10.8659 10.9163 k = 0.2321 0.2034 0.8302 ( 5834 PWs) bands (ev): -7.3937 -7.3886 -6.6645 -6.6620 -6.5553 -6.5491 -6.5174 -6.5144 -1.9291 -1.8812 -1.4276 -1.3699 -1.3564 -1.3276 -1.2127 -1.1704 -1.0596 -0.8759 0.0905 0.1330 0.1658 0.2297 0.2604 0.3319 0.3706 0.3803 0.4485 0.5090 0.6094 0.7111 0.8026 0.8632 1.0053 1.1057 2.1276 2.1969 3.6810 3.7071 3.7994 3.8237 4.0300 4.1171 4.2345 4.3030 4.9972 5.1308 5.2026 5.3149 5.4129 5.4977 5.8518 5.9686 7.8931 7.9144 8.0462 8.0816 8.2124 8.2444 10.4734 10.5140 10.8788 10.9313 k = 0.2411 0.1909 0.8456 ( 5832 PWs) bands (ev): -7.3922 -7.3871 -6.6639 -6.6615 -6.5563 -6.5500 -6.5183 -6.5156 -1.9271 -1.8798 -1.4276 -1.3671 -1.3599 -1.3286 -1.2122 -1.1698 -1.0616 -0.8751 0.0912 0.1324 0.1648 0.2315 0.2612 0.3350 0.3658 0.3767 0.4453 0.5079 0.6109 0.7069 0.8054 0.8615 0.9996 1.1001 2.1209 2.1913 3.6935 3.7165 3.8146 3.8273 4.0664 4.1278 4.2086 4.2647 5.0006 5.1381 5.2239 5.3180 5.4295 5.4806 5.8596 5.9764 7.8861 7.9026 8.0465 8.0777 8.1983 8.2283 10.4758 10.5168 10.8867 10.9411 k = 0.2500 0.1783 0.8610 ( 5828 PWs) bands (ev): -7.3917 -7.3866 -6.6637 -6.6614 -6.5566 -6.5502 -6.5186 -6.5161 -1.9264 -1.8794 -1.4275 -1.3648 -1.3625 -1.3289 -1.2120 -1.1696 -1.0623 -0.8748 0.0915 0.1322 0.1645 0.2321 0.2616 0.3363 0.3637 0.3755 0.4442 0.5075 0.6115 0.7055 0.8064 0.8610 0.9978 1.0982 2.1187 2.1895 3.6980 3.7195 3.8237 3.8241 4.0962 4.1134 4.2101 4.2425 5.0017 5.1404 5.2328 5.3167 5.4430 5.4677 5.8622 5.9791 7.8839 7.8984 8.0467 8.0763 8.1936 8.2229 10.4766 10.5177 10.8894 10.9444 k = 0.2500 0.1783 0.8610 ( 5828 PWs) bands (ev): -7.3917 -7.3866 -6.6637 -6.6614 -6.5566 -6.5502 -6.5186 -6.5161 -1.9264 -1.8794 -1.4275 -1.3648 -1.3625 -1.3289 -1.2120 -1.1696 -1.0623 -0.8748 0.0915 0.1322 0.1645 0.2321 0.2616 0.3363 0.3637 0.3755 0.4442 0.5075 0.6115 0.7055 0.8064 0.8610 0.9978 1.0982 2.1187 2.1895 3.6980 3.7195 3.8237 3.8241 4.0962 4.1134 4.2101 4.2425 5.0017 5.1404 5.2328 5.3167 5.4430 5.4677 5.8622 5.9791 7.8839 7.8984 8.0467 8.0763 8.1936 8.2229 10.4766 10.5177 10.8894 10.9444 k = 0.2639 0.1882 0.8488 ( 5832 PWs) bands (ev): -7.3918 -7.3868 -6.6638 -6.6614 -6.5565 -6.5502 -6.5185 -6.5159 -1.9266 -1.8796 -1.4275 -1.3657 -1.3617 -1.3284 -1.2120 -1.1697 -1.0618 -0.8754 0.0916 0.1321 0.1646 0.2320 0.2614 0.3358 0.3645 0.3763 0.4444 0.5074 0.6108 0.7029 0.8094 0.8618 0.9983 1.0984 2.1220 2.1923 3.6912 3.7112 3.8111 3.8192 4.0879 4.1258 4.2163 4.2558 5.0028 5.1384 5.2342 5.3179 5.4384 5.4730 5.8612 5.9778 7.8723 7.8850 8.0592 8.0873 8.1945 8.2241 10.4777 10.5187 10.8882 10.9424 k = 0.2778 0.1982 0.8366 ( 5844 PWs) bands (ev): -7.3922 -7.3872 -6.6640 -6.6616 -6.5562 -6.5499 -6.5182 -6.5156 -1.9270 -1.8803 -1.4274 -1.3675 -1.3607 -1.3271 -1.2120 -1.1703 -1.0603 -0.8769 0.0920 0.1317 0.1650 0.2315 0.2608 0.3343 0.3661 0.3792 0.4450 0.5071 0.6087 0.6955 0.8173 0.8645 0.9999 1.0994 2.1316 2.2007 3.6722 3.6889 3.7828 3.8002 4.0806 4.1334 4.2452 4.2884 5.0064 5.1332 5.2381 5.3217 5.4303 5.4832 5.8582 5.9741 7.8417 7.8528 8.0873 8.1152 8.1986 8.2284 10.4808 10.5214 10.8845 10.9361 k = 0.2917 0.2081 0.8245 ( 5850 PWs) bands (ev): -7.3928 -7.3879 -6.6644 -6.6620 -6.5557 -6.5496 -6.5178 -6.5151 -1.9277 -1.8815 -1.4272 -1.3695 -1.3599 -1.3250 -1.2119 -1.1714 -1.0577 -0.8794 0.0929 0.1307 0.1662 0.2306 0.2599 0.3325 0.3674 0.3846 0.4458 0.5068 0.6055 0.6850 0.8273 0.8699 1.0026 1.1015 2.1473 2.2143 3.6421 3.6572 3.7456 3.7691 4.0792 4.1323 4.2905 4.3301 5.0124 5.1257 5.2437 5.3281 5.4225 5.4946 5.8538 5.9681 7.8013 7.8120 8.1165 8.1469 8.2108 8.2389 10.4856 10.5256 10.8783 10.9257 k = 0.3056 0.2180 0.8123 ( 5847 PWs) bands (ev): -7.3934 -7.3887 -6.6650 -6.6625 -6.5551 -6.5491 -6.5173 -6.5145 -1.9288 -1.8832 -1.4269 -1.3717 -1.3591 -1.3222 -1.2118 -1.1730 -1.0539 -0.8825 0.0942 0.1290 0.1680 0.2291 0.2589 0.3308 0.3683 0.3920 0.4467 0.5067 0.6017 0.6730 0.8359 0.8796 1.0061 1.1050 2.1684 2.2329 3.6036 3.6195 3.7033 3.7292 4.0816 4.1310 4.3384 4.3757 5.0207 5.1165 5.2498 5.3377 5.4162 5.5064 5.8482 5.9602 7.7571 7.7673 8.1368 8.1668 8.2402 8.2614 10.4916 10.5306 10.8696 10.9120 k = 0.3194 0.2279 0.8001 ( 5842 PWs) bands (ev): -7.3942 -7.3895 -6.6657 -6.6633 -6.5543 -6.5485 -6.5168 -6.5138 -1.9302 -1.8853 -1.4265 -1.3742 -1.3584 -1.3188 -1.2116 -1.1753 -1.0490 -0.8860 0.0957 0.1269 0.1703 0.2272 0.2581 0.3294 0.3692 0.4007 0.4475 0.5068 0.5974 0.6607 0.8411 0.8944 1.0103 1.1103 2.1945 2.2559 3.5604 3.5774 3.6574 3.6833 4.0854 4.1323 4.3821 4.4218 5.0301 5.1063 5.2547 5.3493 5.4132 5.5189 5.8420 5.9505 7.7122 7.7215 8.1462 8.1732 8.2834 8.2985 10.4983 10.5360 10.8585 10.8961 k = 0.3333 0.2378 0.7880 ( 5846 PWs) bands (ev): -7.3949 -7.3905 -6.6667 -6.6642 -6.5533 -6.5477 -6.5163 -6.5132 -1.9320 -1.8878 -1.4259 -1.3767 -1.3577 -1.3152 -1.2112 -1.1780 -1.0431 -0.8896 0.0974 0.1245 0.1729 0.2248 0.2576 0.3283 0.3701 0.4102 0.4482 0.5074 0.5932 0.6487 0.8433 0.9128 1.0150 1.1176 2.2251 2.2830 3.5151 3.5327 3.6087 3.6342 4.0886 4.1358 4.4198 4.4664 5.0389 5.0956 5.2571 5.3572 5.4186 5.5330 5.8357 5.9393 7.6685 7.6766 8.1489 8.1730 8.3304 8.3462 10.5050 10.5409 10.8451 10.8794 k = 0.3472 0.2477 0.7758 ( 5844 PWs) bands (ev): -7.3957 -7.3914 -6.6678 -6.6654 -6.5523 -6.5468 -6.5158 -6.5126 -1.9342 -1.8906 -1.4253 -1.3793 -1.3569 -1.3115 -1.2108 -1.1811 -1.0366 -0.8930 0.0990 0.1224 0.1756 0.2220 0.2577 0.3276 0.3710 0.4201 0.4487 0.5088 0.5891 0.6376 0.8437 0.9331 1.0199 1.1269 2.2595 2.3137 3.4697 3.4867 3.5577 3.5839 4.0904 4.1399 4.4517 4.5079 5.0451 5.0856 5.2566 5.3548 5.4369 5.5495 5.8298 5.9271 7.6271 7.6341 8.1483 8.1697 8.3785 8.3988 10.5109 10.5445 10.8294 10.8631 k = 0.3611 0.2576 0.7636 ( 5841 PWs) bands (ev): -7.3964 -7.3923 -6.6693 -6.6668 -6.5511 -6.5457 -6.5154 -6.5122 -1.9368 -1.8938 -1.4245 -1.3820 -1.3561 -1.3078 -1.2104 -1.1845 -1.0297 -0.8958 0.1000 0.1208 0.1781 0.2189 0.2585 0.3273 0.3719 0.4298 0.4492 0.5111 0.5853 0.6277 0.8432 0.9538 1.0251 1.1378 2.2972 2.3476 3.4250 3.4402 3.5055 3.5346 4.0901 4.1432 4.4786 4.5458 5.0460 5.0780 5.2525 5.3434 5.4631 5.5691 5.8247 5.9143 7.5891 7.5960 8.1464 8.1652 8.4267 8.4528 10.5151 10.5456 10.8121 10.8480 k = 0.3750 0.2675 0.7515 ( 5841 PWs) bands (ev): -7.3971 -7.3932 -6.6709 -6.6685 -6.5498 -6.5444 -6.5150 -6.5118 -1.9398 -1.8971 -1.4236 -1.3846 -1.3553 -1.3043 -1.2099 -1.1879 -1.0228 -0.8975 0.1001 0.1204 0.1802 0.2156 0.2600 0.3275 0.3729 0.4372 0.4517 0.5145 0.5822 0.6195 0.8424 0.9742 1.0308 1.1500 2.3375 2.3841 3.3817 3.3937 3.4530 3.4879 4.0874 4.1444 4.5015 4.5800 5.0405 5.0739 5.2447 5.3258 5.4908 5.5916 5.8203 5.9016 7.5554 7.5636 8.1441 8.1602 8.4743 8.5065 10.5166 10.5431 10.7941 10.8344 k = 0.3889 0.2774 0.7393 ( 5837 PWs) bands (ev): -7.3977 -7.3941 -6.6728 -6.6705 -6.5483 -6.5428 -6.5148 -6.5115 -1.9433 -1.9006 -1.4225 -1.3871 -1.3545 -1.3010 -1.2095 -1.1912 -1.0163 -0.8978 0.0993 0.1210 0.1819 0.2122 0.2620 0.3282 0.3739 0.4392 0.4590 0.5189 0.5797 0.6130 0.8415 0.9934 1.0374 1.1631 2.3798 2.4227 3.3390 3.3479 3.4021 3.4454 4.0820 4.1426 4.5212 4.6108 5.0311 5.0711 5.2328 5.3034 5.5157 5.6161 5.8163 5.8903 7.5272 7.5381 8.1421 8.1555 8.5203 8.5590 10.5141 10.5358 10.7767 10.8227 k = 0.4028 0.2873 0.7271 ( 5837 PWs) bands (ev): -7.3982 -7.3948 -6.6750 -6.6729 -6.5467 -6.5411 -6.5146 -6.5112 -1.9472 -1.9042 -1.4214 -1.3896 -1.3537 -1.2982 -1.2093 -1.1941 -1.0105 -0.8963 0.0979 0.1224 0.1830 0.2090 0.2642 0.3295 0.3751 0.4378 0.4691 0.5243 0.5783 0.6082 0.8410 1.0108 1.0452 1.1765 2.4234 2.4626 3.2947 3.3046 3.3550 3.4082 4.0737 4.1373 4.5383 4.6385 5.0202 5.0678 5.2169 5.2765 5.5351 5.6406 5.8113 5.8817 7.5059 7.5202 8.1410 8.1519 8.5642 8.6097 10.5059 10.5233 10.7605 10.8129 k = 0.4167 0.2972 0.7149 ( 5833 PWs) bands (ev): -7.3988 -7.3956 -6.6776 -6.6755 -6.5450 -6.5392 -6.5143 -6.5110 -1.9514 -1.9079 -1.4201 -1.3919 -1.3530 -1.2959 -1.2094 -1.1966 -1.0057 -0.8929 0.0963 0.1240 0.1835 0.2061 0.2661 0.3314 0.3767 0.4350 0.4795 0.5306 0.5782 0.6052 0.8412 1.0259 1.0546 1.1900 2.4674 2.5030 3.2487 3.2634 3.3143 3.3768 4.0625 4.1284 4.5531 4.6631 5.0093 5.0634 5.1975 5.2460 5.5480 5.6628 5.8037 5.8772 7.4923 7.5104 8.1412 8.1500 8.6053 8.6577 10.4902 10.5062 10.7462 10.8050 k = 0.4306 0.3071 0.7028 ( 5840 PWs) bands (ev): -7.3994 -7.3963 -6.6804 -6.6785 -6.5431 -6.5371 -6.5140 -6.5106 -1.9560 -1.9116 -1.4187 -1.3940 -1.3523 -1.2940 -1.2099 -1.1987 -1.0018 -0.8878 0.0949 0.1255 0.1832 0.2039 0.2676 0.3338 0.3789 0.4317 0.4891 0.5377 0.5797 0.6037 0.8423 1.0389 1.0654 1.2033 2.5106 2.5428 3.2038 3.2229 3.2815 3.3513 4.0485 4.1160 4.5655 4.6843 4.9987 5.0576 5.1755 5.2126 5.5543 5.6805 5.7932 5.8764 7.4868 7.5087 8.1434 8.1506 8.6430 8.7027 10.4661 10.4851 10.7335 10.7986 k = 0.4444 0.3170 0.6906 ( 5846 PWs) bands (ev): -7.4000 -7.3971 -6.6835 -6.6819 -6.5410 -6.5349 -6.5136 -6.5101 -1.9608 -1.9154 -1.4173 -1.3959 -1.3517 -1.2927 -1.2105 -1.2004 -0.9987 -0.8811 0.0939 0.1267 0.1822 0.2023 0.2686 0.3364 0.3820 0.4281 0.4971 0.5459 0.5831 0.6038 0.8446 1.0507 1.0766 1.2162 2.5516 2.5804 3.1620 3.1845 3.2562 3.3314 4.0319 4.1004 4.5751 4.7014 4.9886 5.0500 5.1515 5.1780 5.5547 5.6924 5.7810 5.8773 7.4892 7.5148 8.1480 8.1545 8.6770 8.7439 10.4351 10.4598 10.7220 10.7928 k = 0.4583 0.3269 0.6784 ( 5841 PWs) bands (ev): -7.4008 -7.3980 -6.6870 -6.6856 -6.5388 -6.5324 -6.5130 -6.5094 -1.9659 -1.9191 -1.4159 -1.3975 -1.3512 -1.2919 -1.2112 -1.2019 -0.9961 -0.8733 0.0934 0.1275 0.1804 0.2016 0.2691 0.3389 0.3860 0.4244 0.5031 0.5546 0.5883 0.6055 0.8484 1.0622 1.0875 1.2286 2.5886 2.6141 3.1257 3.1510 3.2372 3.3168 4.0132 4.0821 4.5813 4.7133 4.9787 5.0400 5.1248 5.1464 5.5506 5.6975 5.7688 5.8775 7.4988 7.5276 8.1558 8.1624 8.7067 8.7807 10.3993 10.4302 10.7107 10.7864 k = 0.4722 0.3369 0.6663 ( 5839 PWs) bands (ev): -7.4017 -7.3990 -6.6907 -6.6895 -6.5364 -6.5298 -6.5120 -6.5084 -1.9711 -1.9228 -1.4147 -1.3987 -1.3508 -1.2915 -1.2119 -1.2034 -0.9939 -0.8650 0.0934 0.1279 0.1779 0.2017 0.2693 0.3410 0.3910 0.4209 0.5071 0.5630 0.5955 0.6089 0.8541 1.0739 1.0978 1.2405 2.6188 2.6416 3.0975 3.1254 3.2237 3.3071 3.9927 4.0617 4.5835 4.7188 4.9678 5.0270 5.0931 5.1241 5.5431 5.6960 5.7575 5.8758 7.5144 7.5459 8.1677 8.1746 8.7317 8.8127 10.3606 10.3972 10.6986 10.7781 k = 0.4861 0.3468 0.6541 ( 5830 PWs) bands (ev): -7.4030 -7.4002 -6.6947 -6.6936 -6.5338 -6.5271 -6.5107 -6.5070 -1.9764 -1.9264 -1.4138 -1.3992 -1.3506 -1.2914 -1.2125 -1.2048 -0.9918 -0.8566 0.0939 0.1278 0.1749 0.2022 0.2693 0.3427 0.3964 0.4180 0.5096 0.5697 0.6045 0.6142 0.8620 1.0859 1.1077 1.2521 2.6393 2.6607 3.0798 3.1100 3.2152 3.3015 3.9711 4.0397 4.5808 4.7164 4.9531 5.0117 5.0614 5.1104 5.5335 5.6896 5.7472 5.8716 7.5343 7.5678 8.1847 8.1915 8.7515 8.8391 10.3206 10.3623 10.6846 10.7668 k = 0.5000 0.3567 0.6419 ( 5826 PWs) bands (ev): -7.4046 -7.4017 -6.6989 -6.6978 -6.5310 -6.5243 -6.5090 -6.5052 -1.9818 -1.9301 -1.4135 -1.3990 -1.3505 -1.2915 -1.2133 -1.2059 -0.9899 -0.8485 0.0950 0.1273 0.1716 0.2032 0.2693 0.3439 0.4014 0.4164 0.5110 0.5742 0.6137 0.6226 0.8721 1.0972 1.1184 1.2635 2.6479 2.6702 3.0745 3.1064 3.2111 3.2996 3.9490 4.0170 4.5727 4.7054 4.9315 4.9941 5.0366 5.1026 5.5230 5.6804 5.7372 5.8649 7.5570 7.5914 8.2072 8.2133 8.7660 8.8597 10.2807 10.3270 10.6678 10.7513 k = 0.5000 0.3567 0.6419 ( 5826 PWs) bands (ev): -7.4046 -7.4017 -6.6989 -6.6978 -6.5310 -6.5243 -6.5090 -6.5052 -1.9818 -1.9301 -1.4135 -1.3990 -1.3505 -1.2915 -1.2133 -1.2059 -0.9899 -0.8485 0.0950 0.1273 0.1716 0.2032 0.2693 0.3439 0.4014 0.4164 0.5110 0.5742 0.6137 0.6226 0.8721 1.0972 1.1184 1.2635 2.6479 2.6702 3.0745 3.1064 3.2111 3.2996 3.9490 4.0170 4.5727 4.7054 4.9315 4.9941 5.0366 5.1026 5.5230 5.6804 5.7372 5.8649 7.5570 7.5914 8.2072 8.2133 8.7660 8.8597 10.2807 10.3270 10.6678 10.7513 k = 0.5000 0.3567 0.6205 ( 5842 PWs) bands (ev): -7.4081 -7.4051 -6.7067 -6.7054 -6.5257 -6.5192 -6.5050 -6.5014 -1.9912 -1.9367 -1.4133 -1.3979 -1.3504 -1.2922 -1.2158 -1.2066 -0.9868 -0.8353 0.0974 0.1260 0.1657 0.2054 0.2691 0.3463 0.4084 0.4157 0.5119 0.5778 0.6282 0.6431 0.8944 1.1137 1.1430 1.2841 2.6519 2.6778 3.0762 3.1101 3.2077 3.2978 3.9117 3.9776 4.5531 4.6757 4.8864 4.9574 5.0094 5.0924 5.5035 5.6619 5.7188 5.8500 7.5999 7.6351 8.2520 8.2559 8.7839 8.8869 10.2116 10.2653 10.6312 10.7135 k = 0.5000 0.3567 0.5991 ( 5834 PWs) bands (ev): -7.4120 -7.4089 -6.7152 -6.7137 -6.5200 -6.5138 -6.4999 -6.4967 -2.0004 -1.9434 -1.4131 -1.3968 -1.3502 -1.2935 -1.2191 -1.2060 -0.9839 -0.8233 0.1000 0.1246 0.1603 0.2075 0.2685 0.3498 0.4141 0.4160 0.5112 0.5787 0.6419 0.6659 0.9218 1.1304 1.1715 1.3051 2.6552 2.6853 3.0780 3.1136 3.2040 3.2930 3.8785 3.9410 4.5328 4.6411 4.8430 4.9191 4.9909 5.0816 5.4825 5.6412 5.6988 5.8327 7.6456 7.6813 8.2964 8.2975 8.7956 8.9063 10.1433 10.2042 10.5855 10.6632 k = 0.5000 0.3567 0.5777 ( 5830 PWs) bands (ev): -7.4164 -7.4132 -6.7243 -6.7227 -6.5139 -6.5083 -6.4937 -6.4910 -2.0092 -1.9503 -1.4128 -1.3957 -1.3500 -1.2952 -1.2226 -1.2048 -0.9815 -0.8129 0.1023 0.1227 0.1565 0.2094 0.2676 0.3541 0.4138 0.4222 0.5095 0.5786 0.6537 0.6884 0.9544 1.1504 1.2010 1.3262 2.6574 2.6923 3.0800 3.1168 3.1998 3.2850 3.8507 3.9083 4.5118 4.6023 4.8034 4.8839 4.9760 5.0702 5.4602 5.6190 5.6771 5.8135 7.6935 7.7295 8.3373 8.3397 8.8005 8.9169 10.0768 10.1445 10.5307 10.6014 k = 0.5000 0.3567 0.5563 ( 5822 PWs) bands (ev): -7.4213 -7.4180 -6.7340 -6.7321 -6.5075 -6.5025 -6.4866 -6.4845 -2.0177 -1.9571 -1.4124 -1.3945 -1.3498 -1.2972 -1.2260 -1.2034 -0.9797 -0.8040 0.1034 0.1204 0.1548 0.2114 0.2665 0.3588 0.4129 0.4286 0.5068 0.5781 0.6633 0.7093 0.9922 1.1747 1.2306 1.3472 2.6580 2.6984 3.0822 3.1196 3.1951 3.2739 3.8290 3.8805 4.4901 4.5607 4.7681 4.8540 4.9626 5.0585 5.4369 5.5954 5.6539 5.7925 7.7431 7.7791 8.3747 8.3810 8.7985 8.9179 10.0127 10.0869 10.4672 10.5297 k = 0.5000 0.3567 0.5349 ( 5814 PWs) bands (ev): -7.4266 -7.4233 -6.7442 -6.7420 -6.5006 -6.4962 -6.4787 -6.4771 -2.0258 -1.9639 -1.4120 -1.3933 -1.3497 -1.2994 -1.2291 -1.2019 -0.9787 -0.7971 0.1025 0.1183 0.1554 0.2136 0.2654 0.3636 0.4121 0.4348 0.5035 0.5775 0.6703 0.7274 1.0350 1.2037 1.2601 1.3679 2.6568 2.7031 3.0846 3.1221 3.1900 3.2602 3.8138 3.8582 4.4675 4.5183 4.7374 4.8298 4.9501 5.0465 5.4129 5.5710 5.6294 5.7699 7.7936 7.8296 8.4089 8.4196 8.7894 8.9093 9.9517 10.0319 10.3958 10.4505 k = 0.5000 0.3567 0.5135 ( 5814 PWs) bands (ev): -7.4324 -7.4291 -6.7547 -6.7523 -6.4932 -6.4893 -6.4702 -6.4690 -2.0333 -1.9705 -1.4116 -1.3919 -1.3498 -1.3016 -1.2317 -1.2005 -0.9786 -0.7921 0.0991 0.1170 0.1579 0.2163 0.2642 0.3684 0.4113 0.4406 0.4997 0.5769 0.6750 0.7421 1.0823 1.2373 1.2893 1.3879 2.6534 2.7059 3.0875 3.1244 3.1844 3.2447 3.8048 3.8417 4.4441 4.4771 4.7117 4.8110 4.9381 5.0345 5.3884 5.5460 5.6038 5.7461 7.8447 7.8803 8.4393 8.4549 8.7736 8.8915 9.8941 9.9800 10.3176 10.3661 k = 0.5000 0.3567 0.4921 ( 5810 PWs) bands (ev): -7.4386 -7.4354 -6.7655 -6.7630 -6.4854 -6.4818 -6.4612 -6.4603 -2.0403 -1.9769 -1.4111 -1.3905 -1.3500 -1.3037 -1.2340 -1.1991 -0.9795 -0.7893 0.0941 0.1163 0.1613 0.2198 0.2630 0.3728 0.4106 0.4459 0.4957 0.5764 0.6774 0.7530 1.1336 1.2746 1.3189 1.4071 2.6475 2.7061 3.0912 3.1266 3.1784 3.2285 3.8016 3.8313 4.4191 4.4402 4.6911 4.7971 4.9266 5.0225 5.3637 5.5208 5.5771 5.7211 7.8955 7.9307 8.4651 8.4860 8.7517 8.8653 9.8401 9.9314 10.2336 10.2787 k = 0.5000 0.3567 0.4707 ( 5822 PWs) bands (ev): -7.4453 -7.4421 -6.7765 -6.7738 -6.4770 -6.4737 -6.4519 -6.4511 -2.0468 -1.9831 -1.4107 -1.3888 -1.3505 -1.3056 -1.2357 -1.1978 -0.9814 -0.7885 0.0881 0.1159 0.1649 0.2242 0.2617 0.3764 0.4103 0.4504 0.4920 0.5759 0.6779 0.7601 1.1882 1.3127 1.3508 1.4255 2.6392 2.7032 3.0957 3.1289 3.1722 3.2127 3.8034 3.8268 4.3901 4.4121 4.6756 4.7875 4.9156 5.0106 5.3390 5.4955 5.5496 5.6952 7.9456 7.9801 8.4859 8.5122 8.7247 8.8318 9.7899 9.8863 10.1451 10.1898 k = 0.5000 0.3567 0.4493 ( 5810 PWs) bands (ev): -7.4523 -7.4491 -6.7876 -6.7848 -6.4681 -6.4650 -6.4423 -6.4414 -2.0527 -1.9890 -1.4102 -1.3870 -1.3512 -1.3073 -1.2370 -1.1965 -0.9843 -0.7900 0.0819 0.1156 0.1683 0.2296 0.2606 0.3789 0.4104 0.4539 0.4891 0.5754 0.6765 0.7636 1.2451 1.3462 1.3895 1.4436 2.6285 2.6969 3.1012 3.1310 3.1661 3.1979 3.8096 3.8278 4.3600 4.3920 4.6650 4.7819 4.9050 4.9990 5.3145 5.4706 5.5214 5.6685 7.9944 8.0280 8.5008 8.5329 8.6936 8.7926 9.7432 9.8446 10.0539 10.1009 k = 0.5000 0.3567 0.4279 ( 5818 PWs) bands (ev): -7.4596 -7.4565 -6.7988 -6.7959 -6.4587 -6.4558 -6.4325 -6.4316 -2.0580 -1.9946 -1.4097 -1.3850 -1.3522 -1.3088 -1.2377 -1.1952 -0.9883 -0.7937 0.0757 0.1153 0.1712 0.2354 0.2600 0.3799 0.4112 0.4558 0.4876 0.5748 0.6735 0.7638 1.3029 1.3731 1.4346 1.4636 2.6158 2.6871 3.1077 3.1323 3.1610 3.1846 3.8197 3.8340 4.3331 4.3770 4.6590 4.7801 4.8949 4.9876 5.2905 5.4461 5.4927 5.6412 8.0415 8.0739 8.5088 8.5473 8.6599 8.7497 9.7000 9.8060 9.9616 10.0126 k = 0.5000 0.3567 0.4066 ( 5832 PWs) bands (ev): -7.4672 -7.4641 -6.8099 -6.8069 -6.4488 -6.4460 -6.4225 -6.4215 -2.0627 -1.9999 -1.4092 -1.3828 -1.3534 -1.3099 -1.2380 -1.1940 -0.9934 -0.7995 0.0697 0.1152 0.1736 0.2403 0.2611 0.3793 0.4125 0.4559 0.4880 0.5742 0.6692 0.7611 1.3589 1.3959 1.4717 1.4987 2.6013 2.6739 3.1151 3.1316 3.1583 3.1725 3.8333 3.8446 4.3113 4.3669 4.6571 4.7817 4.8853 4.9766 5.2671 5.4223 5.4635 5.6132 8.0861 8.1173 8.5083 8.5547 8.6256 8.7057 9.6599 9.7697 9.8700 9.9259 k = 0.5000 0.3567 0.3852 ( 5836 PWs) bands (ev): -7.4749 -7.4720 -6.8208 -6.8178 -6.4385 -6.4357 -6.4125 -6.4114 -2.0667 -2.0049 -1.4087 -1.3803 -1.3549 -1.3106 -1.2378 -1.1928 -0.9995 -0.8074 0.0640 0.1152 0.1756 0.2421 0.2655 0.3773 0.4138 0.4547 0.4900 0.5734 0.6636 0.7559 1.4042 1.4191 1.5011 1.5519 2.5857 2.6580 3.1228 3.1278 3.1583 3.1619 3.8504 3.8593 4.2953 4.3618 4.6588 4.7865 4.8762 4.9660 5.2445 5.3993 5.4340 5.5849 8.1277 8.1576 8.4969 8.5541 8.5923 8.6651 9.6225 9.7335 9.7827 9.8416 k = 0.5000 0.3567 0.3638 ( 5824 PWs) bands (ev): -7.4827 -7.4799 -6.8316 -6.8286 -6.4279 -6.4252 -6.4025 -6.4013 -2.0702 -2.0096 -1.4081 -1.3776 -1.3565 -1.3110 -1.2372 -1.1917 -1.0065 -0.8174 0.0588 0.1155 0.1774 0.2409 0.2730 0.3740 0.4144 0.4533 0.4931 0.5725 0.6570 0.7485 1.4274 1.4465 1.5430 1.6095 2.5693 2.6400 3.1220 3.1304 3.1507 3.1616 3.8710 3.8776 4.2853 4.3620 4.6636 4.7944 4.8678 4.9559 5.2229 5.3773 5.4044 5.5561 8.1655 8.1942 8.4737 8.5398 8.5642 8.6329 9.5872 9.6787 9.7186 9.7606 k = 0.5000 0.3567 0.3424 ( 5816 PWs) bands (ev): -7.4906 -7.4880 -6.8421 -6.8392 -6.4171 -6.4144 -6.3925 -6.3914 -2.0731 -2.0139 -1.4075 -1.3747 -1.3583 -1.3110 -1.2361 -1.1905 -1.0145 -0.8294 0.0541 0.1160 0.1790 0.2379 0.2821 0.3697 0.4138 0.4526 0.4967 0.5715 0.6497 0.7394 1.4428 1.4646 1.5981 1.6686 2.5527 2.6207 3.1152 3.1357 3.1424 3.1641 3.8946 3.9002 4.2814 4.3673 4.6710 4.8051 4.8599 4.9464 5.2024 5.3563 5.3751 5.5271 8.1983 8.2265 8.4422 8.5032 8.5495 8.6098 9.5521 9.6008 9.6803 9.6876 k = 0.5000 0.3567 0.3210 ( 5818 PWs) bands (ev): -7.4985 -7.4959 -6.8523 -6.8494 -6.4061 -6.4034 -6.3827 -6.3815 -2.0754 -2.0180 -1.4069 -1.3715 -1.3600 -1.3105 -1.2347 -1.1894 -1.0232 -0.8432 0.0499 0.1169 0.1807 0.2337 0.2918 0.3645 0.4117 0.4531 0.5005 0.5703 0.6417 0.7288 1.4556 1.4759 1.6592 1.7282 2.5362 2.6009 3.1080 3.1299 3.1441 3.1656 3.9204 3.9277 4.2833 4.3773 4.6803 4.8181 4.8528 4.9375 5.1832 5.3355 5.3470 5.4978 8.2236 8.2533 8.4084 8.4591 8.5379 8.5913 9.5056 9.5349 9.6113 9.6560 k = 0.5000 0.3567 0.2996 ( 5814 PWs) bands (ev): -7.5063 -7.5038 -6.8621 -6.8593 -6.3951 -6.3924 -6.3731 -6.3720 -2.0772 -2.0218 -1.4061 -1.3685 -1.3615 -1.3096 -1.2330 -1.1883 -1.0326 -0.8586 0.0464 0.1181 0.1823 0.2286 0.3015 0.3587 0.4082 0.4546 0.5044 0.5689 0.6333 0.7172 1.4665 1.4836 1.7224 1.7876 2.5203 2.5811 3.1008 3.1209 3.1473 3.1655 3.9488 3.9600 4.2908 4.3914 4.6908 4.8326 4.8467 4.9296 5.1655 5.3118 5.3235 5.4684 8.2369 8.2722 8.3779 8.4173 8.5265 8.5741 9.4361 9.4952 9.5470 9.6284 k = 0.5000 0.3567 0.2782 ( 5822 PWs) bands (ev): -7.5138 -7.5115 -6.8714 -6.8687 -6.3842 -6.3815 -6.3638 -6.3627 -2.0784 -2.0253 -1.4054 -1.3669 -1.3611 -1.3083 -1.2310 -1.1873 -1.0426 -0.8756 0.0436 0.1197 0.1841 0.2229 0.3108 0.3524 0.4038 0.4570 0.5082 0.5673 0.6248 0.7048 1.4755 1.4891 1.7855 1.8461 2.5053 2.5618 3.0937 3.1121 3.1484 3.1632 3.9803 3.9964 4.3031 4.4090 4.7017 4.8387 4.8514 4.9226 5.1492 5.2848 5.3055 5.4391 8.2326 8.2771 8.3557 8.3866 8.5161 8.5580 9.3664 9.4558 9.4943 9.6010 k = 0.5000 0.3567 0.2568 ( 5822 PWs) bands (ev): -7.5211 -7.5190 -6.8803 -6.8777 -6.3735 -6.3709 -6.3549 -6.3538 -2.0791 -2.0286 -1.4046 -1.3680 -1.3578 -1.3065 -1.2287 -1.1863 -1.0530 -0.8939 0.0416 0.1217 0.1858 0.2167 0.3188 0.3461 0.3992 0.4596 0.5120 0.5655 0.6164 0.6919 1.4831 1.4933 1.8477 1.9032 2.4914 2.5436 3.0868 3.1037 3.1469 3.1587 4.0150 4.0364 4.3196 4.4292 4.7122 4.8342 4.8681 4.9168 5.1346 5.2578 5.2899 5.4099 8.2112 8.2589 8.3444 8.3719 8.5087 8.5445 9.3018 9.4100 9.4552 9.5733 k = 0.5000 0.3567 0.2354 ( 5818 PWs) bands (ev): -7.5281 -7.5262 -6.8886 -6.8862 -6.3631 -6.3605 -6.3464 -6.3454 -2.0793 -2.0317 -1.4038 -1.3698 -1.3531 -1.3044 -1.2262 -1.1854 -1.0636 -0.9132 0.0403 0.1241 0.1874 0.2102 0.3243 0.3404 0.3953 0.4624 0.5156 0.5636 0.6082 0.6787 1.4892 1.4964 1.9082 1.9584 2.4788 2.5266 3.0802 3.0957 3.1428 3.1519 4.0527 4.0798 4.3395 4.4510 4.7213 4.8297 4.8854 4.9123 5.1218 5.2323 5.2761 5.3810 8.1801 8.2244 8.3379 8.3636 8.5061 8.5362 9.2437 9.3643 9.4228 9.5445 k = 0.5000 0.3567 0.2140 ( 5814 PWs) bands (ev): -7.5348 -7.5329 -6.8963 -6.8941 -6.3531 -6.3506 -6.3385 -6.3374 -2.0791 -2.0347 -1.4029 -1.3719 -1.3479 -1.3018 -1.2235 -1.1846 -1.0743 -0.9334 0.0399 0.1267 0.1881 0.2044 0.3243 0.3375 0.3931 0.4651 0.5192 0.5614 0.6006 0.6655 1.4940 1.4988 1.9662 2.0111 2.4677 2.5110 3.0741 3.0883 3.1364 3.1433 4.0930 4.1258 4.3621 4.4735 4.7285 4.8256 4.9017 4.9088 5.1110 5.2090 5.2636 5.3529 8.1458 8.1850 8.3279 8.3520 8.5094 8.5349 9.1928 9.3235 9.3922 9.5143 k = 0.5000 0.3567 0.1926 ( 5808 PWs) bands (ev): -7.5409 -7.5393 -6.9034 -6.9014 -6.3437 -6.3413 -6.3311 -6.3300 -2.0785 -2.0375 -1.4020 -1.3739 -1.3421 -1.2988 -1.2206 -1.1839 -1.0849 -0.9542 0.0404 0.1293 0.1865 0.2011 0.3193 0.3360 0.3938 0.4675 0.5228 0.5592 0.5937 0.6525 1.4975 1.5008 2.0212 2.0608 2.4581 2.4970 3.0685 3.0815 3.1279 3.1330 4.1353 4.1737 4.3868 4.4957 4.7334 4.8214 4.9059 4.9158 5.1028 5.1889 5.2524 5.3257 8.1114 8.1458 8.3132 8.3346 8.5177 8.5400 9.1495 9.2890 9.3619 9.4822 k = 0.5000 0.3567 0.1712 ( 5820 PWs) bands (ev): -7.5466 -7.5451 -6.9099 -6.9080 -6.3350 -6.3326 -6.3243 -6.3232 -2.0775 -2.0402 -1.4011 -1.3760 -1.3359 -1.2956 -1.2176 -1.1833 -1.0951 -0.9753 0.0418 0.1314 0.1821 0.2011 0.3126 0.3324 0.3975 0.4695 0.5263 0.5569 0.5875 0.6398 1.4998 1.5026 2.0727 2.1070 2.4502 2.4847 3.0635 3.0753 3.1179 3.1215 4.1789 4.2227 4.4127 4.5169 4.7360 4.8170 4.9023 4.9262 5.0979 5.1729 5.2424 5.3000 8.0785 8.1086 8.2950 8.3129 8.5294 8.5493 9.1143 9.2612 9.3318 9.4480 k = 0.5000 0.3567 0.1498 ( 5818 PWs) bands (ev): -7.5517 -7.5504 -6.9156 -6.9140 -6.3270 -6.3247 -6.3182 -6.3171 -2.0761 -2.0428 -1.4002 -1.3781 -1.3293 -1.2923 -1.2145 -1.1828 -1.1046 -0.9964 0.0441 0.1323 0.1776 0.2028 0.3057 0.3264 0.4036 0.4708 0.5298 0.5547 0.5821 0.6275 1.5013 1.5041 2.1202 2.1492 2.4438 2.4740 3.0590 3.0697 3.1068 3.1095 4.2230 4.2717 4.4396 4.5361 4.7367 4.8122 4.8968 4.9313 5.0971 5.1615 5.2332 5.2764 8.0481 8.0742 8.2752 8.2891 8.5427 8.5611 9.0875 9.2401 9.3019 9.4111 k = 0.5000 0.3567 0.1284 ( 5818 PWs) bands (ev): -7.5562 -7.5550 -6.9206 -6.9192 -6.3199 -6.3176 -6.3128 -6.3116 -2.0745 -2.0454 -1.3991 -1.3802 -1.3225 -1.2890 -1.2111 -1.1825 -1.1132 -1.0172 0.0473 0.1308 0.1751 0.2049 0.2989 0.3190 0.4110 0.4715 0.5333 0.5529 0.5773 0.6158 1.5022 1.5052 2.1630 2.1870 2.4390 2.4649 3.0552 3.0648 3.0953 3.0974 4.2669 4.3191 4.4668 4.5530 4.7358 4.8070 4.8885 4.9302 5.1010 5.1548 5.2248 5.2552 8.0209 8.0432 8.2554 8.2655 8.5566 8.5740 9.0689 9.2255 9.2730 9.3713 k = 0.5000 0.3567 0.1070 ( 5818 PWs) bands (ev): -7.5601 -7.5591 -6.9249 -6.9237 -6.3137 -6.3116 -6.3081 -6.3069 -2.0726 -2.0480 -1.3981 -1.3822 -1.3155 -1.2860 -1.2075 -1.1824 -1.1203 -1.0374 0.0514 0.1262 0.1758 0.2069 0.2925 0.3109 0.4190 0.4713 0.5370 0.5517 0.5732 0.6047 1.5028 1.5059 2.2006 2.2198 2.4357 2.4573 3.0520 3.0606 3.0839 3.0858 4.3094 4.3634 4.4939 4.5674 4.7334 4.8013 4.8778 4.9227 5.1090 5.1526 5.2168 5.2367 7.9973 8.0161 8.2367 8.2435 8.5703 8.5869 9.0585 9.2165 9.2460 9.3282 k = 0.5000 0.3567 0.0856 ( 5818 PWs) bands (ev): -7.5632 -7.5625 -6.9284 -6.9274 -6.3086 -6.3066 -6.3042 -6.3030 -2.0705 -2.0506 -1.3969 -1.3841 -1.3086 -1.2837 -1.2037 -1.1827 -1.1255 -1.0567 0.0565 0.1193 0.1791 0.2084 0.2868 0.3028 0.4270 0.4702 0.5408 0.5511 0.5695 0.5944 1.5033 1.5061 2.2325 2.2471 2.4338 2.4511 3.0495 3.0571 3.0732 3.0753 4.3496 4.4022 4.5201 4.5796 4.7298 4.7951 4.8660 4.9097 5.1202 5.1538 5.2091 5.2210 7.9779 7.9930 8.2200 8.2243 8.5833 8.5988 9.0559 9.2105 9.2231 9.2831 k = 0.5000 0.3567 0.0642 ( 5816 PWs) bands (ev): -7.5657 -7.5651 -6.9311 -6.9304 -6.3045 -6.3028 -6.3010 -6.2999 -2.0682 -2.0531 -1.3956 -1.3860 -1.3020 -1.2823 -1.1997 -1.1834 -1.1282 -1.0746 0.0624 0.1111 0.1841 0.2089 0.2824 0.2953 0.4349 0.4680 0.5448 0.5513 0.5662 0.5850 1.5037 1.5061 2.2581 2.2685 2.4332 2.4462 3.0476 3.0543 3.0640 3.0664 4.3862 4.4331 4.5440 4.5905 4.7260 4.7877 4.8554 4.8932 5.1330 5.1577 5.2013 5.2074 7.9629 7.9744 8.2062 8.2086 8.5952 8.6086 9.0604 9.1954 9.2138 9.2405 k = 0.5000 0.3567 0.0428 ( 5804 PWs) bands (ev): -7.5675 -7.5671 -6.9330 -6.9325 -6.3015 -6.3003 -6.2984 -6.2976 -2.0658 -2.0557 -1.3943 -1.3878 -1.2959 -1.2822 -1.1958 -1.1846 -1.1276 -1.0907 0.0692 0.1023 0.1899 0.2080 0.2795 0.2888 0.4424 0.4648 0.5490 0.5522 0.5633 0.5765 1.5042 1.5058 2.2771 2.2836 2.4336 2.4423 3.0465 3.0524 3.0566 3.0596 4.4174 4.4533 4.5642 4.5991 4.7253 4.7776 4.8484 4.8760 5.1463 5.1633 5.1931 5.1956 7.9525 7.9603 8.1959 8.1971 8.6055 8.6156 9.0716 9.1709 9.2097 9.2110 k = 0.5000 0.3567 0.0214 ( 5810 PWs) bands (ev): -7.5685 -7.5683 -6.9341 -6.9339 -6.2997 -6.2991 -6.2967 -6.2963 -2.0634 -2.0583 -1.3928 -1.3896 -1.2907 -1.2836 -1.1922 -1.1865 -1.1235 -1.1046 0.0767 0.0934 0.1958 0.2054 0.2788 0.2836 0.4492 0.4605 0.5531 0.5536 0.5616 0.5691 1.5046 1.5055 2.2891 2.2922 2.4349 2.4392 3.0464 3.0504 3.0525 3.0552 4.4416 4.4613 4.5809 4.6011 4.7320 4.7633 4.8468 4.8612 5.1593 5.1700 5.1834 5.1860 7.9470 7.9509 8.1895 8.1900 8.6133 8.6188 9.0889 9.1405 9.1988 9.2045 k = 0.5000 0.3567-0.0000 ( 5814 PWs) bands (ev): -7.5688 -7.5688 -6.9344 -6.9344 -6.2988 -6.2988 -6.2960 -6.2960 -2.0608 -2.0608 -1.3912 -1.3912 -1.2865 -1.2865 -1.1890 -1.1890 -1.1157 -1.1157 0.0848 0.0848 0.2012 0.2012 0.2802 0.2802 0.4553 0.4553 0.5547 0.5547 0.5634 0.5634 1.5051 1.5051 2.2941 2.2941 2.4368 2.4368 3.0476 3.0476 3.0528 3.0528 4.4569 4.4569 4.5942 4.5942 4.7464 4.7464 4.8511 4.8511 5.1713 5.1713 5.1781 5.1781 7.9465 7.9465 8.1875 8.1875 8.6180 8.6180 9.1121 9.1121 9.1989 9.1989 k = 0.0000 0.0000 0.8610 ( 5848 PWs) bands (ev): -7.3893 -7.3893 -6.6633 -6.6633 -6.5530 -6.5530 -6.5166 -6.5166 -1.9041 -1.9041 -1.4093 -1.4093 -1.3304 -1.3304 -1.1894 -1.1894 -0.9846 -0.9846 0.1198 0.1198 0.1804 0.1804 0.3144 0.3144 0.3913 0.3913 0.4508 0.4508 0.5686 0.5686 0.8675 0.8675 1.1147 1.1147 2.6192 2.6192 3.0728 3.0728 3.2501 3.2501 4.2717 4.2717 4.7605 4.7605 5.1141 5.1141 5.4014 5.4014 5.6472 5.6472 5.8656 5.8656 7.3603 7.3603 7.9214 7.9214 8.5470 8.5470 10.7295 10.7295 10.7717 10.7717 k = 0.0179 0.0127 0.8610 ( 5854 PWs) bands (ev): -7.3896 -7.3890 -6.6634 -6.6631 -6.5534 -6.5527 -6.5167 -6.5164 -1.9068 -1.9015 -1.4121 -1.4063 -1.3337 -1.3274 -1.1920 -1.1868 -0.9949 -0.9738 0.1183 0.1210 0.1751 0.1863 0.3088 0.3192 0.3896 0.3927 0.4473 0.4550 0.5670 0.5713 0.8676 0.8686 1.1094 1.1169 2.6013 2.6140 3.0811 3.0910 3.2534 3.2556 4.2698 4.2722 4.7532 4.7571 5.1115 5.1154 5.3906 5.4122 5.6384 5.6490 5.8577 5.8748 7.3643 7.3648 7.9242 7.9255 8.5436 8.5438 10.7110 10.7326 10.7711 10.7857 k = 0.0357 0.0255 0.8610 ( 5844 PWs) bands (ev): -7.3899 -7.3888 -6.6635 -6.6630 -6.5538 -6.5523 -6.5169 -6.5163 -1.9093 -1.8988 -1.4146 -1.4031 -1.3372 -1.3247 -1.1947 -1.1844 -1.0048 -0.9629 0.1166 0.1221 0.1706 0.1926 0.3028 0.3232 0.3877 0.3938 0.4442 0.4597 0.5667 0.5753 0.8688 0.8707 1.1009 1.1163 2.5651 2.5880 3.1135 3.1310 3.2654 3.2699 4.2667 4.2715 4.7354 4.7429 5.1074 5.1157 5.3806 5.4222 5.6229 5.6436 5.8512 5.8850 7.3767 7.3777 7.9337 7.9363 8.5337 8.5341 10.6889 10.7174 10.7869 10.8014 k = 0.0536 0.0382 0.8610 ( 5850 PWs) bands (ev): -7.3901 -7.3885 -6.6636 -6.6628 -6.5541 -6.5520 -6.5171 -6.5162 -1.9118 -1.8962 -1.4169 -1.3996 -1.3407 -1.3224 -1.1973 -1.1820 -1.0140 -0.9518 0.1144 0.1231 0.1670 0.1991 0.2964 0.3264 0.3856 0.3947 0.4417 0.4649 0.5677 0.5804 0.8709 0.8736 1.0894 1.1133 2.5179 2.5485 3.1625 3.1852 3.2860 3.2929 4.2622 4.2695 4.7079 4.7183 5.1020 5.1155 5.3718 5.4306 5.6012 5.6313 5.8464 5.8962 7.3973 7.3986 7.9492 7.9530 8.5174 8.5180 10.6655 10.6971 10.8062 10.8162 k = 0.0714 0.0510 0.8610 ( 5840 PWs) bands (ev): -7.3904 -7.3882 -6.6637 -6.6626 -6.5545 -6.5517 -6.5173 -6.5162 -1.9141 -1.8937 -1.4189 -1.3959 -1.3442 -1.3207 -1.1999 -1.1799 -1.0225 -0.9408 0.1119 0.1241 0.1644 0.2056 0.2899 0.3288 0.3832 0.3950 0.4399 0.4706 0.5698 0.5869 0.8736 0.8768 1.0756 1.1086 2.4656 2.5022 3.2207 3.2473 3.3152 3.3247 4.2561 4.2661 4.6716 4.6841 5.0952 5.1151 5.3643 5.4367 5.5740 5.6131 5.8438 5.9079 7.4256 7.4271 7.9698 7.9748 8.4949 8.4957 10.6415 10.6751 10.8257 10.8298 k = 0.0893 0.0637 0.8610 ( 5834 PWs) bands (ev): -7.3906 -7.3879 -6.6637 -6.6625 -6.5548 -6.5514 -6.5175 -6.5161 -1.9163 -1.8913 -1.4207 -1.3921 -1.3476 -1.3195 -1.2022 -1.1779 -1.0302 -0.9301 0.1091 0.1251 0.1627 0.2120 0.2835 0.3306 0.3806 0.3946 0.4387 0.4765 0.5730 0.5947 0.8764 0.8798 1.0601 1.1031 2.4119 2.4536 3.2827 3.3112 3.3548 3.3654 4.2483 4.2610 4.6276 4.6415 5.0871 5.1148 5.3579 5.4398 5.5427 5.5902 5.8431 5.9197 7.4609 7.4625 7.9944 8.0004 8.4665 8.4677 10.6174 10.6524 10.8419 10.8446 k = 0.1071 0.0764 0.8610 ( 5836 PWs) bands (ev): -7.3908 -7.3877 -6.6637 -6.6623 -6.5552 -6.5512 -6.5177 -6.5161 -1.9183 -1.8890 -1.4223 -1.3881 -1.3508 -1.3190 -1.2044 -1.1762 -1.0371 -0.9199 0.1062 0.1262 0.1617 0.2179 0.2774 0.3319 0.3780 0.3935 0.4383 0.4823 0.5772 0.6040 0.8783 0.8819 1.0440 1.0977 2.3590 2.4055 3.3444 3.3692 3.4089 3.4153 4.2384 4.2541 4.5773 4.5919 5.0779 5.1149 5.3522 5.4375 5.5108 5.5646 5.8442 5.9312 7.5026 7.5040 8.0216 8.0283 8.4328 8.4343 10.5935 10.6297 10.8525 10.8626 k = 0.1250 0.0892 0.8610 ( 5832 PWs) bands (ev): -7.3910 -7.3875 -6.6637 -6.6621 -6.5555 -6.5510 -6.5179 -6.5161 -1.9201 -1.8869 -1.4236 -1.3840 -1.3538 -1.3192 -1.2063 -1.1746 -1.0432 -0.9103 0.1032 0.1272 0.1614 0.2231 0.2719 0.3328 0.3753 0.3915 0.4386 0.4879 0.5821 0.6150 0.8782 0.8826 1.0287 1.0935 2.3088 2.3598 3.4038 3.4211 3.4731 3.4751 4.2263 4.2451 4.5222 4.5371 5.0675 5.1156 5.3468 5.4239 5.4861 5.5383 5.8465 5.9419 7.5497 7.5507 8.0499 8.0569 8.3941 8.3963 10.5704 10.6076 10.8615 10.8796 k = 0.1429 0.1019 0.8610 ( 5846 PWs) bands (ev): -7.3912 -7.3872 -6.6638 -6.6619 -6.5558 -6.5508 -6.5180 -6.5160 -1.9218 -1.8850 -1.4247 -1.3798 -1.3566 -1.3200 -1.2079 -1.1733 -1.0484 -0.9015 0.1004 0.1282 0.1616 0.2275 0.2673 0.3336 0.3727 0.3888 0.4393 0.4930 0.5876 0.6276 0.8747 0.8815 1.0157 1.0910 2.2625 2.3178 3.4613 3.4729 3.5358 3.5445 4.2117 4.2334 4.4642 4.4788 5.0559 5.1170 5.3414 5.3948 5.4747 5.5133 5.8496 5.9516 7.6013 7.6018 8.0776 8.0843 8.3513 8.3546 10.5484 10.5866 10.8692 10.8952 k = 0.1607 0.1146 0.8610 ( 5848 PWs) bands (ev): -7.3913 -7.3871 -6.6638 -6.6618 -6.5560 -6.5506 -6.5182 -6.5160 -1.9232 -1.8833 -1.4256 -1.3757 -1.3590 -1.3214 -1.2093 -1.1721 -1.0527 -0.8937 0.0979 0.1293 0.1621 0.2306 0.2639 0.3342 0.3703 0.3858 0.4404 0.4974 0.5933 0.6418 0.8670 0.8785 1.0062 1.0904 2.2211 2.2805 3.5173 3.5260 3.5996 3.6128 4.1943 4.2182 4.4057 4.4189 5.0436 5.1194 5.3358 5.3583 5.4706 5.4912 5.8528 5.9599 7.6560 7.6564 8.1030 8.1080 8.3055 8.3109 10.5284 10.5673 10.8755 10.9092 k = 0.1786 0.1274 0.8610 ( 5860 PWs) bands (ev): -7.3915 -7.3869 -6.6638 -6.6616 -6.5562 -6.5505 -6.5183 -6.5160 -1.9243 -1.8819 -1.4263 -1.3718 -1.3610 -1.3231 -1.2103 -1.1712 -1.0562 -0.8871 0.0956 0.1302 0.1628 0.2323 0.2619 0.3348 0.3681 0.3827 0.4416 0.5011 0.5989 0.6572 0.8549 0.8742 1.0007 1.0915 2.1856 2.2487 3.5712 3.5793 3.6616 3.6771 4.1745 4.1983 4.3503 4.3598 5.0312 5.1229 5.3212 5.3302 5.4691 5.4730 5.8559 5.9667 7.7121 7.7137 8.1238 8.1240 8.2587 8.2689 10.5108 10.5504 10.8806 10.9213 k = 0.1964 0.1401 0.8610 ( 5844 PWs) bands (ev): -7.3916 -7.3868 -6.6637 -6.6615 -6.5564 -6.5504 -6.5185 -6.5161 -1.9252 -1.8808 -1.4269 -1.3682 -1.3626 -1.3251 -1.2111 -1.1705 -1.0589 -0.8819 0.0939 0.1310 0.1634 0.2328 0.2612 0.3354 0.3663 0.3799 0.4427 0.5039 0.6039 0.6732 0.8398 0.8694 0.9982 1.0936 2.1570 2.2233 3.6204 3.6304 3.7195 3.7347 4.1533 4.1720 4.3029 4.3044 5.0197 5.1275 5.2873 5.3249 5.4594 5.4683 5.8586 5.9721 7.7683 7.7717 8.1239 8.1346 8.2167 8.2369 10.4963 10.5366 10.8845 10.9311 k = 0.2143 0.1529 0.8610 ( 5836 PWs) bands (ev): -7.3916 -7.3867 -6.6637 -6.6615 -6.5565 -6.5503 -6.5185 -6.5161 -1.9259 -1.8800 -1.4272 -1.3652 -1.3638 -1.3270 -1.2116 -1.1700 -1.0608 -0.8780 0.0925 0.1317 0.1640 0.2326 0.2612 0.3358 0.3649 0.3776 0.4435 0.5059 0.6080 0.6886 0.8242 0.8651 0.9976 1.0959 2.1359 2.2046 3.6611 3.6752 3.7705 3.7815 4.1333 4.1396 4.2568 4.2686 5.0102 5.1330 5.2593 5.3205 5.4501 5.4679 5.8605 5.9760 7.8216 7.8278 8.1003 8.1220 8.1947 8.2238 10.4855 10.5262 10.8872 10.9384 k = 0.2321 0.1656 0.8610 ( 5832 PWs) bands (ev): -7.3917 -7.3866 -6.6637 -6.6614 -6.5566 -6.5502 -6.5186 -6.5161 -1.9263 -1.8795 -1.4275 -1.3645 -1.3632 -1.3284 -1.2119 -1.1697 -1.0619 -0.8756 0.0918 0.1321 0.1643 0.2323 0.2615 0.3362 0.3640 0.3760 0.4440 0.5071 0.6106 0.7007 0.8115 0.8620 0.9977 1.0976 2.1230 2.1933 3.6883 3.7074 3.8089 3.8127 4.1093 4.1187 4.2228 4.2488 5.0039 5.1381 5.2400 5.3177 5.4447 5.4678 5.8618 5.9783 7.8652 7.8760 8.0655 8.0920 8.1927 8.2224 10.4788 10.5198 10.8888 10.9429 k = 0.2500 0.1783 0.8610 ( 5828 PWs) bands (ev): -7.3917 -7.3866 -6.6637 -6.6614 -6.5566 -6.5502 -6.5186 -6.5161 -1.9264 -1.8794 -1.4275 -1.3648 -1.3625 -1.3289 -1.2120 -1.1696 -1.0623 -0.8748 0.0915 0.1322 0.1645 0.2321 0.2616 0.3363 0.3637 0.3755 0.4442 0.5075 0.6115 0.7055 0.8064 0.8610 0.9978 1.0982 2.1187 2.1895 3.6980 3.7195 3.8237 3.8241 4.0962 4.1134 4.2101 4.2425 5.0017 5.1404 5.2328 5.3167 5.4430 5.4677 5.8622 5.9791 7.8839 7.8984 8.0467 8.0763 8.1936 8.2229 10.4766 10.5177 10.8894 10.9444 Writing output data file Hg2GeSe4.save init_run : 5.28s CPU 12.38s WALL ( 1 calls) electrons : 1503.76s CPU 1518.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.30s CPU 1.54s WALL ( 1 calls) Called by electrons: c_bands : 1503.71s CPU 1518.13s WALL ( 1 calls) v_of_rho : 0.07s CPU 1.07s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.06s CPU 0.66s WALL ( 1 calls) newd : 0.37s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.26s WALL ( 272 calls) cegterg : 1436.77s CPU 1448.63s WALL ( 600 calls) Called by sum_band: Called by *egterg: h_psi : 854.31s CPU 866.15s WALL ( 11212 calls) s_psi : 32.10s CPU 32.37s WALL ( 11212 calls) g_psi : 1.48s CPU 1.55s WALL ( 10340 calls) cdiaghg : 383.35s CPU 380.95s WALL ( 10612 calls) cegterg:over : 110.63s CPU 108.88s WALL ( 10340 calls) cegterg:upda : 28.63s CPU 33.15s WALL ( 10340 calls) cegterg:last : 26.02s CPU 26.87s WALL ( 2409 calls) Called by h_psi: h_psi:vloc : 780.03s CPU 787.94s WALL ( 11212 calls) h_psi:vnl : 73.70s CPU 76.91s WALL ( 11212 calls) add_vuspsi : 23.57s CPU 27.07s WALL ( 11212 calls) General routines calbec : 50.07s CPU 49.69s WALL ( 11212 calls) fft : 0.50s CPU 1.23s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 718.29s CPU 724.49s WALL ( 1786480 calls) interpolate : 0.02s CPU 0.03s WALL ( 4 calls) davcio : 0.03s CPU 1.22s WALL ( 544 calls) Parallel routines fft_scatter : 415.70s CPU 408.52s WALL ( 1786503 calls) PWSCF : 26m 8.22s CPU 28m30.40s WALL This run was terminated on: 6: 4:27 28Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=