Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 2:41 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SiO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 74 43 12 1879 825 128 Max 75 44 13 1881 846 130 Sum 2697 1567 449 67703 30013 4631 bravais-lattice index = 14 lattice parameter (alat) = 10.2983 a.u. unit-cell volume = 687.0123 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.298296 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.624923 celldm(5)= -0.551733 celldm(6)= 0.176656 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.176656 0.984273 0.000000 ) a(3) = ( -0.551733 -0.535884 0.639077 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.179479 0.712831 ) b(2) = ( 0.000000 1.015979 0.851926 ) b(3) = ( 0.000000 0.000000 1.564757 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 367 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( -0.0074930 0.0089575 0.0127670), wk = 0.0027248 k( 3) = ( -0.0149860 0.0179151 0.0255339), wk = 0.0027248 k( 4) = ( -0.0224790 0.0268726 0.0383008), wk = 0.0027248 k( 5) = ( -0.0299720 0.0358302 0.0510678), wk = 0.0027248 k( 6) = ( -0.0374649 0.0447877 0.0638347), wk = 0.0027248 k( 7) = ( -0.0449579 0.0537453 0.0766017), wk = 0.0027248 k( 8) = ( -0.0524509 0.0627028 0.0893686), wk = 0.0027248 k( 9) = ( -0.0599439 0.0716604 0.1021356), wk = 0.0027248 k( 10) = ( -0.0674369 0.0806179 0.1149025), wk = 0.0027248 k( 11) = ( -0.0749299 0.0895755 0.1276694), wk = 0.0027248 k( 12) = ( -0.0824229 0.0985330 0.1404364), wk = 0.0027248 k( 13) = ( -0.0899158 0.1074906 0.1532033), wk = 0.0027248 k( 14) = ( -0.0974088 0.1164481 0.1659703), wk = 0.0027248 k( 15) = ( -0.1049018 0.1254056 0.1787372), wk = 0.0027248 k( 16) = ( -0.1123948 0.1343632 0.1915042), wk = 0.0027248 k( 17) = ( -0.1198878 0.1433207 0.2042711), wk = 0.0027248 k( 18) = ( -0.1273808 0.1522783 0.2170381), wk = 0.0027248 k( 19) = ( -0.1348737 0.1612358 0.2298050), wk = 0.0027248 k( 20) = ( -0.1423667 0.1701934 0.2425719), wk = 0.0027248 k( 21) = ( -0.1498597 0.1791509 0.2553389), wk = 0.0027248 k( 22) = ( -0.1573527 0.1881085 0.2681058), wk = 0.0027248 k( 23) = ( -0.1648457 0.1970660 0.2808728), wk = 0.0027248 k( 24) = ( -0.1723387 0.2060236 0.2936397), wk = 0.0027248 k( 25) = ( -0.1798317 0.2149811 0.3064067), wk = 0.0027248 k( 26) = ( -0.1873247 0.2239386 0.3191736), wk = 0.0027248 k( 27) = ( -0.1948176 0.2328962 0.3319406), wk = 0.0027248 k( 28) = ( -0.2023106 0.2418537 0.3447075), wk = 0.0027248 k( 29) = ( -0.2098036 0.2508113 0.3574745), wk = 0.0027248 k( 30) = ( -0.2172966 0.2597688 0.3702414), wk = 0.0027248 k( 31) = ( -0.2247896 0.2687264 0.3830083), wk = 0.0027248 k( 32) = ( -0.2322826 0.2776839 0.3957753), wk = 0.0027248 k( 33) = ( -0.2397756 0.2866415 0.4085422), wk = 0.0027248 k( 34) = ( -0.2472686 0.2955990 0.4213092), wk = 0.0027248 k( 35) = ( -0.2547615 0.3045566 0.4340761), wk = 0.0027248 k( 36) = ( -0.2622545 0.3135141 0.4468431), wk = 0.0027248 k( 37) = ( -0.2697475 0.3224716 0.4596100), wk = 0.0027248 k( 38) = ( -0.2772405 0.3314292 0.4723769), wk = 0.0027248 k( 39) = ( -0.2847335 0.3403867 0.4851439), wk = 0.0027248 k( 40) = ( -0.2922265 0.3493443 0.4979108), wk = 0.0027248 k( 41) = ( -0.2997194 0.3583018 0.5106778), wk = 0.0027248 k( 42) = ( -0.3072124 0.3672594 0.5234447), wk = 0.0027248 k( 43) = ( -0.3147054 0.3762169 0.5362117), wk = 0.0027248 k( 44) = ( -0.3221984 0.3851745 0.5489786), wk = 0.0027248 k( 45) = ( -0.3296914 0.3941320 0.5617456), wk = 0.0027248 k( 46) = ( -0.3296914 0.3941320 0.5617456), wk = 0.0027248 k( 47) = ( -0.3215462 0.3843948 0.5733578), wk = 0.0027248 k( 48) = ( -0.3134011 0.3746576 0.5849701), wk = 0.0027248 k( 49) = ( -0.3052559 0.3649204 0.5965824), wk = 0.0027248 k( 50) = ( -0.2971107 0.3551832 0.6081947), wk = 0.0027248 k( 51) = ( -0.2889655 0.3454459 0.6198069), wk = 0.0027248 k( 52) = ( -0.2808203 0.3357087 0.6314192), wk = 0.0027248 k( 53) = ( -0.2726752 0.3259715 0.6430315), wk = 0.0027248 k( 54) = ( -0.2645300 0.3162343 0.6546437), wk = 0.0027248 k( 55) = ( -0.2563848 0.3064971 0.6662560), wk = 0.0027248 k( 56) = ( -0.2482396 0.2967599 0.6778683), wk = 0.0027248 k( 57) = ( -0.2400944 0.2870227 0.6894805), wk = 0.0027248 k( 58) = ( -0.2319493 0.2772855 0.7010928), wk = 0.0027248 k( 59) = ( -0.2238041 0.2675483 0.7127051), wk = 0.0027248 k( 60) = ( -0.2156589 0.2578110 0.7243174), wk = 0.0027248 k( 61) = ( -0.2075137 0.2480738 0.7359296), wk = 0.0027248 k( 62) = ( -0.1993686 0.2383366 0.7475419), wk = 0.0027248 k( 63) = ( -0.1912234 0.2285994 0.7591542), wk = 0.0027248 k( 64) = ( -0.1830782 0.2188622 0.7707664), wk = 0.0027248 k( 65) = ( -0.1749330 0.2091250 0.7823787), wk = 0.0027248 k( 66) = ( -0.1749330 0.2091250 0.7823787), wk = 0.0027248 k( 67) = ( -0.1639997 0.1960547 0.7823787), wk = 0.0027248 k( 68) = ( -0.1530664 0.1829844 0.7823787), wk = 0.0027248 k( 69) = ( -0.1421331 0.1699140 0.7823787), wk = 0.0027248 k( 70) = ( -0.1311998 0.1568437 0.7823787), wk = 0.0027248 k( 71) = ( -0.1202665 0.1437734 0.7823787), wk = 0.0027248 k( 72) = ( -0.1093332 0.1307031 0.7823787), wk = 0.0027248 k( 73) = ( -0.0983998 0.1176328 0.7823787), wk = 0.0027248 k( 74) = ( -0.0874665 0.1045625 0.7823787), wk = 0.0027248 k( 75) = ( -0.0765332 0.0914922 0.7823787), wk = 0.0027248 k( 76) = ( -0.0655999 0.0784219 0.7823787), wk = 0.0027248 k( 77) = ( -0.0546666 0.0653516 0.7823787), wk = 0.0027248 k( 78) = ( -0.0437333 0.0522812 0.7823787), wk = 0.0027248 k( 79) = ( -0.0327999 0.0392109 0.7823787), wk = 0.0027248 k( 80) = ( -0.0218666 0.0261406 0.7823787), wk = 0.0027248 k( 81) = ( -0.0109333 0.0130703 0.7823787), wk = 0.0027248 k( 82) = ( 0.0000000 0.0000000 0.7823787), wk = 0.0027248 k( 83) = ( 0.0000000 0.0000000 0.7823787), wk = 0.0027248 k( 84) = ( 0.0131579 0.0110066 0.7823787), wk = 0.0027248 k( 85) = ( 0.0263158 0.0220132 0.7823787), wk = 0.0027248 k( 86) = ( 0.0394737 0.0330197 0.7823787), wk = 0.0027248 k( 87) = ( 0.0526316 0.0440263 0.7823787), wk = 0.0027248 k( 88) = ( 0.0657895 0.0550329 0.7823787), wk = 0.0027248 k( 89) = ( 0.0789474 0.0660395 0.7823787), wk = 0.0027248 k( 90) = ( 0.0921053 0.0770460 0.7823787), wk = 0.0027248 k( 91) = ( 0.1052632 0.0880526 0.7823787), wk = 0.0027248 k( 92) = ( 0.1184210 0.0990592 0.7823787), wk = 0.0027248 k( 93) = ( 0.1315790 0.1100658 0.7823787), wk = 0.0027248 k( 94) = ( 0.1447368 0.1210724 0.7823787), wk = 0.0027248 k( 95) = ( 0.1578947 0.1320789 0.7823787), wk = 0.0027248 k( 96) = ( 0.1710526 0.1430855 0.7823787), wk = 0.0027248 k( 97) = ( 0.1842105 0.1540921 0.7823787), wk = 0.0027248 k( 98) = ( 0.1973684 0.1650987 0.7823787), wk = 0.0027248 k( 99) = ( 0.2105263 0.1761053 0.7823787), wk = 0.0027248 k( 100) = ( 0.2236842 0.1871118 0.7823787), wk = 0.0027248 k( 101) = ( 0.2368421 0.1981184 0.7823787), wk = 0.0027248 k( 102) = ( 0.2500000 0.2091250 0.7823787), wk = 0.0027248 k( 103) = ( 0.2500000 0.2091250 0.7823787), wk = 0.0027248 k( 104) = ( 0.2419355 0.2187658 0.7708814), wk = 0.0027248 k( 105) = ( 0.2338710 0.2284066 0.7593842), wk = 0.0027248 k( 106) = ( 0.2258064 0.2380473 0.7478869), wk = 0.0027248 k( 107) = ( 0.2177419 0.2476881 0.7363896), wk = 0.0027248 k( 108) = ( 0.2096774 0.2573289 0.7248923), wk = 0.0027248 k( 109) = ( 0.2016129 0.2669697 0.7133950), wk = 0.0027248 k( 110) = ( 0.1935484 0.2766105 0.7018978), wk = 0.0027248 k( 111) = ( 0.1854839 0.2862513 0.6904005), wk = 0.0027248 k( 112) = ( 0.1774194 0.2958921 0.6789032), wk = 0.0027248 k( 113) = ( 0.1693548 0.3055328 0.6674060), wk = 0.0027248 k( 114) = ( 0.1612903 0.3151736 0.6559087), wk = 0.0027248 k( 115) = ( 0.1532258 0.3248144 0.6444114), wk = 0.0027248 k( 116) = ( 0.1451613 0.3344552 0.6329141), wk = 0.0027248 k( 117) = ( 0.1370968 0.3440960 0.6214168), wk = 0.0027248 k( 118) = ( 0.1290323 0.3537368 0.6099196), wk = 0.0027248 k( 119) = ( 0.1209677 0.3633775 0.5984223), wk = 0.0027248 k( 120) = ( 0.1129032 0.3730183 0.5869250), wk = 0.0027248 k( 121) = ( 0.1048387 0.3826591 0.5754277), wk = 0.0027248 k( 122) = ( 0.0967742 0.3922999 0.5639305), wk = 0.0027248 k( 123) = ( 0.0887097 0.4019407 0.5524332), wk = 0.0027248 k( 124) = ( 0.0806452 0.4115815 0.5409359), wk = 0.0027248 k( 125) = ( 0.0725806 0.4212223 0.5294386), wk = 0.0027248 k( 126) = ( 0.0645161 0.4308630 0.5179414), wk = 0.0027248 k( 127) = ( 0.0564516 0.4405038 0.5064441), wk = 0.0027248 k( 128) = ( 0.0483871 0.4501446 0.4949468), wk = 0.0027248 k( 129) = ( 0.0403226 0.4597854 0.4834495), wk = 0.0027248 k( 130) = ( 0.0322581 0.4694262 0.4719523), wk = 0.0027248 k( 131) = ( 0.0241936 0.4790670 0.4604550), wk = 0.0027248 k( 132) = ( 0.0161290 0.4887078 0.4489577), wk = 0.0027248 k( 133) = ( 0.0080645 0.4983485 0.4374604), wk = 0.0027248 k( 134) = ( 0.0000000 0.5079893 0.4259632), wk = 0.0027248 k( 135) = ( 0.0000000 0.5079893 0.4259632), wk = 0.0027248 k( 136) = ( 0.0149860 0.5131647 0.4197912), wk = 0.0027248 k( 137) = ( 0.0299720 0.5183400 0.4136193), wk = 0.0027248 k( 138) = ( 0.0449579 0.5235153 0.4074474), wk = 0.0027248 k( 139) = ( 0.0599439 0.5286907 0.4012755), wk = 0.0027248 k( 140) = ( 0.0749299 0.5338660 0.3951035), wk = 0.0027248 k( 141) = ( 0.0899158 0.5390413 0.3889316), wk = 0.0027248 k( 142) = ( 0.1049018 0.5442166 0.3827597), wk = 0.0027248 k( 143) = ( 0.1198878 0.5493920 0.3765877), wk = 0.0027248 k( 144) = ( 0.1348737 0.5545673 0.3704158), wk = 0.0027248 k( 145) = ( 0.1498597 0.5597426 0.3642439), wk = 0.0027248 k( 146) = ( 0.1648457 0.5649180 0.3580720), wk = 0.0027248 k( 147) = ( 0.1798317 0.5700933 0.3519000), wk = 0.0027248 k( 148) = ( 0.1948176 0.5752686 0.3457281), wk = 0.0027248 k( 149) = ( 0.2098036 0.5804440 0.3395562), wk = 0.0027248 k( 150) = ( 0.2247896 0.5856193 0.3333843), wk = 0.0027248 k( 151) = ( 0.2397756 0.5907946 0.3272123), wk = 0.0027248 k( 152) = ( 0.2547615 0.5959700 0.3210404), wk = 0.0027248 k( 153) = ( 0.2697475 0.6011453 0.3148685), wk = 0.0027248 k( 154) = ( 0.2847335 0.6063206 0.3086965), wk = 0.0027248 k( 155) = ( 0.2997194 0.6114960 0.3025246), wk = 0.0027248 k( 156) = ( 0.3147054 0.6166713 0.2963527), wk = 0.0027248 k( 157) = ( 0.3296914 0.6218466 0.2901808), wk = 0.0027248 k( 158) = ( 0.3296914 0.6218466 0.2901808), wk = 0.0027248 k( 159) = ( 0.3370961 0.6129946 0.2775642), wk = 0.0027248 k( 160) = ( 0.3445008 0.6041426 0.2649477), wk = 0.0027248 k( 161) = ( 0.3519056 0.5952906 0.2523311), wk = 0.0027248 k( 162) = ( 0.3593103 0.5864385 0.2397145), wk = 0.0027248 k( 163) = ( 0.3667150 0.5775865 0.2270980), wk = 0.0027248 k( 164) = ( 0.3741197 0.5687345 0.2144814), wk = 0.0027248 k( 165) = ( 0.3815245 0.5598824 0.2018649), wk = 0.0027248 k( 166) = ( 0.3889292 0.5510304 0.1892483), wk = 0.0027248 k( 167) = ( 0.3963339 0.5421784 0.1766318), wk = 0.0027248 k( 168) = ( 0.4037386 0.5333263 0.1640152), wk = 0.0027248 k( 169) = ( 0.4111433 0.5244743 0.1513987), wk = 0.0027248 k( 170) = ( 0.4185481 0.5156223 0.1387821), wk = 0.0027248 k( 171) = ( 0.4259528 0.5067703 0.1261656), wk = 0.0027248 k( 172) = ( 0.4333575 0.4979182 0.1135490), wk = 0.0027248 k( 173) = ( 0.4407622 0.4890662 0.1009324), wk = 0.0027248 k( 174) = ( 0.4481670 0.4802142 0.0883159), wk = 0.0027248 k( 175) = ( 0.4555717 0.4713621 0.0756993), wk = 0.0027248 k( 176) = ( 0.4629764 0.4625101 0.0630828), wk = 0.0027248 k( 177) = ( 0.4703811 0.4536581 0.0504662), wk = 0.0027248 k( 178) = ( 0.4777858 0.4448061 0.0378497), wk = 0.0027248 k( 179) = ( 0.4851906 0.4359540 0.0252331), wk = 0.0027248 k( 180) = ( 0.4925953 0.4271020 0.0126166), wk = 0.0027248 k( 181) = ( 0.5000000 0.4182500 0.0000000), wk = 0.0027248 k( 182) = ( 0.5000000 0.4182500 0.0000000), wk = 0.0027248 k( 183) = ( 0.4868421 0.4072434 0.0000000), wk = 0.0027248 k( 184) = ( 0.4736842 0.3962368 0.0000000), wk = 0.0027248 k( 185) = ( 0.4605263 0.3852302 0.0000000), wk = 0.0027248 k( 186) = ( 0.4473684 0.3742237 0.0000000), wk = 0.0027248 k( 187) = ( 0.4342105 0.3632171 0.0000000), wk = 0.0027248 k( 188) = ( 0.4210526 0.3522105 0.0000000), wk = 0.0027248 k( 189) = ( 0.4078947 0.3412039 0.0000000), wk = 0.0027248 k( 190) = ( 0.3947368 0.3301973 0.0000000), wk = 0.0027248 k( 191) = ( 0.3815789 0.3191908 0.0000000), wk = 0.0027248 k( 192) = ( 0.3684211 0.3081842 0.0000000), wk = 0.0027248 k( 193) = ( 0.3552632 0.2971776 0.0000000), wk = 0.0027248 k( 194) = ( 0.3421053 0.2861710 0.0000000), wk = 0.0027248 k( 195) = ( 0.3289474 0.2751645 0.0000000), wk = 0.0027248 k( 196) = ( 0.3157895 0.2641579 0.0000000), wk = 0.0027248 k( 197) = ( 0.3026316 0.2531513 0.0000000), wk = 0.0027248 k( 198) = ( 0.2894737 0.2421447 0.0000000), wk = 0.0027248 k( 199) = ( 0.2763158 0.2311381 0.0000000), wk = 0.0027248 k( 200) = ( 0.2631579 0.2201316 0.0000000), wk = 0.0027248 k( 201) = ( 0.2500000 0.2091250 0.0000000), wk = 0.0027248 k( 202) = ( 0.2368421 0.1981184 0.0000000), wk = 0.0027248 k( 203) = ( 0.2236842 0.1871118 0.0000000), wk = 0.0027248 k( 204) = ( 0.2105263 0.1761053 0.0000000), wk = 0.0027248 k( 205) = ( 0.1973684 0.1650987 0.0000000), wk = 0.0027248 k( 206) = ( 0.1842105 0.1540921 0.0000000), wk = 0.0027248 k( 207) = ( 0.1710526 0.1430855 0.0000000), wk = 0.0027248 k( 208) = ( 0.1578947 0.1320789 0.0000000), wk = 0.0027248 k( 209) = ( 0.1447368 0.1210724 0.0000000), wk = 0.0027248 k( 210) = ( 0.1315790 0.1100658 0.0000000), wk = 0.0027248 k( 211) = ( 0.1184210 0.0990592 0.0000000), wk = 0.0027248 k( 212) = ( 0.1052632 0.0880526 0.0000000), wk = 0.0027248 k( 213) = ( 0.0921053 0.0770460 0.0000000), wk = 0.0027248 k( 214) = ( 0.0789474 0.0660395 0.0000000), wk = 0.0027248 k( 215) = ( 0.0657895 0.0550329 0.0000000), wk = 0.0027248 k( 216) = ( 0.0526316 0.0440263 0.0000000), wk = 0.0027248 k( 217) = ( 0.0394737 0.0330197 0.0000000), wk = 0.0027248 k( 218) = ( 0.0263158 0.0220132 0.0000000), wk = 0.0027248 k( 219) = ( 0.0131579 0.0110066 0.0000000), wk = 0.0027248 k( 220) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 222) = ( 0.0080289 -0.0095982 0.0114465), wk = 0.0027248 k( 223) = ( 0.0160577 -0.0191964 0.0228929), wk = 0.0027248 k( 224) = ( 0.0240866 -0.0287945 0.0343394), wk = 0.0027248 k( 225) = ( 0.0321155 -0.0383927 0.0457859), wk = 0.0027248 k( 226) = ( 0.0401444 -0.0479909 0.0572323), wk = 0.0027248 k( 227) = ( 0.0481733 -0.0575891 0.0686788), wk = 0.0027248 k( 228) = ( 0.0562021 -0.0671872 0.0801253), wk = 0.0027248 k( 229) = ( 0.0642310 -0.0767854 0.0915717), wk = 0.0027248 k( 230) = ( 0.0722599 -0.0863836 0.1030182), wk = 0.0027248 k( 231) = ( 0.0802888 -0.0959818 0.1144646), wk = 0.0027248 k( 232) = ( 0.0883176 -0.1055800 0.1259111), wk = 0.0027248 k( 233) = ( 0.0963465 -0.1151781 0.1373576), wk = 0.0027248 k( 234) = ( 0.1043754 -0.1247763 0.1488040), wk = 0.0027248 k( 235) = ( 0.1124042 -0.1343745 0.1602505), wk = 0.0027248 k( 236) = ( 0.1204331 -0.1439727 0.1716970), wk = 0.0027248 k( 237) = ( 0.1284620 -0.1535708 0.1831434), wk = 0.0027248 k( 238) = ( 0.1364909 -0.1631690 0.1945899), wk = 0.0027248 k( 239) = ( 0.1445198 -0.1727672 0.2060364), wk = 0.0027248 k( 240) = ( 0.1525486 -0.1823654 0.2174828), wk = 0.0027248 k( 241) = ( 0.1605775 -0.1919636 0.2289293), wk = 0.0027248 k( 242) = ( 0.1686064 -0.2015617 0.2403757), wk = 0.0027248 k( 243) = ( 0.1766353 -0.2111599 0.2518222), wk = 0.0027248 k( 244) = ( 0.1846641 -0.2207581 0.2632687), wk = 0.0027248 k( 245) = ( 0.1926930 -0.2303563 0.2747151), wk = 0.0027248 k( 246) = ( 0.2007219 -0.2399544 0.2861616), wk = 0.0027248 k( 247) = ( 0.2087508 -0.2495526 0.2976081), wk = 0.0027248 k( 248) = ( 0.2167796 -0.2591508 0.3090545), wk = 0.0027248 k( 249) = ( 0.2248085 -0.2687490 0.3205010), wk = 0.0027248 k( 250) = ( 0.2328374 -0.2783472 0.3319474), wk = 0.0027248 k( 251) = ( 0.2408663 -0.2879453 0.3433939), wk = 0.0027248 k( 252) = ( 0.2488951 -0.2975435 0.3548404), wk = 0.0027248 k( 253) = ( 0.2569240 -0.3071417 0.3662868), wk = 0.0027248 k( 254) = ( 0.2649529 -0.3167399 0.3777333), wk = 0.0027248 k( 255) = ( 0.2729818 -0.3263381 0.3891798), wk = 0.0027248 k( 256) = ( 0.2810106 -0.3359362 0.4006262), wk = 0.0027248 k( 257) = ( 0.2890395 -0.3455344 0.4120727), wk = 0.0027248 k( 258) = ( 0.2970684 -0.3551326 0.4235192), wk = 0.0027248 k( 259) = ( 0.3050973 -0.3647308 0.4349656), wk = 0.0027248 k( 260) = ( 0.3131261 -0.3743289 0.4464121), wk = 0.0027248 k( 261) = ( 0.3211550 -0.3839271 0.4578586), wk = 0.0027248 k( 262) = ( 0.3291839 -0.3935253 0.4693050), wk = 0.0027248 k( 263) = ( 0.3372128 -0.4031235 0.4807515), wk = 0.0027248 k( 264) = ( 0.3452416 -0.4127217 0.4921979), wk = 0.0027248 k( 265) = ( 0.3452416 -0.4127217 0.4921979), wk = 0.0027248 k( 266) = ( 0.3519703 -0.3986789 0.4862944), wk = 0.0027248 k( 267) = ( 0.3586989 -0.3846362 0.4803908), wk = 0.0027248 k( 268) = ( 0.3654275 -0.3705935 0.4744872), wk = 0.0027248 k( 269) = ( 0.3721561 -0.3565508 0.4685836), wk = 0.0027248 k( 270) = ( 0.3788848 -0.3425081 0.4626800), wk = 0.0027248 k( 271) = ( 0.3856134 -0.3284654 0.4567764), wk = 0.0027248 k( 272) = ( 0.3923420 -0.3144227 0.4508729), wk = 0.0027248 k( 273) = ( 0.3990706 -0.3003800 0.4449693), wk = 0.0027248 k( 274) = ( 0.4057993 -0.2863373 0.4390657), wk = 0.0027248 k( 275) = ( 0.4125279 -0.2722946 0.4331621), wk = 0.0027248 k( 276) = ( 0.4192565 -0.2582519 0.4272585), wk = 0.0027248 k( 277) = ( 0.4259851 -0.2442092 0.4213550), wk = 0.0027248 k( 278) = ( 0.4327138 -0.2301664 0.4154514), wk = 0.0027248 k( 279) = ( 0.4394424 -0.2161237 0.4095478), wk = 0.0027248 k( 280) = ( 0.4461710 -0.2020810 0.4036442), wk = 0.0027248 k( 281) = ( 0.4528996 -0.1880383 0.3977406), wk = 0.0027248 k( 282) = ( 0.4596283 -0.1739956 0.3918370), wk = 0.0027248 k( 283) = ( 0.4663569 -0.1599529 0.3859335), wk = 0.0027248 k( 284) = ( 0.4730855 -0.1459102 0.3800299), wk = 0.0027248 k( 285) = ( 0.4798141 -0.1318675 0.3741263), wk = 0.0027248 k( 286) = ( 0.4865428 -0.1178248 0.3682227), wk = 0.0027248 k( 287) = ( 0.4932714 -0.1037821 0.3623191), wk = 0.0027248 k( 288) = ( 0.5000000 -0.0897394 0.3564155), wk = 0.0027248 k( 289) = ( 0.5000000 -0.0897394 0.3564155), wk = 0.0027248 k( 290) = ( 0.4926471 -0.0809492 0.3689439), wk = 0.0027248 k( 291) = ( 0.4852941 -0.0721591 0.3814722), wk = 0.0027248 k( 292) = ( 0.4779412 -0.0633690 0.3940005), wk = 0.0027248 k( 293) = ( 0.4705882 -0.0545788 0.4065288), wk = 0.0027248 k( 294) = ( 0.4632353 -0.0457887 0.4190572), wk = 0.0027248 k( 295) = ( 0.4558823 -0.0369986 0.4315855), wk = 0.0027248 k( 296) = ( 0.4485294 -0.0282085 0.4441138), wk = 0.0027248 k( 297) = ( 0.4411765 -0.0194183 0.4566422), wk = 0.0027248 k( 298) = ( 0.4338235 -0.0106282 0.4691705), wk = 0.0027248 k( 299) = ( 0.4264706 -0.0018381 0.4816988), wk = 0.0027248 k( 300) = ( 0.4191177 0.0069520 0.4942272), wk = 0.0027248 k( 301) = ( 0.4117647 0.0157422 0.5067555), wk = 0.0027248 k( 302) = ( 0.4044118 0.0245323 0.5192838), wk = 0.0027248 k( 303) = ( 0.3970588 0.0333224 0.5318121), wk = 0.0027248 k( 304) = ( 0.3897059 0.0421126 0.5443405), wk = 0.0027248 k( 305) = ( 0.3823529 0.0509027 0.5568688), wk = 0.0027248 k( 306) = ( 0.3750000 0.0596928 0.5693971), wk = 0.0027248 k( 307) = ( 0.3676471 0.0684829 0.5819255), wk = 0.0027248 k( 308) = ( 0.3602941 0.0772731 0.5944538), wk = 0.0027248 k( 309) = ( 0.3529412 0.0860632 0.6069821), wk = 0.0027248 k( 310) = ( 0.3455882 0.0948533 0.6195104), wk = 0.0027248 k( 311) = ( 0.3382353 0.1036435 0.6320388), wk = 0.0027248 k( 312) = ( 0.3308823 0.1124336 0.6445671), wk = 0.0027248 k( 313) = ( 0.3235294 0.1212237 0.6570954), wk = 0.0027248 k( 314) = ( 0.3161765 0.1300138 0.6696238), wk = 0.0027248 k( 315) = ( 0.3088235 0.1388040 0.6821521), wk = 0.0027248 k( 316) = ( 0.3014706 0.1475941 0.6946804), wk = 0.0027248 k( 317) = ( 0.2941177 0.1563842 0.7072087), wk = 0.0027248 k( 318) = ( 0.2867647 0.1651743 0.7197371), wk = 0.0027248 k( 319) = ( 0.2794118 0.1739645 0.7322654), wk = 0.0027248 k( 320) = ( 0.2720588 0.1827546 0.7447937), wk = 0.0027248 k( 321) = ( 0.2647059 0.1915447 0.7573221), wk = 0.0027248 k( 322) = ( 0.2573529 0.2003349 0.7698504), wk = 0.0027248 k( 323) = ( 0.2500000 0.2091250 0.7823787), wk = 0.0027248 k( 324) = ( 0.1749330 -0.2091250 0.7823787), wk = 0.0027248 k( 325) = ( 0.1823378 -0.2179770 0.7697622), wk = 0.0027248 k( 326) = ( 0.1897425 -0.2268290 0.7571456), wk = 0.0027248 k( 327) = ( 0.1971472 -0.2356811 0.7445290), wk = 0.0027248 k( 328) = ( 0.2045519 -0.2445331 0.7319125), wk = 0.0027248 k( 329) = ( 0.2119566 -0.2533851 0.7192959), wk = 0.0027248 k( 330) = ( 0.2193614 -0.2622372 0.7066794), wk = 0.0027248 k( 331) = ( 0.2267661 -0.2710892 0.6940628), wk = 0.0027248 k( 332) = ( 0.2341708 -0.2799412 0.6814463), wk = 0.0027248 k( 333) = ( 0.2415755 -0.2887932 0.6688297), wk = 0.0027248 k( 334) = ( 0.2489803 -0.2976453 0.6562132), wk = 0.0027248 k( 335) = ( 0.2563850 -0.3064973 0.6435966), wk = 0.0027248 k( 336) = ( 0.2637897 -0.3153493 0.6309801), wk = 0.0027248 k( 337) = ( 0.2711944 -0.3242014 0.6183635), wk = 0.0027248 k( 338) = ( 0.2785991 -0.3330534 0.6057469), wk = 0.0027248 k( 339) = ( 0.2860039 -0.3419054 0.5931304), wk = 0.0027248 k( 340) = ( 0.2934086 -0.3507575 0.5805138), wk = 0.0027248 k( 341) = ( 0.3008133 -0.3596095 0.5678973), wk = 0.0027248 k( 342) = ( 0.3082180 -0.3684615 0.5552807), wk = 0.0027248 k( 343) = ( 0.3156228 -0.3773135 0.5426642), wk = 0.0027248 k( 344) = ( 0.3230275 -0.3861656 0.5300476), wk = 0.0027248 k( 345) = ( 0.3304322 -0.3950176 0.5174311), wk = 0.0027248 k( 346) = ( 0.3378369 -0.4038696 0.5048145), wk = 0.0027248 k( 347) = ( 0.3452416 -0.4127217 0.4921979), wk = 0.0027248 k( 348) = ( 0.6547584 0.2332430 0.2206331), wk = 0.0027248 k( 349) = ( 0.6466132 0.2429802 0.2090209), wk = 0.0027248 k( 350) = ( 0.6384680 0.2527174 0.1974086), wk = 0.0027248 k( 351) = ( 0.6303228 0.2624546 0.1857963), wk = 0.0027248 k( 352) = ( 0.6221777 0.2721918 0.1741841), wk = 0.0027248 k( 353) = ( 0.6140325 0.2819290 0.1625718), wk = 0.0027248 k( 354) = ( 0.6058873 0.2916662 0.1509595), wk = 0.0027248 k( 355) = ( 0.5977421 0.3014034 0.1393472), wk = 0.0027248 k( 356) = ( 0.5895970 0.3111406 0.1277350), wk = 0.0027248 k( 357) = ( 0.5814518 0.3208779 0.1161227), wk = 0.0027248 k( 358) = ( 0.5733066 0.3306151 0.1045104), wk = 0.0027248 k( 359) = ( 0.5651614 0.3403523 0.0928982), wk = 0.0027248 k( 360) = ( 0.5570162 0.3500895 0.0812859), wk = 0.0027248 k( 361) = ( 0.5488711 0.3598267 0.0696736), wk = 0.0027248 k( 362) = ( 0.5407259 0.3695639 0.0580613), wk = 0.0027248 k( 363) = ( 0.5325807 0.3793011 0.0464491), wk = 0.0027248 k( 364) = ( 0.5244355 0.3890383 0.0348368), wk = 0.0027248 k( 365) = ( 0.5162904 0.3987756 0.0232245), wk = 0.0027248 k( 366) = ( 0.5081452 0.4085128 0.0116123), wk = 0.0027248 k( 367) = ( 0.5000000 0.4182500 0.0000000), wk = 0.0027248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( -0.0074930 0.0074930 0.0074930), wk = 0.0027248 k( 3) = ( -0.0149860 0.0149860 0.0149860), wk = 0.0027248 k( 4) = ( -0.0224790 0.0224790 0.0224790), wk = 0.0027248 k( 5) = ( -0.0299720 0.0299719 0.0299720), wk = 0.0027248 k( 6) = ( -0.0374649 0.0374649 0.0374649), wk = 0.0027248 k( 7) = ( -0.0449579 0.0449579 0.0449579), wk = 0.0027248 k( 8) = ( -0.0524509 0.0524509 0.0524509), wk = 0.0027248 k( 9) = ( -0.0599439 0.0599439 0.0599439), wk = 0.0027248 k( 10) = ( -0.0674369 0.0674369 0.0674369), wk = 0.0027248 k( 11) = ( -0.0749299 0.0749299 0.0749299), wk = 0.0027248 k( 12) = ( -0.0824229 0.0824229 0.0824228), wk = 0.0027248 k( 13) = ( -0.0899158 0.0899158 0.0899158), wk = 0.0027248 k( 14) = ( -0.0974088 0.0974088 0.0974088), wk = 0.0027248 k( 15) = ( -0.1049018 0.1049018 0.1049018), wk = 0.0027248 k( 16) = ( -0.1123948 0.1123948 0.1123948), wk = 0.0027248 k( 17) = ( -0.1198878 0.1198878 0.1198878), wk = 0.0027248 k( 18) = ( -0.1273808 0.1273808 0.1273808), wk = 0.0027248 k( 19) = ( -0.1348737 0.1348737 0.1348737), wk = 0.0027248 k( 20) = ( -0.1423667 0.1423667 0.1423667), wk = 0.0027248 k( 21) = ( -0.1498597 0.1498597 0.1498597), wk = 0.0027248 k( 22) = ( -0.1573527 0.1573527 0.1573527), wk = 0.0027248 k( 23) = ( -0.1648457 0.1648457 0.1648457), wk = 0.0027248 k( 24) = ( -0.1723387 0.1723387 0.1723387), wk = 0.0027248 k( 25) = ( -0.1798317 0.1798317 0.1798317), wk = 0.0027248 k( 26) = ( -0.1873247 0.1873247 0.1873247), wk = 0.0027248 k( 27) = ( -0.1948176 0.1948176 0.1948176), wk = 0.0027248 k( 28) = ( -0.2023106 0.2023106 0.2023106), wk = 0.0027248 k( 29) = ( -0.2098036 0.2098036 0.2098036), wk = 0.0027248 k( 30) = ( -0.2172966 0.2172966 0.2172966), wk = 0.0027248 k( 31) = ( -0.2247896 0.2247896 0.2247896), wk = 0.0027248 k( 32) = ( -0.2322826 0.2322826 0.2322826), wk = 0.0027248 k( 33) = ( -0.2397756 0.2397756 0.2397756), wk = 0.0027248 k( 34) = ( -0.2472686 0.2472686 0.2472686), wk = 0.0027248 k( 35) = ( -0.2547615 0.2547615 0.2547615), wk = 0.0027248 k( 36) = ( -0.2622545 0.2622545 0.2622545), wk = 0.0027248 k( 37) = ( -0.2697475 0.2697475 0.2697475), wk = 0.0027248 k( 38) = ( -0.2772405 0.2772405 0.2772405), wk = 0.0027248 k( 39) = ( -0.2847335 0.2847335 0.2847335), wk = 0.0027248 k( 40) = ( -0.2922265 0.2922265 0.2922265), wk = 0.0027248 k( 41) = ( -0.2997194 0.2997194 0.2997194), wk = 0.0027248 k( 42) = ( -0.3072124 0.3072124 0.3072124), wk = 0.0027248 k( 43) = ( -0.3147054 0.3147054 0.3147054), wk = 0.0027248 k( 44) = ( -0.3221984 0.3221984 0.3221984), wk = 0.0027248 k( 45) = ( -0.3296914 0.3296914 0.3296914), wk = 0.0027248 k( 46) = ( -0.3296914 0.3296914 0.3296914), wk = 0.0027248 k( 47) = ( -0.3215462 0.3215462 0.3378366), wk = 0.0027248 k( 48) = ( -0.3134011 0.3134010 0.3459817), wk = 0.0027248 k( 49) = ( -0.3052559 0.3052559 0.3541269), wk = 0.0027248 k( 50) = ( -0.2971107 0.2971107 0.3622721), wk = 0.0027248 k( 51) = ( -0.2889655 0.2889655 0.3704173), wk = 0.0027248 k( 52) = ( -0.2808203 0.2808203 0.3785625), wk = 0.0027248 k( 53) = ( -0.2726752 0.2726752 0.3867076), wk = 0.0027248 k( 54) = ( -0.2645300 0.2645300 0.3948528), wk = 0.0027248 k( 55) = ( -0.2563848 0.2563848 0.4029980), wk = 0.0027248 k( 56) = ( -0.2482396 0.2482396 0.4111432), wk = 0.0027248 k( 57) = ( -0.2400944 0.2400945 0.4192883), wk = 0.0027248 k( 58) = ( -0.2319493 0.2319493 0.4274335), wk = 0.0027248 k( 59) = ( -0.2238041 0.2238041 0.4355787), wk = 0.0027248 k( 60) = ( -0.2156589 0.2156589 0.4437239), wk = 0.0027248 k( 61) = ( -0.2075137 0.2075137 0.4518690), wk = 0.0027248 k( 62) = ( -0.1993686 0.1993686 0.4600142), wk = 0.0027248 k( 63) = ( -0.1912234 0.1912234 0.4681594), wk = 0.0027248 k( 64) = ( -0.1830782 0.1830782 0.4763046), wk = 0.0027248 k( 65) = ( -0.1749330 0.1749330 0.4844498), wk = 0.0027248 k( 66) = ( -0.1749330 0.1749330 0.4844498), wk = 0.0027248 k( 67) = ( -0.1639997 0.1639997 0.4854216), wk = 0.0027248 k( 68) = ( -0.1530664 0.1530664 0.4863935), wk = 0.0027248 k( 69) = ( -0.1421331 0.1421331 0.4873654), wk = 0.0027248 k( 70) = ( -0.1311998 0.1311998 0.4883373), wk = 0.0027248 k( 71) = ( -0.1202665 0.1202665 0.4893092), wk = 0.0027248 k( 72) = ( -0.1093332 0.1093331 0.4902811), wk = 0.0027248 k( 73) = ( -0.0983998 0.0983998 0.4912530), wk = 0.0027248 k( 74) = ( -0.0874665 0.0874665 0.4922249), wk = 0.0027248 k( 75) = ( -0.0765332 0.0765332 0.4931968), wk = 0.0027248 k( 76) = ( -0.0655999 0.0655999 0.4941687), wk = 0.0027248 k( 77) = ( -0.0546666 0.0546666 0.4951406), wk = 0.0027248 k( 78) = ( -0.0437333 0.0437333 0.4961124), wk = 0.0027248 k( 79) = ( -0.0327999 0.0327999 0.4970843), wk = 0.0027248 k( 80) = ( -0.0218666 0.0218666 0.4980562), wk = 0.0027248 k( 81) = ( -0.0109333 0.0109333 0.4990281), wk = 0.0027248 k( 82) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 83) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 84) = ( 0.0131579 0.0131579 0.4868421), wk = 0.0027248 k( 85) = ( 0.0263158 0.0263158 0.4736842), wk = 0.0027248 k( 86) = ( 0.0394737 0.0394737 0.4605263), wk = 0.0027248 k( 87) = ( 0.0526316 0.0526316 0.4473684), wk = 0.0027248 k( 88) = ( 0.0657895 0.0657895 0.4342105), wk = 0.0027248 k( 89) = ( 0.0789474 0.0789474 0.4210526), wk = 0.0027248 k( 90) = ( 0.0921053 0.0921053 0.4078947), wk = 0.0027248 k( 91) = ( 0.1052632 0.1052632 0.3947368), wk = 0.0027248 k( 92) = ( 0.1184210 0.1184210 0.3815790), wk = 0.0027248 k( 93) = ( 0.1315790 0.1315790 0.3684211), wk = 0.0027248 k( 94) = ( 0.1447368 0.1447368 0.3552632), wk = 0.0027248 k( 95) = ( 0.1578947 0.1578947 0.3421053), wk = 0.0027248 k( 96) = ( 0.1710526 0.1710526 0.3289474), wk = 0.0027248 k( 97) = ( 0.1842105 0.1842105 0.3157895), wk = 0.0027248 k( 98) = ( 0.1973684 0.1973684 0.3026316), wk = 0.0027248 k( 99) = ( 0.2105263 0.2105263 0.2894737), wk = 0.0027248 k( 100) = ( 0.2236842 0.2236842 0.2763158), wk = 0.0027248 k( 101) = ( 0.2368421 0.2368421 0.2631579), wk = 0.0027248 k( 102) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027248 k( 103) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027248 k( 104) = ( 0.2419355 0.2580645 0.2419355), wk = 0.0027248 k( 105) = ( 0.2338710 0.2661290 0.2338710), wk = 0.0027248 k( 106) = ( 0.2258064 0.2741936 0.2258065), wk = 0.0027248 k( 107) = ( 0.2177419 0.2822581 0.2177419), wk = 0.0027248 k( 108) = ( 0.2096774 0.2903226 0.2096774), wk = 0.0027248 k( 109) = ( 0.2016129 0.2983871 0.2016129), wk = 0.0027248 k( 110) = ( 0.1935484 0.3064516 0.1935484), wk = 0.0027248 k( 111) = ( 0.1854839 0.3145161 0.1854839), wk = 0.0027248 k( 112) = ( 0.1774194 0.3225807 0.1774193), wk = 0.0027248 k( 113) = ( 0.1693548 0.3306452 0.1693548), wk = 0.0027248 k( 114) = ( 0.1612903 0.3387097 0.1612903), wk = 0.0027248 k( 115) = ( 0.1532258 0.3467742 0.1532258), wk = 0.0027248 k( 116) = ( 0.1451613 0.3548387 0.1451613), wk = 0.0027248 k( 117) = ( 0.1370968 0.3629032 0.1370968), wk = 0.0027248 k( 118) = ( 0.1290323 0.3709677 0.1290323), wk = 0.0027248 k( 119) = ( 0.1209677 0.3790323 0.1209677), wk = 0.0027248 k( 120) = ( 0.1129032 0.3870968 0.1129032), wk = 0.0027248 k( 121) = ( 0.1048387 0.3951613 0.1048387), wk = 0.0027248 k( 122) = ( 0.0967742 0.4032258 0.0967742), wk = 0.0027248 k( 123) = ( 0.0887097 0.4112903 0.0887097), wk = 0.0027248 k( 124) = ( 0.0806452 0.4193548 0.0806452), wk = 0.0027248 k( 125) = ( 0.0725806 0.4274193 0.0725806), wk = 0.0027248 k( 126) = ( 0.0645161 0.4354839 0.0645161), wk = 0.0027248 k( 127) = ( 0.0564516 0.4435484 0.0564516), wk = 0.0027248 k( 128) = ( 0.0483871 0.4516129 0.0483871), wk = 0.0027248 k( 129) = ( 0.0403226 0.4596774 0.0403226), wk = 0.0027248 k( 130) = ( 0.0322581 0.4677419 0.0322581), wk = 0.0027248 k( 131) = ( 0.0241936 0.4758064 0.0241936), wk = 0.0027248 k( 132) = ( 0.0161290 0.4838710 0.0161290), wk = 0.0027248 k( 133) = ( 0.0080645 0.4919355 0.0080645), wk = 0.0027248 k( 134) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027248 k( 135) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027248 k( 136) = ( 0.0149860 0.5077413 -0.0149860), wk = 0.0027248 k( 137) = ( 0.0299720 0.5154826 -0.0299720), wk = 0.0027248 k( 138) = ( 0.0449579 0.5232239 -0.0449579), wk = 0.0027248 k( 139) = ( 0.0599439 0.5309652 -0.0599439), wk = 0.0027248 k( 140) = ( 0.0749299 0.5387065 -0.0749299), wk = 0.0027248 k( 141) = ( 0.0899158 0.5464478 -0.0899158), wk = 0.0027248 k( 142) = ( 0.1049018 0.5541891 -0.1049018), wk = 0.0027248 k( 143) = ( 0.1198878 0.5619304 -0.1198878), wk = 0.0027248 k( 144) = ( 0.1348737 0.5696717 -0.1348737), wk = 0.0027248 k( 145) = ( 0.1498597 0.5774130 -0.1498597), wk = 0.0027248 k( 146) = ( 0.1648457 0.5851543 -0.1648457), wk = 0.0027248 k( 147) = ( 0.1798317 0.5928956 -0.1798317), wk = 0.0027248 k( 148) = ( 0.1948176 0.6006369 -0.1948176), wk = 0.0027248 k( 149) = ( 0.2098036 0.6083782 -0.2098036), wk = 0.0027248 k( 150) = ( 0.2247896 0.6161195 -0.2247896), wk = 0.0027248 k( 151) = ( 0.2397756 0.6238608 -0.2397756), wk = 0.0027248 k( 152) = ( 0.2547615 0.6316021 -0.2547615), wk = 0.0027248 k( 153) = ( 0.2697475 0.6393434 -0.2697475), wk = 0.0027248 k( 154) = ( 0.2847335 0.6470847 -0.2847335), wk = 0.0027248 k( 155) = ( 0.2997194 0.6548260 -0.2997194), wk = 0.0027248 k( 156) = ( 0.3147054 0.6625673 -0.3147054), wk = 0.0027248 k( 157) = ( 0.3296914 0.6703086 -0.3296914), wk = 0.0027248 k( 158) = ( 0.3296914 0.6703086 -0.3296914), wk = 0.0027248 k( 159) = ( 0.3370961 0.6629039 -0.3370961), wk = 0.0027248 k( 160) = ( 0.3445008 0.6554992 -0.3445008), wk = 0.0027248 k( 161) = ( 0.3519056 0.6480944 -0.3519056), wk = 0.0027248 k( 162) = ( 0.3593103 0.6406897 -0.3593103), wk = 0.0027248 k( 163) = ( 0.3667150 0.6332850 -0.3667150), wk = 0.0027248 k( 164) = ( 0.3741197 0.6258803 -0.3741197), wk = 0.0027248 k( 165) = ( 0.3815245 0.6184755 -0.3815245), wk = 0.0027248 k( 166) = ( 0.3889292 0.6110708 -0.3889292), wk = 0.0027248 k( 167) = ( 0.3963339 0.6036661 -0.3963339), wk = 0.0027248 k( 168) = ( 0.4037386 0.5962614 -0.4037386), wk = 0.0027248 k( 169) = ( 0.4111433 0.5888567 -0.4111433), wk = 0.0027248 k( 170) = ( 0.4185481 0.5814519 -0.4185481), wk = 0.0027248 k( 171) = ( 0.4259528 0.5740472 -0.4259528), wk = 0.0027248 k( 172) = ( 0.4333575 0.5666425 -0.4333575), wk = 0.0027248 k( 173) = ( 0.4407622 0.5592378 -0.4407622), wk = 0.0027248 k( 174) = ( 0.4481670 0.5518331 -0.4481670), wk = 0.0027248 k( 175) = ( 0.4555717 0.5444283 -0.4555717), wk = 0.0027248 k( 176) = ( 0.4629764 0.5370236 -0.4629764), wk = 0.0027248 k( 177) = ( 0.4703811 0.5296189 -0.4703811), wk = 0.0027248 k( 178) = ( 0.4777858 0.5222142 -0.4777858), wk = 0.0027248 k( 179) = ( 0.4851906 0.5148094 -0.4851906), wk = 0.0027248 k( 180) = ( 0.4925953 0.5074047 -0.4925953), wk = 0.0027248 k( 181) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027248 k( 182) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027248 k( 183) = ( 0.4868421 0.4868421 -0.4868421), wk = 0.0027248 k( 184) = ( 0.4736842 0.4736842 -0.4736842), wk = 0.0027248 k( 185) = ( 0.4605263 0.4605263 -0.4605263), wk = 0.0027248 k( 186) = ( 0.4473684 0.4473684 -0.4473684), wk = 0.0027248 k( 187) = ( 0.4342105 0.4342105 -0.4342105), wk = 0.0027248 k( 188) = ( 0.4210526 0.4210526 -0.4210526), wk = 0.0027248 k( 189) = ( 0.4078947 0.4078947 -0.4078947), wk = 0.0027248 k( 190) = ( 0.3947368 0.3947368 -0.3947368), wk = 0.0027248 k( 191) = ( 0.3815789 0.3815789 -0.3815789), wk = 0.0027248 k( 192) = ( 0.3684211 0.3684211 -0.3684211), wk = 0.0027248 k( 193) = ( 0.3552632 0.3552632 -0.3552632), wk = 0.0027248 k( 194) = ( 0.3421053 0.3421053 -0.3421053), wk = 0.0027248 k( 195) = ( 0.3289474 0.3289474 -0.3289474), wk = 0.0027248 k( 196) = ( 0.3157895 0.3157895 -0.3157895), wk = 0.0027248 k( 197) = ( 0.3026316 0.3026316 -0.3026316), wk = 0.0027248 k( 198) = ( 0.2894737 0.2894737 -0.2894737), wk = 0.0027248 k( 199) = ( 0.2763158 0.2763158 -0.2763158), wk = 0.0027248 k( 200) = ( 0.2631579 0.2631579 -0.2631579), wk = 0.0027248 k( 201) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0027248 k( 202) = ( 0.2368421 0.2368421 -0.2368421), wk = 0.0027248 k( 203) = ( 0.2236842 0.2236842 -0.2236842), wk = 0.0027248 k( 204) = ( 0.2105263 0.2105263 -0.2105263), wk = 0.0027248 k( 205) = ( 0.1973684 0.1973684 -0.1973684), wk = 0.0027248 k( 206) = ( 0.1842105 0.1842105 -0.1842105), wk = 0.0027248 k( 207) = ( 0.1710526 0.1710526 -0.1710526), wk = 0.0027248 k( 208) = ( 0.1578947 0.1578947 -0.1578947), wk = 0.0027248 k( 209) = ( 0.1447368 0.1447368 -0.1447368), wk = 0.0027248 k( 210) = ( 0.1315790 0.1315790 -0.1315790), wk = 0.0027248 k( 211) = ( 0.1184210 0.1184210 -0.1184210), wk = 0.0027248 k( 212) = ( 0.1052632 0.1052632 -0.1052632), wk = 0.0027248 k( 213) = ( 0.0921053 0.0921053 -0.0921053), wk = 0.0027248 k( 214) = ( 0.0789474 0.0789474 -0.0789474), wk = 0.0027248 k( 215) = ( 0.0657895 0.0657895 -0.0657895), wk = 0.0027248 k( 216) = ( 0.0526316 0.0526316 -0.0526316), wk = 0.0027248 k( 217) = ( 0.0394737 0.0394737 -0.0394737), wk = 0.0027248 k( 218) = ( 0.0263158 0.0263158 -0.0263158), wk = 0.0027248 k( 219) = ( 0.0131579 0.0131579 -0.0131579), wk = 0.0027248 k( 220) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 222) = ( 0.0080289 -0.0080289 0.0080289), wk = 0.0027248 k( 223) = ( 0.0160577 -0.0160577 0.0160577), wk = 0.0027248 k( 224) = ( 0.0240866 -0.0240866 0.0240866), wk = 0.0027248 k( 225) = ( 0.0321155 -0.0321155 0.0321155), wk = 0.0027248 k( 226) = ( 0.0401444 -0.0401444 0.0401444), wk = 0.0027248 k( 227) = ( 0.0481733 -0.0481732 0.0481733), wk = 0.0027248 k( 228) = ( 0.0562021 -0.0562021 0.0562021), wk = 0.0027248 k( 229) = ( 0.0642310 -0.0642310 0.0642310), wk = 0.0027248 k( 230) = ( 0.0722599 -0.0722599 0.0722599), wk = 0.0027248 k( 231) = ( 0.0802888 -0.0802887 0.0802887), wk = 0.0027248 k( 232) = ( 0.0883176 -0.0883176 0.0883176), wk = 0.0027248 k( 233) = ( 0.0963465 -0.0963465 0.0963465), wk = 0.0027248 k( 234) = ( 0.1043754 -0.1043754 0.1043754), wk = 0.0027248 k( 235) = ( 0.1124042 -0.1124042 0.1124043), wk = 0.0027248 k( 236) = ( 0.1204331 -0.1204331 0.1204331), wk = 0.0027248 k( 237) = ( 0.1284620 -0.1284620 0.1284620), wk = 0.0027248 k( 238) = ( 0.1364909 -0.1364909 0.1364909), wk = 0.0027248 k( 239) = ( 0.1445198 -0.1445198 0.1445198), wk = 0.0027248 k( 240) = ( 0.1525486 -0.1525486 0.1525486), wk = 0.0027248 k( 241) = ( 0.1605775 -0.1605775 0.1605775), wk = 0.0027248 k( 242) = ( 0.1686064 -0.1686064 0.1686064), wk = 0.0027248 k( 243) = ( 0.1766353 -0.1766353 0.1766353), wk = 0.0027248 k( 244) = ( 0.1846641 -0.1846641 0.1846641), wk = 0.0027248 k( 245) = ( 0.1926930 -0.1926930 0.1926930), wk = 0.0027248 k( 246) = ( 0.2007219 -0.2007219 0.2007219), wk = 0.0027248 k( 247) = ( 0.2087508 -0.2087508 0.2087508), wk = 0.0027248 k( 248) = ( 0.2167796 -0.2167796 0.2167796), wk = 0.0027248 k( 249) = ( 0.2248085 -0.2248085 0.2248085), wk = 0.0027248 k( 250) = ( 0.2328374 -0.2328374 0.2328374), wk = 0.0027248 k( 251) = ( 0.2408663 -0.2408663 0.2408663), wk = 0.0027248 k( 252) = ( 0.2488951 -0.2488951 0.2488951), wk = 0.0027248 k( 253) = ( 0.2569240 -0.2569240 0.2569240), wk = 0.0027248 k( 254) = ( 0.2649529 -0.2649529 0.2649529), wk = 0.0027248 k( 255) = ( 0.2729818 -0.2729818 0.2729818), wk = 0.0027248 k( 256) = ( 0.2810106 -0.2810106 0.2810106), wk = 0.0027248 k( 257) = ( 0.2890395 -0.2890395 0.2890395), wk = 0.0027248 k( 258) = ( 0.2970684 -0.2970684 0.2970684), wk = 0.0027248 k( 259) = ( 0.3050973 -0.3050973 0.3050973), wk = 0.0027248 k( 260) = ( 0.3131261 -0.3131261 0.3131261), wk = 0.0027248 k( 261) = ( 0.3211550 -0.3211550 0.3211550), wk = 0.0027248 k( 262) = ( 0.3291839 -0.3291839 0.3291839), wk = 0.0027248 k( 263) = ( 0.3372128 -0.3372128 0.3372128), wk = 0.0027248 k( 264) = ( 0.3452416 -0.3452416 0.3452416), wk = 0.0027248 k( 265) = ( 0.3452416 -0.3452416 0.3452416), wk = 0.0027248 k( 266) = ( 0.3519703 -0.3302311 0.3302311), wk = 0.0027248 k( 267) = ( 0.3586989 -0.3152206 0.3152206), wk = 0.0027248 k( 268) = ( 0.3654275 -0.3002101 0.3002101), wk = 0.0027248 k( 269) = ( 0.3721561 -0.2851996 0.2851996), wk = 0.0027248 k( 270) = ( 0.3788848 -0.2701891 0.2701891), wk = 0.0027248 k( 271) = ( 0.3856134 -0.2551786 0.2551786), wk = 0.0027248 k( 272) = ( 0.3923420 -0.2401681 0.2401681), wk = 0.0027248 k( 273) = ( 0.3990706 -0.2251576 0.2251576), wk = 0.0027248 k( 274) = ( 0.4057993 -0.2101471 0.2101471), wk = 0.0027248 k( 275) = ( 0.4125279 -0.1951366 0.1951366), wk = 0.0027248 k( 276) = ( 0.4192565 -0.1801261 0.1801261), wk = 0.0027248 k( 277) = ( 0.4259851 -0.1651156 0.1651156), wk = 0.0027248 k( 278) = ( 0.4327138 -0.1501051 0.1501051), wk = 0.0027248 k( 279) = ( 0.4394424 -0.1350945 0.1350945), wk = 0.0027248 k( 280) = ( 0.4461710 -0.1200840 0.1200840), wk = 0.0027248 k( 281) = ( 0.4528996 -0.1050735 0.1050735), wk = 0.0027248 k( 282) = ( 0.4596283 -0.0900630 0.0900630), wk = 0.0027248 k( 283) = ( 0.4663569 -0.0750525 0.0750525), wk = 0.0027248 k( 284) = ( 0.4730855 -0.0600420 0.0600420), wk = 0.0027248 k( 285) = ( 0.4798141 -0.0450315 0.0450315), wk = 0.0027248 k( 286) = ( 0.4865428 -0.0300210 0.0300210), wk = 0.0027248 k( 287) = ( 0.4932714 -0.0150105 0.0150105), wk = 0.0027248 k( 288) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027248 k( 289) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027248 k( 290) = ( 0.4926471 0.0073529 0.0073529), wk = 0.0027248 k( 291) = ( 0.4852941 0.0147059 0.0147059), wk = 0.0027248 k( 292) = ( 0.4779412 0.0220588 0.0220588), wk = 0.0027248 k( 293) = ( 0.4705882 0.0294118 0.0294118), wk = 0.0027248 k( 294) = ( 0.4632353 0.0367647 0.0367647), wk = 0.0027248 k( 295) = ( 0.4558823 0.0441177 0.0441177), wk = 0.0027248 k( 296) = ( 0.4485294 0.0514706 0.0514706), wk = 0.0027248 k( 297) = ( 0.4411765 0.0588235 0.0588235), wk = 0.0027248 k( 298) = ( 0.4338235 0.0661765 0.0661765), wk = 0.0027248 k( 299) = ( 0.4264706 0.0735294 0.0735294), wk = 0.0027248 k( 300) = ( 0.4191177 0.0808824 0.0808824), wk = 0.0027248 k( 301) = ( 0.4117647 0.0882353 0.0882353), wk = 0.0027248 k( 302) = ( 0.4044118 0.0955882 0.0955882), wk = 0.0027248 k( 303) = ( 0.3970588 0.1029412 0.1029412), wk = 0.0027248 k( 304) = ( 0.3897059 0.1102941 0.1102941), wk = 0.0027248 k( 305) = ( 0.3823529 0.1176471 0.1176471), wk = 0.0027248 k( 306) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0027248 k( 307) = ( 0.3676471 0.1323529 0.1323529), wk = 0.0027248 k( 308) = ( 0.3602941 0.1397059 0.1397059), wk = 0.0027248 k( 309) = ( 0.3529412 0.1470588 0.1470588), wk = 0.0027248 k( 310) = ( 0.3455882 0.1544118 0.1544118), wk = 0.0027248 k( 311) = ( 0.3382353 0.1617647 0.1617647), wk = 0.0027248 k( 312) = ( 0.3308823 0.1691177 0.1691177), wk = 0.0027248 k( 313) = ( 0.3235294 0.1764706 0.1764706), wk = 0.0027248 k( 314) = ( 0.3161765 0.1838235 0.1838235), wk = 0.0027248 k( 315) = ( 0.3088235 0.1911765 0.1911765), wk = 0.0027248 k( 316) = ( 0.3014706 0.1985294 0.1985294), wk = 0.0027248 k( 317) = ( 0.2941177 0.2058823 0.2058824), wk = 0.0027248 k( 318) = ( 0.2867647 0.2132353 0.2132353), wk = 0.0027248 k( 319) = ( 0.2794118 0.2205882 0.2205882), wk = 0.0027248 k( 320) = ( 0.2720588 0.2279412 0.2279412), wk = 0.0027248 k( 321) = ( 0.2647059 0.2352941 0.2352941), wk = 0.0027248 k( 322) = ( 0.2573529 0.2426471 0.2426471), wk = 0.0027248 k( 323) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027248 k( 324) = ( 0.1749330 -0.1749330 0.5155502), wk = 0.0027248 k( 325) = ( 0.1823378 -0.1823378 0.5081455), wk = 0.0027248 k( 326) = ( 0.1897425 -0.1897425 0.5007408), wk = 0.0027248 k( 327) = ( 0.1971472 -0.1971472 0.4933361), wk = 0.0027248 k( 328) = ( 0.2045519 -0.2045519 0.4859314), wk = 0.0027248 k( 329) = ( 0.2119566 -0.2119566 0.4785266), wk = 0.0027248 k( 330) = ( 0.2193614 -0.2193614 0.4711219), wk = 0.0027248 k( 331) = ( 0.2267661 -0.2267661 0.4637172), wk = 0.0027248 k( 332) = ( 0.2341708 -0.2341708 0.4563125), wk = 0.0027248 k( 333) = ( 0.2415755 -0.2415755 0.4489077), wk = 0.0027248 k( 334) = ( 0.2489803 -0.2489803 0.4415030), wk = 0.0027248 k( 335) = ( 0.2563850 -0.2563850 0.4340983), wk = 0.0027248 k( 336) = ( 0.2637897 -0.2637897 0.4266936), wk = 0.0027248 k( 337) = ( 0.2711944 -0.2711944 0.4192889), wk = 0.0027248 k( 338) = ( 0.2785991 -0.2785991 0.4118841), wk = 0.0027248 k( 339) = ( 0.2860039 -0.2860039 0.4044794), wk = 0.0027248 k( 340) = ( 0.2934086 -0.2934086 0.3970747), wk = 0.0027248 k( 341) = ( 0.3008133 -0.3008133 0.3896700), wk = 0.0027248 k( 342) = ( 0.3082180 -0.3082180 0.3822653), wk = 0.0027248 k( 343) = ( 0.3156228 -0.3156227 0.3748605), wk = 0.0027248 k( 344) = ( 0.3230275 -0.3230275 0.3674558), wk = 0.0027248 k( 345) = ( 0.3304322 -0.3304322 0.3600511), wk = 0.0027248 k( 346) = ( 0.3378369 -0.3378369 0.3526464), wk = 0.0027248 k( 347) = ( 0.3452416 -0.3452416 0.3452416), wk = 0.0027248 k( 348) = ( 0.6547584 0.3452416 -0.3452416), wk = 0.0027248 k( 349) = ( 0.6466132 0.3533868 -0.3533868), wk = 0.0027248 k( 350) = ( 0.6384680 0.3615320 -0.3615320), wk = 0.0027248 k( 351) = ( 0.6303228 0.3696772 -0.3696772), wk = 0.0027248 k( 352) = ( 0.6221777 0.3778223 -0.3778223), wk = 0.0027248 k( 353) = ( 0.6140325 0.3859675 -0.3859675), wk = 0.0027248 k( 354) = ( 0.6058873 0.3941127 -0.3941127), wk = 0.0027248 k( 355) = ( 0.5977421 0.4022579 -0.4022579), wk = 0.0027248 k( 356) = ( 0.5895970 0.4104030 -0.4104030), wk = 0.0027248 k( 357) = ( 0.5814518 0.4185482 -0.4185482), wk = 0.0027248 k( 358) = ( 0.5733066 0.4266934 -0.4266934), wk = 0.0027248 k( 359) = ( 0.5651614 0.4348386 -0.4348386), wk = 0.0027248 k( 360) = ( 0.5570162 0.4429838 -0.4429838), wk = 0.0027248 k( 361) = ( 0.5488711 0.4511289 -0.4511289), wk = 0.0027248 k( 362) = ( 0.5407259 0.4592741 -0.4592741), wk = 0.0027248 k( 363) = ( 0.5325807 0.4674193 -0.4674193), wk = 0.0027248 k( 364) = ( 0.5244355 0.4755645 -0.4755645), wk = 0.0027248 k( 365) = ( 0.5162904 0.4837096 -0.4837096), wk = 0.0027248 k( 366) = ( 0.5081452 0.4918548 -0.4918548), wk = 0.0027248 k( 367) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027248 Dense grid: 67703 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 30013 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 210, 40) NL pseudopotentials 0.20 Mb ( 105, 124) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1881) G-vector shells 0.01 Mb ( 1771) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 210, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.15 Mb ( 124, 2, 40) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SiO2.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.7 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.8 secs Computing kpt #: 9 total cpu time spent up to now is 5.4 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.3 secs Computing kpt #: 12 total cpu time spent up to now is 6.7 secs Computing kpt #: 13 total cpu time spent up to now is 7.0 secs Computing kpt #: 14 total cpu time spent up to now is 7.4 secs Computing kpt #: 15 total cpu time spent up to now is 7.8 secs Computing kpt #: 16 total cpu time spent up to now is 8.1 secs Computing kpt #: 17 total cpu time spent up to now is 8.5 secs Computing kpt #: 18 total cpu time spent up to now is 8.8 secs Computing kpt #: 19 total cpu time spent up to now is 9.2 secs Computing kpt #: 20 total cpu time spent up to now is 9.6 secs Computing kpt #: 21 total cpu time spent up to now is 9.9 secs Computing kpt #: 22 total cpu time spent up to now is 10.3 secs Computing kpt #: 23 total cpu time spent up to now is 10.6 secs Computing kpt #: 24 total cpu time spent up to now is 11.0 secs Computing kpt #: 25 total cpu time spent up to now is 11.4 secs Computing kpt #: 26 total cpu time spent up to now is 11.7 secs Computing kpt #: 27 total cpu time spent up to now is 12.1 secs Computing kpt #: 28 total cpu time spent up to now is 12.4 secs Computing kpt #: 29 total cpu time spent up to now is 12.8 secs Computing kpt #: 30 total cpu time spent up to now is 13.2 secs Computing kpt #: 31 total cpu time spent up to now is 13.5 secs Computing kpt #: 32 total cpu time spent up to now is 13.9 secs Computing kpt #: 33 total cpu time spent up to now is 14.3 secs Computing kpt #: 34 total cpu time spent up to now is 14.6 secs Computing kpt #: 35 total cpu time spent up to now is 15.0 secs Computing kpt #: 36 total cpu time spent up to now is 15.4 secs Computing kpt #: 37 total cpu time spent up to now is 15.7 secs Computing kpt #: 38 total cpu time spent up to now is 16.1 secs Computing kpt #: 39 total cpu time spent up to now is 16.5 secs Computing kpt #: 40 total cpu time spent up to now is 16.8 secs Computing kpt #: 41 total cpu time spent up to now is 17.2 secs Computing kpt #: 42 total cpu time spent up to now is 17.6 secs Computing kpt #: 43 total cpu time spent up to now is 17.9 secs Computing kpt #: 44 total cpu time spent up to now is 18.3 secs Computing kpt #: 45 total cpu time spent up to now is 18.7 secs Computing kpt #: 46 total cpu time spent up to now is 19.1 secs Computing kpt #: 47 total cpu time spent up to now is 19.4 secs Computing kpt #: 48 total cpu time spent up to now is 19.8 secs Computing kpt #: 49 total cpu time spent up to now is 20.2 secs Computing kpt #: 50 total cpu time spent up to now is 20.5 secs Computing kpt #: 51 total cpu time spent up to now is 20.9 secs Computing kpt #: 52 total cpu time spent up to now is 21.3 secs Computing kpt #: 53 total cpu time spent up to now is 21.6 secs Computing kpt #: 54 total cpu time spent up to now is 22.0 secs Computing kpt #: 55 total cpu time spent up to now is 22.3 secs Computing kpt #: 56 total cpu time spent up to now is 22.7 secs Computing kpt #: 57 total cpu time spent up to now is 23.1 secs Computing kpt #: 58 total cpu time spent up to now is 23.6 secs Computing kpt #: 59 total cpu 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Computing kpt #: 75 total cpu time spent up to now is 30.6 secs Computing kpt #: 76 total cpu time spent up to now is 31.0 secs Computing kpt #: 77 total cpu time spent up to now is 31.4 secs Computing kpt #: 78 total cpu time spent up to now is 31.8 secs Computing kpt #: 79 total cpu time spent up to now is 32.2 secs Computing kpt #: 80 total cpu time spent up to now is 32.6 secs Computing kpt #: 81 total cpu time spent up to now is 32.9 secs Computing kpt #: 82 total cpu time spent up to now is 33.3 secs Computing kpt #: 83 total cpu time spent up to now is 33.7 secs Computing kpt #: 84 total cpu time spent up to now is 34.1 secs Computing kpt #: 85 total cpu time spent up to now is 34.5 secs Computing kpt #: 86 total cpu time spent up to now is 34.9 secs Computing kpt #: 87 total cpu time spent up to now is 35.3 secs Computing kpt #: 88 total cpu time spent up to now is 35.8 secs Computing kpt #: 89 total cpu time spent up to now is 36.2 secs Computing kpt #: 90 total cpu time spent up to now is 36.6 secs Computing kpt #: 91 total cpu time spent up to now is 37.1 secs Computing kpt #: 92 total cpu time spent up to now is 37.5 secs Computing kpt #: 93 total cpu time spent up to now is 38.0 secs Computing kpt #: 94 total cpu time spent up to now is 38.4 secs Computing kpt #: 95 total cpu time spent up to now is 38.9 secs Computing kpt #: 96 total cpu time spent up to now is 39.3 secs Computing kpt #: 97 total cpu time spent up to now is 39.7 secs Computing kpt #: 98 total cpu time spent up to now is 40.2 secs Computing kpt #: 99 total cpu time spent up to now is 40.6 secs Computing kpt #: 100 total cpu time spent up to now is 41.1 secs Computing kpt #: 101 total cpu time spent up to now is 41.5 secs Computing kpt #: 102 total cpu time spent up to now is 42.0 secs Computing kpt #: 103 total cpu time spent up to now is 42.4 secs Computing kpt #: 104 total cpu time spent up to now is 42.9 secs Computing kpt #: 105 total cpu time spent up to now is 43.3 secs Computing 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secs Computing kpt #: 137 total cpu time spent up to now is 55.6 secs Computing kpt #: 138 total cpu time spent up to now is 55.9 secs Computing kpt #: 139 total cpu time spent up to now is 56.3 secs Computing kpt #: 140 total cpu time spent up to now is 56.6 secs Computing kpt #: 141 total cpu time spent up to now is 57.0 secs Computing kpt #: 142 total cpu time spent up to now is 57.4 secs Computing kpt #: 143 total cpu time spent up to now is 57.7 secs Computing kpt #: 144 total cpu time spent up to now is 58.1 secs Computing kpt #: 145 total cpu time spent up to now is 58.4 secs Computing kpt #: 146 total cpu time spent up to now is 58.8 secs Computing kpt #: 147 total cpu time spent up to now is 59.2 secs Computing kpt #: 148 total cpu time spent up to now is 59.6 secs Computing kpt #: 149 total cpu time spent up to now is 59.9 secs Computing kpt #: 150 total cpu time spent up to now is 60.3 secs Computing kpt #: 151 total cpu time spent up to now is 60.7 secs Computing kpt #: 152 total cpu time spent up to now is 61.0 secs Computing kpt #: 153 total cpu time spent up to now is 61.4 secs Computing kpt #: 154 total cpu time spent up to now is 61.8 secs Computing kpt #: 155 total cpu time spent up to now is 62.1 secs Computing kpt #: 156 total cpu time spent up to now is 62.5 secs Computing kpt #: 157 total cpu time spent up to now is 62.9 secs Computing kpt #: 158 total cpu time spent up to now is 63.2 secs Computing kpt #: 159 total cpu time spent up to now is 63.6 secs Computing kpt #: 160 total cpu time spent up to now is 64.0 secs Computing kpt #: 161 total cpu time spent up to now is 64.3 secs Computing kpt #: 162 total cpu time spent up to now is 64.7 secs Computing kpt #: 163 total cpu time spent up to now is 65.1 secs Computing kpt #: 164 total cpu time spent up to now is 65.4 secs Computing kpt #: 165 total cpu time spent up to now is 65.8 secs Computing kpt #: 166 total cpu time spent up to now is 66.2 secs Computing kpt #: 167 total cpu time spent up to now is 66.5 secs Computing kpt #: 168 total cpu time spent up to now is 66.9 secs Computing kpt #: 169 total cpu time spent up to now is 67.3 secs Computing kpt #: 170 total cpu time spent up to now is 67.6 secs Computing kpt #: 171 total cpu time spent up to now is 68.0 secs Computing kpt #: 172 total cpu time spent up to now is 68.4 secs Computing kpt #: 173 total cpu time spent up to now is 68.7 secs Computing kpt #: 174 total cpu time spent up to now is 69.1 secs Computing kpt #: 175 total cpu time spent up to now is 69.5 secs Computing kpt #: 176 total cpu time spent up to now is 69.8 secs Computing kpt #: 177 total cpu time spent up to now is 70.2 secs Computing kpt #: 178 total cpu time spent up to now is 70.6 secs Computing kpt #: 179 total cpu time spent up to now is 71.0 secs Computing kpt #: 180 total cpu time spent up to now is 71.3 secs Computing kpt #: 181 total cpu time spent up to now is 71.7 secs Computing kpt #: 182 total cpu time spent up to now is 72.0 secs Computing kpt #: 183 total cpu time spent up to now is 72.4 secs Computing kpt #: 184 total cpu time spent up to now is 72.7 secs Computing kpt #: 185 total cpu time spent up to now is 73.1 secs Computing kpt #: 186 total cpu time spent up to now is 73.4 secs Computing kpt #: 187 total cpu time spent up to now is 73.8 secs Computing kpt #: 188 total cpu time spent up to now is 74.1 secs Computing kpt #: 189 total cpu time spent up to now is 74.5 secs Computing kpt #: 190 total cpu time spent up to now is 74.9 secs Computing kpt #: 191 total cpu time spent up to now is 75.2 secs Computing kpt #: 192 total cpu time spent up to now is 75.6 secs Computing kpt #: 193 total cpu time spent up to now is 75.9 secs Computing kpt #: 194 total cpu time spent up to now is 76.3 secs Computing kpt #: 195 total cpu time spent up to now is 76.6 secs Computing kpt #: 196 total cpu time spent up to now is 77.0 secs Computing kpt #: 197 total cpu time spent up to now is 77.3 secs Computing kpt #: 198 total cpu time spent up to now is 77.7 secs Computing kpt #: 199 total cpu time spent up to now is 78.1 secs Computing kpt #: 200 total cpu time spent up to now is 78.4 secs Computing kpt #: 201 total cpu time spent up to now is 78.8 secs Computing kpt #: 202 total cpu time spent up to now is 79.1 secs Computing kpt #: 203 total cpu time spent up to now is 79.5 secs Computing kpt #: 204 total cpu time spent up to now is 79.8 secs Computing kpt #: 205 total cpu time spent up to now is 80.2 secs Computing kpt #: 206 total cpu time spent up to now is 80.5 secs Computing kpt #: 207 total cpu time spent up to now is 80.9 secs Computing kpt #: 208 total cpu time spent up to now is 81.3 secs Computing kpt #: 209 total cpu time spent up to now is 81.6 secs Computing kpt #: 210 total cpu time spent up to now is 82.0 secs Computing kpt #: 211 total cpu time spent up to now is 82.3 secs Computing kpt #: 212 total cpu time spent up to now is 82.7 secs Computing kpt #: 213 total cpu time spent up to now is 83.1 secs Computing kpt #: 214 total cpu time spent up to now is 83.4 secs Computing kpt #: 215 total cpu time spent up to now is 83.8 secs Computing kpt #: 216 total cpu time spent up to now is 84.1 secs Computing kpt #: 217 total cpu time spent up to now is 84.5 secs Computing kpt #: 218 total cpu time spent up to now is 84.9 secs Computing kpt #: 219 total cpu time spent up to now is 85.2 secs Computing kpt #: 220 total cpu time spent up to now is 85.6 secs Computing kpt #: 221 total cpu time spent up to now is 85.9 secs Computing kpt #: 222 total cpu time spent up to now is 86.3 secs Computing kpt #: 223 total cpu time spent up to now is 86.6 secs Computing kpt #: 224 total cpu time spent up to now is 87.0 secs Computing kpt #: 225 total cpu time spent up to now is 87.3 secs Computing kpt #: 226 total cpu time spent up to now is 87.7 secs Computing kpt #: 227 total cpu time spent up to now is 88.0 secs Computing kpt #: 228 total cpu time spent up to now is 88.4 secs Computing kpt #: 229 total cpu time spent up to now is 88.8 secs Computing kpt #: 230 total cpu time spent up to now is 89.1 secs Computing kpt #: 231 total cpu time spent up to now is 89.5 secs Computing kpt #: 232 total cpu time spent up to now is 89.8 secs Computing kpt #: 233 total cpu time spent up to now is 90.2 secs Computing kpt #: 234 total cpu time spent up to now is 90.6 secs Computing kpt #: 235 total cpu time spent up to now is 90.9 secs Computing kpt #: 236 total cpu time spent up to now is 91.3 secs Computing kpt #: 237 total cpu time spent up to now is 91.8 secs Computing kpt #: 238 total cpu time spent up to now is 92.2 secs Computing kpt #: 239 total cpu time spent up to now is 92.7 secs Computing kpt #: 240 total cpu time spent up to now is 93.2 secs Computing kpt #: 241 total cpu time spent up to now is 93.7 secs Computing kpt #: 242 total cpu time spent up to now is 94.2 secs Computing kpt #: 243 total cpu time spent up to now is 94.7 secs Computing kpt #: 244 total cpu time spent up to now is 95.2 secs Computing kpt #: 245 total cpu time spent up to now is 95.7 secs Computing kpt #: 246 total cpu time spent up to now is 96.2 secs Computing kpt #: 247 total cpu time spent up to now is 96.6 secs Computing kpt #: 248 total cpu time spent up to now is 97.1 secs Computing kpt #: 249 total cpu time spent up to now is 97.6 secs Computing kpt #: 250 total cpu time spent up to now is 98.1 secs Computing kpt #: 251 total cpu time spent up to now is 98.6 secs Computing kpt #: 252 total cpu time spent up to now is 99.3 secs Computing kpt #: 253 total cpu time spent up to now is 100.1 secs Computing kpt #: 254 total cpu time spent up to now is 100.6 secs Computing kpt #: 255 total cpu time spent up to now is 101.4 secs Computing kpt #: 256 total cpu time spent up to now is 102.1 secs Computing kpt #: 257 total cpu time spent up to now is 102.7 secs Computing kpt #: 258 total cpu time spent up to now is 103.2 secs Computing kpt #: 259 total cpu time spent up to now is 103.7 secs Computing kpt #: 260 total cpu time spent up to now is 104.2 secs Computing kpt #: 261 total cpu time spent up to now is 104.6 secs Computing kpt #: 262 total cpu time spent up to now is 105.1 secs Computing kpt #: 263 total cpu time spent up to now is 105.6 secs Computing kpt #: 264 total cpu time spent up to now is 106.1 secs Computing kpt #: 265 total cpu time spent up to now is 106.4 secs Computing kpt #: 266 total cpu time spent up to now is 106.9 secs Computing kpt #: 267 total cpu time spent up to now is 107.3 secs Computing kpt #: 268 total cpu time spent up to now is 107.8 secs Computing kpt #: 269 total cpu time spent up to now is 108.3 secs Computing kpt #: 270 total cpu time spent up to now is 108.7 secs Computing kpt #: 271 total cpu time spent up to now is 109.2 secs Computing kpt #: 272 total cpu time spent up to now is 109.7 secs Computing kpt #: 273 total cpu time spent up to now is 110.1 secs Computing kpt #: 274 total cpu time spent up to now is 110.6 secs Computing kpt #: 275 total cpu time spent up to now is 111.3 secs Computing kpt #: 276 total cpu time spent up to now is 111.9 secs Computing kpt #: 277 total cpu time spent up to now is 112.5 secs Computing kpt #: 278 total cpu time spent up to now is 113.2 secs Computing kpt #: 279 total cpu time spent up to now is 113.9 secs Computing kpt #: 280 total cpu time spent up to now is 114.5 secs Computing kpt #: 281 total cpu time spent up to now is 115.1 secs Computing kpt #: 282 total cpu time spent up to now is 115.7 secs Computing kpt #: 283 total cpu time spent up to now is 116.3 secs Computing kpt #: 284 total cpu time spent up to now is 116.9 secs Computing kpt #: 285 total cpu time spent up to now is 117.5 secs Computing kpt #: 286 total cpu time spent up to now is 118.0 secs Computing kpt #: 287 total cpu time spent up to now is 118.5 secs Computing kpt #: 288 total cpu time spent up to now is 119.0 secs Computing kpt #: 289 total cpu time spent up to now is 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Computing kpt #: 305 total cpu time spent up to now is 126.7 secs Computing kpt #: 306 total cpu time spent up to now is 127.1 secs Computing kpt #: 307 total cpu time spent up to now is 127.6 secs Computing kpt #: 308 total cpu time spent up to now is 128.0 secs Computing kpt #: 309 total cpu time spent up to now is 128.4 secs Computing kpt #: 310 total cpu time spent up to now is 128.8 secs Computing kpt #: 311 total cpu time spent up to now is 129.2 secs Computing kpt #: 312 total cpu time spent up to now is 129.6 secs Computing kpt #: 313 total cpu time spent up to now is 130.0 secs Computing kpt #: 314 total cpu time spent up to now is 130.4 secs Computing kpt #: 315 total cpu time spent up to now is 130.9 secs Computing kpt #: 316 total cpu time spent up to now is 131.3 secs Computing kpt #: 317 total cpu time spent up to now is 131.8 secs Computing kpt #: 318 total cpu time spent up to now is 132.3 secs Computing kpt #: 319 total cpu time spent up to now is 132.7 secs Computing kpt #: 320 total cpu time spent up to now is 133.2 secs Computing kpt #: 321 total cpu time spent up to now is 133.6 secs Computing kpt #: 322 total cpu time spent up to now is 134.1 secs Computing kpt #: 323 total cpu time spent up to now is 134.5 secs Computing kpt #: 324 total cpu time spent up to now is 134.9 secs Computing kpt #: 325 total cpu time spent up to now is 135.3 secs Computing kpt #: 326 total cpu time spent up to now is 135.7 secs Computing kpt #: 327 total cpu time spent up to now is 136.1 secs Computing kpt #: 328 total cpu time spent up to now is 136.5 secs Computing kpt #: 329 total cpu time spent up to now is 137.0 secs Computing kpt #: 330 total cpu time spent up to now is 137.4 secs Computing kpt #: 331 total cpu time spent up to now is 137.8 secs Computing kpt #: 332 total cpu time spent up to now is 138.3 secs Computing kpt #: 333 total cpu time spent up to now is 138.7 secs Computing kpt #: 334 total cpu time spent up to now is 139.1 secs Computing kpt #: 335 total cpu time spent up to now is 139.6 secs Computing kpt #: 336 total cpu time spent up to now is 140.0 secs Computing kpt #: 337 total cpu time spent up to now is 140.5 secs Computing kpt #: 338 total cpu time spent up to now is 141.0 secs Computing kpt #: 339 total cpu time spent up to now is 141.4 secs Computing kpt #: 340 total cpu time spent up to now is 141.9 secs Computing kpt #: 341 total cpu time spent up to now is 142.3 secs Computing kpt #: 342 total cpu time spent up to now is 142.8 secs Computing kpt #: 343 total cpu time spent up to now is 143.2 secs Computing kpt #: 344 total cpu time spent up to now is 143.7 secs Computing kpt #: 345 total cpu time spent up to now is 144.1 secs Computing kpt #: 346 total cpu time spent up to now is 144.6 secs Computing kpt #: 347 total cpu time spent up to now is 145.0 secs Computing kpt #: 348 total cpu time spent up to now is 145.3 secs Computing kpt #: 349 total cpu time spent up to now is 145.8 secs Computing kpt #: 350 total cpu time spent up to now is 146.2 secs Computing kpt #: 351 total cpu time spent up to now is 146.6 secs Computing kpt #: 352 total cpu time spent up to now is 147.0 secs Computing kpt #: 353 total cpu time spent up to now is 147.4 secs Computing kpt #: 354 total cpu time spent up to now is 147.9 secs Computing kpt #: 355 total cpu time spent up to now is 148.2 secs Computing kpt #: 356 total cpu time spent up to now is 148.6 secs Computing kpt #: 357 total cpu time spent up to now is 149.0 secs Computing kpt #: 358 total cpu time spent up to now is 149.3 secs Computing kpt #: 359 total cpu time spent up to now is 149.7 secs Computing kpt #: 360 total cpu time spent up to now is 150.1 secs Computing kpt #: 361 total cpu time spent up to now is 150.4 secs Computing kpt #: 362 total cpu time spent up to now is 150.8 secs Computing kpt #: 363 total cpu time spent up to now is 151.2 secs Computing kpt #: 364 total cpu time spent up to now is 151.5 secs Computing kpt #: 365 total cpu time spent up to now is 151.9 secs Computing kpt #: 366 total cpu time spent up to now is 152.2 secs Computing kpt #: 367 total cpu time spent up to now is 152.6 secs ethr = 3.13E-08, avg # of iterations = 19.7 total cpu time spent up to now is 152.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3739 PWs) bands (ev): -17.6411 -17.6411 -16.6064 -16.6064 -16.0412 -16.0412 -15.9445 -15.9445 -5.8642 -5.8642 -4.6252 -4.6252 -3.5684 -3.5684 -2.9235 -2.9235 -2.8792 -2.8792 -1.6886 -1.6886 -1.5792 -1.5792 -1.4885 -1.4885 -0.9229 -0.9229 -0.3809 -0.3809 -0.3277 -0.3277 -0.0421 -0.0421 3.0811 3.0811 6.5382 6.5382 6.7965 6.7965 7.4371 7.4371 k =-0.0075 0.0090 0.0128 ( 3735 PWs) bands (ev): -17.6409 -17.6409 -16.6064 -16.6064 -16.0414 -16.0414 -15.9446 -15.9446 -5.8640 -5.8640 -4.6253 -4.6253 -3.5686 -3.5686 -2.9232 -2.9232 -2.8796 -2.8796 -1.6887 -1.6887 -1.5797 -1.5797 -1.4892 -1.4892 -0.9214 -0.9214 -0.3812 -0.3812 -0.3294 -0.3294 -0.0410 -0.0410 3.0835 3.0835 6.5392 6.5392 6.7967 6.7967 7.4368 7.4368 k =-0.0150 0.0179 0.0255 ( 3743 PWs) bands (ev): -17.6404 -17.6404 -16.6063 -16.6063 -16.0418 -16.0418 -15.9449 -15.9449 -5.8637 -5.8637 -4.6254 -4.6254 -3.5695 -3.5695 -2.9224 -2.9224 -2.8808 -2.8808 -1.6891 -1.6891 -1.5813 -1.5813 -1.4912 -1.4912 -0.9169 -0.9169 -0.3822 -0.3822 -0.3342 -0.3342 -0.0377 -0.0377 3.0908 3.0908 6.5419 6.5419 6.7971 6.7971 7.4360 7.4360 k =-0.0225 0.0269 0.0383 ( 3745 PWs) bands (ev): -17.6395 -17.6395 -16.6062 -16.6062 -16.0425 -16.0425 -15.9454 -15.9454 -5.8631 -5.8631 -4.6256 -4.6256 -3.5708 -3.5708 -2.9211 -2.9211 -2.8826 -2.8826 -1.6897 -1.6897 -1.5839 -1.5839 -1.4946 -1.4946 -0.9096 -0.9096 -0.3839 -0.3839 -0.3422 -0.3422 -0.0323 -0.0323 3.1030 3.1030 6.5465 6.5465 6.7979 6.7979 7.4346 7.4346 k =-0.0300 0.0358 0.0511 ( 3745 PWs) bands (ev): -17.6383 -17.6383 -16.6061 -16.6061 -16.0435 -16.0435 -15.9462 -15.9462 -5.8623 -5.8623 -4.6259 -4.6259 -3.5727 -3.5727 -2.9193 -2.9193 -2.8852 -2.8852 -1.6906 -1.6906 -1.5875 -1.5875 -1.4992 -1.4992 -0.8995 -0.8995 -0.3865 -0.3865 -0.3529 -0.3529 -0.0249 -0.0249 3.1197 3.1197 6.5529 6.5529 6.7990 6.7990 7.4326 7.4326 k =-0.0375 0.0448 0.0638 ( 3751 PWs) bands (ev): -17.6367 -17.6367 -16.6058 -16.6058 -16.0447 -16.0447 -15.9471 -15.9471 -5.8613 -5.8613 -4.6262 -4.6262 -3.5751 -3.5751 -2.9169 -2.9169 -2.8884 -2.8884 -1.6917 -1.6917 -1.5918 -1.5918 -1.5049 -1.5049 -0.8869 -0.8869 -0.3905 -0.3905 -0.3658 -0.3658 -0.0157 -0.0157 3.1410 3.1410 6.5611 6.5611 6.8004 6.8004 7.4300 7.4300 k =-0.0450 0.0537 0.0766 ( 3747 PWs) bands (ev): -17.6348 -17.6348 -16.6056 -16.6056 -16.0462 -16.0462 -15.9482 -15.9482 -5.8600 -5.8600 -4.6266 -4.6266 -3.5780 -3.5780 -2.9142 -2.9142 -2.8922 -2.8922 -1.6931 -1.6931 -1.5967 -1.5967 -1.5118 -1.5118 -0.8719 -0.8719 -0.3978 -0.3978 -0.3785 -0.3785 -0.0048 -0.0048 3.1666 3.1666 6.5710 6.5710 6.8021 6.8021 7.4268 7.4268 k =-0.0525 0.0627 0.0894 ( 3739 PWs) bands (ev): -17.6325 -17.6325 -16.6053 -16.6053 -16.0480 -16.0480 -15.9496 -15.9496 -5.8586 -5.8586 -4.6271 -4.6271 -3.5813 -3.5813 -2.9112 -2.9112 -2.8963 -2.8963 -1.6947 -1.6947 -1.6021 -1.6021 -1.5195 -1.5195 -0.8548 -0.8548 -0.4120 -0.4120 -0.3872 -0.3872 0.0076 0.0076 3.1962 3.1962 6.5825 6.5825 6.8041 6.8041 7.4229 7.4229 k =-0.0599 0.0717 0.1021 ( 3741 PWs) bands (ev): -17.6300 -17.6300 -16.6050 -16.6050 -16.0499 -16.0499 -15.9511 -15.9511 -5.8571 -5.8571 -4.6276 -4.6276 -3.5850 -3.5850 -2.9090 -2.9090 -2.8998 -2.8998 -1.6965 -1.6965 -1.6078 -1.6078 -1.5281 -1.5281 -0.8357 -0.8357 -0.4321 -0.4321 -0.3928 -0.3928 0.0213 0.0213 3.2296 3.2296 6.5955 6.5955 6.8063 6.8063 7.4182 7.4182 k =-0.0674 0.0806 0.1149 ( 3737 PWs) bands (ev): -17.6271 -17.6271 -16.6047 -16.6047 -16.0521 -16.0521 -15.9528 -15.9528 -5.8554 -5.8554 -4.6281 -4.6281 -3.5891 -3.5891 -2.9107 -2.9107 -2.8994 -2.8994 -1.6985 -1.6985 -1.6138 -1.6138 -1.5373 -1.5373 -0.8149 -0.8149 -0.4554 -0.4554 -0.3975 -0.3975 0.0361 0.0361 3.2665 3.2665 6.6099 6.6099 6.8087 6.8087 7.4127 7.4127 k =-0.0749 0.0896 0.1277 ( 3745 PWs) bands (ev): -17.6240 -17.6240 -16.6043 -16.6043 -16.0545 -16.0545 -15.9547 -15.9547 -5.8536 -5.8536 -4.6287 -4.6287 -3.5935 -3.5935 -2.9158 -2.9158 -2.8956 -2.8956 -1.7008 -1.7008 -1.6197 -1.6197 -1.5471 -1.5471 -0.7928 -0.7928 -0.4809 -0.4809 -0.4021 -0.4021 0.0517 0.0517 3.3066 3.3066 6.6257 6.6257 6.8114 6.8114 7.4064 7.4064 k =-0.0824 0.0985 0.1404 ( 3745 PWs) bands (ev): -17.6206 -17.6206 -16.6039 -16.6039 -16.0571 -16.0571 -15.9568 -15.9568 -5.8517 -5.8517 -4.6292 -4.6292 -3.5983 -3.5983 -2.9221 -2.9221 -2.8905 -2.8905 -1.7033 -1.7033 -1.6257 -1.6257 -1.5573 -1.5573 -0.7694 -0.7694 -0.5081 -0.5081 -0.4069 -0.4069 0.0681 0.0681 3.3496 3.3496 6.6427 6.6427 6.8143 6.8143 7.3992 7.3992 k =-0.0899 0.1075 0.1532 ( 3745 PWs) bands (ev): -17.6170 -17.6170 -16.6035 -16.6035 -16.0598 -16.0598 -15.9590 -15.9590 -5.8498 -5.8498 -4.6297 -4.6297 -3.6032 -3.6032 -2.9288 -2.9288 -2.8848 -2.8848 -1.7059 -1.7059 -1.6315 -1.6315 -1.5677 -1.5677 -0.7450 -0.7450 -0.5365 -0.5365 -0.4120 -0.4120 0.0850 0.0850 3.3951 3.3951 6.6606 6.6606 6.8173 6.8173 7.3909 7.3909 k =-0.0974 0.1164 0.1660 ( 3747 PWs) bands (ev): -17.6131 -17.6131 -16.6031 -16.6031 -16.0627 -16.0627 -15.9614 -15.9614 -5.8479 -5.8479 -4.6303 -4.6303 -3.6083 -3.6083 -2.9359 -2.9359 -2.8787 -2.8787 -1.7088 -1.7088 -1.6371 -1.6371 -1.5782 -1.5782 -0.7200 -0.7200 -0.5658 -0.5658 -0.4173 -0.4173 0.1023 0.1023 3.4429 3.4429 6.6795 6.6795 6.8205 6.8205 7.3817 7.3817 k =-0.1049 0.1254 0.1787 ( 3753 PWs) bands (ev): -17.6090 -17.6090 -16.6027 -16.6027 -16.0656 -16.0656 -15.9639 -15.9639 -5.8460 -5.8460 -4.6307 -4.6307 -3.6136 -3.6136 -2.9432 -2.9432 -2.8720 -2.8720 -1.7118 -1.7118 -1.6424 -1.6424 -1.5886 -1.5886 -0.6949 -0.6949 -0.5952 -0.5952 -0.4229 -0.4229 0.1197 0.1197 3.4926 3.4926 6.6990 6.6990 6.8239 6.8239 7.3714 7.3714 k =-0.1124 0.1344 0.1915 ( 3753 PWs) bands (ev): -17.6048 -17.6048 -16.6023 -16.6023 -16.0687 -16.0687 -15.9666 -15.9666 -5.8442 -5.8442 -4.6312 -4.6312 -3.6189 -3.6189 -2.9506 -2.9506 -2.8650 -2.8650 -1.7150 -1.7150 -1.6474 -1.6474 -1.5989 -1.5989 -0.6719 -0.6719 -0.6224 -0.6224 -0.4290 -0.4290 0.1371 0.1371 3.5439 3.5439 6.7191 6.7191 6.8273 6.8273 7.3599 7.3599 k =-0.1199 0.1433 0.2043 ( 3757 PWs) bands (ev): -17.6004 -17.6004 -16.6020 -16.6020 -16.0718 -16.0718 -15.9694 -15.9694 -5.8425 -5.8425 -4.6316 -4.6316 -3.6242 -3.6242 -2.9581 -2.9581 -2.8576 -2.8576 -1.7183 -1.7183 -1.6521 -1.6521 -1.6089 -1.6089 -0.6693 -0.6693 -0.6292 -0.6292 -0.4354 -0.4354 0.1545 0.1545 3.5965 3.5965 6.7395 6.7395 6.8308 6.8308 7.3472 7.3472 k =-0.1274 0.1523 0.2170 ( 3745 PWs) bands (ev): -17.5958 -17.5958 -16.6016 -16.6016 -16.0750 -16.0750 -15.9723 -15.9723 -5.8409 -5.8409 -4.6319 -4.6319 -3.6294 -3.6294 -2.9655 -2.9655 -2.8498 -2.8498 -1.7218 -1.7218 -1.6564 -1.6564 -1.6186 -1.6186 -0.6945 -0.6945 -0.6079 -0.6079 -0.4422 -0.4422 0.1715 0.1715 3.6500 3.6500 6.7599 6.7599 6.8344 6.8344 7.3334 7.3334 k =-0.1349 0.1612 0.2298 ( 3738 PWs) bands (ev): -17.5912 -17.5912 -16.6013 -16.6013 -16.0781 -16.0781 -15.9753 -15.9753 -5.8395 -5.8395 -4.6321 -4.6321 -3.6346 -3.6346 -2.9727 -2.9727 -2.8417 -2.8417 -1.7254 -1.7254 -1.6604 -1.6604 -1.6277 -1.6277 -0.7239 -0.7239 -0.5821 -0.5821 -0.4495 -0.4495 0.1882 0.1882 3.7043 3.7043 6.7802 6.7802 6.8381 6.8381 7.3183 7.3183 k =-0.1424 0.1702 0.2426 ( 3730 PWs) bands (ev): -17.5865 -17.5865 -16.6010 -16.6010 -16.0812 -16.0812 -15.9784 -15.9784 -5.8383 -5.8383 -4.6323 -4.6323 -3.6395 -3.6395 -2.9797 -2.9797 -2.8333 -2.8333 -1.7291 -1.7291 -1.6640 -1.6640 -1.6363 -1.6363 -0.7535 -0.7535 -0.5557 -0.5557 -0.4573 -0.4573 0.2043 0.2043 3.7589 3.7589 6.8000 6.8000 6.8419 6.8419 7.3020 7.3020 k =-0.1499 0.1792 0.2553 ( 3746 PWs) bands (ev): -17.5817 -17.5817 -16.6007 -16.6007 -16.0843 -16.0843 -15.9816 -15.9816 -5.8374 -5.8374 -4.6324 -4.6324 -3.6443 -3.6443 -2.9864 -2.9864 -2.8246 -2.8246 -1.7329 -1.7329 -1.6673 -1.6673 -1.6442 -1.6442 -0.7827 -0.7827 -0.5294 -0.5294 -0.4656 -0.4656 0.2198 0.2198 3.8137 3.8137 6.8190 6.8190 6.8459 6.8459 7.2845 7.2845 k =-0.1574 0.1881 0.2681 ( 3740 PWs) bands (ev): -17.5769 -17.5769 -16.6005 -16.6005 -16.0873 -16.0873 -15.9849 -15.9849 -5.8368 -5.8368 -4.6325 -4.6325 -3.6487 -3.6487 -2.9927 -2.9927 -2.8157 -2.8157 -1.7368 -1.7368 -1.6703 -1.6703 -1.6513 -1.6513 -0.8110 -0.8110 -0.5034 -0.5034 -0.4743 -0.4743 0.2346 0.2346 3.8683 3.8683 6.8362 6.8362 6.8508 6.8508 7.2657 7.2657 k =-0.1648 0.1971 0.2809 ( 3740 PWs) bands (ev): -17.5721 -17.5721 -16.6003 -16.6003 -16.0902 -16.0902 -15.9882 -15.9882 -5.8365 -5.8365 -4.6324 -4.6324 -3.6528 -3.6528 -2.9985 -2.9985 -2.8065 -2.8065 -1.7408 -1.7408 -1.6729 -1.6729 -1.6576 -1.6576 -0.8383 -0.8383 -0.4841 -0.4841 -0.4774 -0.4774 0.2485 0.2485 3.9225 3.9225 6.8477 6.8477 6.8603 6.8603 7.2459 7.2459 k =-0.1723 0.2060 0.2936 ( 3736 PWs) bands (ev): -17.5673 -17.5673 -16.6003 -16.6003 -16.0930 -16.0930 -15.9916 -15.9916 -5.8366 -5.8366 -4.6323 -4.6323 -3.6565 -3.6565 -3.0038 -3.0038 -2.7972 -2.7972 -1.7448 -1.7448 -1.6753 -1.6753 -1.6631 -1.6631 -0.8644 -0.8644 -0.4936 -0.4936 -0.4527 -0.4527 0.2616 0.2616 3.9759 3.9759 6.8531 6.8531 6.8746 6.8746 7.2249 7.2249 k =-0.1798 0.2150 0.3064 ( 3728 PWs) bands (ev): -17.5626 -17.5626 -16.6002 -16.6002 -16.0956 -16.0956 -15.9950 -15.9950 -5.8371 -5.8371 -4.6321 -4.6321 -3.6597 -3.6597 -3.0085 -3.0085 -2.7877 -2.7877 -1.7488 -1.7488 -1.6774 -1.6774 -1.6677 -1.6677 -0.8890 -0.8890 -0.5040 -0.5040 -0.4285 -0.4285 0.2737 0.2737 4.0285 4.0285 6.8568 6.8568 6.8889 6.8889 7.2028 7.2028 k =-0.1873 0.2239 0.3192 ( 3728 PWs) bands (ev): -17.5580 -17.5580 -16.6003 -16.6003 -16.0980 -16.0980 -15.9984 -15.9984 -5.8380 -5.8380 -4.6318 -4.6318 -3.6624 -3.6624 -3.0125 -3.0125 -2.7781 -2.7781 -1.7528 -1.7528 -1.6792 -1.6792 -1.6714 -1.6714 -0.9122 -0.9122 -0.5150 -0.5150 -0.4053 -0.4053 0.2847 0.2847 4.0798 4.0798 6.8601 6.8601 6.9018 6.9018 7.1798 7.1798 k =-0.1948 0.2329 0.3319 ( 3730 PWs) bands (ev): -17.5535 -17.5535 -16.6004 -16.6004 -16.1002 -16.1002 -16.0019 -16.0019 -5.8394 -5.8394 -4.6315 -4.6315 -3.6645 -3.6645 -3.0158 -3.0158 -2.7684 -2.7684 -1.7568 -1.7568 -1.6806 -1.6806 -1.6741 -1.6741 -0.9337 -0.9337 -0.5264 -0.5264 -0.3829 -0.3829 0.2946 0.2946 4.1298 4.1298 6.8631 6.8631 6.9130 6.9130 7.1560 7.1560 k =-0.2023 0.2419 0.3447 ( 3730 PWs) bands (ev): -17.5491 -17.5491 -16.6006 -16.6006 -16.1021 -16.1021 -16.0053 -16.0053 -5.8412 -5.8412 -4.6311 -4.6311 -3.6660 -3.6660 -3.0182 -3.0182 -2.7587 -2.7587 -1.7608 -1.7608 -1.6817 -1.6817 -1.6760 -1.6760 -0.9535 -0.9535 -0.5384 -0.5384 -0.3617 -0.3617 0.3034 0.3034 4.1781 4.1781 6.8659 6.8659 6.9222 6.9222 7.1314 7.1314 k =-0.2098 0.2508 0.3575 ( 3726 PWs) bands (ev): -17.5449 -17.5449 -16.6009 -16.6009 -16.1038 -16.1038 -16.0088 -16.0088 -5.8436 -5.8436 -4.6308 -4.6308 -3.6669 -3.6669 -3.0199 -3.0199 -2.7489 -2.7489 -1.7648 -1.7648 -1.6825 -1.6825 -1.6770 -1.6770 -0.9715 -0.9715 -0.5510 -0.5510 -0.3417 -0.3417 0.3110 0.3110 4.2246 4.2246 6.8685 6.8685 6.9292 6.9292 7.1063 7.1063 k =-0.2173 0.2598 0.3702 ( 3718 PWs) bands (ev): -17.5409 -17.5409 -16.6013 -16.6013 -16.1052 -16.1052 -16.0122 -16.0122 -5.8464 -5.8464 -4.6304 -4.6304 -3.6671 -3.6671 -3.0207 -3.0207 -2.7391 -2.7391 -1.7686 -1.7686 -1.6828 -1.6828 -1.6771 -1.6771 -0.9877 -0.9877 -0.5640 -0.5640 -0.3230 -0.3230 0.3174 0.3174 4.2690 4.2690 6.8709 6.8709 6.9341 6.9341 7.0806 7.0806 k =-0.2248 0.2687 0.3830 ( 3720 PWs) bands (ev): -17.5371 -17.5371 -16.6018 -16.6018 -16.1063 -16.1063 -16.0156 -16.0156 -5.8498 -5.8498 -4.6300 -4.6300 -3.6665 -3.6665 -3.0206 -3.0206 -2.7293 -2.7293 -1.7724 -1.7724 -1.6827 -1.6827 -1.6763 -1.6763 -1.0021 -1.0021 -0.5775 -0.5775 -0.3056 -0.3056 0.3226 0.3226 4.3113 4.3113 6.8730 6.8730 6.9366 6.9366 7.0546 7.0546 k =-0.2323 0.2777 0.3958 ( 3716 PWs) bands (ev): -17.5335 -17.5335 -16.6024 -16.6024 -16.1071 -16.1071 -16.0189 -16.0189 -5.8536 -5.8536 -4.6296 -4.6296 -3.6652 -3.6652 -3.0196 -3.0196 -2.7197 -2.7197 -1.7761 -1.7761 -1.6823 -1.6823 -1.6745 -1.6745 -1.0147 -1.0147 -0.5914 -0.5914 -0.2896 -0.2896 0.3265 0.3265 4.3511 4.3511 6.8749 6.8749 6.9368 6.9368 7.0284 7.0284 k =-0.2398 0.2866 0.4085 ( 3716 PWs) bands (ev): -17.5302 -17.5302 -16.6031 -16.6031 -16.1076 -16.1076 -16.0222 -16.0222 -5.8580 -5.8580 -4.6292 -4.6292 -3.6631 -3.6631 -3.0177 -3.0177 -2.7101 -2.7101 -1.7796 -1.7796 -1.6813 -1.6813 -1.6718 -1.6718 -1.0256 -1.0256 -0.6057 -0.6057 -0.2752 -0.2752 0.3291 0.3291 4.3885 4.3885 6.8766 6.8766 6.9347 6.9347 7.0022 7.0022 k =-0.2473 0.2956 0.4213 ( 3718 PWs) bands (ev): -17.5271 -17.5271 -16.6039 -16.6039 -16.1078 -16.1078 -16.0254 -16.0254 -5.8628 -5.8628 -4.6289 -4.6289 -3.6602 -3.6602 -3.0149 -3.0149 -2.7006 -2.7006 -1.7831 -1.7831 -1.6798 -1.6798 -1.6682 -1.6682 -1.0347 -1.0347 -0.6204 -0.6204 -0.2624 -0.2624 0.3305 0.3305 4.4233 4.4233 6.8780 6.8780 6.9301 6.9301 6.9763 6.9763 k =-0.2548 0.3046 0.4341 ( 3722 PWs) bands (ev): -17.5243 -17.5243 -16.6048 -16.6048 -16.1076 -16.1076 -16.0286 -16.0286 -5.8682 -5.8682 -4.6287 -4.6287 -3.6565 -3.6565 -3.0112 -3.0112 -2.6913 -2.6913 -1.7863 -1.7863 -1.6777 -1.6777 -1.6638 -1.6638 -1.0422 -1.0422 -0.6354 -0.6354 -0.2512 -0.2512 0.3307 0.3307 4.4553 4.4553 6.8792 6.8792 6.9230 6.9230 6.9510 6.9510 k =-0.2623 0.3135 0.4468 ( 3722 PWs) bands (ev): -17.5217 -17.5217 -16.6058 -16.6058 -16.1070 -16.1070 -16.0317 -16.0317 -5.8740 -5.8740 -4.6286 -4.6286 -3.6519 -3.6519 -3.0066 -3.0066 -2.6822 -2.6822 -1.7894 -1.7894 -1.6747 -1.6747 -1.6587 -1.6587 -1.0482 -1.0482 -0.6506 -0.6506 -0.2417 -0.2417 0.3297 0.3297 4.4846 4.4846 6.8800 6.8800 6.9118 6.9118 6.9281 6.9281 k =-0.2697 0.3225 0.4596 ( 3724 PWs) bands (ev): -17.5194 -17.5194 -16.6069 -16.6069 -16.1062 -16.1062 -16.0347 -16.0347 -5.8803 -5.8803 -4.6285 -4.6285 -3.6465 -3.6465 -3.0011 -3.0011 -2.6733 -2.6733 -1.7923 -1.7923 -1.6709 -1.6709 -1.6529 -1.6529 -1.0527 -1.0527 -0.6661 -0.6661 -0.2339 -0.2339 0.3274 0.3274 4.5110 4.5110 6.8800 6.8800 6.8935 6.8935 6.9114 6.9114 k =-0.2772 0.3314 0.4724 ( 3728 PWs) bands (ev): -17.5174 -17.5174 -16.6080 -16.6080 -16.1050 -16.1050 -16.0376 -16.0376 -5.8869 -5.8869 -4.6286 -4.6286 -3.6403 -3.6403 -2.9948 -2.9948 -2.6646 -2.6646 -1.7950 -1.7950 -1.6661 -1.6661 -1.6466 -1.6466 -1.0559 -1.0559 -0.6817 -0.6817 -0.2279 -0.2279 0.3240 0.3240 4.5345 4.5345 6.8690 6.8690 6.8807 6.8807 6.8988 6.8988 k =-0.2847 0.3404 0.4851 ( 3736 PWs) bands (ev): -17.5157 -17.5157 -16.6093 -16.6093 -16.1034 -16.1034 -16.0405 -16.0405 -5.8940 -5.8940 -4.6288 -4.6288 -3.6332 -3.6332 -2.9877 -2.9877 -2.6562 -2.6562 -1.7975 -1.7975 -1.6602 -1.6602 -1.6398 -1.6398 -1.0579 -1.0579 -0.6973 -0.6973 -0.2237 -0.2237 0.3195 0.3195 4.5552 4.5552 6.8456 6.8456 6.8758 6.8758 6.8894 6.8894 k =-0.2922 0.3493 0.4979 ( 3734 PWs) bands (ev): -17.5143 -17.5143 -16.6106 -16.6106 -16.1016 -16.1016 -16.0432 -16.0432 -5.9013 -5.9013 -4.6291 -4.6291 -3.6253 -3.6253 -2.9798 -2.9798 -2.6481 -2.6481 -1.7998 -1.7998 -1.6532 -1.6532 -1.6326 -1.6326 -1.0587 -1.0587 -0.7129 -0.7129 -0.2214 -0.2214 0.3139 0.3139 4.5731 4.5731 6.8221 6.8221 6.8639 6.8639 6.8862 6.8862 k =-0.2997 0.3583 0.5107 ( 3734 PWs) bands (ev): -17.5131 -17.5131 -16.6120 -16.6120 -16.0994 -16.0994 -16.0458 -16.0458 -5.9090 -5.9090 -4.6295 -4.6295 -3.6166 -3.6166 -2.9713 -2.9713 -2.6403 -2.6403 -1.8019 -1.8019 -1.6450 -1.6450 -1.6251 -1.6251 -1.0586 -1.0586 -0.7283 -0.7283 -0.2209 -0.2209 0.3074 0.3074 4.5882 4.5882 6.7991 6.7991 6.8485 6.8485 6.8853 6.8853 k =-0.3072 0.3673 0.5234 ( 3730 PWs) bands (ev): -17.5122 -17.5122 -16.6135 -16.6135 -16.0970 -16.0970 -16.0484 -16.0484 -5.9170 -5.9170 -4.6301 -4.6301 -3.6071 -3.6071 -2.9622 -2.9622 -2.6328 -2.6328 -1.8037 -1.8037 -1.6354 -1.6354 -1.6175 -1.6175 -1.0576 -1.0576 -0.7435 -0.7435 -0.2223 -0.2223 0.2998 0.2998 4.6006 4.6006 6.7768 6.7768 6.8316 6.8316 6.8849 6.8849 k =-0.3147 0.3762 0.5362 ( 3728 PWs) bands (ev): -17.5116 -17.5116 -16.6151 -16.6151 -16.0943 -16.0943 -16.0508 -16.0508 -5.9252 -5.9252 -4.6308 -4.6308 -3.5968 -3.5968 -2.9524 -2.9524 -2.6256 -2.6256 -1.8053 -1.8053 -1.6245 -1.6245 -1.6099 -1.6099 -1.0558 -1.0558 -0.7583 -0.7583 -0.2256 -0.2256 0.2914 0.2914 4.6106 4.6106 6.7551 6.7551 6.8138 6.8138 6.8844 6.8844 k =-0.3222 0.3852 0.5490 ( 3736 PWs) bands (ev): -17.5112 -17.5112 -16.6167 -16.6167 -16.0914 -16.0914 -16.0531 -16.0531 -5.9335 -5.9335 -4.6317 -4.6317 -3.5858 -3.5858 -2.9422 -2.9422 -2.6187 -2.6187 -1.8067 -1.8067 -1.6123 -1.6123 -1.6023 -1.6023 -1.0534 -1.0534 -0.7727 -0.7727 -0.2308 -0.2308 0.2822 0.2822 4.6181 4.6181 6.7342 6.7342 6.7953 6.7953 6.8840 6.8840 k =-0.3297 0.3941 0.5617 ( 3732 PWs) bands (ev): -17.5110 -17.5110 -16.6183 -16.6183 -16.0883 -16.0883 -16.0553 -16.0553 -5.9420 -5.9420 -4.6327 -4.6327 -3.5742 -3.5742 -2.9316 -2.9316 -2.6123 -2.6123 -1.8079 -1.8079 -1.5993 -1.5993 -1.5944 -1.5944 -1.0504 -1.0504 -0.7865 -0.7865 -0.2379 -0.2379 0.2722 0.2722 4.6233 4.6233 6.7140 6.7140 6.7764 6.7764 6.8834 6.8834 k =-0.3297 0.3941 0.5617 ( 3732 PWs) bands (ev): -17.5110 -17.5110 -16.6183 -16.6183 -16.0883 -16.0883 -16.0553 -16.0553 -5.9420 -5.9420 -4.6327 -4.6327 -3.5742 -3.5742 -2.9316 -2.9316 -2.6123 -2.6123 -1.8079 -1.8079 -1.5993 -1.5993 -1.5944 -1.5944 -1.0504 -1.0504 -0.7865 -0.7865 -0.2379 -0.2379 0.2722 0.2722 4.6233 4.6233 6.7140 6.7140 6.7764 6.7764 6.8834 6.8834 k =-0.3215 0.3844 0.5734 ( 3735 PWs) bands (ev): -17.5105 -17.5105 -16.6190 -16.6190 -16.0882 -16.0882 -16.0553 -16.0553 -5.9408 -5.9408 -4.6335 -4.6335 -3.5741 -3.5741 -2.9328 -2.9328 -2.6154 -2.6154 -1.8092 -1.8092 -1.5959 -1.5959 -1.5914 -1.5914 -1.0500 -1.0500 -0.7866 -0.7866 -0.2377 -0.2377 0.2717 0.2717 4.6249 4.6249 6.7144 6.7144 6.7729 6.7729 6.8857 6.8857 k =-0.3134 0.3747 0.5850 ( 3731 PWs) bands (ev): -17.5089 -17.5089 -16.6212 -16.6212 -16.0880 -16.0880 -16.0553 -16.0553 -5.9372 -5.9372 -4.6359 -4.6359 -3.5740 -3.5740 -2.9365 -2.9365 -2.6245 -2.6245 -1.8130 -1.8130 -1.5864 -1.5864 -1.5823 -1.5823 -1.0488 -1.0488 -0.7868 -0.7868 -0.2371 -0.2371 0.2700 0.2700 4.6295 4.6295 6.7158 6.7158 6.7633 6.7633 6.8919 6.8919 k =-0.3053 0.3649 0.5966 ( 3729 PWs) bands (ev): -17.5063 -17.5063 -16.6247 -16.6247 -16.0876 -16.0876 -16.0554 -16.0554 -5.9313 -5.9313 -4.6400 -4.6400 -3.5738 -3.5738 -2.9425 -2.9425 -2.6392 -2.6392 -1.8193 -1.8193 -1.5720 -1.5720 -1.5664 -1.5664 -1.0468 -1.0468 -0.7871 -0.7871 -0.2361 -0.2361 0.2672 0.2672 4.6371 4.6371 6.7180 6.7180 6.7492 6.7492 6.9004 6.9004 k =-0.2971 0.3552 0.6082 ( 3735 PWs) bands (ev): -17.5026 -17.5026 -16.6297 -16.6297 -16.0871 -16.0871 -16.0555 -16.0555 -5.9230 -5.9230 -4.6456 -4.6456 -3.5736 -3.5736 -2.9503 -2.9503 -2.6589 -2.6589 -1.8282 -1.8282 -1.5532 -1.5532 -1.5441 -1.5441 -1.0440 -1.0440 -0.7875 -0.7875 -0.2348 -0.2348 0.2632 0.2632 4.6478 4.6478 6.7193 6.7193 6.7335 6.7335 6.9099 6.9099 k =-0.2890 0.3454 0.6198 ( 3741 PWs) bands (ev): -17.4979 -17.4979 -16.6360 -16.6360 -16.0865 -16.0865 -16.0557 -16.0557 -5.9124 -5.9124 -4.6528 -4.6528 -3.5734 -3.5734 -2.9598 -2.9598 -2.6827 -2.6827 -1.8395 -1.8395 -1.5301 -1.5301 -1.5166 -1.5166 -1.0404 -1.0404 -0.7881 -0.7881 -0.2331 -0.2331 0.2582 0.2582 4.6613 4.6613 6.7072 6.7072 6.7296 6.7296 6.9196 6.9196 k =-0.2808 0.3357 0.6314 ( 3739 PWs) bands (ev): -17.4921 -17.4921 -16.6437 -16.6437 -16.0857 -16.0857 -16.0559 -16.0559 -5.8995 -5.8995 -4.6615 -4.6615 -3.5732 -3.5732 -2.9704 -2.9704 -2.7101 -2.7101 -1.8532 -1.8532 -1.5030 -1.5030 -1.4849 -1.4849 -1.0360 -1.0360 -0.7888 -0.7888 -0.2310 -0.2310 0.2521 0.2521 4.6778 4.6778 6.6854 6.6854 6.7345 6.7345 6.9291 6.9291 k =-0.2727 0.3260 0.6430 ( 3739 PWs) bands (ev): -17.4853 -17.4853 -16.6527 -16.6527 -16.0848 -16.0848 -16.0561 -16.0561 -5.8845 -5.8845 -4.6718 -4.6718 -3.5732 -3.5732 -2.9816 -2.9816 -2.7400 -2.7400 -1.8693 -1.8693 -1.4723 -1.4723 -1.4499 -1.4499 -1.0308 -1.0308 -0.7896 -0.7896 -0.2286 -0.2286 0.2450 0.2450 4.6970 4.6970 6.6610 6.6610 6.7414 6.7414 6.9381 6.9381 k =-0.2645 0.3162 0.6546 ( 3739 PWs) bands (ev): -17.4775 -17.4775 -16.6631 -16.6631 -16.0838 -16.0838 -16.0564 -16.0564 -5.8673 -5.8673 -4.6835 -4.6835 -3.5733 -3.5733 -2.9931 -2.9931 -2.7720 -2.7720 -1.8877 -1.8877 -1.4385 -1.4385 -1.4123 -1.4123 -1.0247 -1.0247 -0.7905 -0.7905 -0.2258 -0.2258 0.2368 0.2368 4.7189 4.7189 6.6347 6.6347 6.7497 6.7497 6.9463 6.9463 k =-0.2564 0.3065 0.6663 ( 3745 PWs) bands (ev): -17.4687 -17.4687 -16.6747 -16.6747 -16.0826 -16.0826 -16.0567 -16.0567 -5.8481 -5.8481 -4.6967 -4.6967 -3.5736 -3.5736 -3.0042 -3.0042 -2.8054 -2.8054 -1.9084 -1.9084 -1.4021 -1.4021 -1.3731 -1.3731 -1.0177 -1.0177 -0.7915 -0.7915 -0.2226 -0.2226 0.2277 0.2277 4.7434 4.7434 6.6068 6.6068 6.7595 6.7595 6.9536 6.9536 k =-0.2482 0.2968 0.6779 ( 3741 PWs) bands (ev): -17.4589 -17.4589 -16.6875 -16.6875 -16.0813 -16.0813 -16.0570 -16.0570 -5.8269 -5.8269 -4.7114 -4.7114 -3.5742 -3.5742 -3.0146 -3.0146 -2.8397 -2.8397 -1.9312 -1.9312 -1.3636 -1.3636 -1.3327 -1.3327 -1.0098 -1.0098 -0.7926 -0.7926 -0.2192 -0.2192 0.2176 0.2176 4.7703 4.7703 6.5773 6.5773 6.7708 6.7708 6.9598 6.9598 k =-0.2401 0.2870 0.6895 ( 3735 PWs) bands (ev): -17.4481 -17.4481 -16.7014 -16.7014 -16.0799 -16.0799 -16.0573 -16.0573 -5.8038 -5.8038 -4.7274 -4.7274 -3.5751 -3.5751 -3.0239 -3.0239 -2.8744 -2.8744 -1.9560 -1.9560 -1.3235 -1.3235 -1.2920 -1.2920 -1.0009 -1.0009 -0.7938 -0.7938 -0.2154 -0.2154 0.2066 0.2066 4.7995 4.7995 6.5465 6.5465 6.7836 6.7836 6.9648 6.9648 k =-0.2319 0.2773 0.7011 ( 3733 PWs) bands (ev): -17.4364 -17.4364 -16.7165 -16.7165 -16.0784 -16.0784 -16.0577 -16.0577 -5.7791 -5.7791 -4.7447 -4.7447 -3.5763 -3.5763 -3.0318 -3.0318 -2.9092 -2.9092 -1.9829 -1.9829 -1.2821 -1.2821 -1.2515 -1.2515 -0.9908 -0.9908 -0.7951 -0.7951 -0.2113 -0.2113 0.1948 0.1948 4.8309 4.8309 6.5143 6.5143 6.7981 6.7981 6.9684 6.9684 k =-0.2238 0.2675 0.7127 ( 3727 PWs) bands (ev): -17.4238 -17.4238 -16.7327 -16.7327 -16.0767 -16.0767 -16.0581 -16.0581 -5.7526 -5.7526 -4.7633 -4.7633 -3.5778 -3.5778 -3.0379 -3.0379 -2.9438 -2.9438 -2.0117 -2.0117 -1.2400 -1.2400 -1.2119 -1.2119 -0.9793 -0.9793 -0.7964 -0.7964 -0.2069 -0.2069 0.1821 0.1821 4.8644 4.8644 6.4808 6.4808 6.8142 6.8142 6.9706 6.9706 k =-0.2157 0.2578 0.7243 ( 3731 PWs) bands (ev): -17.4103 -17.4103 -16.7498 -16.7498 -16.0750 -16.0750 -16.0586 -16.0586 -5.7246 -5.7246 -4.7831 -4.7831 -3.5795 -3.5795 -3.0420 -3.0420 -2.9779 -2.9779 -2.0422 -2.0422 -1.1976 -1.1976 -1.1739 -1.1739 -0.9662 -0.9662 -0.7979 -0.7979 -0.2022 -0.2022 0.1687 0.1687 4.8998 4.8998 6.4459 6.4459 6.8321 6.8321 6.9712 6.9712 k =-0.2075 0.2481 0.7359 ( 3729 PWs) bands (ev): -17.3959 -17.3959 -16.7679 -16.7679 -16.0732 -16.0732 -16.0590 -16.0590 -5.6953 -5.6953 -4.8041 -4.8041 -3.5814 -3.5814 -3.0441 -3.0441 -3.0113 -3.0113 -2.0745 -2.0745 -1.1554 -1.1554 -1.1380 -1.1380 -0.9512 -0.9512 -0.7994 -0.7994 -0.1971 -0.1971 0.1546 0.1546 4.9369 4.9369 6.4098 6.4098 6.8518 6.8518 6.9702 6.9702 k =-0.1994 0.2383 0.7475 ( 3725 PWs) bands (ev): -17.3807 -17.3807 -16.7869 -16.7869 -16.0713 -16.0713 -16.0595 -16.0595 -5.6647 -5.6647 -4.8261 -4.8261 -3.5834 -3.5834 -3.0453 -3.0453 -3.0423 -3.0423 -2.1085 -2.1085 -1.1140 -1.1140 -1.1047 -1.1047 -0.9339 -0.9339 -0.8010 -0.8010 -0.1918 -0.1918 0.1398 0.1398 4.9756 4.9756 6.3724 6.3724 6.8734 6.8734 6.9673 6.9673 k =-0.1912 0.2286 0.7592 ( 3731 PWs) bands (ev): -17.3647 -17.3647 -16.8068 -16.8068 -16.0693 -16.0693 -16.0601 -16.0601 -5.6329 -5.6329 -4.8492 -4.8492 -3.5852 -3.5852 -3.0753 -3.0753 -3.0412 -3.0412 -2.1439 -2.1439 -1.0785 -1.0785 -1.0699 -1.0699 -0.9141 -0.9141 -0.8026 -0.8026 -0.1861 -0.1861 0.1245 0.1245 5.0159 5.0159 6.3336 6.3336 6.8966 6.8966 6.9628 6.9628 k =-0.1831 0.2189 0.7708 ( 3733 PWs) bands (ev): -17.3479 -17.3479 -16.8273 -16.8273 -16.0672 -16.0672 -16.0606 -16.0606 -5.6002 -5.6002 -4.8733 -4.8733 -3.5869 -3.5869 -3.1055 -3.1055 -3.0364 -3.0364 -2.1808 -2.1808 -1.0524 -1.0524 -1.0307 -1.0307 -0.8919 -0.8919 -0.8044 -0.8044 -0.1801 -0.1801 0.1087 0.1087 5.0575 5.0575 6.2934 6.2934 6.9214 6.9214 6.9568 6.9568 k =-0.1749 0.2091 0.7824 ( 3732 PWs) bands (ev): -17.3303 -17.3303 -16.8486 -16.8486 -16.0650 -16.0650 -16.0612 -16.0612 -5.5667 -5.5667 -4.8983 -4.8983 -3.5881 -3.5881 -3.1344 -3.1344 -3.0293 -3.0293 -2.2190 -2.2190 -1.0307 -1.0307 -0.9921 -0.9921 -0.8677 -0.8677 -0.8061 -0.8061 -0.1737 -0.1737 0.0923 0.0923 5.1004 5.1004 6.2517 6.2517 6.9430 6.9430 6.9542 6.9542 k =-0.1749 0.2091 0.7824 ( 3732 PWs) bands (ev): -17.3303 -17.3303 -16.8486 -16.8486 -16.0650 -16.0650 -16.0612 -16.0612 -5.5667 -5.5667 -4.8983 -4.8983 -3.5881 -3.5881 -3.1344 -3.1344 -3.0293 -3.0293 -2.2190 -2.2190 -1.0307 -1.0307 -0.9921 -0.9921 -0.8677 -0.8677 -0.8061 -0.8061 -0.1737 -0.1737 0.0923 0.0923 5.1004 5.1004 6.2517 6.2517 6.9430 6.9430 6.9542 6.9542 k =-0.1640 0.1961 0.7824 ( 3735 PWs) bands (ev): -17.3171 -17.3171 -16.8628 -16.8628 -16.0655 -16.0655 -16.0610 -16.0610 -5.5420 -5.5420 -4.9171 -4.9171 -3.5896 -3.5896 -3.1617 -3.1617 -3.0239 -3.0239 -2.2476 -2.2476 -1.0158 -1.0158 -0.9717 -0.9717 -0.8560 -0.8560 -0.8020 -0.8020 -0.1625 -0.1625 0.0889 0.0889 5.1307 5.1307 6.2173 6.2173 6.9480 6.9480 6.9655 6.9655 k =-0.1531 0.1830 0.7824 ( 3734 PWs) bands (ev): -17.3036 -17.3036 -16.8772 -16.8772 -16.0660 -16.0660 -16.0609 -16.0609 -5.5177 -5.5177 -4.9363 -4.9363 -3.5897 -3.5897 -3.1882 -3.1882 -3.0167 -3.0167 -2.2771 -2.2771 -1.0015 -1.0015 -0.9527 -0.9527 -0.8442 -0.8442 -0.7979 -0.7979 -0.1515 -0.1515 0.0851 0.0851 5.1614 5.1614 6.1818 6.1818 6.9502 6.9502 6.9772 6.9772 k =-0.1421 0.1699 0.7824 ( 3738 PWs) bands (ev): -17.2898 -17.2898 -16.8919 -16.8919 -16.0663 -16.0663 -16.0608 -16.0608 -5.4938 -5.4938 -4.9557 -4.9557 -3.5885 -3.5885 -3.2138 -3.2138 -3.0077 -3.0077 -2.3074 -2.3074 -0.9878 -0.9878 -0.9353 -0.9353 -0.8323 -0.8323 -0.7937 -0.7937 -0.1406 -0.1406 0.0809 0.0809 5.1924 5.1924 6.1453 6.1453 6.9516 6.9516 6.9874 6.9874 k =-0.1312 0.1568 0.7824 ( 3738 PWs) bands (ev): -17.2758 -17.2758 -16.9068 -16.9068 -16.0665 -16.0665 -16.0608 -16.0608 -5.4704 -5.4704 -4.9755 -4.9755 -3.5859 -3.5859 -3.2386 -3.2386 -2.9969 -2.9969 -2.3386 -2.3386 -0.9747 -0.9747 -0.9195 -0.9195 -0.8205 -0.8205 -0.7892 -0.7892 -0.1298 -0.1298 0.0765 0.0765 5.2237 5.2237 6.1081 6.1081 6.9524 6.9524 6.9958 6.9958 k =-0.1203 0.1438 0.7824 ( 3735 PWs) bands (ev): -17.2615 -17.2615 -16.9218 -16.9218 -16.0667 -16.0667 -16.0608 -16.0608 -5.4475 -5.4475 -4.9954 -4.9954 -3.5820 -3.5820 -3.2626 -3.2626 -2.9842 -2.9842 -2.3704 -2.3704 -0.9623 -0.9623 -0.9056 -0.9056 -0.8090 -0.8090 -0.7845 -0.7845 -0.1192 -0.1192 0.0716 0.0716 5.2555 5.2555 6.0701 6.0701 6.9531 6.9531 7.0022 7.0022 k =-0.1093 0.1307 0.7824 ( 3745 PWs) bands (ev): -17.2470 -17.2470 -16.9370 -16.9370 -16.0668 -16.0668 -16.0609 -16.0609 -5.4250 -5.4250 -5.0155 -5.0155 -3.5769 -3.5769 -3.2857 -3.2857 -2.9697 -2.9697 -2.4027 -2.4027 -0.9506 -0.9506 -0.8936 -0.8936 -0.7980 -0.7980 -0.7796 -0.7796 -0.1087 -0.1087 0.0664 0.0664 5.2877 5.2877 6.0315 6.0315 6.9537 6.9537 7.0067 7.0067 k =-0.0984 0.1176 0.7824 ( 3747 PWs) bands (ev): -17.2324 -17.2324 -16.9524 -16.9524 -16.0667 -16.0667 -16.0611 -16.0611 -5.4030 -5.4030 -5.0357 -5.0357 -3.5706 -3.5706 -3.3080 -3.3080 -2.9533 -2.9533 -2.4356 -2.4356 -0.9395 -0.9395 -0.8836 -0.8836 -0.7876 -0.7876 -0.7743 -0.7743 -0.0982 -0.0982 0.0608 0.0608 5.3204 5.3204 5.9925 5.9925 6.9543 6.9543 7.0093 7.0093 k =-0.0875 0.1046 0.7824 ( 3751 PWs) bands (ev): -17.2175 -17.2175 -16.9679 -16.9679 -16.0667 -16.0667 -16.0613 -16.0613 -5.3813 -5.3813 -5.0560 -5.0560 -3.5632 -3.5632 -3.3294 -3.3294 -2.9350 -2.9350 -2.4688 -2.4688 -0.9291 -0.9291 -0.8757 -0.8757 -0.7781 -0.7781 -0.7687 -0.7687 -0.0877 -0.0877 0.0548 0.0548 5.3535 5.3535 5.9532 5.9532 6.9553 6.9553 7.0101 7.0101 k =-0.0765 0.0915 0.7824 ( 3749 PWs) bands (ev): -17.2025 -17.2025 -16.9835 -16.9835 -16.0665 -16.0665 -16.0616 -16.0616 -5.3600 -5.3600 -5.0762 -5.0762 -3.5548 -3.5548 -3.3500 -3.3500 -2.9150 -2.9150 -2.5023 -2.5023 -0.9194 -0.9194 -0.8698 -0.8698 -0.7696 -0.7696 -0.7630 -0.7630 -0.0773 -0.0773 0.0483 0.0483 5.3873 5.3873 5.9136 5.9136 6.9565 6.9565 7.0093 7.0093 k =-0.0656 0.0784 0.7824 ( 3763 PWs) bands (ev): -17.1873 -17.1873 -16.9992 -16.9992 -16.0663 -16.0663 -16.0619 -16.0619 -5.3391 -5.3391 -5.0965 -5.0965 -3.5454 -3.5454 -3.3697 -3.3697 -2.8933 -2.8933 -2.5358 -2.5358 -0.9103 -0.9103 -0.8657 -0.8657 -0.7622 -0.7622 -0.7573 -0.7573 -0.0670 -0.0670 0.0415 0.0415 5.4215 5.4215 5.8740 5.8740 6.9582 6.9582 7.0072 7.0072 k =-0.0547 0.0654 0.7824 ( 3767 PWs) bands (ev): -17.1720 -17.1720 -17.0149 -17.0149 -16.0661 -16.0661 -16.0622 -16.0622 -5.3184 -5.3184 -5.1167 -5.1167 -3.5351 -3.5351 -3.3886 -3.3886 -2.8698 -2.8698 -2.5694 -2.5694 -0.9019 -0.9019 -0.8633 -0.8633 -0.7558 -0.7558 -0.7519 -0.7519 -0.0568 -0.0568 0.0342 0.0342 5.4564 5.4564 5.8343 5.8343 6.9605 6.9605 7.0040 7.0040 k =-0.0437 0.0523 0.7824 ( 3765 PWs) bands (ev): -17.1566 -17.1566 -17.0307 -17.0307 -16.0658 -16.0658 -16.0626 -16.0626 -5.2979 -5.2979 -5.1369 -5.1369 -3.5239 -3.5239 -3.4067 -3.4067 -2.8448 -2.8448 -2.6027 -2.6027 -0.8942 -0.8942 -0.8624 -0.8624 -0.7505 -0.7505 -0.7472 -0.7472 -0.0466 -0.0466 0.0265 0.0265 5.4919 5.4919 5.7948 5.7948 6.9633 6.9633 6.9999 6.9999 k =-0.0328 0.0392 0.7824 ( 3763 PWs) bands (ev): -17.1410 -17.1410 -17.0465 -17.0465 -16.0654 -16.0654 -16.0630 -16.0630 -5.2776 -5.2776 -5.1571 -5.1571 -3.5119 -3.5119 -3.4240 -3.4240 -2.8183 -2.8183 -2.6357 -2.6357 -0.8872 -0.8872 -0.8628 -0.8628 -0.7461 -0.7461 -0.7435 -0.7435 -0.0366 -0.0366 0.0185 0.0185 5.5279 5.5279 5.7555 5.7555 6.9667 6.9667 6.9952 6.9952 k =-0.0219 0.0261 0.7824 ( 3763 PWs) bands (ev): -17.1254 -17.1254 -17.0623 -17.0623 -16.0651 -16.0651 -16.0634 -16.0634 -5.2574 -5.2574 -5.1772 -5.1772 -3.4992 -3.4992 -3.4405 -3.4405 -2.7905 -2.7905 -2.6683 -2.6683 -0.8809 -0.8809 -0.8645 -0.8645 -0.7428 -0.7428 -0.7410 -0.7410 -0.0268 -0.0268 0.0101 0.0101 5.5646 5.5646 5.7164 5.7164 6.9706 6.9706 6.9901 6.9902 k =-0.0109 0.0131 0.7824 ( 3765 PWs) bands (ev): -17.1097 -17.1097 -17.0781 -17.0781 -16.0647 -16.0647 -16.0638 -16.0638 -5.2373 -5.2373 -5.1972 -5.1972 -3.4856 -3.4856 -3.4563 -3.4563 -2.7614 -2.7614 -2.7002 -2.7002 -0.8755 -0.8755 -0.8672 -0.8672 -0.7406 -0.7406 -0.7396 -0.7396 -0.0172 -0.0172 0.0013 0.0013 5.6018 5.6018 5.6777 5.6777 6.9751 6.9751 6.9850 6.9850 k = 0.0000 0.0000 0.7824 ( 3768 PWs) bands (ev): -17.0939 -17.0939 -17.0939 -17.0939 -16.0643 -16.0643 -16.0642 -16.0642 -5.2173 -5.2173 -5.2173 -5.2173 -3.4714 -3.4714 -3.4714 -3.4714 -2.7313 -2.7313 -2.7313 -2.7313 -0.8709 -0.8709 -0.8709 -0.8709 -0.7395 -0.7395 -0.7395 -0.7395 -0.0078 -0.0078 -0.0078 -0.0078 5.6395 5.6395 5.6395 5.6395 6.9799 6.9799 6.9799 6.9799 k = 0.0000 0.0000 0.7824 ( 3768 PWs) bands (ev): -17.0939 -17.0939 -17.0939 -17.0939 -16.0643 -16.0643 -16.0642 -16.0642 -5.2173 -5.2173 -5.2173 -5.2173 -3.4714 -3.4714 -3.4714 -3.4714 -2.7313 -2.7313 -2.7313 -2.7313 -0.8709 -0.8709 -0.8709 -0.8709 -0.7395 -0.7395 -0.7395 -0.7395 -0.0078 -0.0078 -0.0078 -0.0078 5.6395 5.6395 5.6395 5.6395 6.9799 6.9799 6.9799 6.9799 k = 0.0132 0.0110 0.7824 ( 3764 PWs) bands (ev): -17.0939 -17.0939 -17.0939 -17.0939 -16.0643 -16.0643 -16.0642 -16.0642 -5.2172 -5.2172 -5.2172 -5.2172 -3.4714 -3.4714 -3.4713 -3.4713 -2.7315 -2.7315 -2.7315 -2.7315 -0.8721 -0.8721 -0.8718 -0.8718 -0.7381 -0.7381 -0.7377 -0.7377 -0.0082 -0.0082 -0.0082 -0.0082 5.6396 5.6396 5.6396 5.6396 6.9798 6.9798 6.9798 6.9798 k = 0.0263 0.0220 0.7824 ( 3758 PWs) bands (ev): -17.0939 -17.0939 -17.0939 -17.0939 -16.0643 -16.0643 -16.0642 -16.0642 -5.2171 -5.2171 -5.2171 -5.2171 -3.4713 -3.4713 -3.4712 -3.4712 -2.7322 -2.7322 -2.7322 -2.7322 -0.8753 -0.8753 -0.8747 -0.8747 -0.7335 -0.7335 -0.7328 -0.7328 -0.0094 -0.0094 -0.0093 -0.0093 5.6398 5.6398 5.6398 5.6398 6.9797 6.9797 6.9797 6.9797 k = 0.0395 0.0330 0.7824 ( 3752 PWs) bands (ev): -17.0939 -17.0939 -17.0939 -17.0939 -16.0643 -16.0643 -16.0642 -16.0642 -5.2169 -5.2169 -5.2169 -5.2169 -3.4711 -3.4711 -3.4711 -3.4711 -2.7334 -2.7334 -2.7333 -2.7333 -0.8800 -0.8800 -0.8792 -0.8792 -0.7264 -0.7264 -0.7253 -0.7253 -0.0113 -0.0113 -0.0112 -0.0112 5.6402 5.6402 5.6402 5.6402 6.9795 6.9795 6.9795 6.9795 k = 0.0526 0.0440 0.7824 ( 3752 PWs) bands (ev): -17.0939 -17.0939 -17.0939 -17.0939 -16.0643 -16.0643 -16.0642 -16.0642 -5.2166 -5.2166 -5.2166 -5.2166 -3.4710 -3.4710 -3.4709 -3.4709 -2.7349 -2.7349 -2.7348 -2.7348 -0.8857 -0.8857 -0.8847 -0.8847 -0.7171 -0.7171 -0.7159 -0.7159 -0.0140 -0.0140 -0.0138 -0.0138 5.6407 5.6407 5.6408 5.6408 6.9792 6.9792 6.9792 6.9792 k = 0.0658 0.0550 0.7824 ( 3748 PWs) bands (ev): -17.0939 -17.0939 -17.0939 -17.0939 -16.0643 -16.0643 -16.0642 -16.0642 -5.2162 -5.2162 -5.2162 -5.2162 -3.4707 -3.4707 -3.4706 -3.4706 -2.7369 -2.7369 -2.7367 -2.7367 -0.8920 -0.8920 -0.8909 -0.8909 -0.7063 -0.7063 -0.7050 -0.7050 -0.0173 -0.0173 -0.0171 -0.0171 5.6414 5.6414 5.6414 5.6414 6.9788 6.9788 6.9788 6.9788 k = 0.0789 0.0660 0.7824 ( 3750 PWs) bands (ev): -17.0939 -17.0939 -17.0939 -17.0939 -16.0643 -16.0643 -16.0643 -16.0643 -5.2158 -5.2158 -5.2158 -5.2158 -3.4704 -3.4704 -3.4703 -3.4703 -2.7391 -2.7391 -2.7389 -2.7389 -0.8985 -0.8985 -0.8974 -0.8974 -0.6944 -0.6944 -0.6930 -0.6930 -0.0213 -0.0213 -0.0210 -0.0210 5.6422 5.6422 5.6422 5.6422 6.9784 6.9784 6.9784 6.9784 k = 0.0921 0.0770 0.7824 ( 3746 PWs) bands (ev): -17.0939 -17.0939 -17.0939 -17.0939 -16.0643 -16.0643 -16.0643 -16.0643 -5.2153 -5.2153 -5.2153 -5.2153 -3.4701 -3.4701 -3.4700 -3.4700 -2.7416 -2.7416 -2.7414 -2.7414 -0.9049 -0.9049 -0.9038 -0.9038 -0.6818 -0.6818 -0.6803 -0.6803 -0.0257 -0.0257 -0.0254 -0.0254 5.6430 5.6430 5.6431 5.6431 6.9779 6.9779 6.9779 6.9779 k = 0.1053 0.0881 0.7824 ( 3736 PWs) bands (ev): -17.0939 -17.0939 -17.0939 -17.0939 -16.0643 -16.0643 -16.0643 -16.0643 -5.2148 -5.2148 -5.2148 -5.2148 -3.4698 -3.4698 -3.4696 -3.4696 -2.7442 -2.7442 -2.7441 -2.7441 -0.9111 -0.9111 -0.9100 -0.9100 -0.6688 -0.6688 -0.6673 -0.6673 -0.0306 -0.0306 -0.0303 -0.0303 5.6440 5.6440 5.6440 5.6440 6.9773 6.9773 6.9774 6.9774 k = 0.1184 0.0991 0.7824 ( 3730 PWs) bands (ev): -17.0939 -17.0939 -17.0939 -17.0939 -16.0643 -16.0643 -16.0643 -16.0643 -5.2142 -5.2142 -5.2142 -5.2142 -3.4694 -3.4694 -3.4693 -3.4693 -2.7470 -2.7470 -2.7468 -2.7468 -0.9170 -0.9170 -0.9159 -0.9159 -0.6557 -0.6557 -0.6543 -0.6543 -0.0359 -0.0359 -0.0355 -0.0355 5.6450 5.6450 5.6450 5.6450 6.9768 6.9768 6.9768 6.9768 k = 0.1316 0.1101 0.7824 ( 3728 PWs) bands (ev): -17.0939 -17.0939 -17.0939 -17.0939 -16.0643 -16.0643 -16.0643 -16.0643 -5.2137 -5.2137 -5.2137 -5.2137 -3.4691 -3.4691 -3.4689 -3.4689 -2.7498 -2.7498 -2.7497 -2.7497 -0.9224 -0.9224 -0.9214 -0.9214 -0.6428 -0.6428 -0.6414 -0.6414 -0.0414 -0.0414 -0.0410 -0.0410 5.6459 5.6459 5.6460 5.6460 6.9762 6.9762 6.9762 6.9762 k = 0.1447 0.1211 0.7824 ( 3732 PWs) bands (ev): -17.0939 -17.0939 -17.0939 -17.0939 -16.0644 -16.0644 -16.0643 -16.0643 -5.2131 -5.2131 -5.2131 -5.2131 -3.4687 -3.4687 -3.4685 -3.4685 -2.7526 -2.7526 -2.7524 -2.7524 -0.9273 -0.9273 -0.9264 -0.9264 -0.6303 -0.6303 -0.6290 -0.6290 -0.0469 -0.0469 -0.0465 -0.0465 5.6469 5.6469 5.6469 5.6469 6.9756 6.9756 6.9757 6.9757 k = 0.1579 0.1321 0.7824 ( 3730 PWs) bands (ev): -17.0939 -17.0939 -17.0938 -17.0938 -16.0644 -16.0644 -16.0643 -16.0643 -5.2126 -5.2126 -5.2126 -5.2126 -3.4683 -3.4683 -3.4682 -3.4682 -2.7552 -2.7552 -2.7551 -2.7551 -0.9317 -0.9317 -0.9309 -0.9309 -0.6185 -0.6185 -0.6173 -0.6173 -0.0524 -0.0524 -0.0520 -0.0520 5.6479 5.6479 5.6479 5.6479 6.9751 6.9751 6.9751 6.9751 k = 0.1711 0.1431 0.7824 ( 3728 PWs) bands (ev): -17.0939 -17.0939 -17.0938 -17.0938 -16.0644 -16.0644 -16.0643 -16.0643 -5.2121 -5.2121 -5.2121 -5.2121 -3.4680 -3.4680 -3.4679 -3.4679 -2.7577 -2.7577 -2.7576 -2.7576 -0.9355 -0.9355 -0.9348 -0.9348 -0.6076 -0.6076 -0.6065 -0.6065 -0.0576 -0.0576 -0.0573 -0.0573 5.6487 5.6487 5.6487 5.6487 6.9745 6.9745 6.9746 6.9746 k = 0.1842 0.1541 0.7824 ( 3732 PWs) bands (ev): -17.0939 -17.0939 -17.0938 -17.0938 -16.0644 -16.0644 -16.0643 -16.0643 -5.2117 -5.2117 -5.2117 -5.2117 -3.4677 -3.4677 -3.4676 -3.4676 -2.7599 -2.7599 -2.7598 -2.7598 -0.9387 -0.9387 -0.9382 -0.9382 -0.5979 -0.5979 -0.5969 -0.5969 -0.0625 -0.0625 -0.0621 -0.0621 5.6495 5.6495 5.6495 5.6495 6.9741 6.9741 6.9741 6.9741 k = 0.1974 0.1651 0.7824 ( 3724 PWs) bands (ev): -17.0939 -17.0939 -17.0938 -17.0938 -16.0644 -16.0644 -16.0643 -16.0643 -5.2113 -5.2113 -5.2113 -5.2113 -3.4674 -3.4674 -3.4673 -3.4673 -2.7618 -2.7618 -2.7617 -2.7617 -0.9414 -0.9414 -0.9409 -0.9409 -0.5895 -0.5895 -0.5887 -0.5887 -0.0667 -0.0667 -0.0664 -0.0664 5.6502 5.6502 5.6502 5.6502 6.9736 6.9736 6.9737 6.9737 k = 0.2105 0.1761 0.7824 ( 3722 PWs) bands (ev): -17.0939 -17.0939 -17.0938 -17.0938 -16.0644 -16.0644 -16.0643 -16.0643 -5.2110 -5.2110 -5.2110 -5.2110 -3.4672 -3.4672 -3.4671 -3.4671 -2.7633 -2.7633 -2.7632 -2.7632 -0.9434 -0.9434 -0.9431 -0.9431 -0.5827 -0.5827 -0.5821 -0.5821 -0.0702 -0.0702 -0.0700 -0.0700 5.6507 5.6507 5.6508 5.6508 6.9733 6.9733 6.9733 6.9733 k = 0.2237 0.1871 0.7824 ( 3724 PWs) bands (ev): -17.0939 -17.0939 -17.0938 -17.0938 -16.0644 -16.0644 -16.0643 -16.0643 -5.2108 -5.2108 -5.2108 -5.2108 -3.4670 -3.4670 -3.4670 -3.4670 -2.7644 -2.7644 -2.7644 -2.7644 -0.9449 -0.9449 -0.9446 -0.9446 -0.5777 -0.5777 -0.5773 -0.5773 -0.0728 -0.0728 -0.0726 -0.0726 5.6511 5.6511 5.6512 5.6512 6.9731 6.9731 6.9731 6.9731 k = 0.2368 0.1981 0.7824 ( 3730 PWs) bands (ev): -17.0939 -17.0939 -17.0938 -17.0938 -16.0644 -16.0644 -16.0644 -16.0644 -5.2107 -5.2107 -5.2107 -5.2107 -3.4669 -3.4669 -3.4669 -3.4669 -2.7651 -2.7651 -2.7651 -2.7651 -0.9457 -0.9457 -0.9456 -0.9456 -0.5746 -0.5746 -0.5744 -0.5744 -0.0744 -0.0744 -0.0743 -0.0743 5.6514 5.6514 5.6514 5.6514 6.9729 6.9729 6.9729 6.9729 k = 0.2500 0.2091 0.7824 ( 3732 PWs) bands (ev): -17.0939 -17.0939 -17.0938 -17.0938 -16.0644 -16.0644 -16.0644 -16.0644 -5.2106 -5.2106 -5.2106 -5.2106 -3.4669 -3.4669 -3.4669 -3.4669 -2.7653 -2.7653 -2.7653 -2.7653 -0.9460 -0.9460 -0.9460 -0.9460 -0.5735 -0.5735 -0.5735 -0.5735 -0.0749 -0.0749 -0.0749 -0.0749 5.6515 5.6515 5.6515 5.6515 6.9729 6.9729 6.9729 6.9729 k = 0.2500 0.2091 0.7824 ( 3732 PWs) bands (ev): -17.0939 -17.0939 -17.0938 -17.0938 -16.0644 -16.0644 -16.0644 -16.0644 -5.2106 -5.2106 -5.2106 -5.2106 -3.4669 -3.4669 -3.4669 -3.4669 -2.7653 -2.7653 -2.7653 -2.7653 -0.9460 -0.9460 -0.9460 -0.9460 -0.5735 -0.5735 -0.5735 -0.5735 -0.0749 -0.0749 -0.0749 -0.0749 5.6515 5.6515 5.6515 5.6515 6.9729 6.9729 6.9729 6.9729 k = 0.2419 0.2188 0.7709 ( 3722 PWs) bands (ev): -17.1170 -17.1170 -17.0706 -17.0706 -16.0669 -16.0669 -16.0618 -16.0618 -5.2422 -5.2422 -5.1791 -5.1791 -3.4732 -3.4732 -3.4584 -3.4584 -2.8124 -2.8124 -2.7180 -2.7180 -0.9576 -0.9576 -0.9369 -0.9369 -0.5848 -0.5848 -0.5634 -0.5634 -0.0933 -0.0933 -0.0564 -0.0564 5.5916 5.5916 5.7115 5.7115 6.9495 6.9495 6.9965 6.9965 k = 0.2339 0.2284 0.7594 ( 3718 PWs) bands (ev): -17.1399 -17.1399 -17.0472 -17.0472 -16.0695 -16.0695 -16.0593 -16.0593 -5.2739 -5.2739 -5.1478 -5.1478 -3.4774 -3.4774 -3.4479 -3.4479 -2.8592 -2.8592 -2.6707 -2.6707 -0.9717 -0.9717 -0.9304 -0.9304 -0.5973 -0.5973 -0.5543 -0.5543 -0.1115 -0.1115 -0.0377 -0.0377 5.5320 5.5320 5.7714 5.7714 6.9266 6.9266 7.0199 7.0199 k = 0.2258 0.2380 0.7479 ( 3722 PWs) bands (ev): -17.1626 -17.1626 -17.0238 -17.0238 -16.0721 -16.0721 -16.0568 -16.0568 -5.3055 -5.3055 -5.1168 -5.1168 -3.4794 -3.4794 -3.4352 -3.4352 -2.9056 -2.9056 -2.6234 -2.6234 -0.9884 -0.9884 -0.9265 -0.9265 -0.6110 -0.6110 -0.5463 -0.5463 -0.1295 -0.1295 -0.0191 -0.0191 5.4727 5.4727 5.8312 5.8312 6.9043 6.9043 7.0430 7.0430 k = 0.2177 0.2477 0.7364 ( 3724 PWs) bands (ev): -17.1850 -17.1850 -17.0004 -17.0004 -16.0747 -16.0747 -16.0543 -16.0543 -5.3370 -5.3370 -5.0861 -5.0861 -3.4794 -3.4794 -3.4204 -3.4204 -2.9513 -2.9513 -2.5763 -2.5763 -1.0077 -1.0077 -0.9252 -0.9252 -0.6258 -0.6258 -0.5391 -0.5391 -0.1473 -0.1473 -0.0004 -0.0004 5.4140 5.4140 5.8907 5.8907 6.8830 6.8830 7.0653 7.0653 k = 0.2097 0.2573 0.7249 ( 3738 PWs) bands (ev): -17.2070 -17.2070 -16.9771 -16.9771 -16.0773 -16.0773 -16.0519 -16.0519 -5.3683 -5.3683 -5.0558 -5.0558 -3.4773 -3.4773 -3.4036 -3.4036 -2.9964 -2.9964 -2.5296 -2.5296 -1.0295 -1.0295 -0.9267 -0.9267 -0.6415 -0.6415 -0.5327 -0.5327 -0.1647 -0.1647 0.0181 0.0181 5.3558 5.3558 5.9496 5.9496 6.8628 6.8628 7.0865 7.0865 k = 0.2016 0.2670 0.7134 ( 3744 PWs) bands (ev): -17.2285 -17.2285 -16.9540 -16.9540 -16.0798 -16.0798 -16.0495 -16.0495 -5.3993 -5.3993 -5.0261 -5.0261 -3.4731 -3.4731 -3.3847 -3.3847 -3.0407 -3.0407 -2.4834 -2.4834 -1.0539 -1.0539 -0.9313 -0.9313 -0.6578 -0.6578 -0.5269 -0.5269 -0.1818 -0.1818 0.0366 0.0366 5.2984 5.2984 6.0081 6.0081 6.8437 6.8437 7.1063 7.1063 k = 0.1935 0.2766 0.7019 ( 3748 PWs) bands (ev): -17.2497 -17.2497 -16.9310 -16.9310 -16.0824 -16.0824 -16.0472 -16.0472 -5.4300 -5.4300 -4.9970 -4.9970 -3.4670 -3.4670 -3.3638 -3.3638 -3.0840 -3.0840 -2.4377 -2.4377 -1.0807 -1.0807 -0.9391 -0.9391 -0.6744 -0.6744 -0.5217 -0.5217 -0.1985 -0.1985 0.0549 0.0549 5.2420 5.2420 6.0658 6.0658 6.8259 6.8259 7.1245 7.1245 k = 0.1855 0.2863 0.6904 ( 3744 PWs) bands (ev): -17.2703 -17.2703 -16.9084 -16.9084 -16.0849 -16.0849 -16.0450 -16.0450 -5.4602 -5.4602 -4.9685 -4.9685 -3.4588 -3.4588 -3.3409 -3.3409 -3.1262 -3.1262 -2.3927 -2.3927 -1.1099 -1.1099 -0.9505 -0.9505 -0.6908 -0.6908 -0.5168 -0.5168 -0.2149 -0.2149 0.0729 0.0729 5.1865 5.1865 6.1226 6.1226 6.8094 6.8094 7.1408 7.1408 k = 0.1774 0.2959 0.6789 ( 3744 PWs) bands (ev): -17.2903 -17.2903 -16.8861 -16.8861 -16.0873 -16.0873 -16.0428 -16.0428 -5.4899 -5.4899 -4.9408 -4.9408 -3.4487 -3.4487 -3.3161 -3.3161 -3.1673 -3.1673 -2.3486 -2.3486 -1.1414 -1.1414 -0.9658 -0.9658 -0.7066 -0.7066 -0.5123 -0.5123 -0.2307 -0.2307 0.0907 0.0907 5.1322 5.1322 6.1784 6.1784 6.7942 6.7942 7.1552 7.1552 k = 0.1694 0.3055 0.6674 ( 3742 PWs) bands (ev): -17.3098 -17.3098 -16.8642 -16.8642 -16.0897 -16.0897 -16.0406 -16.0406 -5.5190 -5.5190 -4.9139 -4.9139 -3.4368 -3.4368 -3.2894 -3.2894 -3.2070 -3.2070 -2.3055 -2.3055 -1.1751 -1.1751 -0.9852 -0.9852 -0.7214 -0.7214 -0.5081 -0.5081 -0.2461 -0.2461 0.1081 0.1081 5.0792 5.0792 6.2330 6.2330 6.7803 6.7803 7.1676 7.1676 k = 0.1613 0.3152 0.6559 ( 3748 PWs) bands (ev): -17.3286 -17.3286 -16.8428 -16.8428 -16.0921 -16.0921 -16.0386 -16.0386 -5.5475 -5.5475 -4.8879 -4.8879 -3.4231 -3.4231 -3.2609 -3.2609 -3.2454 -3.2454 -2.2634 -2.2634 -1.2107 -1.2107 -1.0087 -1.0087 -0.7349 -0.7349 -0.5041 -0.5041 -0.2610 -0.2610 0.1252 0.1252 5.0275 5.0275 6.2864 6.2864 6.7677 6.7677 7.1780 7.1780 k = 0.1532 0.3248 0.6444 ( 3750 PWs) bands (ev): -17.3468 -17.3468 -16.8219 -16.8219 -16.0944 -16.0944 -16.0366 -16.0366 -5.5751 -5.5751 -4.8629 -4.8629 -3.4077 -3.4077 -3.2823 -3.2823 -3.2307 -3.2307 -2.2225 -2.2225 -1.2481 -1.2481 -1.0363 -1.0363 -0.7469 -0.7469 -0.5002 -0.5002 -0.2753 -0.2753 0.1418 0.1418 4.9774 4.9774 6.3383 6.3383 6.7563 6.7563 7.1866 7.1866 k = 0.1452 0.3345 0.6329 ( 3754 PWs) bands (ev): -17.3642 -17.3642 -16.8017 -16.8017 -16.0966 -16.0966 -16.0347 -16.0347 -5.6019 -5.6019 -4.8389 -4.8389 -3.3906 -3.3906 -3.3176 -3.3176 -3.1989 -3.1989 -2.1829 -2.1829 -1.2870 -1.2870 -1.0678 -1.0678 -0.7575 -0.7575 -0.4966 -0.4966 -0.2891 -0.2891 0.1579 0.1579 4.9289 4.9289 6.3885 6.3885 6.7461 6.7461 7.1934 7.1934 k = 0.1371 0.3441 0.6214 ( 3754 PWs) bands (ev): -17.3809 -17.3809 -16.7821 -16.7821 -16.0988 -16.0988 -16.0329 -16.0329 -5.6279 -5.6279 -4.8160 -4.8160 -3.3722 -3.3722 -3.3511 -3.3511 -3.1656 -3.1656 -2.1447 -2.1447 -1.3273 -1.3273 -1.1026 -1.1026 -0.7668 -0.7668 -0.4931 -0.4931 -0.3022 -0.3022 0.1734 0.1734 4.8821 4.8821 6.4371 6.4371 6.7370 6.7370 7.1986 7.1986 k = 0.1290 0.3537 0.6099 ( 3750 PWs) bands (ev): -17.3968 -17.3968 -16.7632 -16.7632 -16.1009 -16.1009 -16.0312 -16.0312 -5.6528 -5.6528 -4.7942 -4.7942 -3.3832 -3.3832 -3.3521 -3.3521 -3.1308 -3.1308 -2.1080 -2.1080 -1.3686 -1.3686 -1.1405 -1.1405 -0.7749 -0.7749 -0.4898 -0.4898 -0.3148 -0.3148 0.1883 0.1883 4.8373 4.8373 6.4838 6.4838 6.7290 6.7290 7.2024 7.2024 k = 0.1210 0.3634 0.5984 ( 3752 PWs) bands (ev): -17.4119 -17.4119 -16.7451 -16.7451 -16.1028 -16.1028 -16.0295 -16.0295 -5.6767 -5.6767 -4.7737 -4.7737 -3.4133 -3.4133 -3.3311 -3.3311 -3.0948 -3.0948 -2.0730 -2.0730 -1.4107 -1.4107 -1.1809 -1.1809 -0.7820 -0.7820 -0.4865 -0.4865 -0.3267 -0.3267 0.2026 0.2026 4.7944 4.7944 6.5285 6.5285 6.7219 6.7219 7.2051 7.2051 k = 0.1129 0.3730 0.5869 ( 3746 PWs) bands (ev): -17.4262 -17.4262 -16.7279 -16.7279 -16.1047 -16.1047 -16.0280 -16.0280 -5.6994 -5.6994 -4.7544 -4.7544 -3.4415 -3.4415 -3.3089 -3.3089 -3.0577 -3.0577 -2.0397 -2.0397 -1.4532 -1.4532 -1.2234 -1.2234 -0.7883 -0.7883 -0.4835 -0.4835 -0.3380 -0.3380 0.2162 0.2162 4.7537 4.7537 6.5710 6.5710 6.7157 6.7157 7.2067 7.2067 k = 0.1048 0.3827 0.5754 ( 3746 PWs) bands (ev): -17.4396 -17.4396 -16.7116 -16.7116 -16.1065 -16.1065 -16.0266 -16.0266 -5.7209 -5.7209 -4.7363 -4.7363 -3.4678 -3.4678 -3.2859 -3.2859 -3.0197 -3.0197 -2.0082 -2.0082 -1.4959 -1.4959 -1.2675 -1.2675 -0.7939 -0.7939 -0.4806 -0.4806 -0.3485 -0.3485 0.2290 0.2290 4.7152 4.7152 6.6112 6.6112 6.7103 6.7103 7.2076 7.2076 k = 0.0968 0.3923 0.5639 ( 3742 PWs) bands (ev): -17.4521 -17.4521 -16.6962 -16.6962 -16.1082 -16.1082 -16.0252 -16.0252 -5.7411 -5.7411 -4.7196 -4.7196 -3.4922 -3.4922 -3.2623 -3.2623 -2.9810 -2.9810 -1.9786 -1.9786 -1.5383 -1.5383 -1.3127 -1.3127 -0.7988 -0.7988 -0.4778 -0.4778 -0.3584 -0.3584 0.2411 0.2411 4.6791 4.6791 6.6489 6.6489 6.7057 6.7057 7.2078 7.2078 k = 0.0887 0.4019 0.5524 ( 3744 PWs) bands (ev): -17.4636 -17.4636 -16.6819 -16.6819 -16.1098 -16.1098 -16.0240 -16.0240 -5.7600 -5.7600 -4.7043 -4.7043 -3.5146 -3.5146 -3.2383 -3.2383 -2.9418 -2.9418 -1.9510 -1.9510 -1.5801 -1.5801 -1.3585 -1.3585 -0.8032 -0.8032 -0.4752 -0.4752 -0.3676 -0.3676 0.2523 0.2523 4.6454 4.6454 6.6835 6.6835 6.7024 6.7024 7.2075 7.2075 k = 0.0806 0.4116 0.5409 ( 3748 PWs) bands (ev): -17.4743 -17.4743 -16.6686 -16.6686 -16.1112 -16.1112 -16.0228 -16.0228 -5.7775 -5.7775 -4.6903 -4.6903 -3.5350 -3.5350 -3.2143 -3.2143 -2.9026 -2.9026 -1.9255 -1.9255 -1.6208 -1.6208 -1.4044 -1.4044 -0.8072 -0.8072 -0.4728 -0.4728 -0.3760 -0.3760 0.2627 0.2627 4.6143 4.6143 6.6968 6.6968 6.7184 6.7184 7.2068 7.2068 k = 0.0726 0.4212 0.5294 ( 3744 PWs) bands (ev): -17.4840 -17.4840 -16.6565 -16.6565 -16.1125 -16.1125 -16.0218 -16.0218 -5.7935 -5.7935 -4.6777 -4.6777 -3.5534 -3.5534 -3.1904 -3.1904 -2.8636 -2.8636 -1.9022 -1.9022 -1.6600 -1.6600 -1.4499 -1.4499 -0.8107 -0.8107 -0.4706 -0.4706 -0.3836 -0.3836 0.2721 0.2721 4.5858 4.5858 6.6944 6.6944 6.7478 6.7478 7.2059 7.2059 k = 0.0645 0.4309 0.5179 ( 3740 PWs) bands (ev): -17.4927 -17.4927 -16.6455 -16.6455 -16.1137 -16.1137 -16.0209 -16.0209 -5.8080 -5.8080 -4.6664 -4.6664 -3.5698 -3.5698 -3.1673 -3.1673 -2.8254 -2.8254 -1.8811 -1.8811 -1.6973 -1.6973 -1.4943 -1.4943 -0.8137 -0.8137 -0.4686 -0.4686 -0.3905 -0.3905 0.2807 0.2807 4.5600 4.5600 6.6920 6.6920 6.7748 6.7748 7.2049 7.2049 k = 0.0565 0.4405 0.5064 ( 3740 PWs) bands (ev): -17.5004 -17.5004 -16.6357 -16.6357 -16.1148 -16.1148 -16.0200 -16.0200 -5.8209 -5.8209 -4.6566 -4.6566 -3.5842 -3.5842 -3.1451 -3.1451 -2.7885 -2.7885 -1.8624 -1.8624 -1.7321 -1.7321 -1.5370 -1.5370 -0.8164 -0.8164 -0.4668 -0.4668 -0.3966 -0.3966 0.2883 0.2883 4.5371 4.5371 6.6900 6.6900 6.7989 6.7989 7.2038 7.2038 k = 0.0484 0.4501 0.4949 ( 3742 PWs) bands (ev): -17.5072 -17.5072 -16.6271 -16.6271 -16.1157 -16.1157 -16.0193 -16.0193 -5.8322 -5.8322 -4.6481 -4.6481 -3.5967 -3.5967 -3.1245 -3.1245 -2.7537 -2.7537 -1.8460 -1.8460 -1.7639 -1.7639 -1.5771 -1.5771 -0.8187 -0.8187 -0.4653 -0.4653 -0.4019 -0.4019 0.2949 0.2949 4.5171 4.5171 6.6883 6.6883 6.8200 6.8200 7.2027 7.2027 k = 0.0403 0.4598 0.4834 ( 3740 PWs) bands (ev): -17.5129 -17.5129 -16.6198 -16.6198 -16.1165 -16.1165 -16.0187 -16.0187 -5.8418 -5.8418 -4.6409 -4.6409 -3.6072 -3.6072 -3.1059 -3.1059 -2.7216 -2.7216 -1.8321 -1.8321 -1.7920 -1.7920 -1.6137 -1.6137 -0.8206 -0.8206 -0.4639 -0.4639 -0.4065 -0.4065 0.3005 0.3005 4.5000 4.5000 6.6869 6.6869 6.8381 6.8381 7.2018 7.2018 k = 0.0323 0.4694 0.4720 ( 3736 PWs) bands (ev): -17.5176 -17.5176 -16.6138 -16.6138 -16.1172 -16.1172 -16.0182 -16.0182 -5.8497 -5.8497 -4.6351 -4.6351 -3.6157 -3.6157 -3.0897 -3.0897 -2.6932 -2.6932 -1.8213 -1.8213 -1.8154 -1.8154 -1.6459 -1.6459 -0.8222 -0.8222 -0.4628 -0.4628 -0.4102 -0.4102 0.3052 0.3052 4.4860 4.4860 6.6858 6.6858 6.8529 6.8529 7.2009 7.2009 k = 0.0242 0.4791 0.4605 ( 3734 PWs) bands (ev): -17.5212 -17.5212 -16.6091 -16.6091 -16.1177 -16.1177 -16.0178 -16.0178 -5.8559 -5.8559 -4.6305 -4.6305 -3.6223 -3.6223 -3.0765 -3.0765 -2.6696 -2.6696 -1.8357 -1.8357 -1.8114 -1.8114 -1.6725 -1.6725 -0.8234 -0.8234 -0.4619 -0.4619 -0.4131 -0.4131 0.3088 0.3088 4.4750 4.4750 6.6850 6.6850 6.8645 6.8645 7.2002 7.2002 k = 0.0161 0.4887 0.4490 ( 3734 PWs) bands (ev): -17.5238 -17.5238 -16.6057 -16.6057 -16.1181 -16.1181 -16.0175 -16.0175 -5.8603 -5.8603 -4.6273 -4.6273 -3.6270 -3.6270 -3.0668 -3.0668 -2.6518 -2.6518 -1.8499 -1.8499 -1.8051 -1.8051 -1.6925 -1.6925 -0.8243 -0.8243 -0.4613 -0.4613 -0.4151 -0.4151 0.3114 0.3114 4.4672 4.4672 6.6844 6.6844 6.8728 6.8728 7.1996 7.1996 k = 0.0081 0.4983 0.4375 ( 3734 PWs) bands (ev): -17.5254 -17.5254 -16.6037 -16.6037 -16.1183 -16.1183 -16.0174 -16.0174 -5.8630 -5.8630 -4.6254 -4.6254 -3.6299 -3.6299 -3.0607 -3.0607 -2.6406 -2.6406 -1.8586 -1.8586 -1.8013 -1.8013 -1.7049 -1.7049 -0.8248 -0.8248 -0.4609 -0.4609 -0.4164 -0.4164 0.3129 0.3129 4.4625 4.4625 6.6841 6.6841 6.8778 6.8778 7.1993 7.1993 k = 0.0000 0.5080 0.4260 ( 3736 PWs) bands (ev): -17.5259 -17.5259 -16.6030 -16.6030 -16.1184 -16.1184 -16.0173 -16.0173 -5.8639 -5.8639 -4.6248 -4.6248 -3.6308 -3.6308 -3.0587 -3.0587 -2.6368 -2.6368 -1.8615 -1.8615 -1.8000 -1.8000 -1.7092 -1.7092 -0.8250 -0.8250 -0.4608 -0.4608 -0.4168 -0.4168 0.3134 0.3134 4.4609 4.4609 6.6840 6.6840 6.8795 6.8795 7.1992 7.1992 k = 0.0000 0.5080 0.4260 ( 3736 PWs) bands (ev): -17.5259 -17.5259 -16.6030 -16.6030 -16.1184 -16.1184 -16.0173 -16.0173 -5.8639 -5.8639 -4.6248 -4.6248 -3.6308 -3.6308 -3.0587 -3.0587 -2.6368 -2.6368 -1.8615 -1.8615 -1.8000 -1.8000 -1.7092 -1.7092 -0.8250 -0.8250 -0.4608 -0.4608 -0.4168 -0.4168 0.3134 0.3134 4.4609 4.4609 6.6840 6.6840 6.8795 6.8795 7.1992 7.1992 k = 0.0150 0.5132 0.4198 ( 3738 PWs) bands (ev): -17.5259 -17.5259 -16.6031 -16.6031 -16.1183 -16.1183 -16.0174 -16.0174 -5.8642 -5.8642 -4.6248 -4.6248 -3.6307 -3.6307 -3.0583 -3.0583 -2.6368 -2.6368 -1.8604 -1.8604 -1.8000 -1.8000 -1.7089 -1.7089 -0.8258 -0.8258 -0.4708 -0.4708 -0.4074 -0.4074 0.3134 0.3134 4.4615 4.4615 6.6840 6.6840 6.8795 6.8795 7.1978 7.1978 k = 0.0300 0.5183 0.4136 ( 3738 PWs) bands (ev): -17.5257 -17.5257 -16.6032 -16.6032 -16.1180 -16.1180 -16.0178 -16.0178 -5.8649 -5.8649 -4.6249 -4.6249 -3.6305 -3.6305 -3.0569 -3.0569 -2.6368 -2.6368 -1.8571 -1.8571 -1.8000 -1.8000 -1.7080 -1.7080 -0.8280 -0.8280 -0.4907 -0.4907 -0.3897 -0.3897 0.3134 0.3134 4.4634 4.4634 6.6842 6.6842 6.8796 6.8796 7.1938 7.1938 k = 0.0450 0.5235 0.4074 ( 3740 PWs) bands (ev): -17.5253 -17.5253 -16.6034 -16.6034 -16.1176 -16.1176 -16.0185 -16.0185 -5.8661 -5.8661 -4.6250 -4.6250 -3.6302 -3.6302 -3.0547 -3.0547 -2.6369 -2.6369 -1.8516 -1.8516 -1.8001 -1.8001 -1.7065 -1.7065 -0.8318 -0.8318 -0.5130 -0.5130 -0.3707 -0.3707 0.3133 0.3133 4.4665 4.4665 6.6845 6.6845 6.8797 6.8797 7.1872 7.1872 k = 0.0599 0.5287 0.4013 ( 3740 PWs) bands (ev): -17.5249 -17.5249 -16.6038 -16.6038 -16.1170 -16.1170 -16.0194 -16.0194 -5.8678 -5.8678 -4.6252 -4.6252 -3.6297 -3.6297 -3.0516 -3.0516 -2.6368 -2.6368 -1.8440 -1.8440 -1.8001 -1.8001 -1.7044 -1.7044 -0.8372 -0.8372 -0.5360 -0.5360 -0.3521 -0.3521 0.3132 0.3132 4.4708 4.4708 6.6850 6.6850 6.8798 6.8798 7.1780 7.1780 k = 0.0749 0.5339 0.3951 ( 3740 PWs) bands (ev): -17.5243 -17.5243 -16.6042 -16.6042 -16.1163 -16.1163 -16.0206 -16.0206 -5.8699 -5.8699 -4.6255 -4.6255 -3.6290 -3.6290 -3.0476 -3.0476 -2.6368 -2.6368 -1.8344 -1.8344 -1.8002 -1.8002 -1.7018 -1.7018 -0.8442 -0.8442 -0.5591 -0.5591 -0.3345 -0.3345 0.3130 0.3130 4.4763 4.4763 6.6856 6.6856 6.8800 6.8800 7.1663 7.1663 k = 0.0899 0.5390 0.3889 ( 3742 PWs) bands (ev): -17.5237 -17.5237 -16.6047 -16.6047 -16.1154 -16.1154 -16.0219 -16.0219 -5.8725 -5.8725 -4.6258 -4.6258 -3.6282 -3.6282 -3.0430 -3.0430 -2.6367 -2.6367 -1.8230 -1.8230 -1.8002 -1.8002 -1.6987 -1.6987 -0.8530 -0.8530 -0.5817 -0.5817 -0.3181 -0.3181 0.3127 0.3127 4.4829 4.4829 6.6864 6.6864 6.8801 6.8801 7.1522 7.1522 k = 0.1049 0.5442 0.3828 ( 3739 PWs) bands (ev): -17.5229 -17.5229 -16.6053 -16.6053 -16.1143 -16.1143 -16.0235 -16.0235 -5.8755 -5.8755 -4.6261 -4.6261 -3.6271 -3.6271 -3.0376 -3.0376 -2.6366 -2.6366 -1.8101 -1.8101 -1.8001 -1.8001 -1.6950 -1.6950 -0.8636 -0.8636 -0.6034 -0.6034 -0.3029 -0.3029 0.3123 0.3123 4.4904 4.4904 6.6874 6.6874 6.8804 6.8804 7.1359 7.1359 k = 0.1199 0.5494 0.3766 ( 3740 PWs) bands (ev): -17.5221 -17.5221 -16.6059 -16.6059 -16.1131 -16.1131 -16.0253 -16.0253 -5.8788 -5.8788 -4.6265 -4.6265 -3.6258 -3.6258 -3.0316 -3.0316 -2.6363 -2.6363 -1.8015 -1.8015 -1.7941 -1.7941 -1.6908 -1.6908 -0.8759 -0.8759 -0.6240 -0.6240 -0.2892 -0.2892 0.3117 0.3117 4.4988 4.4988 6.6886 6.6886 6.8806 6.8806 7.1176 7.1176 k = 0.1349 0.5546 0.3704 ( 3738 PWs) bands (ev): -17.5211 -17.5211 -16.6067 -16.6067 -16.1118 -16.1118 -16.0273 -16.0273 -5.8825 -5.8825 -4.6268 -4.6268 -3.6242 -3.6242 -3.0250 -3.0250 -2.6360 -2.6360 -1.8013 -1.8013 -1.7786 -1.7786 -1.6861 -1.6861 -0.8900 -0.8900 -0.6432 -0.6432 -0.2769 -0.2769 0.3109 0.3109 4.5081 4.5081 6.6900 6.6900 6.8808 6.8808 7.0973 7.0973 k = 0.1499 0.5597 0.3642 ( 3733 PWs) bands (ev): -17.5202 -17.5202 -16.6074 -16.6074 -16.1103 -16.1103 -16.0294 -16.0294 -5.8864 -5.8864 -4.6272 -4.6272 -3.6224 -3.6224 -3.0179 -3.0179 -2.6355 -2.6355 -1.8014 -1.8014 -1.7616 -1.7616 -1.6809 -1.6809 -0.9056 -0.9056 -0.6610 -0.6610 -0.2660 -0.2660 0.3098 0.3098 4.5179 4.5179 6.6916 6.6916 6.8811 6.8811 7.0753 7.0753 k = 0.1648 0.5649 0.3581 ( 3731 PWs) bands (ev): -17.5192 -17.5192 -16.6083 -16.6083 -16.1087 -16.1087 -16.0317 -16.0317 -5.8907 -5.8907 -4.6277 -4.6277 -3.6202 -3.6202 -3.0105 -3.0105 -2.6348 -2.6348 -1.8017 -1.8017 -1.7437 -1.7437 -1.6753 -1.6753 -0.9224 -0.9224 -0.6772 -0.6772 -0.2566 -0.2566 0.3085 0.3085 4.5284 4.5284 6.6936 6.6936 6.8814 6.8814 7.0517 7.0517 k = 0.1798 0.5701 0.3519 ( 3729 PWs) bands (ev): -17.5181 -17.5181 -16.6092 -16.6092 -16.1070 -16.1070 -16.0341 -16.0341 -5.8951 -5.8951 -4.6281 -4.6281 -3.6177 -3.6177 -3.0028 -3.0028 -2.6340 -2.6340 -1.8021 -1.8021 -1.7254 -1.7254 -1.6693 -1.6693 -0.9400 -0.9400 -0.6919 -0.6919 -0.2486 -0.2486 0.3069 0.3069 4.5391 4.5391 6.6958 6.6958 6.8817 6.8817 7.0268 7.0268 k = 0.1948 0.5753 0.3457 ( 3725 PWs) bands (ev): -17.5171 -17.5171 -16.6101 -16.6101 -16.1053 -16.1053 -16.0365 -16.0365 -5.8998 -5.8998 -4.6285 -4.6285 -3.6149 -3.6149 -2.9949 -2.9949 -2.6329 -2.6329 -1.8025 -1.8025 -1.7070 -1.7070 -1.6629 -1.6629 -0.9579 -0.9579 -0.7053 -0.7053 -0.2420 -0.2420 0.3049 0.3049 4.5501 4.5501 6.6983 6.6983 6.8819 6.8819 7.0008 7.0008 k = 0.2098 0.5804 0.3396 ( 3726 PWs) bands (ev): -17.5161 -17.5161 -16.6110 -16.6110 -16.1034 -16.1034 -16.0390 -16.0390 -5.9045 -5.9045 -4.6290 -4.6290 -3.6118 -3.6118 -2.9870 -2.9870 -2.6316 -2.6316 -1.8030 -1.8030 -1.6890 -1.6890 -1.6561 -1.6561 -0.9756 -0.9756 -0.7174 -0.7174 -0.2368 -0.2368 0.3026 0.3026 4.5611 4.5611 6.7011 6.7011 6.8821 6.8821 6.9739 6.9739 k = 0.2248 0.5856 0.3334 ( 3730 PWs) bands (ev): -17.5151 -17.5151 -16.6119 -16.6119 -16.1015 -16.1015 -16.0415 -16.0415 -5.9094 -5.9094 -4.6294 -4.6294 -3.6082 -3.6082 -2.9791 -2.9791 -2.6300 -2.6300 -1.8036 -1.8036 -1.6717 -1.6717 -1.6489 -1.6489 -0.9926 -0.9926 -0.7285 -0.7285 -0.2330 -0.2330 0.3000 0.3000 4.5719 4.5719 6.7043 6.7043 6.8822 6.8822 6.9465 6.9465 k = 0.2398 0.5908 0.3272 ( 3729 PWs) bands (ev): -17.5142 -17.5142 -16.6129 -16.6129 -16.0995 -16.0995 -16.0439 -16.0439 -5.9142 -5.9142 -4.6299 -4.6299 -3.6043 -3.6043 -2.9713 -2.9713 -2.6282 -2.6282 -1.8042 -1.8042 -1.6559 -1.6559 -1.6411 -1.6411 -1.0082 -1.0082 -0.7387 -0.7387 -0.2304 -0.2304 0.2970 0.2970 4.5823 4.5823 6.7076 6.7076 6.8820 6.8820 6.9189 6.9189 k = 0.2548 0.5960 0.3210 ( 3735 PWs) bands (ev): -17.5133 -17.5133 -16.6139 -16.6139 -16.0975 -16.0975 -16.0463 -16.0463 -5.9191 -5.9191 -4.6303 -4.6303 -3.6001 -3.6001 -2.9637 -2.9637 -2.6261 -2.6261 -1.8048 -1.8048 -1.6423 -1.6423 -1.6322 -1.6322 -1.0220 -1.0220 -0.7481 -0.7481 -0.2291 -0.2291 0.2937 0.2937 4.5921 4.5921 6.7112 6.7112 6.8799 6.8799 6.8933 6.8933 k = 0.2697 0.6011 0.3149 ( 3735 PWs) bands (ev): -17.5126 -17.5126 -16.6148 -16.6148 -16.0955 -16.0955 -16.0485 -16.0485 -5.9240 -5.9240 -4.6308 -4.6308 -3.5955 -3.5955 -2.9564 -2.9564 -2.6237 -2.6237 -1.8054 -1.8054 -1.6316 -1.6316 -1.6223 -1.6223 -1.0334 -1.0334 -0.7569 -0.7569 -0.2289 -0.2289 0.2900 0.2900 4.6010 4.6010 6.7148 6.7148 6.8609 6.8609 6.8848 6.8848 k = 0.2847 0.6063 0.3087 ( 3731 PWs) bands (ev): -17.5119 -17.5119 -16.6157 -16.6157 -16.0936 -16.0936 -16.0506 -16.0506 -5.9287 -5.9287 -4.6312 -4.6312 -3.5906 -3.5906 -2.9495 -2.9495 -2.6211 -2.6211 -1.8061 -1.8061 -1.6227 -1.6227 -1.6126 -1.6126 -1.0421 -1.0421 -0.7650 -0.7650 -0.2298 -0.2298 0.2860 0.2860 4.6089 4.6089 6.7180 6.7180 6.8351 6.8351 6.8841 6.8841 k = 0.2997 0.6115 0.3025 ( 3729 PWs) bands (ev): -17.5115 -17.5115 -16.6166 -16.6166 -16.0917 -16.0917 -16.0525 -16.0525 -5.9333 -5.9333 -4.6317 -4.6317 -3.5853 -3.5853 -2.9431 -2.9431 -2.6183 -2.6183 -1.8067 -1.8067 -1.6144 -1.6144 -1.6046 -1.6046 -1.0478 -1.0478 -0.7726 -0.7726 -0.2316 -0.2316 0.2817 0.2817 4.6154 4.6154 6.7203 6.7203 6.8107 6.8107 6.8838 6.8838 k = 0.3147 0.6167 0.2964 ( 3737 PWs) bands (ev): -17.5112 -17.5112 -16.6175 -16.6175 -16.0899 -16.0899 -16.0540 -16.0540 -5.9377 -5.9377 -4.6322 -4.6322 -3.5799 -3.5799 -2.9371 -2.9371 -2.6153 -2.6153 -1.8073 -1.8073 -1.6065 -1.6065 -1.5987 -1.5987 -1.0506 -1.0506 -0.7798 -0.7798 -0.2344 -0.2344 0.2771 0.2771 4.6203 4.6203 6.7199 6.7199 6.7901 6.7901 6.8837 6.8837 k = 0.3297 0.6218 0.2902 ( 3732 PWs) bands (ev): -17.5110 -17.5110 -16.6183 -16.6183 -16.0883 -16.0883 -16.0553 -16.0553 -5.9420 -5.9420 -4.6327 -4.6327 -3.5742 -3.5742 -2.9316 -2.9316 -2.6123 -2.6123 -1.8079 -1.8079 -1.5993 -1.5993 -1.5944 -1.5944 -1.0504 -1.0504 -0.7865 -0.7865 -0.2379 -0.2379 0.2722 0.2722 4.6233 4.6233 6.7140 6.7140 6.7764 6.7764 6.8834 6.8834 k = 0.3297 0.6218 0.2902 ( 3732 PWs) bands (ev): -17.5110 -17.5110 -16.6183 -16.6183 -16.0883 -16.0883 -16.0553 -16.0553 -5.9420 -5.9420 -4.6327 -4.6327 -3.5742 -3.5742 -2.9316 -2.9316 -2.6123 -2.6123 -1.8079 -1.8079 -1.5993 -1.5993 -1.5944 -1.5944 -1.0504 -1.0504 -0.7865 -0.7865 -0.2379 -0.2379 0.2722 0.2722 4.6233 4.6233 6.7140 6.7140 6.7764 6.7764 6.8834 6.8834 k = 0.3371 0.6130 0.2776 ( 3732 PWs) bands (ev): -17.5111 -17.5111 -16.6200 -16.6200 -16.0850 -16.0850 -16.0573 -16.0573 -5.9504 -5.9504 -4.6338 -4.6338 -3.5621 -3.5621 -2.9207 -2.9207 -2.6062 -2.6062 -1.8088 -1.8088 -1.5897 -1.5897 -1.5822 -1.5822 -1.0470 -1.0470 -0.7994 -0.7994 -0.2467 -0.2467 0.2618 0.2618 4.6265 4.6265 6.6948 6.6948 6.7575 6.7575 6.8828 6.8828 k = 0.3445 0.6041 0.2649 ( 3742 PWs) bands (ev): -17.5113 -17.5113 -16.6216 -16.6216 -16.0815 -16.0815 -16.0593 -16.0593 -5.9589 -5.9589 -4.6351 -4.6351 -3.5494 -3.5494 -2.9096 -2.9096 -2.6005 -2.6005 -1.8096 -1.8096 -1.5832 -1.5832 -1.5661 -1.5661 -1.0432 -1.0432 -0.8115 -0.8115 -0.2573 -0.2573 0.2508 0.2508 4.6278 4.6278 6.6763 6.6763 6.7386 6.7386 6.8820 6.8820 k = 0.3519 0.5953 0.2523 ( 3746 PWs) bands (ev): -17.5117 -17.5117 -16.6233 -16.6233 -16.0780 -16.0780 -16.0611 -16.0611 -5.9673 -5.9673 -4.6364 -4.6364 -3.5363 -3.5363 -2.8983 -2.8983 -2.5952 -2.5952 -1.8101 -1.8101 -1.5776 -1.5776 -1.5483 -1.5483 -1.0392 -1.0392 -0.8227 -0.8227 -0.2696 -0.2696 0.2393 0.2393 4.6274 4.6274 6.6586 6.6586 6.7197 6.7197 6.8812 6.8812 k = 0.3593 0.5864 0.2397 ( 3756 PWs) bands (ev): -17.5123 -17.5123 -16.6250 -16.6250 -16.0744 -16.0744 -16.0628 -16.0628 -5.9757 -5.9757 -4.6379 -4.6379 -3.5227 -3.5227 -2.8870 -2.8870 -2.5902 -2.5902 -1.8105 -1.8105 -1.5730 -1.5730 -1.5291 -1.5291 -1.0350 -1.0350 -0.8328 -0.8328 -0.2836 -0.2836 0.2275 0.2275 4.6257 4.6257 6.6416 6.6416 6.7011 6.7011 6.8803 6.8803 k = 0.3667 0.5776 0.2271 ( 3756 PWs) bands (ev): -17.5130 -17.5130 -16.6267 -16.6267 -16.0707 -16.0707 -16.0644 -16.0644 -5.9840 -5.9840 -4.6394 -4.6394 -3.5089 -3.5089 -2.8756 -2.8756 -2.5855 -2.5855 -1.8107 -1.8107 -1.5693 -1.5693 -1.5084 -1.5084 -1.0306 -1.0306 -0.8418 -0.8418 -0.2993 -0.2993 0.2154 0.2154 4.6226 4.6226 6.6253 6.6253 6.6829 6.6829 6.8794 6.8794 k = 0.3741 0.5687 0.2145 ( 3752 PWs) bands (ev): -17.5138 -17.5138 -16.6284 -16.6284 -16.0674 -16.0674 -16.0655 -16.0655 -5.9921 -5.9921 -4.6410 -4.6410 -3.4948 -3.4948 -2.8642 -2.8642 -2.5812 -2.5812 -1.8107 -1.8107 -1.5665 -1.5665 -1.4865 -1.4865 -1.0262 -1.0262 -0.8496 -0.8496 -0.3166 -0.3166 0.2031 0.2031 4.6185 4.6185 6.6098 6.6098 6.6652 6.6652 6.8784 6.8784 k = 0.3815 0.5599 0.2019 ( 3744 PWs) bands (ev): -17.5147 -17.5147 -16.6300 -16.6300 -16.0677 -16.0677 -16.0629 -16.0629 -6.0000 -6.0000 -4.6427 -4.6427 -3.4806 -3.4806 -2.8530 -2.8530 -2.5773 -2.5773 -1.8106 -1.8106 -1.5649 -1.5649 -1.4633 -1.4633 -1.0218 -1.0218 -0.8561 -0.8561 -0.3353 -0.3353 0.1907 0.1907 4.6136 4.6136 6.5950 6.5950 6.6480 6.6480 6.8774 6.8774 k = 0.3889 0.5510 0.1892 ( 3740 PWs) bands (ev): -17.5156 -17.5156 -16.6316 -16.6316 -16.0689 -16.0689 -16.0593 -16.0593 -6.0076 -6.0076 -4.6443 -4.6443 -3.4663 -3.4663 -2.8421 -2.8421 -2.5736 -2.5736 -1.8104 -1.8104 -1.5643 -1.5643 -1.4390 -1.4390 -1.0174 -1.0174 -0.8614 -0.8614 -0.3555 -0.3555 0.1784 0.1784 4.6079 4.6079 6.5809 6.5809 6.6316 6.6316 6.8764 6.8764 k = 0.3963 0.5422 0.1766 ( 3740 PWs) bands (ev): -17.5166 -17.5166 -16.6332 -16.6332 -16.0701 -16.0701 -16.0557 -16.0557 -6.0150 -6.0150 -4.6460 -4.6460 -3.4521 -3.4521 -2.8314 -2.8314 -2.5703 -2.5703 -1.8101 -1.8101 -1.5647 -1.5647 -1.4136 -1.4136 -1.0132 -1.0132 -0.8654 -0.8654 -0.3770 -0.3770 0.1662 0.1662 4.6018 4.6018 6.5676 6.5676 6.6160 6.6160 6.8754 6.8754 k = 0.4037 0.5333 0.1640 ( 3740 PWs) bands (ev): -17.5177 -17.5177 -16.6347 -16.6347 -16.0712 -16.0712 -16.0522 -16.0522 -6.0220 -6.0220 -4.6477 -4.6477 -3.4381 -3.4381 -2.8211 -2.8211 -2.5673 -2.5673 -1.8097 -1.8097 -1.5661 -1.5661 -1.3874 -1.3874 -1.0090 -1.0090 -0.8682 -0.8682 -0.3996 -0.3996 0.1542 0.1542 4.5954 4.5954 6.5550 6.5550 6.6013 6.6013 6.8744 6.8744 k = 0.4111 0.5245 0.1514 ( 3748 PWs) bands (ev): -17.5187 -17.5187 -16.6361 -16.6361 -16.0722 -16.0722 -16.0488 -16.0488 -6.0287 -6.0287 -4.6493 -4.6493 -3.4244 -3.4244 -2.8113 -2.8113 -2.5645 -2.5645 -1.8092 -1.8092 -1.5684 -1.5684 -1.3603 -1.3603 -1.0051 -1.0051 -0.8699 -0.8699 -0.4233 -0.4233 0.1426 0.1426 4.5887 4.5887 6.5433 6.5433 6.5875 6.5875 6.8734 6.8734 k = 0.4185 0.5156 0.1388 ( 3752 PWs) bands (ev): -17.5198 -17.5198 -16.6375 -16.6375 -16.0732 -16.0732 -16.0455 -16.0455 -6.0349 -6.0349 -4.6509 -4.6509 -3.4112 -3.4112 -2.8019 -2.8019 -2.5621 -2.5621 -1.8087 -1.8087 -1.5715 -1.5715 -1.3327 -1.3327 -1.0013 -1.0013 -0.8707 -0.8707 -0.4478 -0.4478 0.1314 0.1314 4.5821 4.5821 6.5323 6.5323 6.5746 6.5746 6.8725 6.8725 k = 0.4260 0.5068 0.1262 ( 3752 PWs) bands (ev): -17.5208 -17.5208 -16.6387 -16.6387 -16.0740 -16.0740 -16.0425 -16.0425 -6.0408 -6.0408 -4.6525 -4.6525 -3.3985 -3.3985 -2.7932 -2.7932 -2.5599 -2.5599 -1.8081 -1.8081 -1.5752 -1.5752 -1.3047 -1.3047 -0.9979 -0.9979 -0.8705 -0.8705 -0.4729 -0.4729 0.1207 0.1207 4.5756 4.5756 6.5222 6.5222 6.5628 6.5628 6.8715 6.8715 k = 0.4334 0.4979 0.1135 ( 3748 PWs) bands (ev): -17.5217 -17.5217 -16.6399 -16.6399 -16.0748 -16.0748 -16.0396 -16.0396 -6.0461 -6.0461 -4.6539 -4.6539 -3.3865 -3.3865 -2.7850 -2.7850 -2.5580 -2.5580 -1.8076 -1.8076 -1.5793 -1.5793 -1.2766 -1.2766 -0.9947 -0.9947 -0.8697 -0.8697 -0.4985 -0.4985 0.1107 0.1107 4.5694 4.5694 6.5129 6.5129 6.5520 6.5520 6.8707 6.8707 k = 0.4408 0.4891 0.1009 ( 3762 PWs) bands (ev): -17.5226 -17.5226 -16.6410 -16.6410 -16.0755 -16.0755 -16.0370 -16.0370 -6.0510 -6.0510 -4.6553 -4.6553 -3.3754 -3.3754 -2.7776 -2.7776 -2.5563 -2.5563 -1.8070 -1.8070 -1.5836 -1.5836 -1.2487 -1.2487 -0.9918 -0.9918 -0.8683 -0.8683 -0.5240 -0.5240 0.1014 0.1014 4.5635 4.5635 6.5045 6.5045 6.5424 6.5424 6.8698 6.8698 k = 0.4482 0.4802 0.0883 ( 3762 PWs) bands (ev): -17.5235 -17.5235 -16.6419 -16.6419 -16.0761 -16.0761 -16.0347 -16.0347 -6.0554 -6.0554 -4.6565 -4.6565 -3.3652 -3.3652 -2.7710 -2.7710 -2.5548 -2.5548 -1.8065 -1.8065 -1.5880 -1.5880 -1.2213 -1.2213 -0.9892 -0.9892 -0.8667 -0.8667 -0.5493 -0.5493 0.0929 0.0929 4.5581 4.5581 6.4970 6.4970 6.5338 6.5338 6.8691 6.8691 k = 0.4556 0.4714 0.0757 ( 3758 PWs) bands (ev): -17.5242 -17.5242 -16.6428 -16.6428 -16.0766 -16.0766 -16.0326 -16.0326 -6.0592 -6.0592 -4.6576 -4.6576 -3.3561 -3.3561 -2.7651 -2.7651 -2.5536 -2.5536 -1.8060 -1.8060 -1.5923 -1.5923 -1.1949 -1.1949 -0.9870 -0.9870 -0.8648 -0.8648 -0.5738 -0.5738 0.0854 0.0854 4.5532 4.5532 6.4904 6.4904 6.5264 6.5264 6.8685 6.8685 k = 0.4630 0.4625 0.0631 ( 3754 PWs) bands (ev): -17.5249 -17.5249 -16.6435 -16.6435 -16.0770 -16.0770 -16.0308 -16.0308 -6.0625 -6.0625 -4.6585 -4.6585 -3.3482 -3.3482 -2.7600 -2.7600 -2.5525 -2.5525 -1.8056 -1.8056 -1.5962 -1.5962 -1.1702 -1.1702 -0.9852 -0.9852 -0.8629 -0.8629 -0.5968 -0.5968 0.0788 0.0788 4.5490 4.5490 6.4849 6.4849 6.5201 6.5201 6.8679 6.8679 k = 0.4704 0.4537 0.0505 ( 3742 PWs) bands (ev): -17.5254 -17.5254 -16.6441 -16.6441 -16.0774 -16.0774 -16.0293 -16.0293 -6.0652 -6.0652 -4.6593 -4.6593 -3.3415 -3.3415 -2.7559 -2.7559 -2.5517 -2.5517 -1.8052 -1.8052 -1.5997 -1.5997 -1.1478 -1.1478 -0.9837 -0.9837 -0.8611 -0.8611 -0.6177 -0.6177 0.0734 0.0734 4.5454 4.5454 6.4803 6.4803 6.5149 6.5149 6.8675 6.8675 k = 0.4778 0.4448 0.0378 ( 3746 PWs) bands (ev): -17.5259 -17.5259 -16.6446 -16.6446 -16.0776 -16.0776 -16.0281 -16.0281 -6.0673 -6.0673 -4.6599 -4.6599 -3.3363 -3.3363 -2.7526 -2.7526 -2.5511 -2.5511 -1.8049 -1.8049 -1.6025 -1.6025 -1.1288 -1.1288 -0.9827 -0.9827 -0.8596 -0.8596 -0.6356 -0.6356 0.0691 0.0691 4.5426 4.5426 6.4767 6.4767 6.5109 6.5109 6.8671 6.8671 k = 0.4852 0.4360 0.0252 ( 3750 PWs) bands (ev): -17.5262 -17.5262 -16.6449 -16.6449 -16.0778 -16.0778 -16.0273 -16.0273 -6.0688 -6.0688 -4.6604 -4.6604 -3.3325 -3.3325 -2.7502 -2.7502 -2.5506 -2.5506 -1.8047 -1.8047 -1.6047 -1.6047 -1.1140 -1.1140 -0.9820 -0.9820 -0.8584 -0.8584 -0.6494 -0.6494 0.0659 0.0659 4.5406 4.5406 6.4741 6.4741 6.5080 6.5080 6.8669 6.8669 k = 0.4926 0.4271 0.0126 ( 3752 PWs) bands (ev): -17.5264 -17.5264 -16.6451 -16.6451 -16.0779 -16.0779 -16.0268 -16.0268 -6.0697 -6.0697 -4.6607 -4.6607 -3.3301 -3.3301 -2.7488 -2.7488 -2.5503 -2.5503 -1.8046 -1.8046 -1.6060 -1.6060 -1.1046 -1.1046 -0.9817 -0.9817 -0.8577 -0.8577 -0.6582 -0.6582 0.0641 0.0641 4.5393 4.5393 6.4725 6.4725 6.5063 6.5063 6.8667 6.8667 k = 0.5000 0.4182 0.0000 ( 3750 PWs) bands (ev): -17.5265 -17.5265 -16.6452 -16.6452 -16.0780 -16.0780 -16.0266 -16.0266 -6.0700 -6.0700 -4.6608 -4.6608 -3.3294 -3.3294 -2.7483 -2.7483 -2.5502 -2.5502 -1.8046 -1.8046 -1.6064 -1.6064 -1.1014 -1.1014 -0.9816 -0.9816 -0.8575 -0.8575 -0.6612 -0.6612 0.0634 0.0634 4.5389 4.5389 6.4720 6.4720 6.5057 6.5057 6.8666 6.8666 k = 0.5000 0.4182 0.0000 ( 3750 PWs) bands (ev): -17.5265 -17.5265 -16.6452 -16.6452 -16.0780 -16.0780 -16.0266 -16.0266 -6.0700 -6.0700 -4.6608 -4.6608 -3.3294 -3.3294 -2.7483 -2.7483 -2.5502 -2.5502 -1.8046 -1.8046 -1.6064 -1.6064 -1.1014 -1.1014 -0.9816 -0.9816 -0.8575 -0.8575 -0.6612 -0.6612 0.0634 0.0634 4.5389 4.5389 6.4720 6.4720 6.5057 6.5057 6.8666 6.8666 k = 0.4868 0.4072 0.0000 ( 3748 PWs) bands (ev): -17.5267 -17.5267 -16.6451 -16.6451 -16.0777 -16.0777 -16.0266 -16.0266 -6.0697 -6.0697 -4.6607 -4.6607 -3.3298 -3.3298 -2.7486 -2.7486 -2.5509 -2.5509 -1.8043 -1.8043 -1.6054 -1.6054 -1.1022 -1.1022 -0.9832 -0.9832 -0.8560 -0.8560 -0.6607 -0.6607 0.0633 0.0633 4.5361 4.5361 6.4734 6.4734 6.5065 6.5065 6.8665 6.8665 k = 0.4737 0.3962 0.0000 ( 3744 PWs) bands (ev): -17.5273 -17.5273 -16.6449 -16.6449 -16.0770 -16.0770 -16.0267 -16.0267 -6.0687 -6.0687 -4.6607 -4.6607 -3.3312 -3.3312 -2.7494 -2.7494 -2.5527 -2.5527 -1.8036 -1.8036 -1.6024 -1.6024 -1.1048 -1.1048 -0.9878 -0.9878 -0.8517 -0.8517 -0.6591 -0.6591 0.0630 0.0630 4.5278 4.5278 6.4777 6.4777 6.5088 6.5088 6.8660 6.8660 k = 0.4605 0.3852 0.0000 ( 3738 PWs) bands (ev): -17.5284 -17.5284 -16.6446 -16.6446 -16.0758 -16.0758 -16.0268 -16.0268 -6.0671 -6.0671 -4.6606 -4.6606 -3.3335 -3.3335 -2.7506 -2.7506 -2.5557 -2.5557 -1.8025 -1.8025 -1.5973 -1.5973 -1.1092 -1.1092 -0.9950 -0.9950 -0.8450 -0.8450 -0.6565 -0.6565 0.0626 0.0626 4.5140 4.5140 6.4847 6.4847 6.5126 6.5126 6.8652 6.8652 k = 0.4474 0.3742 0.0000 ( 3738 PWs) bands (ev): -17.5298 -17.5298 -16.6442 -16.6442 -16.0741 -16.0741 -16.0269 -16.0269 -6.0649 -6.0649 -4.6604 -4.6604 -3.3367 -3.3367 -2.7524 -2.7524 -2.5599 -2.5599 -1.8009 -1.8009 -1.5903 -1.5903 -1.1152 -1.1152 -1.0042 -1.0042 -0.8366 -0.8366 -0.6527 -0.6527 0.0619 0.0619 4.4949 4.4949 6.4943 6.4943 6.5179 6.5179 6.8640 6.8640 k = 0.4342 0.3632 0.0000 ( 3740 PWs) bands (ev): -17.5317 -17.5317 -16.6436 -16.6436 -16.0719 -16.0719 -16.0271 -16.0271 -6.0621 -6.0621 -4.6602 -4.6602 -3.3408 -3.3408 -2.7546 -2.7546 -2.5653 -2.5653 -1.7989 -1.7989 -1.5814 -1.5814 -1.1229 -1.1229 -1.0148 -1.0148 -0.8268 -0.8268 -0.6480 -0.6480 0.0610 0.0610 4.4708 4.4708 6.5061 6.5061 6.5248 6.5248 6.8626 6.8626 k = 0.4211 0.3522 0.0000 ( 3744 PWs) bands (ev): -17.5340 -17.5340 -16.6429 -16.6429 -16.0693 -16.0693 -16.0274 -16.0274 -6.0587 -6.0587 -4.6600 -4.6600 -3.3456 -3.3456 -2.7572 -2.7572 -2.5718 -2.5718 -1.7966 -1.7966 -1.5707 -1.5707 -1.1322 -1.1322 -1.0264 -1.0264 -0.8161 -0.8161 -0.6422 -0.6422 0.0599 0.0599 4.4419 4.4419 6.5191 6.5191 6.5341 6.5341 6.8609 6.8609 k = 0.4079 0.3412 0.0000 ( 3744 PWs) bands (ev): -17.5366 -17.5366 -16.6421 -16.6421 -16.0663 -16.0663 -16.0277 -16.0277 -6.0547 -6.0547 -4.6597 -4.6597 -3.3513 -3.3513 -2.7603 -2.7603 -2.5795 -2.5795 -1.7938 -1.7938 -1.5583 -1.5583 -1.1430 -1.1430 -1.0389 -1.0389 -0.8046 -0.8046 -0.6355 -0.6355 0.0586 0.0586 4.4086 4.4086 6.5308 6.5308 6.5479 6.5479 6.8589 6.8589 k = 0.3947 0.3302 0.0000 ( 3748 PWs) bands (ev): -17.5395 -17.5395 -16.6412 -16.6412 -16.0629 -16.0629 -16.0280 -16.0280 -6.0501 -6.0501 -4.6593 -4.6593 -3.3577 -3.3577 -2.7638 -2.7638 -2.5881 -2.5881 -1.7907 -1.7907 -1.5443 -1.5443 -1.1553 -1.1553 -1.0519 -1.0519 -0.7925 -0.7925 -0.6277 -0.6277 0.0570 0.0570 4.3712 4.3712 6.5404 6.5404 6.5668 6.5668 6.8567 6.8567 k = 0.3816 0.3192 0.0000 ( 3748 PWs) bands (ev): -17.5428 -17.5428 -16.6402 -16.6402 -16.0591 -16.0591 -16.0283 -16.0283 -6.0450 -6.0450 -4.6589 -4.6589 -3.3647 -3.3647 -2.7677 -2.7677 -2.5977 -2.5977 -1.7872 -1.7872 -1.5288 -1.5288 -1.1689 -1.1689 -1.0653 -1.0653 -0.7799 -0.7799 -0.6191 -0.6191 0.0551 0.0551 4.3301 4.3301 6.5489 6.5489 6.5892 6.5892 6.8543 6.8543 k = 0.3684 0.3082 0.0000 ( 3747 PWs) bands (ev): -17.5464 -17.5464 -16.6391 -16.6391 -16.0550 -16.0550 -16.0287 -16.0287 -6.0394 -6.0394 -4.6583 -4.6583 -3.3723 -3.3723 -2.7718 -2.7718 -2.6083 -2.6083 -1.7835 -1.7835 -1.5121 -1.5121 -1.1837 -1.1837 -1.0789 -1.0789 -0.7668 -0.7668 -0.6096 -0.6096 0.0530 0.0530 4.2857 4.2857 6.5570 6.5570 6.6144 6.6144 6.8517 6.8517 k = 0.3553 0.2972 0.0000 ( 3743 PWs) bands (ev): -17.5502 -17.5502 -16.6379 -16.6379 -16.0506 -16.0506 -16.0292 -16.0292 -6.0333 -6.0333 -4.6577 -4.6577 -3.3805 -3.3805 -2.7763 -2.7763 -2.6197 -2.6197 -1.7795 -1.7795 -1.4944 -1.4944 -1.1996 -1.1996 -1.0925 -1.0925 -0.7533 -0.7533 -0.5993 -0.5993 0.0507 0.0507 4.2382 4.2382 6.5645 6.5645 6.6420 6.6420 6.8490 6.8490 k = 0.3421 0.2862 0.0000 ( 3755 PWs) bands (ev): -17.5542 -17.5542 -16.6367 -16.6367 -16.0460 -16.0460 -16.0296 -16.0296 -6.0268 -6.0268 -4.6570 -4.6570 -3.3891 -3.3891 -2.7810 -2.7810 -2.6319 -2.6319 -1.7753 -1.7753 -1.4760 -1.4760 -1.2166 -1.2166 -1.1058 -1.1058 -0.7394 -0.7394 -0.5882 -0.5882 0.0480 0.0480 4.1882 4.1882 6.5714 6.5714 6.6717 6.6717 6.8461 6.8461 k = 0.3289 0.2752 0.0000 ( 3759 PWs) bands (ev): -17.5585 -17.5585 -16.6353 -16.6353 -16.0411 -16.0411 -16.0301 -16.0301 -6.0199 -6.0199 -4.6562 -4.6562 -3.3981 -3.3981 -2.7860 -2.7860 -2.6448 -2.6448 -1.7709 -1.7709 -1.4571 -1.4571 -1.2343 -1.2343 -1.1186 -1.1186 -0.7251 -0.7251 -0.5766 -0.5766 0.0451 0.0451 4.1359 4.1359 6.5776 6.5776 6.7033 6.7033 6.8432 6.8432 k = 0.3158 0.2642 0.0000 ( 3753 PWs) bands (ev): -17.5629 -17.5629 -16.6339 -16.6339 -16.0360 -16.0360 -16.0305 -16.0305 -6.0126 -6.0126 -4.6552 -4.6552 -3.4075 -3.4075 -2.7911 -2.7911 -2.6584 -2.6584 -1.7664 -1.7664 -1.4384 -1.4384 -1.2528 -1.2528 -1.1304 -1.1304 -0.7105 -0.7105 -0.5644 -0.5644 0.0420 0.0420 4.0817 4.0817 6.5830 6.5830 6.7367 6.7367 6.8403 6.8403 k = 0.3026 0.2532 0.0000 ( 3753 PWs) bands (ev): -17.5674 -17.5674 -16.6324 -16.6324 -16.0319 -16.0319 -16.0299 -16.0299 -6.0050 -6.0050 -4.6542 -4.6542 -3.4171 -3.4171 -2.7964 -2.7964 -2.6725 -2.6725 -1.7617 -1.7617 -1.4203 -1.4203 -1.2718 -1.2718 -1.1408 -1.1408 -0.6954 -0.6954 -0.5517 -0.5517 0.0386 0.0386 4.0260 4.0260 6.5874 6.5874 6.7715 6.7715 6.8374 6.8374 k = 0.2895 0.2421 0.0000 ( 3751 PWs) bands (ev): -17.5721 -17.5721 -16.6309 -16.6309 -16.0319 -16.0319 -16.0251 -16.0251 -5.9971 -5.9971 -4.6531 -4.6531 -3.4268 -3.4268 -2.8017 -2.8017 -2.6870 -2.6870 -1.7570 -1.7570 -1.4037 -1.4037 -1.2912 -1.2912 -1.1491 -1.1491 -0.6799 -0.6799 -0.5386 -0.5386 0.0349 0.0349 3.9692 3.9692 6.5909 6.5909 6.8072 6.8072 6.8351 6.8351 k = 0.2763 0.2311 0.0000 ( 3751 PWs) bands (ev): -17.5768 -17.5768 -16.6294 -16.6294 -16.0324 -16.0324 -16.0197 -16.0197 -5.9890 -5.9890 -4.6518 -4.6518 -3.4367 -3.4367 -2.8071 -2.8071 -2.7019 -2.7019 -1.7522 -1.7522 -1.3895 -1.3895 -1.3109 -1.3109 -1.1546 -1.1546 -0.6641 -0.6641 -0.5252 -0.5252 0.0311 0.0311 3.9115 3.9115 6.5934 6.5934 6.8291 6.8291 6.8476 6.8476 k = 0.2632 0.2201 0.0000 ( 3755 PWs) bands (ev): -17.5815 -17.5815 -16.6278 -16.6278 -16.0330 -16.0330 -16.0142 -16.0142 -5.9807 -5.9807 -4.6505 -4.6505 -3.4466 -3.4466 -2.8126 -2.8126 -2.7171 -2.7171 -1.7474 -1.7474 -1.3786 -1.3786 -1.3306 -1.3306 -1.1563 -1.1563 -0.6480 -0.6480 -0.5117 -0.5117 0.0270 0.0270 3.8533 3.8533 6.5948 6.5948 6.8274 6.8274 6.8847 6.8847 k = 0.2500 0.2091 0.0000 ( 3743 PWs) bands (ev): -17.5862 -17.5862 -16.6262 -16.6262 -16.0336 -16.0336 -16.0087 -16.0087 -5.9722 -5.9722 -4.6491 -4.6491 -3.4564 -3.4564 -2.8180 -2.8180 -2.7324 -2.7324 -1.7426 -1.7426 -1.3720 -1.3720 -1.3501 -1.3501 -1.1535 -1.1535 -0.6314 -0.6314 -0.4980 -0.4980 0.0228 0.0228 3.7950 3.7950 6.5953 6.5953 6.8248 6.8248 6.9235 6.9235 k = 0.2368 0.1981 0.0000 ( 3743 PWs) bands (ev): -17.5909 -17.5909 -16.6246 -16.6246 -16.0342 -16.0342 -16.0032 -16.0032 -5.9637 -5.9637 -4.6476 -4.6476 -3.4662 -3.4662 -2.8234 -2.8234 -2.7477 -2.7477 -1.7379 -1.7379 -1.3728 -1.3728 -1.3666 -1.3666 -1.1462 -1.1462 -0.6146 -0.6146 -0.4843 -0.4843 0.0184 0.0184 3.7368 3.7368 6.5948 6.5948 6.8221 6.8221 6.9629 6.9629 k = 0.2237 0.1871 0.0000 ( 3745 PWs) bands (ev): -17.5956 -17.5956 -16.6230 -16.6230 -16.0348 -16.0348 -15.9978 -15.9978 -5.9552 -5.9552 -4.6460 -4.6460 -3.4758 -3.4758 -2.8287 -2.8287 -2.7630 -2.7630 -1.7333 -1.7333 -1.3901 -1.3901 -1.3704 -1.3704 -1.1347 -1.1347 -0.5975 -0.5975 -0.4708 -0.4708 0.0139 0.0139 3.6791 3.6791 6.5935 6.5935 6.8195 6.8195 7.0026 7.0026 k = 0.2105 0.1761 0.0000 ( 3741 PWs) bands (ev): -17.6001 -17.6001 -16.6214 -16.6214 -16.0354 -16.0354 -15.9925 -15.9925 -5.9468 -5.9468 -4.6444 -4.6444 -3.4852 -3.4852 -2.8339 -2.8339 -2.7781 -2.7781 -1.7287 -1.7287 -1.4089 -1.4089 -1.3755 -1.3755 -1.1200 -1.1200 -0.5802 -0.5802 -0.4573 -0.4573 0.0094 0.0094 3.6222 3.6222 6.5913 6.5913 6.8169 6.8169 7.0421 7.0421 k = 0.1974 0.1651 0.0000 ( 3745 PWs) bands (ev): -17.6045 -17.6045 -16.6198 -16.6198 -16.0360 -16.0360 -15.9874 -15.9874 -5.9384 -5.9384 -4.6427 -4.6427 -3.4943 -3.4943 -2.8390 -2.8390 -2.7930 -2.7930 -1.7244 -1.7244 -1.4272 -1.4272 -1.3830 -1.3830 -1.1031 -1.1031 -0.5627 -0.5627 -0.4441 -0.4441 0.0047 0.0047 3.5665 3.5665 6.5884 6.5884 6.8145 6.8145 7.0813 7.0813 k = 0.1842 0.1541 0.0000 ( 3749 PWs) bands (ev): -17.6088 -17.6088 -16.6183 -16.6183 -16.0366 -16.0366 -15.9824 -15.9824 -5.9302 -5.9302 -4.6410 -4.6410 -3.5030 -3.5030 -2.8440 -2.8440 -2.8074 -2.8074 -1.7201 -1.7201 -1.4450 -1.4450 -1.3920 -1.3920 -1.0849 -1.0849 -0.5451 -0.5451 -0.4313 -0.4313 0.0001 0.0001 3.5122 3.5122 6.5849 6.5849 6.8122 6.8122 7.1198 7.1198 k = 0.1711 0.1431 0.0000 ( 3757 PWs) bands (ev): -17.6129 -17.6129 -16.6169 -16.6169 -16.0371 -16.0371 -15.9776 -15.9776 -5.9222 -5.9222 -4.6393 -4.6393 -3.5114 -3.5114 -2.8488 -2.8488 -2.8213 -2.8213 -1.7161 -1.7161 -1.4620 -1.4620 -1.4018 -1.4018 -1.0662 -1.0662 -0.5276 -0.5276 -0.4188 -0.4188 -0.0045 -0.0045 3.4597 3.4597 6.5810 6.5810 6.8100 6.8100 7.1575 7.1575 k = 0.1579 0.1321 0.0000 ( 3753 PWs) bands (ev): -17.6168 -17.6168 -16.6155 -16.6155 -16.0377 -16.0377 -15.9730 -15.9730 -5.9146 -5.9146 -4.6376 -4.6376 -3.5193 -3.5193 -2.8535 -2.8535 -2.8345 -2.8345 -1.7123 -1.7123 -1.4782 -1.4782 -1.4122 -1.4122 -1.0476 -1.0476 -0.5102 -0.5102 -0.4069 -0.4069 -0.0091 -0.0091 3.4094 3.4094 6.5767 6.5767 6.8080 6.8080 7.1938 7.1938 k = 0.1447 0.1211 0.0000 ( 3761 PWs) bands (ev): -17.6205 -17.6205 -16.6141 -16.6141 -16.0382 -16.0382 -15.9687 -15.9687 -5.9072 -5.9072 -4.6359 -4.6359 -3.5267 -3.5267 -2.8584 -2.8584 -2.8465 -2.8465 -1.7087 -1.7087 -1.4934 -1.4934 -1.4225 -1.4225 -1.0294 -1.0294 -0.4931 -0.4931 -0.3955 -0.3955 -0.0135 -0.0135 3.3615 3.3615 6.5721 6.5721 6.8062 6.8062 7.2287 7.2287 k = 0.1316 0.1101 0.0000 ( 3759 PWs) bands (ev): -17.6239 -17.6239 -16.6129 -16.6129 -16.0387 -16.0387 -15.9647 -15.9647 -5.9003 -5.9003 -4.6343 -4.6343 -3.5337 -3.5337 -2.8648 -2.8648 -2.8561 -2.8561 -1.7053 -1.7053 -1.5076 -1.5076 -1.4327 -1.4327 -1.0121 -1.0121 -0.4765 -0.4765 -0.3848 -0.3848 -0.0178 -0.0178 3.3164 3.3164 6.5675 6.5675 6.8045 6.8045 7.2618 7.2618 k = 0.1184 0.0991 0.0000 ( 3763 PWs) bands (ev): -17.6270 -17.6270 -16.6117 -16.6117 -16.0391 -16.0391 -15.9610 -15.9610 -5.8939 -5.8939 -4.6327 -4.6327 -3.5401 -3.5401 -2.8737 -2.8737 -2.8620 -2.8620 -1.7023 -1.7023 -1.5207 -1.5207 -1.4424 -1.4424 -0.9960 -0.9960 -0.4605 -0.4605 -0.3747 -0.3747 -0.0219 -0.0219 3.2744 3.2744 6.5628 6.5628 6.8030 6.8030 7.2927 7.2927 k = 0.1053 0.0881 0.0000 ( 3765 PWs) bands (ev): -17.6299 -17.6299 -16.6107 -16.6107 -16.0396 -16.0396 -15.9577 -15.9577 -5.8879 -5.8879 -4.6313 -4.6313 -3.5458 -3.5458 -2.8832 -2.8832 -2.8660 -2.8660 -1.6995 -1.6995 -1.5326 -1.5326 -1.4514 -1.4514 -0.9812 -0.9812 -0.4455 -0.4455 -0.3655 -0.3655 -0.0257 -0.0257 3.2358 3.2358 6.5583 6.5583 6.8016 6.8016 7.3213 7.3213 k = 0.0921 0.0770 0.0000 ( 3763 PWs) bands (ev): -17.6325 -17.6325 -16.6097 -16.6097 -16.0399 -16.0399 -15.9547 -15.9547 -5.8826 -5.8826 -4.6300 -4.6300 -3.5510 -3.5510 -2.8922 -2.8922 -2.8692 -2.8692 -1.6970 -1.6970 -1.5433 -1.5433 -1.4597 -1.4597 -0.9678 -0.9678 -0.4315 -0.4315 -0.3571 -0.3571 -0.0293 -0.0293 3.2009 3.2009 6.5541 6.5541 6.8004 6.8004 7.3473 7.3473 k = 0.0789 0.0660 0.0000 ( 3759 PWs) bands (ev): -17.6347 -17.6347 -16.6088 -16.6088 -16.0403 -16.0403 -15.9520 -15.9520 -5.8778 -5.8778 -4.6288 -4.6288 -3.5556 -3.5556 -2.9002 -2.9002 -2.8719 -2.8719 -1.6948 -1.6948 -1.5527 -1.5527 -1.4671 -1.4671 -0.9561 -0.9561 -0.4188 -0.4188 -0.3496 -0.3496 -0.0325 -0.0325 3.1700 3.1700 6.5501 6.5501 6.7993 6.7993 7.3703 7.3703 k = 0.0658 0.0550 0.0000 ( 3753 PWs) bands (ev): -17.6367 -17.6367 -16.6081 -16.6081 -16.0406 -16.0406 -15.9497 -15.9497 -5.8737 -5.8737 -4.6277 -4.6277 -3.5594 -3.5594 -2.9072 -2.9072 -2.8741 -2.8741 -1.6929 -1.6929 -1.5607 -1.5607 -1.4735 -1.4735 -0.9461 -0.9461 -0.4077 -0.4077 -0.3431 -0.3431 -0.0353 -0.0353 3.1434 3.1434 6.5467 6.5467 6.7985 6.7985 7.3903 7.3903 k = 0.0526 0.0440 0.0000 ( 3747 PWs) bands (ev): -17.6382 -17.6382 -16.6075 -16.6075 -16.0408 -16.0408 -15.9479 -15.9479 -5.8703 -5.8703 -4.6268 -4.6268 -3.5626 -3.5626 -2.9130 -2.9130 -2.8760 -2.8760 -1.6914 -1.6914 -1.5673 -1.5673 -1.4788 -1.4788 -0.9378 -0.9378 -0.3983 -0.3983 -0.3377 -0.3377 -0.0377 -0.0377 3.1212 3.1212 6.5437 6.5437 6.7978 6.7978 7.4069 7.4069 k = 0.0395 0.0330 0.0000 ( 3747 PWs) bands (ev): -17.6395 -17.6395 -16.6070 -16.6070 -16.0410 -16.0410 -15.9464 -15.9464 -5.8676 -5.8676 -4.6262 -4.6262 -3.5651 -3.5651 -2.9175 -2.9175 -2.8774 -2.8774 -1.6902 -1.6902 -1.5725 -1.5725 -1.4830 -1.4830 -0.9313 -0.9313 -0.3908 -0.3908 -0.3334 -0.3334 -0.0396 -0.0396 3.1038 3.1038 6.5414 6.5414 6.7972 6.7972 7.4200 7.4200 k = 0.0263 0.0220 0.0000 ( 3743 PWs) bands (ev): -17.6404 -17.6404 -16.6067 -16.6067 -16.0411 -16.0411 -15.9453 -15.9453 -5.8657 -5.8657 -4.6256 -4.6256 -3.5669 -3.5669 -2.9208 -2.9208 -2.8784 -2.8784 -1.6893 -1.6893 -1.5762 -1.5762 -1.4861 -1.4861 -0.9266 -0.9266 -0.3853 -0.3853 -0.3303 -0.3303 -0.0410 -0.0410 3.0912 3.0912 6.5396 6.5396 6.7968 6.7968 7.4294 7.4294 k = 0.0132 0.0110 0.0000 ( 3737 PWs) bands (ev): -17.6409 -17.6409 -16.6065 -16.6065 -16.0412 -16.0412 -15.9447 -15.9447 -5.8646 -5.8646 -4.6253 -4.6253 -3.5680 -3.5680 -2.9228 -2.9228 -2.8790 -2.8790 -1.6888 -1.6888 -1.5784 -1.5784 -1.4879 -1.4879 -0.9238 -0.9238 -0.3820 -0.3820 -0.3284 -0.3284 -0.0418 -0.0418 3.0836 3.0836 6.5386 6.5386 6.7966 6.7966 7.4352 7.4352 k = 0.0000 0.0000 0.0000 ( 3739 PWs) bands (ev): -17.6411 -17.6411 -16.6064 -16.6064 -16.0412 -16.0412 -15.9445 -15.9445 -5.8642 -5.8642 -4.6252 -4.6252 -3.5684 -3.5684 -2.9235 -2.9235 -2.8792 -2.8792 -1.6886 -1.6886 -1.5792 -1.5792 -1.4885 -1.4885 -0.9229 -0.9229 -0.3809 -0.3809 -0.3277 -0.3277 -0.0421 -0.0421 3.0811 3.0811 6.5382 6.5382 6.7965 6.7965 7.4371 7.4371 k = 0.0000 0.0000 0.0000 ( 3739 PWs) bands (ev): -17.6411 -17.6411 -16.6064 -16.6064 -16.0412 -16.0412 -15.9445 -15.9445 -5.8642 -5.8642 -4.6252 -4.6252 -3.5684 -3.5684 -2.9235 -2.9235 -2.8792 -2.8792 -1.6886 -1.6886 -1.5792 -1.5792 -1.4885 -1.4885 -0.9229 -0.9229 -0.3809 -0.3809 -0.3277 -0.3277 -0.0421 -0.0421 3.0811 3.0811 6.5382 6.5382 6.7965 6.7965 7.4371 7.4371 k = 0.0080-0.0096 0.0114 ( 3737 PWs) bands (ev): -17.6406 -17.6406 -16.6071 -16.6071 -16.0413 -16.0413 -15.9445 -15.9445 -5.8633 -5.8633 -4.6254 -4.6254 -3.5674 -3.5674 -2.9254 -2.9254 -2.8804 -2.8804 -1.6917 -1.6917 -1.5766 -1.5766 -1.4868 -1.4868 -0.9223 -0.9223 -0.3809 -0.3809 -0.3279 -0.3279 -0.0428 -0.0428 3.0851 3.0851 6.5395 6.5395 6.7952 6.7952 7.4374 7.4374 k = 0.0161-0.0192 0.0229 ( 3739 PWs) bands (ev): -17.6389 -17.6389 -16.6091 -16.6091 -16.0413 -16.0413 -15.9447 -15.9447 -5.8605 -5.8605 -4.6258 -4.6258 -3.5646 -3.5646 -2.9313 -2.9313 -2.8838 -2.8838 -1.7008 -1.7008 -1.5690 -1.5690 -1.4815 -1.4815 -0.9207 -0.9207 -0.3810 -0.3810 -0.3282 -0.3282 -0.0448 -0.0448 3.0970 3.0970 6.5431 6.5431 6.7915 6.7915 7.4383 7.4383 k = 0.0241-0.0288 0.0343 ( 3737 PWs) bands (ev): -17.6362 -17.6362 -16.6124 -16.6124 -16.0414 -16.0414 -15.9449 -15.9449 -5.8560 -5.8560 -4.6266 -4.6266 -3.5599 -3.5599 -2.9408 -2.9408 -2.8892 -2.8892 -1.7158 -1.7158 -1.5566 -1.5566 -1.4728 -1.4728 -0.9179 -0.9179 -0.3813 -0.3813 -0.3289 -0.3289 -0.0481 -0.0481 3.1167 3.1167 6.5493 6.5493 6.7852 6.7852 7.4399 7.4399 k = 0.0321-0.0384 0.0458 ( 3743 PWs) bands (ev): -17.6323 -17.6323 -16.6171 -16.6171 -16.0415 -16.0415 -15.9452 -15.9452 -5.8497 -5.8497 -4.6277 -4.6277 -3.5533 -3.5533 -2.9537 -2.9537 -2.8968 -2.8968 -1.7366 -1.7366 -1.5396 -1.5396 -1.4609 -1.4609 -0.9140 -0.9140 -0.3816 -0.3816 -0.3297 -0.3297 -0.0527 -0.0527 3.1440 3.1440 6.5579 6.5579 6.7764 6.7764 7.4421 7.4421 k = 0.0401-0.0480 0.0572 ( 3749 PWs) bands (ev): -17.6274 -17.6274 -16.6230 -16.6230 -16.0416 -16.0416 -15.9456 -15.9456 -5.8416 -5.8416 -4.6292 -4.6292 -3.5448 -3.5448 -2.9697 -2.9697 -2.9061 -2.9061 -1.7628 -1.7628 -1.5186 -1.5186 -1.4460 -1.4460 -0.9090 -0.9090 -0.3820 -0.3820 -0.3308 -0.3308 -0.0587 -0.0587 3.1786 3.1786 6.5690 6.5690 6.7652 6.7652 7.4448 7.4448 k = 0.0482-0.0576 0.0687 ( 3753 PWs) bands (ev): -17.6214 -17.6214 -16.6302 -16.6302 -16.0417 -16.0417 -15.9461 -15.9461 -5.8318 -5.8318 -4.6310 -4.6310 -3.5345 -3.5345 -2.9883 -2.9883 -2.9170 -2.9170 -1.7942 -1.7942 -1.4940 -1.4940 -1.4282 -1.4282 -0.9030 -0.9030 -0.3825 -0.3825 -0.3321 -0.3321 -0.0659 -0.0659 3.2204 3.2204 6.5825 6.5825 6.7516 6.7516 7.4480 7.4480 k = 0.0562-0.0672 0.0801 ( 3753 PWs) bands (ev): -17.6143 -17.6143 -16.6387 -16.6387 -16.0419 -16.0419 -15.9467 -15.9467 -5.8203 -5.8203 -4.6333 -4.6333 -3.5223 -3.5223 -3.0092 -3.0092 -2.9292 -2.9292 -1.8304 -1.8304 -1.4662 -1.4662 -1.4078 -1.4078 -0.8959 -0.8959 -0.3831 -0.3831 -0.3336 -0.3336 -0.0743 -0.0743 3.2688 3.2688 6.5985 6.5985 6.7355 6.7355 7.4516 7.4516 k = 0.0642-0.0768 0.0916 ( 3739 PWs) bands (ev): -17.6061 -17.6061 -16.6484 -16.6484 -16.0421 -16.0421 -15.9473 -15.9473 -5.8071 -5.8071 -4.6361 -4.6361 -3.5084 -3.5084 -3.0317 -3.0317 -2.9426 -2.9426 -1.8709 -1.8709 -1.4359 -1.4359 -1.3852 -1.3852 -0.8877 -0.8877 -0.3838 -0.3838 -0.3353 -0.3353 -0.0839 -0.0839 3.3236 3.3236 6.6170 6.6170 6.7171 6.7171 7.4556 7.4556 k = 0.0723-0.0864 0.1030 ( 3739 PWs) bands (ev): -17.5970 -17.5970 -16.6592 -16.6592 -16.0424 -16.0424 -15.9481 -15.9481 -5.7924 -5.7924 -4.6394 -4.6394 -3.4927 -3.4927 -3.0556 -3.0556 -2.9569 -2.9569 -1.9154 -1.9154 -1.4036 -1.4036 -1.3606 -1.3606 -0.8785 -0.8785 -0.3846 -0.3846 -0.3371 -0.3371 -0.0946 -0.0946 3.3842 3.3842 6.6378 6.6378 6.6964 6.6964 7.4599 7.4599 k = 0.0803-0.0960 0.1145 ( 3739 PWs) bands (ev): -17.5867 -17.5867 -16.6712 -16.6712 -16.0426 -16.0426 -15.9489 -15.9489 -5.7761 -5.7761 -4.6433 -4.6433 -3.4752 -3.4752 -3.0805 -3.0805 -2.9717 -2.9717 -1.9633 -1.9633 -1.3698 -1.3698 -1.3343 -1.3343 -0.8682 -0.8682 -0.3855 -0.3855 -0.3391 -0.3391 -0.1065 -0.1065 3.4503 3.4503 6.6599 6.6599 6.6746 6.6746 7.4642 7.4642 k = 0.0883-0.1056 0.1259 ( 3739 PWs) bands (ev): -17.5755 -17.5755 -16.6843 -16.6843 -16.0429 -16.0429 -15.9498 -15.9498 -5.7583 -5.7583 -4.6479 -4.6479 -3.4560 -3.4560 -3.1059 -3.1059 -2.9869 -2.9869 -2.0143 -2.0143 -1.3350 -1.3350 -1.3065 -1.3065 -0.8569 -0.8569 -0.3865 -0.3865 -0.3412 -0.3412 -0.1193 -0.1193 3.5215 3.5215 6.6467 6.6467 6.6883 6.6883 7.4684 7.4684 k = 0.0963-0.1152 0.1374 ( 3739 PWs) bands (ev): -17.5633 -17.5633 -16.6985 -16.6985 -16.0433 -16.0433 -15.9509 -15.9509 -5.7392 -5.7392 -4.6533 -4.6533 -3.4352 -3.4352 -3.1315 -3.1315 -3.0023 -3.0023 -2.0679 -2.0679 -1.2998 -1.2998 -1.2775 -1.2775 -0.8447 -0.8447 -0.3877 -0.3877 -0.3433 -0.3433 -0.1332 -0.1332 3.5973 3.5973 6.6193 6.6193 6.7165 6.7165 7.4723 7.4723 k = 0.1044-0.1248 0.1488 ( 3733 PWs) bands (ev): -17.5501 -17.5501 -16.7137 -16.7137 -16.0436 -16.0436 -15.9519 -15.9519 -5.7186 -5.7186 -4.6596 -4.6596 -3.4127 -3.4127 -3.1570 -3.1570 -3.0176 -3.0176 -2.1235 -2.1235 -1.2648 -1.2648 -1.2473 -1.2473 -0.8315 -0.8315 -0.3889 -0.3889 -0.3456 -0.3456 -0.1479 -0.1479 3.6773 3.6773 6.5895 6.5895 6.7474 6.7474 7.4756 7.4756 k = 0.1124-0.1344 0.1603 ( 3733 PWs) bands (ev): -17.5360 -17.5360 -16.7298 -16.7298 -16.0440 -16.0440 -15.9531 -15.9531 -5.6968 -5.6968 -4.6668 -4.6668 -3.3886 -3.3886 -3.1823 -3.1823 -3.0327 -3.0327 -2.1808 -2.1808 -1.2305 -1.2305 -1.2160 -1.2160 -0.8173 -0.8173 -0.3903 -0.3903 -0.3478 -0.3478 -0.1635 -0.1635 3.7611 3.7611 6.5574 6.5574 6.7809 6.7809 7.4780 7.4780 k = 0.1204-0.1440 0.1717 ( 3737 PWs) bands (ev): -17.5209 -17.5209 -16.7468 -16.7468 -16.0445 -16.0445 -15.9543 -15.9543 -5.6738 -5.6738 -4.6751 -4.6751 -3.3630 -3.3630 -3.2069 -3.2069 -3.0473 -3.0473 -2.2394 -2.2394 -1.1973 -1.1973 -1.1838 -1.1838 -0.8023 -0.8023 -0.3919 -0.3919 -0.3501 -0.3501 -0.1799 -0.1799 3.8483 3.8483 6.5233 6.5233 6.8168 6.8168 7.4791 7.4791 k = 0.1285-0.1536 0.1831 ( 3735 PWs) bands (ev): -17.5050 -17.5050 -16.7647 -16.7647 -16.0449 -16.0449 -15.9556 -15.9556 -5.6497 -5.6497 -4.6845 -4.6845 -3.3360 -3.3360 -3.2308 -3.2308 -3.0613 -3.0613 -2.2987 -2.2987 -1.1654 -1.1654 -1.1513 -1.1513 -0.7863 -0.7863 -0.3936 -0.3936 -0.3524 -0.3524 -0.1971 -0.1971 3.9385 3.9385 6.4871 6.4871 6.8552 6.8552 7.4784 7.4784 k = 0.1365-0.1632 0.1946 ( 3731 PWs) bands (ev): -17.4882 -17.4882 -16.7834 -16.7834 -16.0454 -16.0454 -15.9570 -15.9570 -5.6246 -5.6246 -4.6953 -4.6953 -3.3075 -3.3075 -3.2537 -3.2537 -3.0745 -3.0745 -2.3584 -2.3584 -1.1345 -1.1345 -1.1192 -1.1192 -0.7695 -0.7695 -0.3955 -0.3955 -0.3547 -0.3547 -0.2149 -0.2149 4.0313 4.0313 6.4489 6.4489 6.8961 6.8961 7.4753 7.4753 k = 0.1445-0.1728 0.2060 ( 3727 PWs) bands (ev): -17.4705 -17.4705 -16.8028 -16.8028 -16.0459 -16.0459 -15.9585 -15.9585 -5.5985 -5.5985 -4.7075 -4.7075 -3.2781 -3.2781 -3.2750 -3.2750 -3.0869 -3.0869 -2.4181 -2.4181 -1.1045 -1.1045 -1.0882 -1.0882 -0.7519 -0.7519 -0.3975 -0.3975 -0.3571 -0.3571 -0.2332 -0.2332 4.1264 4.1264 6.4089 6.4089 6.9394 6.9394 7.4692 7.4692 k = 0.1525-0.1824 0.2175 ( 3729 PWs) bands (ev): -17.4520 -17.4520 -16.8228 -16.8228 -16.0465 -16.0465 -15.9600 -15.9600 -5.5715 -5.5715 -4.7212 -4.7212 -3.2960 -3.2960 -3.2464 -3.2464 -3.0982 -3.0982 -2.4774 -2.4774 -1.0753 -1.0753 -1.0586 -1.0586 -0.7335 -0.7335 -0.3998 -0.3998 -0.3595 -0.3595 -0.2521 -0.2521 4.2234 4.2234 6.3670 6.3670 6.9851 6.9851 7.4597 7.4597 k = 0.1606-0.1920 0.2289 ( 3733 PWs) bands (ev): -17.4328 -17.4328 -16.8435 -16.8435 -16.0471 -16.0471 -15.9616 -15.9616 -5.5438 -5.5438 -4.7366 -4.7366 -3.3151 -3.3151 -3.2140 -3.2140 -3.1085 -3.1085 -2.5359 -2.5359 -1.0472 -1.0472 -1.0307 -1.0307 -0.7143 -0.7143 -0.4023 -0.4023 -0.3619 -0.3619 -0.2714 -0.2714 4.3220 4.3220 6.3234 6.3234 7.0331 7.0331 7.4461 7.4461 k = 0.1686-0.2016 0.2404 ( 3733 PWs) bands (ev): -17.4129 -17.4129 -16.8647 -16.8647 -16.0477 -16.0477 -15.9633 -15.9633 -5.5154 -5.5154 -4.7538 -4.7538 -3.3327 -3.3327 -3.1805 -3.1805 -3.1175 -3.1175 -2.5933 -2.5933 -1.0204 -1.0204 -1.0045 -1.0045 -0.6944 -0.6944 -0.4050 -0.4050 -0.3646 -0.3646 -0.2911 -0.2911 4.4220 4.4220 6.2781 6.2781 7.0835 7.0835 7.4282 7.4282 k = 0.1766-0.2112 0.2518 ( 3723 PWs) bands (ev): -17.3922 -17.3922 -16.8863 -16.8863 -16.0484 -16.0484 -15.9650 -15.9650 -5.4864 -5.4864 -4.7729 -4.7729 -3.3487 -3.3487 -3.1460 -3.1460 -3.1251 -3.1251 -2.6493 -2.6493 -0.9953 -0.9953 -0.9800 -0.9800 -0.6738 -0.6738 -0.4081 -0.4081 -0.3674 -0.3674 -0.3112 -0.3112 4.5229 4.5229 6.2312 6.2312 7.1360 7.1360 7.4056 7.4056 k = 0.1847-0.2208 0.2633 ( 3729 PWs) bands (ev): -17.3709 -17.3709 -16.9084 -16.9084 -16.0491 -16.0491 -15.9668 -15.9668 -5.4569 -5.4569 -4.7939 -4.7939 -3.3629 -3.3629 -3.1317 -3.1317 -3.1100 -3.1100 -2.7036 -2.7036 -0.9725 -0.9725 -0.9567 -0.9567 -0.6526 -0.6526 -0.4115 -0.4115 -0.3707 -0.3707 -0.3314 -0.3314 4.6245 4.6245 6.1828 6.1828 7.1908 7.1908 7.3787 7.3787 k = 0.1927-0.2304 0.2747 ( 3733 PWs) bands (ev): -17.3490 -17.3490 -16.9308 -16.9308 -16.0498 -16.0498 -15.9686 -15.9686 -5.4269 -5.4269 -4.8171 -4.8171 -3.3755 -3.3755 -3.1366 -3.1366 -3.0735 -3.0735 -2.7560 -2.7560 -0.9525 -0.9525 -0.9343 -0.9343 -0.6308 -0.6308 -0.4153 -0.4153 -0.3744 -0.3744 -0.3518 -0.3518 4.7264 4.7264 6.1330 6.1330 7.2475 7.2475 7.3477 7.3477 k = 0.2007-0.2400 0.2862 ( 3731 PWs) bands (ev): -17.3266 -17.3266 -16.9536 -16.9536 -16.0506 -16.0506 -15.9704 -15.9704 -5.3966 -5.3966 -4.8425 -4.8425 -3.3862 -3.3862 -3.1400 -3.1400 -3.0360 -3.0360 -2.8061 -2.8061 -0.9356 -0.9356 -0.9127 -0.9127 -0.6084 -0.6084 -0.4195 -0.4195 -0.3792 -0.3792 -0.3720 -0.3720 4.8285 4.8285 6.0820 6.0820 7.3027 7.3027 7.3166 7.3166 k = 0.2088-0.2496 0.2976 ( 3731 PWs) bands (ev): -17.3036 -17.3036 -16.9765 -16.9765 -16.0513 -16.0513 -15.9724 -15.9724 -5.3661 -5.3661 -4.8700 -4.8700 -3.3950 -3.3950 -3.1419 -3.1419 -2.9977 -2.9977 -2.8538 -2.8538 -0.9215 -0.9215 -0.8920 -0.8920 -0.5856 -0.5856 -0.4243 -0.4243 -0.3937 -0.3937 -0.3833 -0.3833 4.9304 4.9304 6.0298 6.0298 7.2744 7.2744 7.3680 7.3680 k = 0.2168-0.2592 0.3091 ( 3723 PWs) bands (ev): -17.2801 -17.2801 -16.9996 -16.9996 -16.0522 -16.0522 -15.9743 -15.9743 -5.3354 -5.3354 -4.8998 -4.8998 -3.4018 -3.4018 -3.1422 -3.1422 -2.9588 -2.9588 -2.8989 -2.8989 -0.9101 -0.9101 -0.8724 -0.8724 -0.5623 -0.5623 -0.4299 -0.4299 -0.4139 -0.4139 -0.3896 -0.3896 5.0319 5.0319 5.9766 5.9766 7.2348 7.2348 7.4304 7.4304 k = 0.2248-0.2687 0.3205 ( 3719 PWs) bands (ev): -17.2563 -17.2563 -17.0228 -17.0228 -16.0530 -16.0530 -15.9763 -15.9763 -5.3047 -5.3047 -4.9317 -4.9317 -3.4067 -3.4067 -3.1410 -3.1410 -2.9414 -2.9414 -2.9191 -2.9191 -0.9012 -0.9012 -0.8541 -0.8541 -0.5386 -0.5386 -0.4383 -0.4383 -0.4321 -0.4321 -0.3969 -0.3969 5.1327 5.1327 5.9225 5.9225 7.1936 7.1936 7.4945 7.4945 k = 0.2328-0.2783 0.3319 ( 3715 PWs) bands (ev): -17.2321 -17.2321 -17.0460 -17.0460 -16.0539 -16.0539 -15.9783 -15.9783 -5.2739 -5.2739 -4.9658 -4.9658 -3.4096 -3.4096 -3.1381 -3.1381 -2.9812 -2.9812 -2.8790 -2.8790 -0.8946 -0.8946 -0.8372 -0.8372 -0.5147 -0.5147 -0.4566 -0.4566 -0.4411 -0.4411 -0.4056 -0.4056 5.2325 5.2325 5.8675 5.8675 7.1516 7.1516 7.5602 7.5602 k = 0.2409-0.2879 0.3434 ( 3715 PWs) bands (ev): -17.2076 -17.2076 -17.0692 -17.0692 -16.0548 -16.0548 -15.9804 -15.9804 -5.2433 -5.2433 -5.0020 -5.0020 -3.4105 -3.4105 -3.1336 -3.1336 -3.0181 -3.0181 -2.8383 -2.8383 -0.8901 -0.8901 -0.8218 -0.8218 -0.4905 -0.4905 -0.4770 -0.4770 -0.4487 -0.4487 -0.4157 -0.4157 5.3310 5.3310 5.8118 5.8118 7.1094 7.1094 7.6269 7.6269 k = 0.2489-0.2975 0.3548 ( 3731 PWs) bands (ev): -17.1828 -17.1828 -17.0924 -17.0924 -16.0557 -16.0557 -15.9824 -15.9824 -5.2128 -5.2128 -5.0401 -5.0401 -3.4094 -3.4094 -3.1275 -3.1275 -3.0522 -3.0522 -2.7973 -2.7973 -0.8876 -0.8876 -0.8078 -0.8078 -0.4975 -0.4975 -0.4665 -0.4665 -0.4565 -0.4565 -0.4274 -0.4274 5.4280 5.4280 5.7556 5.7556 7.0676 7.0676 7.6940 7.6940 k = 0.2569-0.3071 0.3663 ( 3727 PWs) bands (ev): -17.1578 -17.1578 -17.1154 -17.1154 -16.0566 -16.0566 -15.9845 -15.9845 -5.1825 -5.1825 -5.0799 -5.0799 -3.4062 -3.4062 -3.1198 -3.1198 -3.0836 -3.0836 -2.7559 -2.7559 -0.8870 -0.8870 -0.7953 -0.7953 -0.5179 -0.5179 -0.4665 -0.4665 -0.4444 -0.4444 -0.4374 -0.4374 5.5233 5.5233 5.6989 5.6989 7.0265 7.0265 7.7566 7.7566 k = 0.2650-0.3167 0.3777 ( 3729 PWs) bands (ev): -17.1382 -17.1382 -17.1327 -17.1327 -16.0576 -16.0576 -15.9866 -15.9866 -5.1526 -5.1526 -5.1214 -5.1214 -3.4009 -3.4009 -3.1132 -3.1132 -3.1095 -3.1095 -2.7143 -2.7143 -0.8882 -0.8882 -0.7843 -0.7843 -0.5381 -0.5381 -0.4766 -0.4766 -0.4566 -0.4566 -0.4156 -0.4156 5.6167 5.6167 5.6420 5.6420 6.9866 6.9866 7.7480 7.7481 k = 0.2730-0.3263 0.3892 ( 3729 PWs) bands (ev): -17.1607 -17.1607 -17.1076 -17.1076 -16.0585 -16.0585 -15.9887 -15.9887 -5.1644 -5.1644 -5.1231 -5.1231 -3.3936 -3.3936 -3.1385 -3.1385 -3.0993 -3.0993 -2.6725 -2.6725 -0.8911 -0.8911 -0.7747 -0.7747 -0.5582 -0.5582 -0.4882 -0.4882 -0.4729 -0.4729 -0.3909 -0.3909 5.5849 5.5849 5.7077 5.7077 6.9479 6.9479 7.6696 7.6696 k = 0.2810-0.3359 0.4006 ( 3725 PWs) bands (ev): -17.1830 -17.1830 -17.0824 -17.0824 -16.0595 -16.0595 -15.9908 -15.9908 -5.2085 -5.2085 -5.0940 -5.0940 -3.3843 -3.3843 -3.1621 -3.1621 -3.0868 -3.0868 -2.6306 -2.6306 -0.8957 -0.8957 -0.7667 -0.7667 -0.5781 -0.5781 -0.5021 -0.5021 -0.4896 -0.4896 -0.3661 -0.3661 5.5279 5.5279 5.7964 5.7964 6.9109 6.9109 7.5881 7.5881 k = 0.2890-0.3455 0.4121 ( 3721 PWs) bands (ev): -17.2049 -17.2049 -17.0573 -17.0573 -16.0605 -16.0605 -15.9929 -15.9929 -5.2536 -5.2536 -5.0655 -5.0655 -3.3729 -3.3729 -3.1834 -3.1834 -3.0727 -3.0727 -2.5887 -2.5887 -0.9019 -0.9019 -0.7602 -0.7602 -0.5979 -0.5979 -0.5198 -0.5198 -0.5053 -0.5053 -0.3413 -0.3413 5.4710 5.4710 5.8822 5.8822 6.8755 6.8755 7.5081 7.5081 k = 0.2971-0.3551 0.4235 ( 3725 PWs) bands (ev): -17.2264 -17.2264 -17.0324 -17.0324 -16.0615 -16.0615 -15.9949 -15.9949 -5.2994 -5.2994 -5.0376 -5.0376 -3.3596 -3.3596 -3.2024 -3.2024 -3.0571 -3.0571 -2.5468 -2.5468 -0.9100 -0.9100 -0.7553 -0.7553 -0.6174 -0.6174 -0.5408 -0.5408 -0.5198 -0.5198 -0.3167 -0.3167 5.4144 5.4144 5.9652 5.9652 6.8420 6.8420 7.4305 7.4305 k = 0.3051-0.3647 0.4350 ( 3733 PWs) bands (ev): -17.2474 -17.2474 -17.0076 -17.0076 -16.0625 -16.0625 -15.9970 -15.9970 -5.3457 -5.3457 -5.0104 -5.0104 -3.3443 -3.3443 -3.2195 -3.2195 -3.0401 -3.0401 -2.5050 -2.5050 -0.9199 -0.9199 -0.7520 -0.7520 -0.6368 -0.6368 -0.5638 -0.5638 -0.5342 -0.5342 -0.2922 -0.2922 5.3583 5.3583 6.0451 6.0451 6.8103 6.8103 7.3555 7.3555 k = 0.3131-0.3743 0.4464 ( 3737 PWs) bands (ev): -17.2680 -17.2680 -16.9831 -16.9831 -16.0635 -16.0635 -15.9990 -15.9990 -5.3923 -5.3923 -4.9839 -4.9839 -3.3271 -3.3271 -3.2346 -3.2346 -3.0217 -3.0217 -2.4635 -2.4635 -0.9318 -0.9318 -0.7505 -0.7505 -0.6560 -0.6560 -0.5881 -0.5881 -0.5486 -0.5486 -0.2681 -0.2681 5.3028 5.3028 6.1216 6.1216 6.7805 6.7805 7.2834 7.2834 k = 0.3212-0.3839 0.4579 ( 3736 PWs) bands (ev): -17.2880 -17.2880 -16.9590 -16.9590 -16.0645 -16.0645 -16.0010 -16.0010 -5.4388 -5.4388 -4.9581 -4.9581 -3.3080 -3.3080 -3.2480 -3.2480 -3.0020 -3.0020 -2.4221 -2.4221 -0.9460 -0.9460 -0.7510 -0.7510 -0.6749 -0.6749 -0.6130 -0.6130 -0.5630 -0.5630 -0.2443 -0.2443 5.2481 5.2481 6.1945 6.1945 6.7526 6.7526 7.2141 7.2141 k = 0.3292-0.3935 0.4693 ( 3744 PWs) bands (ev): -17.3074 -17.3074 -16.9352 -16.9352 -16.0655 -16.0655 -16.0030 -16.0030 -5.4851 -5.4851 -4.9333 -4.9333 -3.2871 -3.2871 -3.2598 -3.2598 -2.9810 -2.9810 -2.3812 -2.3812 -0.9627 -0.9627 -0.7538 -0.7538 -0.6937 -0.6937 -0.6380 -0.6380 -0.5772 -0.5772 -0.2209 -0.2209 5.1943 5.1943 6.2638 6.2638 6.7266 6.7266 7.1479 7.1479 k = 0.3372-0.4031 0.4808 ( 3742 PWs) bands (ev): -17.3262 -17.3262 -16.9119 -16.9119 -16.0664 -16.0664 -16.0049 -16.0049 -5.5309 -5.5309 -4.9092 -4.9092 -3.2703 -3.2703 -3.2643 -3.2643 -2.9589 -2.9589 -2.3406 -2.3406 -0.9822 -0.9822 -0.7591 -0.7591 -0.7123 -0.7123 -0.6624 -0.6624 -0.5906 -0.5906 -0.1980 -0.1980 5.1416 5.1416 6.3293 6.3293 6.7024 6.7024 7.0847 7.0847 k = 0.3452-0.4127 0.4922 ( 3738 PWs) bands (ev): -17.3444 -17.3444 -16.8892 -16.8892 -16.0674 -16.0674 -16.0068 -16.0068 -5.5759 -5.5759 -4.8862 -4.8862 -3.2792 -3.2792 -3.2401 -3.2401 -2.9357 -2.9357 -2.3005 -2.3005 -1.0048 -1.0048 -0.7674 -0.7674 -0.7308 -0.7308 -0.6859 -0.6859 -0.6029 -0.6029 -0.1756 -0.1756 5.0902 5.0902 6.3909 6.3909 6.6800 6.6800 7.0247 7.0247 k = 0.3452-0.4127 0.4922 ( 3738 PWs) bands (ev): -17.3444 -17.3444 -16.8892 -16.8892 -16.0674 -16.0674 -16.0068 -16.0068 -5.5759 -5.5759 -4.8862 -4.8862 -3.2792 -3.2792 -3.2401 -3.2401 -2.9357 -2.9357 -2.3005 -2.3005 -1.0048 -1.0048 -0.7674 -0.7674 -0.7308 -0.7308 -0.6859 -0.6859 -0.6029 -0.6029 -0.1756 -0.1756 5.0902 5.0902 6.3909 6.3909 6.6800 6.6800 7.0247 7.0247 k = 0.3520-0.3987 0.4863 ( 3737 PWs) bands (ev): -17.3352 -17.3352 -16.9008 -16.9008 -16.0668 -16.0668 -16.0058 -16.0058 -5.5528 -5.5528 -4.8978 -4.8978 -3.2753 -3.2753 -3.2526 -3.2526 -2.9476 -2.9476 -2.3213 -2.3213 -0.9927 -0.9927 -0.7632 -0.7632 -0.7220 -0.7220 -0.6731 -0.6731 -0.5967 -0.5967 -0.1870 -0.1870 5.1155 5.1155 6.3598 6.3598 6.6920 6.6920 7.0557 7.0557 k = 0.3587-0.3846 0.4804 ( 3746 PWs) bands (ev): -17.3261 -17.3261 -16.9124 -16.9124 -16.0659 -16.0659 -16.0050 -16.0050 -5.5294 -5.5294 -4.9094 -4.9094 -3.2722 -3.2722 -3.2643 -3.2643 -2.9585 -2.9585 -2.3425 -2.3425 -0.9817 -0.9817 -0.7605 -0.7605 -0.7138 -0.7138 -0.6589 -0.6589 -0.5900 -0.5900 -0.1983 -0.1983 5.1392 5.1392 6.3280 6.3280 6.7060 6.7060 7.0881 7.0881 k = 0.3654-0.3706 0.4745 ( 3744 PWs) bands (ev): -17.3171 -17.3171 -16.9240 -16.9240 -16.0647 -16.0647 -16.0043 -16.0043 -5.5059 -5.5059 -4.9208 -4.9208 -3.2754 -3.2754 -3.2698 -3.2698 -2.9683 -2.9683 -2.3642 -2.3642 -0.9716 -0.9716 -0.7591 -0.7591 -0.7056 -0.7056 -0.6441 -0.6441 -0.5832 -0.5832 -0.2095 -0.2095 5.1614 5.1614 6.2956 6.2956 6.7218 6.7218 7.1218 7.1218 k = 0.3722-0.3566 0.4686 ( 3744 PWs) bands (ev): -17.3082 -17.3082 -16.9356 -16.9356 -16.0634 -16.0634 -16.0036 -16.0036 -5.4824 -5.4824 -4.9321 -4.9321 -3.2853 -3.2853 -3.2689 -3.2689 -2.9766 -2.9766 -2.3864 -2.3864 -0.9627 -0.9627 -0.7590 -0.7590 -0.6968 -0.6968 -0.6292 -0.6292 -0.5763 -0.5763 -0.2206 -0.2206 5.1826 5.1826 6.2627 6.2627 6.7395 6.7395 7.1563 7.1563 k = 0.3789-0.3425 0.4627 ( 3740 PWs) bands (ev): -17.2993 -17.2993 -16.9471 -16.9471 -16.0618 -16.0618 -16.0031 -16.0031 -5.4590 -5.4590 -4.9433 -4.9433 -3.2946 -3.2946 -3.2691 -3.2691 -2.9832 -2.9832 -2.4089 -2.4089 -0.9548 -0.9548 -0.7599 -0.7599 -0.6874 -0.6874 -0.6144 -0.6144 -0.5695 -0.5695 -0.2315 -0.2315 5.2028 5.2028 6.2295 6.2295 6.7590 6.7590 7.1914 7.1914 k = 0.3856-0.3285 0.4568 ( 3732 PWs) bands (ev): -17.2905 -17.2905 -16.9586 -16.9586 -16.0600 -16.0600 -16.0026 -16.0026 -5.4357 -5.4357 -4.9543 -4.9543 -3.3030 -3.3030 -3.2706 -3.2706 -2.9879 -2.9879 -2.4318 -2.4318 -0.9478 -0.9478 -0.7619 -0.7619 -0.6775 -0.6775 -0.5998 -0.5998 -0.5630 -0.5630 -0.2421 -0.2421 5.2225 5.2225 6.1959 6.1959 6.7801 6.7801 7.2268 7.2268 k = 0.3923-0.3144 0.4509 ( 3735 PWs) bands (ev): -17.2817 -17.2817 -16.9701 -16.9701 -16.0580 -16.0580 -16.0023 -16.0023 -5.4126 -5.4126 -4.9651 -4.9651 -3.3107 -3.3107 -3.2733 -3.2733 -2.9906 -2.9906 -2.4550 -2.4550 -0.9418 -0.9418 -0.7647 -0.7647 -0.6670 -0.6670 -0.5856 -0.5856 -0.5567 -0.5567 -0.2524 -0.2524 5.2417 5.2417 6.1620 6.1620 6.8029 6.8029 7.2622 7.2622 k = 0.3991-0.3004 0.4450 ( 3732 PWs) bands (ev): -17.2730 -17.2730 -16.9815 -16.9815 -16.0558 -16.0558 -16.0022 -16.0022 -5.3899 -5.3899 -4.9758 -4.9758 -3.3177 -3.3177 -3.2771 -3.2771 -2.9913 -2.9913 -2.4785 -2.4785 -0.9364 -0.9364 -0.7682 -0.7682 -0.6562 -0.6562 -0.5718 -0.5718 -0.5507 -0.5507 -0.2625 -0.2625 5.2609 5.2609 6.1278 6.1278 6.8272 6.8272 7.2970 7.2970 k = 0.4058-0.2863 0.4391 ( 3732 PWs) bands (ev): -17.2643 -17.2643 -16.9928 -16.9928 -16.0535 -16.0535 -16.0021 -16.0021 -5.3677 -5.3677 -4.9862 -4.9862 -3.3239 -3.3239 -3.2819 -3.2819 -2.9899 -2.9899 -2.5022 -2.5022 -0.9316 -0.9316 -0.7726 -0.7726 -0.6452 -0.6452 -0.5590 -0.5590 -0.5447 -0.5447 -0.2723 -0.2723 5.2800 5.2800 6.0935 6.0935 6.8528 6.8528 7.3308 7.3308 k = 0.4125-0.2723 0.4332 ( 3729 PWs) bands (ev): -17.2556 -17.2556 -17.0040 -17.0040 -16.0511 -16.0511 -16.0022 -16.0022 -5.3459 -5.3459 -4.9965 -4.9965 -3.3295 -3.3295 -3.2876 -3.2876 -2.9866 -2.9866 -2.5261 -2.5261 -0.9272 -0.9272 -0.7775 -0.7775 -0.6342 -0.6342 -0.5481 -0.5481 -0.5374 -0.5374 -0.2819 -0.2819 5.2995 5.2995 6.0590 6.0590 6.8798 6.8798 7.3628 7.3628 k = 0.4193-0.2583 0.4273 ( 3730 PWs) bands (ev): -17.2469 -17.2469 -17.0151 -17.0151 -16.0486 -16.0486 -16.0025 -16.0025 -5.3247 -5.3247 -5.0065 -5.0065 -3.3344 -3.3344 -3.2938 -3.2938 -2.9815 -2.9815 -2.5501 -2.5501 -0.9231 -0.9231 -0.7830 -0.7830 -0.6234 -0.6234 -0.5409 -0.5409 -0.5274 -0.5274 -0.2912 -0.2912 5.3194 5.3194 6.0244 6.0244 6.9080 6.9080 7.3923 7.3923 k = 0.4260-0.2442 0.4214 ( 3732 PWs) bands (ev): -17.2382 -17.2382 -17.0261 -17.0261 -16.0460 -16.0460 -16.0029 -16.0029 -5.3042 -5.3042 -5.0165 -5.0165 -3.3388 -3.3388 -3.3003 -3.3003 -2.9747 -2.9747 -2.5741 -2.5741 -0.9191 -0.9191 -0.7890 -0.7890 -0.6128 -0.6128 -0.5363 -0.5363 -0.5156 -0.5156 -0.3002 -0.3002 5.3399 5.3399 5.9898 5.9898 6.9373 6.9373 7.4181 7.4181 k = 0.4327-0.2302 0.4155 ( 3733 PWs) bands (ev): -17.2295 -17.2295 -17.0370 -17.0370 -16.0433 -16.0433 -16.0034 -16.0034 -5.2844 -5.2844 -5.0263 -5.0263 -3.3425 -3.3425 -3.3069 -3.3069 -2.9664 -2.9664 -2.5981 -2.5981 -0.9152 -0.9152 -0.7955 -0.7955 -0.6027 -0.6027 -0.5329 -0.5329 -0.5036 -0.5036 -0.3091 -0.3091 5.3611 5.3611 5.9552 5.9552 6.9676 6.9676 7.4390 7.4390 k = 0.4394-0.2161 0.4095 ( 3733 PWs) bands (ev): -17.2207 -17.2207 -17.0478 -17.0478 -16.0406 -16.0406 -16.0041 -16.0041 -5.2654 -5.2654 -5.0360 -5.0360 -3.3457 -3.3457 -3.3134 -3.3134 -2.9568 -2.9568 -2.6220 -2.6220 -0.9113 -0.9113 -0.8022 -0.8022 -0.5930 -0.5930 -0.5303 -0.5303 -0.4917 -0.4917 -0.3178 -0.3178 5.3831 5.3831 5.9207 5.9207 6.9988 6.9988 7.4536 7.4536 k = 0.4462-0.2021 0.4036 ( 3739 PWs) bands (ev): -17.2120 -17.2120 -17.0585 -17.0585 -16.0379 -16.0379 -16.0050 -16.0050 -5.2471 -5.2471 -5.0457 -5.0457 -3.3484 -3.3484 -3.3197 -3.3197 -2.9458 -2.9458 -2.6457 -2.6457 -0.9073 -0.9073 -0.8092 -0.8092 -0.5840 -0.5840 -0.5283 -0.5283 -0.4800 -0.4800 -0.3264 -0.3264 5.4060 5.4060 5.8862 5.8862 7.0309 7.0309 7.4609 7.4609 k = 0.4529-0.1880 0.3977 ( 3733 PWs) bands (ev): -17.2031 -17.2031 -17.0690 -17.0690 -16.0352 -16.0352 -16.0061 -16.0061 -5.2296 -5.2296 -5.0555 -5.0555 -3.3506 -3.3506 -3.3256 -3.3256 -2.9336 -2.9336 -2.6691 -2.6691 -0.9030 -0.9030 -0.8164 -0.8164 -0.5755 -0.5755 -0.5270 -0.5270 -0.4685 -0.4685 -0.3349 -0.3349 5.4299 5.4299 5.8520 5.8520 7.0636 7.0636 7.4602 7.4602 k = 0.4596-0.1740 0.3918 ( 3733 PWs) bands (ev): -17.1942 -17.1942 -17.0794 -17.0794 -16.0325 -16.0325 -16.0073 -16.0073 -5.2130 -5.2130 -5.0653 -5.0653 -3.3522 -3.3522 -3.3310 -3.3310 -2.9203 -2.9203 -2.6923 -2.6923 -0.8986 -0.8986 -0.8236 -0.8236 -0.5677 -0.5677 -0.5263 -0.5263 -0.4573 -0.4573 -0.3434 -0.3434 5.4547 5.4547 5.8180 5.8180 7.0969 7.0969 7.4519 7.4519 k = 0.4664-0.1600 0.3859 ( 3737 PWs) bands (ev): -17.1853 -17.1853 -17.0897 -17.0897 -16.0298 -16.0298 -16.0086 -16.0086 -5.1972 -5.1972 -5.0752 -5.0752 -3.3534 -3.3534 -3.3359 -3.3359 -2.9060 -2.9060 -2.7150 -2.7150 -0.8938 -0.8938 -0.8309 -0.8309 -0.5605 -0.5605 -0.5262 -0.5262 -0.4465 -0.4465 -0.3519 -0.3519 5.4804 5.4804 5.7843 5.7843 7.1307 7.1307 7.4368 7.4368 k = 0.4731-0.1459 0.3800 ( 3740 PWs) bands (ev): -17.1762 -17.1762 -17.0998 -17.0998 -16.0272 -16.0272 -16.0101 -16.0101 -5.1821 -5.1821 -5.0853 -5.0853 -3.3541 -3.3541 -3.3403 -3.3403 -2.8906 -2.8906 -2.7372 -2.7372 -0.8888 -0.8888 -0.8382 -0.8382 -0.5541 -0.5541 -0.5267 -0.5267 -0.4359 -0.4359 -0.3605 -0.3605 5.5072 5.5072 5.7510 5.7510 7.1649 7.1649 7.4162 7.4162 k = 0.4798-0.1319 0.3741 ( 3740 PWs) bands (ev): -17.1671 -17.1671 -17.1098 -17.1098 -16.0247 -16.0247 -16.0118 -16.0118 -5.1679 -5.1679 -5.0957 -5.0957 -3.3543 -3.3543 -3.3440 -3.3440 -2.8743 -2.8743 -2.7589 -2.7589 -0.8835 -0.8835 -0.8453 -0.8453 -0.5483 -0.5483 -0.5279 -0.5279 -0.4256 -0.4256 -0.3692 -0.3692 5.5349 5.5349 5.7182 5.7182 7.1991 7.1991 7.3912 7.3912 k = 0.4865-0.1178 0.3682 ( 3746 PWs) bands (ev): -17.1578 -17.1578 -17.1196 -17.1196 -16.0223 -16.0223 -16.0136 -16.0136 -5.1543 -5.1543 -5.1065 -5.1065 -3.3539 -3.3539 -3.3472 -3.3472 -2.8571 -2.8571 -2.7800 -2.7800 -0.8778 -0.8778 -0.8523 -0.8523 -0.5433 -0.5433 -0.5297 -0.5297 -0.4156 -0.4156 -0.3781 -0.3781 5.5635 5.5635 5.6859 5.6859 7.2333 7.2333 7.3630 7.3630 k = 0.4933-0.1038 0.3623 ( 3752 PWs) bands (ev): -17.1484 -17.1484 -17.1294 -17.1294 -16.0199 -16.0199 -16.0156 -16.0156 -5.1415 -5.1415 -5.1176 -5.1176 -3.3531 -3.3531 -3.3497 -3.3497 -2.8390 -2.8390 -2.8004 -2.8004 -0.8719 -0.8719 -0.8591 -0.8591 -0.5389 -0.5389 -0.5321 -0.5321 -0.4058 -0.4058 -0.3871 -0.3871 5.5929 5.5929 5.6542 5.6542 7.2672 7.2672 7.3325 7.3325 k = 0.5000-0.0897 0.3564 ( 3758 PWs) bands (ev): -17.1390 -17.1390 -17.1389 -17.1389 -16.0177 -16.0177 -16.0177 -16.0177 -5.1293 -5.1293 -5.1293 -5.1293 -3.3517 -3.3517 -3.3517 -3.3517 -2.8201 -2.8201 -2.8201 -2.8201 -0.8656 -0.8656 -0.8656 -0.8656 -0.5352 -0.5352 -0.5351 -0.5351 -0.3964 -0.3964 -0.3964 -0.3964 5.6232 5.6232 5.6232 5.6232 7.3004 7.3004 7.3004 7.3004 k = 0.5000-0.0897 0.3564 ( 3758 PWs) bands (ev): -17.1390 -17.1390 -17.1389 -17.1389 -16.0177 -16.0177 -16.0177 -16.0177 -5.1293 -5.1293 -5.1293 -5.1293 -3.3517 -3.3517 -3.3517 -3.3517 -2.8201 -2.8201 -2.8201 -2.8201 -0.8656 -0.8656 -0.8656 -0.8656 -0.5352 -0.5352 -0.5351 -0.5351 -0.3964 -0.3964 -0.3964 -0.3964 5.6232 5.6232 5.6232 5.6232 7.3004 7.3004 7.3004 7.3004 k = 0.4926-0.0809 0.3689 ( 3752 PWs) bands (ev): -17.1389 -17.1389 -17.1389 -17.1389 -16.0178 -16.0178 -16.0178 -16.0178 -5.1295 -5.1295 -5.1295 -5.1295 -3.3520 -3.3520 -3.3520 -3.3520 -2.8199 -2.8199 -2.8198 -2.8198 -0.8655 -0.8655 -0.8654 -0.8654 -0.5386 -0.5386 -0.5370 -0.5370 -0.3942 -0.3942 -0.3928 -0.3928 5.6233 5.6233 5.6233 5.6233 7.2995 7.2995 7.2997 7.2997 k = 0.4853-0.0722 0.3815 ( 3748 PWs) bands (ev): -17.1386 -17.1386 -17.1386 -17.1386 -16.0181 -16.0181 -16.0181 -16.0181 -5.1300 -5.1300 -5.1300 -5.1300 -3.3531 -3.3531 -3.3530 -3.3530 -2.8192 -2.8192 -2.8189 -2.8189 -0.8650 -0.8650 -0.8649 -0.8649 -0.5465 -0.5465 -0.5436 -0.5436 -0.3868 -0.3868 -0.3843 -0.3843 5.6235 5.6235 5.6236 5.6236 7.2970 7.2970 7.2975 7.2975 k = 0.4779-0.0634 0.3940 ( 3748 PWs) bands (ev): -17.1382 -17.1382 -17.1381 -17.1381 -16.0186 -16.0186 -16.0185 -16.0185 -5.1309 -5.1309 -5.1309 -5.1309 -3.3548 -3.3548 -3.3547 -3.3547 -2.8179 -2.8179 -2.8175 -2.8175 -0.8642 -0.8642 -0.8641 -0.8641 -0.5575 -0.5575 -0.5536 -0.5536 -0.3755 -0.3755 -0.3722 -0.3722 5.6239 5.6239 5.6240 5.6240 7.2929 7.2929 7.2938 7.2938 k = 0.4706-0.0546 0.4065 ( 3746 PWs) bands (ev): -17.1375 -17.1375 -17.1375 -17.1375 -16.0193 -16.0193 -16.0192 -16.0192 -5.1321 -5.1321 -5.1321 -5.1321 -3.3572 -3.3572 -3.3571 -3.3571 -2.8162 -2.8162 -2.8157 -2.8157 -0.8632 -0.8632 -0.8630 -0.8630 -0.5702 -0.5702 -0.5658 -0.5658 -0.3616 -0.3616 -0.3578 -0.3578 5.6244 5.6244 5.6246 5.6246 7.2874 7.2874 7.2885 7.2885 k = 0.4632-0.0458 0.4191 ( 3750 PWs) bands (ev): -17.1367 -17.1367 -17.1367 -17.1367 -16.0201 -16.0201 -16.0200 -16.0200 -5.1337 -5.1337 -5.1337 -5.1337 -3.3601 -3.3601 -3.3600 -3.3600 -2.8141 -2.8141 -2.8135 -2.8135 -0.8620 -0.8620 -0.8618 -0.8618 -0.5838 -0.5838 -0.5789 -0.5789 -0.3461 -0.3461 -0.3420 -0.3420 5.6252 5.6252 5.6253 5.6253 7.2805 7.2805 7.2818 7.2818 k = 0.4559-0.0370 0.4316 ( 3748 PWs) bands (ev): -17.1357 -17.1357 -17.1357 -17.1357 -16.0211 -16.0211 -16.0210 -16.0210 -5.1356 -5.1356 -5.1355 -5.1355 -3.3636 -3.3636 -3.3634 -3.3634 -2.8116 -2.8116 -2.8109 -2.8109 -0.8606 -0.8606 -0.8604 -0.8604 -0.5975 -0.5975 -0.5923 -0.5923 -0.3297 -0.3297 -0.3255 -0.3255 5.6260 5.6260 5.6262 5.6262 7.2722 7.2722 7.2737 7.2737 k = 0.4485-0.0282 0.4441 ( 3746 PWs) bands (ev): -17.1346 -17.1346 -17.1346 -17.1346 -16.0223 -16.0223 -16.0222 -16.0222 -5.1378 -5.1378 -5.1377 -5.1377 -3.3675 -3.3675 -3.3674 -3.3674 -2.8088 -2.8088 -2.8080 -2.8080 -0.8593 -0.8593 -0.8590 -0.8590 -0.6108 -0.6108 -0.6054 -0.6054 -0.3129 -0.3129 -0.3086 -0.3086 5.6270 5.6270 5.6272 5.6272 7.2626 7.2626 7.2644 7.2644 k = 0.4412-0.0194 0.4566 ( 3746 PWs) bands (ev): -17.1333 -17.1333 -17.1333 -17.1333 -16.0236 -16.0236 -16.0235 -16.0235 -5.1402 -5.1402 -5.1402 -5.1402 -3.3719 -3.3719 -3.3717 -3.3717 -2.8058 -2.8058 -2.8049 -2.8049 -0.8581 -0.8581 -0.8578 -0.8578 -0.6234 -0.6234 -0.6179 -0.6179 -0.2959 -0.2959 -0.2917 -0.2917 5.6280 5.6280 5.6283 5.6283 7.2519 7.2519 7.2538 7.2538 k = 0.4338-0.0106 0.4692 ( 3740 PWs) bands (ev): -17.1319 -17.1319 -17.1318 -17.1318 -16.0251 -16.0251 -16.0250 -16.0250 -5.1430 -5.1430 -5.1429 -5.1429 -3.3766 -3.3766 -3.3764 -3.3764 -2.8027 -2.8027 -2.8017 -2.8017 -0.8573 -0.8573 -0.8569 -0.8569 -0.6348 -0.6348 -0.6292 -0.6292 -0.2791 -0.2791 -0.2749 -0.2749 5.6292 5.6292 5.6295 5.6295 7.2401 7.2401 7.2422 7.2422 k = 0.4265-0.0018 0.4817 ( 3740 PWs) bands (ev): -17.1303 -17.1303 -17.1303 -17.1303 -16.0267 -16.0267 -16.0266 -16.0266 -5.1459 -5.1459 -5.1459 -5.1459 -3.3816 -3.3816 -3.3814 -3.3814 -2.7994 -2.7994 -2.7984 -2.7984 -0.8569 -0.8569 -0.8565 -0.8565 -0.6449 -0.6449 -0.6392 -0.6392 -0.2626 -0.2626 -0.2584 -0.2584 5.6305 5.6305 5.6308 5.6308 7.2274 7.2274 7.2297 7.2297 k = 0.4191 0.0070 0.4942 ( 3736 PWs) bands (ev): -17.1287 -17.1287 -17.1286 -17.1286 -16.0284 -16.0284 -16.0284 -16.0284 -5.1491 -5.1491 -5.1490 -5.1490 -3.3867 -3.3867 -3.3865 -3.3865 -2.7961 -2.7961 -2.7950 -2.7950 -0.8572 -0.8572 -0.8568 -0.8568 -0.6533 -0.6533 -0.6477 -0.6477 -0.2464 -0.2464 -0.2423 -0.2423 5.6318 5.6318 5.6321 5.6321 7.2140 7.2140 7.2164 7.2164 k = 0.4118 0.0157 0.5068 ( 3736 PWs) bands (ev): -17.1269 -17.1269 -17.1268 -17.1268 -16.0303 -16.0303 -16.0302 -16.0302 -5.1524 -5.1524 -5.1524 -5.1524 -3.3920 -3.3920 -3.3919 -3.3919 -2.7929 -2.7929 -2.7918 -2.7918 -0.8582 -0.8582 -0.8580 -0.8580 -0.6598 -0.6598 -0.6543 -0.6543 -0.2308 -0.2308 -0.2268 -0.2268 5.6332 5.6332 5.6335 5.6335 7.1999 7.1999 7.2024 7.2024 k = 0.4044 0.0245 0.5193 ( 3736 PWs) bands (ev): -17.1250 -17.1250 -17.1250 -17.1250 -16.0322 -16.0322 -16.0321 -16.0321 -5.1559 -5.1559 -5.1558 -5.1558 -3.3974 -3.3974 -3.3973 -3.3973 -2.7897 -2.7897 -2.7886 -2.7886 -0.8602 -0.8602 -0.8600 -0.8600 -0.6643 -0.6643 -0.6589 -0.6589 -0.2158 -0.2158 -0.2119 -0.2119 5.6345 5.6345 5.6349 5.6349 7.1853 7.1853 7.1878 7.1878 k = 0.3971 0.0333 0.5318 ( 3738 PWs) bands (ev): -17.1231 -17.1231 -17.1230 -17.1230 -16.0342 -16.0342 -16.0342 -16.0342 -5.1595 -5.1595 -5.1594 -5.1594 -3.4028 -3.4028 -3.4027 -3.4027 -2.7867 -2.7867 -2.7856 -2.7856 -0.8632 -0.8632 -0.8631 -0.8631 -0.6668 -0.6668 -0.6616 -0.6616 -0.2014 -0.2014 -0.1976 -0.1976 5.6359 5.6359 5.6363 5.6363 7.1703 7.1703 7.1729 7.1729 k = 0.3897 0.0421 0.5443 ( 3736 PWs) bands (ev): -17.1211 -17.1211 -17.1210 -17.1210 -16.0363 -16.0363 -16.0362 -16.0362 -5.1632 -5.1632 -5.1631 -5.1631 -3.4082 -3.4082 -3.4081 -3.4081 -2.7838 -2.7838 -2.7827 -2.7827 -0.8671 -0.8671 -0.8670 -0.8670 -0.6673 -0.6673 -0.6623 -0.6623 -0.1878 -0.1878 -0.1841 -0.1841 5.6373 5.6373 5.6377 5.6377 7.1551 7.1551 7.1578 7.1578 k = 0.3824 0.0509 0.5569 ( 3738 PWs) bands (ev): -17.1190 -17.1190 -17.1190 -17.1190 -16.0384 -16.0384 -16.0383 -16.0383 -5.1669 -5.1669 -5.1669 -5.1669 -3.4135 -3.4135 -3.4134 -3.4134 -2.7812 -2.7812 -2.7801 -2.7801 -0.8719 -0.8719 -0.8717 -0.8717 -0.6660 -0.6660 -0.6613 -0.6613 -0.1750 -0.1750 -0.1714 -0.1714 5.6387 5.6387 5.6391 5.6391 7.1399 7.1399 7.1426 7.1426 k = 0.3750 0.0597 0.5694 ( 3740 PWs) bands (ev): -17.1169 -17.1169 -17.1169 -17.1169 -16.0406 -16.0406 -16.0405 -16.0405 -5.1707 -5.1707 -5.1706 -5.1706 -3.4187 -3.4187 -3.4186 -3.4186 -2.7787 -2.7787 -2.7777 -2.7777 -0.8773 -0.8773 -0.8770 -0.8770 -0.6631 -0.6631 -0.6587 -0.6587 -0.1629 -0.1629 -0.1595 -0.1595 5.6400 5.6400 5.6404 5.6404 7.1247 7.1247 7.1274 7.1274 k = 0.3676 0.0685 0.5819 ( 3740 PWs) bands (ev): -17.1149 -17.1149 -17.1148 -17.1148 -16.0427 -16.0427 -16.0426 -16.0426 -5.1744 -5.1744 -5.1744 -5.1744 -3.4238 -3.4238 -3.4237 -3.4237 -2.7765 -2.7765 -2.7755 -2.7755 -0.8832 -0.8832 -0.8828 -0.8828 -0.6589 -0.6589 -0.6547 -0.6547 -0.1517 -0.1517 -0.1485 -0.1485 5.6413 5.6413 5.6417 5.6417 7.1097 7.1097 7.1124 7.1124 k = 0.3603 0.0773 0.5945 ( 3736 PWs) bands (ev): -17.1128 -17.1128 -17.1127 -17.1127 -16.0449 -16.0449 -16.0448 -16.0448 -5.1781 -5.1781 -5.1781 -5.1781 -3.4286 -3.4286 -3.4285 -3.4285 -2.7746 -2.7746 -2.7736 -2.7736 -0.8894 -0.8894 -0.8888 -0.8888 -0.6535 -0.6535 -0.6496 -0.6496 -0.1414 -0.1414 -0.1382 -0.1382 5.6425 5.6425 5.6429 5.6429 7.0951 7.0951 7.0976 7.0976 k = 0.3529 0.0861 0.6070 ( 3734 PWs) bands (ev): -17.1107 -17.1107 -17.1107 -17.1107 -16.0470 -16.0470 -16.0469 -16.0469 -5.1818 -5.1818 -5.1817 -5.1817 -3.4333 -3.4333 -3.4332 -3.4332 -2.7729 -2.7729 -2.7719 -2.7719 -0.8956 -0.8956 -0.8950 -0.8950 -0.6473 -0.6473 -0.6437 -0.6437 -0.1319 -0.1319 -0.1289 -0.1289 5.6437 5.6437 5.6441 5.6441 7.0808 7.0808 7.0833 7.0833 k = 0.3456 0.0949 0.6195 ( 3736 PWs) bands (ev): -17.1087 -17.1087 -17.1087 -17.1087 -16.0491 -16.0491 -16.0490 -16.0490 -5.1853 -5.1853 -5.1852 -5.1852 -3.4377 -3.4377 -3.4376 -3.4376 -2.7714 -2.7714 -2.7704 -2.7704 -0.9018 -0.9018 -0.9012 -0.9012 -0.6405 -0.6405 -0.6371 -0.6371 -0.1232 -0.1232 -0.1204 -0.1204 5.6448 5.6448 5.6452 5.6452 7.0672 7.0672 7.0695 7.0695 k = 0.3382 0.1036 0.6320 ( 3742 PWs) bands (ev): -17.1068 -17.1068 -17.1067 -17.1067 -16.0511 -16.0511 -16.0510 -16.0510 -5.1887 -5.1887 -5.1886 -5.1886 -3.4418 -3.4418 -3.4418 -3.4418 -2.7701 -2.7701 -2.7692 -2.7692 -0.9078 -0.9078 -0.9072 -0.9072 -0.6333 -0.6333 -0.6302 -0.6302 -0.1154 -0.1154 -0.1127 -0.1127 5.6458 5.6458 5.6461 5.6461 7.0541 7.0541 7.0564 7.0564 k = 0.3309 0.1124 0.6446 ( 3740 PWs) bands (ev): -17.1049 -17.1049 -17.1049 -17.1049 -16.0530 -16.0530 -16.0529 -16.0529 -5.1919 -5.1919 -5.1918 -5.1918 -3.4457 -3.4457 -3.4457 -3.4457 -2.7691 -2.7691 -2.7682 -2.7682 -0.9136 -0.9136 -0.9129 -0.9129 -0.6259 -0.6259 -0.6230 -0.6230 -0.1083 -0.1083 -0.1059 -0.1059 5.6467 5.6467 5.6471 5.6471 7.0418 7.0418 7.0439 7.0439 k = 0.3235 0.1212 0.6571 ( 3738 PWs) bands (ev): -17.1032 -17.1032 -17.1031 -17.1031 -16.0548 -16.0548 -16.0547 -16.0547 -5.1949 -5.1949 -5.1949 -5.1949 -3.4493 -3.4493 -3.4493 -3.4493 -2.7682 -2.7682 -2.7674 -2.7674 -0.9190 -0.9190 -0.9183 -0.9183 -0.6185 -0.6185 -0.6158 -0.6158 -0.1021 -0.1021 -0.0998 -0.0998 5.6475 5.6475 5.6479 5.6479 7.0303 7.0303 7.0323 7.0323 k = 0.3162 0.1300 0.6696 ( 3734 PWs) bands (ev): -17.1015 -17.1015 -17.1015 -17.1015 -16.0565 -16.0565 -16.0564 -16.0564 -5.1978 -5.1978 -5.1977 -5.1977 -3.4526 -3.4526 -3.4526 -3.4526 -2.7675 -2.7675 -2.7668 -2.7668 -0.9240 -0.9240 -0.9233 -0.9233 -0.6112 -0.6112 -0.6088 -0.6088 -0.0966 -0.0966 -0.0945 -0.0945 5.6483 5.6483 5.6486 5.6486 7.0197 7.0197 7.0215 7.0215 k = 0.3088 0.1388 0.6822 ( 3732 PWs) bands (ev): -17.1000 -17.1000 -17.0999 -17.0999 -16.0581 -16.0581 -16.0580 -16.0580 -5.2003 -5.2003 -5.2003 -5.2003 -3.4555 -3.4555 -3.4555 -3.4555 -2.7669 -2.7669 -2.7663 -2.7663 -0.9285 -0.9285 -0.9279 -0.9279 -0.6042 -0.6042 -0.6021 -0.6021 -0.0918 -0.0918 -0.0900 -0.0900 5.6490 5.6490 5.6493 5.6493 7.0101 7.0101 7.0117 7.0117 k = 0.3015 0.1476 0.6947 ( 3730 PWs) bands (ev): -17.0986 -17.0986 -17.0986 -17.0986 -16.0595 -16.0595 -16.0594 -16.0594 -5.2027 -5.2027 -5.2026 -5.2026 -3.4582 -3.4582 -3.4581 -3.4581 -2.7665 -2.7665 -2.7659 -2.7659 -0.9326 -0.9326 -0.9320 -0.9320 -0.5977 -0.5977 -0.5959 -0.5959 -0.0877 -0.0877 -0.0861 -0.0861 5.6496 5.6496 5.6498 5.6498 7.0015 7.0015 7.0029 7.0029 k = 0.2941 0.1564 0.7072 ( 3738 PWs) bands (ev): -17.0974 -17.0974 -17.0973 -17.0973 -16.0608 -16.0608 -16.0607 -16.0607 -5.2047 -5.2047 -5.2047 -5.2047 -3.4605 -3.4605 -3.4604 -3.4604 -2.7661 -2.7661 -2.7657 -2.7657 -0.9361 -0.9361 -0.9356 -0.9356 -0.5918 -0.5918 -0.5902 -0.5902 -0.0843 -0.0843 -0.0828 -0.0828 5.6501 5.6501 5.6503 5.6503 6.9939 6.9939 6.9952 6.9952 k = 0.2868 0.1652 0.7197 ( 3734 PWs) bands (ev): -17.0963 -17.0963 -17.0963 -17.0963 -16.0619 -16.0619 -16.0618 -16.0618 -5.2065 -5.2065 -5.2065 -5.2065 -3.4624 -3.4624 -3.4624 -3.4624 -2.7659 -2.7659 -2.7655 -2.7655 -0.9392 -0.9392 -0.9387 -0.9387 -0.5865 -0.5865 -0.5852 -0.5852 -0.0814 -0.0814 -0.0802 -0.0802 5.6505 5.6505 5.6507 5.6507 6.9874 6.9874 6.9885 6.9885 k = 0.2794 0.1740 0.7323 ( 3732 PWs) bands (ev): -17.0955 -17.0955 -17.0954 -17.0954 -16.0628 -16.0628 -16.0627 -16.0627 -5.2080 -5.2080 -5.2079 -5.2079 -3.4640 -3.4640 -3.4640 -3.4640 -2.7657 -2.7657 -2.7654 -2.7654 -0.9416 -0.9416 -0.9413 -0.9413 -0.5821 -0.5821 -0.5810 -0.5810 -0.0791 -0.0791 -0.0781 -0.0781 5.6508 5.6508 5.6510 5.6510 6.9821 6.9821 6.9830 6.9830 k = 0.2721 0.1828 0.7448 ( 3724 PWs) bands (ev): -17.0948 -17.0948 -17.0947 -17.0947 -16.0635 -16.0635 -16.0634 -16.0634 -5.2091 -5.2091 -5.2091 -5.2091 -3.4653 -3.4653 -3.4653 -3.4653 -2.7655 -2.7655 -2.7653 -2.7653 -0.9436 -0.9436 -0.9433 -0.9433 -0.5785 -0.5785 -0.5777 -0.5777 -0.0773 -0.0773 -0.0766 -0.0766 5.6511 5.6511 5.6512 5.6512 6.9780 6.9780 6.9787 6.9787 k = 0.2647 0.1915 0.7573 ( 3726 PWs) bands (ev): -17.0943 -17.0943 -17.0942 -17.0942 -16.0640 -16.0640 -16.0639 -16.0639 -5.2099 -5.2099 -5.2099 -5.2099 -3.4662 -3.4662 -3.4662 -3.4662 -2.7654 -2.7654 -2.7653 -2.7653 -0.9449 -0.9449 -0.9447 -0.9447 -0.5758 -0.5758 -0.5753 -0.5753 -0.0761 -0.0761 -0.0756 -0.0756 5.6513 5.6513 5.6514 5.6514 6.9751 6.9751 6.9755 6.9755 k = 0.2574 0.2003 0.7699 ( 3728 PWs) bands (ev): -17.0940 -17.0940 -17.0939 -17.0939 -16.0643 -16.0643 -16.0642 -16.0642 -5.2104 -5.2104 -5.2104 -5.2104 -3.4667 -3.4667 -3.4667 -3.4667 -2.7654 -2.7654 -2.7653 -2.7653 -0.9457 -0.9457 -0.9456 -0.9456 -0.5741 -0.5741 -0.5739 -0.5739 -0.0752 -0.0752 -0.0750 -0.0750 5.6514 5.6514 5.6515 5.6515 6.9734 6.9734 6.9736 6.9736 k = 0.2500 0.2091 0.7824 ( 3732 PWs) bands (ev): -17.0939 -17.0939 -17.0938 -17.0938 -16.0644 -16.0644 -16.0644 -16.0644 -5.2106 -5.2106 -5.2106 -5.2106 -3.4669 -3.4669 -3.4669 -3.4669 -2.7653 -2.7653 -2.7653 -2.7653 -0.9460 -0.9460 -0.9460 -0.9460 -0.5735 -0.5735 -0.5735 -0.5735 -0.0749 -0.0749 -0.0749 -0.0749 5.6515 5.6515 5.6515 5.6515 6.9729 6.9729 6.9729 6.9729 k = 0.1749-0.2091 0.7824 ( 3732 PWs) bands (ev): -17.3303 -17.3303 -16.8486 -16.8486 -16.0650 -16.0650 -16.0612 -16.0612 -5.5667 -5.5667 -4.8983 -4.8983 -3.5881 -3.5881 -3.1344 -3.1344 -3.0293 -3.0293 -2.2190 -2.2190 -1.0307 -1.0307 -0.9921 -0.9921 -0.8677 -0.8677 -0.8061 -0.8061 -0.1737 -0.1737 0.0923 0.0923 5.1004 5.1004 6.2517 6.2517 6.9430 6.9430 6.9542 6.9542 k = 0.1823-0.2180 0.7698 ( 3732 PWs) bands (ev): -17.3304 -17.3304 -16.8511 -16.8511 -16.0626 -16.0626 -16.0614 -16.0614 -5.5669 -5.5669 -4.8981 -4.8981 -3.5851 -3.5851 -3.1239 -3.1239 -3.0275 -3.0275 -2.2197 -2.2197 -1.0311 -1.0311 -0.9827 -0.9827 -0.8578 -0.8578 -0.8132 -0.8132 -0.1842 -0.1842 0.0790 0.0790 5.1025 5.1025 6.2562 6.2562 6.9333 6.9333 6.9583 6.9583 k = 0.1897-0.2268 0.7571 ( 3732 PWs) bands (ev): -17.3306 -17.3306 -16.8537 -16.8537 -16.0632 -16.0632 -16.0582 -16.0582 -5.5672 -5.5672 -4.8978 -4.8978 -3.5808 -3.5808 -3.1130 -3.1130 -3.0266 -3.0266 -2.2211 -2.2211 -1.0300 -1.0300 -0.9743 -0.9743 -0.8483 -0.8483 -0.8183 -0.8183 -0.1962 -0.1962 0.0650 0.0650 5.1039 5.1039 6.2613 6.2613 6.9202 6.9202 6.9652 6.9652 k = 0.1971-0.2357 0.7445 ( 3738 PWs) bands (ev): -17.3310 -17.3310 -16.8563 -16.8563 -16.0639 -16.0639 -16.0548 -16.0548 -5.5675 -5.5675 -4.8974 -4.8974 -3.5751 -3.5751 -3.1019 -3.1019 -3.0268 -3.0268 -2.2232 -2.2232 -1.0276 -1.0276 -0.9673 -0.9673 -0.8397 -0.8397 -0.8206 -0.8206 -0.2097 -0.2097 0.0504 0.0504 5.1047 5.1047 6.2671 6.2671 6.9062 6.9062 6.9724 6.9724 k = 0.2046-0.2445 0.7319 ( 3733 PWs) bands (ev): -17.3315 -17.3315 -16.8589 -16.8589 -16.0645 -16.0645 -16.0512 -16.0512 -5.5678 -5.5678 -4.8969 -4.8969 -3.5682 -3.5682 -3.0906 -3.0906 -3.0280 -3.0280 -2.2259 -2.2259 -1.0237 -1.0237 -0.9622 -0.9622 -0.8329 -0.8329 -0.8188 -0.8188 -0.2246 -0.2246 0.0355 0.0355 5.1050 5.1050 6.2734 6.2734 6.8917 6.8917 6.9793 6.9793 k = 0.2120-0.2534 0.7193 ( 3728 PWs) bands (ev): -17.3321 -17.3321 -16.8615 -16.8615 -16.0651 -16.0651 -16.0477 -16.0477 -5.5683 -5.5683 -4.8963 -4.8963 -3.5600 -3.5600 -3.0791 -3.0791 -3.0304 -3.0304 -2.2292 -2.2292 -1.0184 -1.0184 -0.9592 -0.9592 -0.8280 -0.8280 -0.8129 -0.8129 -0.2409 -0.2409 0.0203 0.0203 5.1049 5.1049 6.2802 6.2802 6.8768 6.8768 6.9859 6.9859 k = 0.2194-0.2622 0.7067 ( 3734 PWs) bands (ev): -17.3329 -17.3329 -16.8640 -16.8640 -16.0656 -16.0656 -16.0441 -16.0441 -5.5687 -5.5687 -4.8956 -4.8956 -3.5505 -3.5505 -3.0676 -3.0676 -3.0338 -3.0338 -2.2330 -2.2330 -1.0116 -1.0116 -0.9581 -0.9581 -0.8227 -0.8227 -0.8050 -0.8050 -0.2584 -0.2584 0.0048 0.0048 5.1045 5.1045 6.2875 6.2875 6.8616 6.8616 6.9920 6.9920 k = 0.2268-0.2711 0.6941 ( 3732 PWs) bands (ev): -17.3337 -17.3337 -16.8665 -16.8665 -16.0660 -16.0660 -16.0406 -16.0406 -5.5692 -5.5692 -4.8949 -4.8949 -3.5398 -3.5398 -3.0560 -3.0560 -3.0385 -3.0385 -2.2372 -2.2372 -1.0035 -1.0035 -0.9588 -0.9588 -0.8161 -0.8161 -0.7966 -0.7966 -0.2771 -0.2771 -0.0108 -0.0108 5.1038 5.1038 6.2951 6.2951 6.8461 6.8461 6.9976 6.9976 k = 0.2342-0.2799 0.6814 ( 3740 PWs) bands (ev): -17.3346 -17.3346 -16.8690 -16.8690 -16.0663 -16.0663 -16.0371 -16.0371 -5.5698 -5.5698 -4.8942 -4.8942 -3.5280 -3.5280 -3.0456 -3.0456 -3.0432 -3.0432 -2.2419 -2.2419 -0.9943 -0.9943 -0.9608 -0.9608 -0.8080 -0.8080 -0.7882 -0.7882 -0.2969 -0.2969 -0.0263 -0.0263 5.1029 5.1029 6.3031 6.3031 6.8306 6.8306 7.0026 7.0026 k = 0.2416-0.2888 0.6688 ( 3742 PWs) bands (ev): -17.3355 -17.3355 -16.8713 -16.8713 -16.0666 -16.0666 -16.0337 -16.0337 -5.5703 -5.5703 -4.8934 -4.8934 -3.5150 -3.5150 -3.0515 -3.0515 -3.0329 -3.0329 -2.2468 -2.2468 -0.9842 -0.9842 -0.9630 -0.9630 -0.7989 -0.7989 -0.7798 -0.7798 -0.3177 -0.3177 -0.0417 -0.0417 5.1019 5.1019 6.3112 6.3112 6.8152 6.8152 7.0070 7.0070 k = 0.2490-0.2976 0.6562 ( 3746 PWs) bands (ev): -17.3364 -17.3364 -16.8736 -16.8736 -16.0668 -16.0668 -16.0304 -16.0304 -5.5709 -5.5709 -4.8926 -4.8926 -3.5011 -3.5011 -3.0597 -3.0597 -3.0217 -3.0217 -2.2520 -2.2520 -0.9762 -0.9762 -0.9626 -0.9626 -0.7893 -0.7893 -0.7715 -0.7715 -0.3394 -0.3394 -0.0569 -0.0569 5.1007 5.1007 6.3195 6.3195 6.7999 6.7999 7.0108 7.0108 k = 0.2564-0.3065 0.6436 ( 3738 PWs) bands (ev): -17.3374 -17.3374 -16.8757 -16.8757 -16.0670 -16.0670 -16.0272 -16.0272 -5.5715 -5.5715 -4.8918 -4.8918 -3.4861 -3.4861 -3.0691 -3.0691 -3.0108 -3.0108 -2.2574 -2.2574 -0.9759 -0.9759 -0.9535 -0.9535 -0.7798 -0.7798 -0.7632 -0.7632 -0.3619 -0.3619 -0.0717 -0.0717 5.0995 5.0995 6.3279 6.3279 6.7849 6.7849 7.0140 7.0140 k = 0.2638-0.3153 0.6310 ( 3734 PWs) bands (ev): -17.3383 -17.3383 -16.8777 -16.8777 -16.0671 -16.0671 -16.0242 -16.0242 -5.5721 -5.5721 -4.8910 -4.8910 -3.4702 -3.4702 -3.0797 -3.0797 -3.0003 -3.0003 -2.2628 -2.2628 -0.9791 -0.9791 -0.9398 -0.9398 -0.7707 -0.7707 -0.7546 -0.7546 -0.3851 -0.3851 -0.0860 -0.0860 5.0983 5.0983 6.3361 6.3361 6.7703 6.7703 7.0167 7.0167 k = 0.2712-0.3242 0.6184 ( 3732 PWs) bands (ev): -17.3392 -17.3392 -16.8796 -16.8796 -16.0672 -16.0672 -16.0214 -16.0214 -5.5726 -5.5726 -4.8903 -4.8903 -3.4536 -3.4536 -3.0914 -3.0914 -2.9903 -2.9903 -2.2681 -2.2681 -0.9828 -0.9828 -0.9243 -0.9243 -0.7626 -0.7626 -0.7457 -0.7457 -0.4089 -0.4089 -0.0997 -0.0997 5.0971 5.0971 6.3442 6.3442 6.7564 6.7564 7.0188 7.0188 k = 0.2786-0.3331 0.6057 ( 3728 PWs) bands (ev): -17.3401 -17.3401 -16.8814 -16.8814 -16.0673 -16.0673 -16.0187 -16.0187 -5.5732 -5.5732 -4.8896 -4.8896 -3.4362 -3.4362 -3.1041 -3.1041 -2.9808 -2.9808 -2.2734 -2.2734 -0.9866 -0.9866 -0.9076 -0.9076 -0.7556 -0.7556 -0.7366 -0.7366 -0.4330 -0.4330 -0.1127 -0.1127 5.0960 5.0960 6.3520 6.3520 6.7432 6.7432 7.0206 7.0206 k = 0.2860-0.3419 0.5931 ( 3725 PWs) bands (ev): -17.3409 -17.3409 -16.8830 -16.8830 -16.0673 -16.0673 -16.0163 -16.0163 -5.5737 -5.5737 -4.8889 -4.8889 -3.4181 -3.4181 -3.1179 -3.1179 -2.9720 -2.9720 -2.2784 -2.2784 -0.9902 -0.9902 -0.8900 -0.8900 -0.7496 -0.7496 -0.7274 -0.7274 -0.4572 -0.4572 -0.1248 -0.1248 5.0949 5.0949 6.3593 6.3593 6.7309 6.7309 7.0219 7.0219 k = 0.2934-0.3508 0.5805 ( 3729 PWs) bands (ev): -17.3417 -17.3417 -16.8844 -16.8844 -16.0674 -16.0674 -16.0141 -16.0141 -5.5742 -5.5742 -4.8883 -4.8883 -3.3996 -3.3996 -3.1327 -3.1327 -2.9640 -2.9640 -2.2831 -2.2831 -0.9935 -0.9935 -0.8716 -0.8716 -0.7446 -0.7446 -0.7186 -0.7186 -0.4815 -0.4815 -0.1359 -0.1359 5.0938 5.0938 6.3661 6.3661 6.7196 6.7196 7.0228 7.0228 k = 0.3008-0.3596 0.5679 ( 3728 PWs) bands (ev): -17.3424 -17.3424 -16.8856 -16.8856 -16.0674 -16.0674 -16.0122 -16.0122 -5.5746 -5.5746 -4.8878 -4.8878 -3.3806 -3.3806 -3.1483 -3.1483 -2.9568 -2.9568 -2.2874 -2.2874 -0.9964 -0.9964 -0.8527 -0.8527 -0.7403 -0.7403 -0.7105 -0.7105 -0.5055 -0.5055 -0.1459 -0.1459 5.0929 5.0929 6.3723 6.3723 6.7096 6.7096 7.0235 7.0235 k = 0.3082-0.3685 0.5553 ( 3730 PWs) bands (ev): -17.3430 -17.3430 -16.8867 -16.8867 -16.0674 -16.0674 -16.0106 -16.0106 -5.5750 -5.5750 -4.8873 -4.8873 -3.3613 -3.3613 -3.1647 -3.1647 -2.9505 -2.9505 -2.2913 -2.2913 -0.9989 -0.9989 -0.8337 -0.8337 -0.7368 -0.7368 -0.7033 -0.7033 -0.5288 -0.5288 -0.1547 -0.1547 5.0921 5.0921 6.3778 6.3778 6.7008 6.7008 7.0240 7.0240 k = 0.3156-0.3773 0.5427 ( 3736 PWs) bands (ev): -17.3435 -17.3435 -16.8876 -16.8876 -16.0674 -16.0674 -16.0092 -16.0092 -5.5753 -5.5753 -4.8869 -4.8869 -3.3419 -3.3419 -3.1817 -3.1817 -2.9453 -2.9453 -2.2945 -2.2945 -1.0010 -1.0010 -0.8151 -0.8151 -0.7341 -0.7341 -0.6971 -0.6971 -0.5509 -0.5509 -0.1620 -0.1620 5.0914 5.0914 6.3824 6.3824 6.6934 6.6934 7.0243 7.0243 k = 0.3230-0.3862 0.5300 ( 3746 PWs) bands (ev): -17.3438 -17.3438 -16.8883 -16.8883 -16.0674 -16.0674 -16.0082 -16.0082 -5.5756 -5.5756 -4.8866 -4.8866 -3.3227 -3.3227 -3.1991 -3.1991 -2.9412 -2.9412 -2.2971 -2.2971 -1.0027 -1.0027 -0.7975 -0.7975 -0.7322 -0.7322 -0.6922 -0.6922 -0.5709 -0.5709 -0.1679 -0.1679 5.0909 5.0909 6.3860 6.3860 6.6876 6.6876 7.0245 7.0245 k = 0.3304-0.3950 0.5174 ( 3746 PWs) bands (ev): -17.3441 -17.3441 -16.8888 -16.8888 -16.0674 -16.0674 -16.0074 -16.0074 -5.5758 -5.5758 -4.8863 -4.8863 -3.3041 -3.3041 -3.2163 -3.2163 -2.9382 -2.9382 -2.2990 -2.2990 -1.0038 -1.0038 -0.7823 -0.7823 -0.7311 -0.7311 -0.6887 -0.6887 -0.5875 -0.5875 -0.1721 -0.1721 5.0905 5.0905 6.3887 6.3887 6.6834 6.6834 7.0246 7.0246 k = 0.3378-0.4039 0.5048 ( 3742 PWs) bands (ev): -17.3443 -17.3443 -16.8891 -16.8891 -16.0674 -16.0674 -16.0069 -16.0069 -5.5759 -5.5759 -4.8862 -4.8862 -3.2876 -3.2876 -3.2320 -3.2320 -2.9363 -2.9363 -2.3001 -2.3001 -1.0046 -1.0046 -0.7715 -0.7715 -0.7308 -0.7308 -0.6866 -0.6866 -0.5988 -0.5988 -0.1747 -0.1747 5.0903 5.0903 6.3903 6.3903 6.6808 6.6808 7.0247 7.0247 k = 0.3452-0.4127 0.4922 ( 3738 PWs) bands (ev): -17.3444 -17.3444 -16.8892 -16.8892 -16.0674 -16.0674 -16.0068 -16.0068 -5.5759 -5.5759 -4.8862 -4.8862 -3.2792 -3.2792 -3.2401 -3.2401 -2.9357 -2.9357 -2.3005 -2.3005 -1.0048 -1.0048 -0.7674 -0.7674 -0.7308 -0.7308 -0.6859 -0.6859 -0.6029 -0.6029 -0.1756 -0.1756 5.0902 5.0902 6.3909 6.3909 6.6800 6.6800 7.0247 7.0247 k = 0.6548 0.2332 0.2206 ( 3738 PWs) bands (ev): -17.3444 -17.3444 -16.8892 -16.8892 -16.0674 -16.0674 -16.0068 -16.0068 -5.5759 -5.5759 -4.8862 -4.8862 -3.2792 -3.2792 -3.2401 -3.2401 -2.9357 -2.9357 -2.3005 -2.3005 -1.0048 -1.0048 -0.7674 -0.7674 -0.7308 -0.7308 -0.6859 -0.6859 -0.6029 -0.6029 -0.1756 -0.1756 5.0902 5.0902 6.3909 6.3909 6.6800 6.6800 7.0247 7.0247 k = 0.6466 0.2430 0.2090 ( 3742 PWs) bands (ev): -17.3621 -17.3621 -16.8668 -16.8668 -16.0683 -16.0683 -16.0086 -16.0086 -5.6207 -5.6207 -4.8637 -4.8637 -3.2872 -3.2872 -3.2138 -3.2138 -2.9113 -2.9113 -2.2605 -2.2605 -1.0311 -1.0311 -0.7788 -0.7788 -0.7493 -0.7493 -0.7082 -0.7082 -0.6139 -0.6139 -0.1535 -0.1535 5.0395 5.0395 6.4492 6.4492 6.6590 6.6590 6.9670 6.9670 k = 0.6385 0.2527 0.1974 ( 3740 PWs) bands (ev): -17.3790 -17.3790 -16.8450 -16.8450 -16.0692 -16.0692 -16.0104 -16.0104 -5.6643 -5.6643 -4.8424 -4.8424 -3.2942 -3.2942 -3.1861 -3.1861 -2.8860 -2.8860 -2.2211 -2.2211 -1.0607 -1.0607 -0.7935 -0.7935 -0.7676 -0.7676 -0.7287 -0.7287 -0.6231 -0.6231 -0.1322 -0.1322 4.9904 4.9904 6.5032 6.5032 6.6398 6.6398 6.9126 6.9126 k = 0.6303 0.2625 0.1858 ( 3744 PWs) bands (ev): -17.3952 -17.3952 -16.8241 -16.8241 -16.0701 -16.0701 -16.0121 -16.0121 -5.7064 -5.7064 -4.8221 -4.8221 -3.3001 -3.3001 -3.1569 -3.1569 -2.8601 -2.8601 -2.1825 -2.1825 -1.0937 -1.0937 -0.8109 -0.8109 -0.7856 -0.7856 -0.7473 -0.7473 -0.6307 -0.6307 -0.1117 -0.1117 4.9430 4.9430 6.5529 6.5529 6.6222 6.6222 6.8615 6.8615 k = 0.6222 0.2722 0.1742 ( 3752 PWs) bands (ev): -17.4105 -17.4105 -16.8040 -16.8040 -16.0710 -16.0710 -16.0137 -16.0137 -5.7470 -5.7470 -4.8029 -4.8029 -3.3053 -3.3053 -3.1266 -3.1266 -2.8336 -2.8336 -2.1448 -2.1448 -1.1296 -1.1296 -0.8309 -0.8309 -0.8035 -0.8035 -0.7638 -0.7638 -0.6367 -0.6367 -0.0920 -0.0920 4.8977 4.8977 6.5975 6.5975 6.6070 6.6070 6.8137 6.8137 k = 0.6140 0.2819 0.1626 ( 3746 PWs) bands (ev): -17.4250 -17.4250 -16.7849 -16.7849 -16.0718 -16.0718 -16.0153 -16.0153 -5.7859 -5.7859 -4.7848 -4.7848 -3.3096 -3.3096 -3.0952 -3.0952 -2.8068 -2.8068 -2.1081 -2.1081 -1.1680 -1.1680 -0.8528 -0.8528 -0.8211 -0.8211 -0.7785 -0.7785 -0.6415 -0.6415 -0.0732 -0.0732 4.8544 4.8544 6.5911 6.5911 6.6400 6.6400 6.7692 6.7692 k = 0.6059 0.2917 0.1510 ( 3746 PWs) bands (ev): -17.4386 -17.4386 -16.7667 -16.7667 -16.0726 -16.0726 -16.0168 -16.0168 -5.8228 -5.8228 -4.7679 -4.7679 -3.3134 -3.3134 -3.0630 -3.0630 -2.7799 -2.7799 -2.0726 -2.0726 -1.2083 -1.2083 -0.8762 -0.8762 -0.8384 -0.8384 -0.7914 -0.7914 -0.6454 -0.6454 -0.0554 -0.0554 4.8133 4.8133 6.5779 6.5779 6.6768 6.6768 6.7281 6.7281 k = 0.5977 0.3014 0.1393 ( 3742 PWs) bands (ev): -17.4513 -17.4513 -16.7496 -16.7496 -16.0734 -16.0734 -16.0182 -16.0182 -5.8576 -5.8576 -4.7522 -4.7522 -3.3165 -3.3165 -3.0302 -3.0302 -2.7532 -2.7532 -2.0383 -2.0383 -1.2500 -1.2500 -0.9005 -0.9005 -0.8554 -0.8554 -0.8026 -0.8026 -0.6485 -0.6485 -0.0386 -0.0386 4.7746 4.7746 6.5659 6.5659 6.6890 6.6890 6.7109 6.7109 k = 0.5896 0.3111 0.1277 ( 3738 PWs) bands (ev): -17.4631 -17.4631 -16.7336 -16.7336 -16.0741 -16.0741 -16.0195 -16.0195 -5.8901 -5.8901 -4.7377 -4.7377 -3.3191 -3.3191 -2.9970 -2.9970 -2.7268 -2.7268 -2.0056 -2.0056 -1.2925 -1.2925 -0.9252 -0.9252 -0.8719 -0.8719 -0.8125 -0.8125 -0.6510 -0.6510 -0.0229 -0.0229 4.7385 4.7385 6.5551 6.5551 6.6547 6.6547 6.7395 6.7395 k = 0.5815 0.3209 0.1161 ( 3746 PWs) bands (ev): -17.4739 -17.4739 -16.7187 -16.7187 -16.0747 -16.0747 -16.0207 -16.0207 -5.9203 -5.9203 -4.7244 -4.7244 -3.3214 -3.3214 -2.9639 -2.9639 -2.7010 -2.7010 -1.9745 -1.9745 -1.3350 -1.3350 -0.9499 -0.9499 -0.8879 -0.8879 -0.8210 -0.8210 -0.6531 -0.6531 -0.0084 -0.0084 4.7050 4.7050 6.5454 6.5454 6.6232 6.6232 6.7648 6.7648 k = 0.5733 0.3306 0.1045 ( 3754 PWs) bands (ev): -17.4838 -17.4838 -16.7051 -16.7051 -16.0753 -16.0753 -16.0218 -16.0218 -5.9480 -5.9480 -4.7124 -4.7124 -3.3232 -3.3232 -2.9312 -2.9312 -2.6763 -2.6763 -1.9452 -1.9452 -1.3769 -1.3769 -0.9742 -0.9742 -0.9032 -0.9032 -0.8285 -0.8285 -0.6548 -0.6548 0.0049 0.0049 4.6743 4.6743 6.5368 6.5368 6.5949 6.5949 6.7867 6.7867 k = 0.5652 0.3404 0.0929 ( 3750 PWs) bands (ev): -17.4926 -17.4926 -16.6928 -16.6928 -16.0759 -16.0759 -16.0228 -16.0228 -5.9731 -5.9731 -4.7016 -4.7016 -3.3247 -3.3247 -2.8994 -2.8994 -2.6527 -2.6527 -1.9180 -1.9180 -1.4176 -1.4176 -0.9975 -0.9975 -0.9177 -0.9177 -0.8349 -0.8349 -0.6563 -0.6563 0.0169 0.0169 4.6465 4.6465 6.5290 6.5290 6.5699 6.5699 6.8054 6.8054 k = 0.5570 0.3501 0.0813 ( 3752 PWs) bands (ev): -17.5005 -17.5005 -16.6818 -16.6818 -16.0764 -16.0764 -16.0236 -16.0236 -5.9954 -5.9954 -4.6920 -4.6920 -3.3260 -3.3260 -2.8690 -2.8690 -2.6308 -2.6308 -1.8931 -1.8931 -1.4563 -1.4563 -1.0194 -1.0194 -0.9313 -0.9313 -0.8404 -0.8404 -0.6575 -0.6575 0.0276 0.0276 4.6217 4.6217 6.5218 6.5218 6.5484 6.5484 6.8211 6.8211 k = 0.5489 0.3598 0.0697 ( 3752 PWs) bands (ev): -17.5074 -17.5074 -16.6722 -16.6722 -16.0768 -16.0768 -16.0244 -16.0244 -6.0150 -6.0150 -4.6838 -4.6838 -3.3270 -3.3270 -2.8405 -2.8405 -2.6109 -2.6109 -1.8708 -1.8708 -1.4922 -1.4922 -1.0395 -1.0395 -0.9436 -0.9436 -0.8451 -0.8451 -0.6585 -0.6585 0.0370 0.0370 4.6000 4.6000 6.5142 6.5142 6.5312 6.5312 6.8340 6.8340 k = 0.5407 0.3696 0.0581 ( 3748 PWs) bands (ev): -17.5132 -17.5132 -16.6640 -16.6640 -16.0771 -16.0771 -16.0251 -16.0251 -6.0317 -6.0317 -4.6767 -4.6767 -3.3278 -3.3278 -2.8146 -2.8146 -2.5933 -2.5933 -1.8512 -1.8512 -1.5246 -1.5246 -1.0574 -1.0574 -0.9546 -0.9546 -0.8489 -0.8489 -0.6594 -0.6594 0.0450 0.0450 4.5815 4.5815 6.5047 6.5047 6.5199 6.5199 6.8446 6.8446 k = 0.5326 0.3793 0.0464 ( 3748 PWs) bands (ev): -17.5179 -17.5179 -16.6573 -16.6573 -16.0774 -16.0774 -16.0256 -16.0256 -6.0454 -6.0454 -4.6710 -4.6710 -3.3284 -3.3284 -2.7921 -2.7921 -2.5783 -2.5783 -1.8348 -1.8348 -1.5526 -1.5526 -1.0727 -1.0727 -0.9639 -0.9639 -0.8520 -0.8520 -0.6601 -0.6601 0.0516 0.0516 4.5663 4.5663 6.4939 6.4939 6.5137 6.5137 6.8528 6.8528 k = 0.5244 0.3890 0.0348 ( 3736 PWs) bands (ev): -17.5217 -17.5217 -16.6520 -16.6520 -16.0777 -16.0777 -16.0260 -16.0260 -6.0561 -6.0561 -4.6665 -4.6665 -3.3288 -3.3288 -2.7735 -2.7735 -2.5662 -2.5662 -1.8218 -1.8218 -1.5755 -1.5755 -1.0850 -1.0850 -0.9715 -0.9715 -0.8544 -0.8544 -0.6606 -0.6606 0.0568 0.0568 4.5544 4.5544 6.4846 6.4846 6.5100 6.5100 6.8590 6.8590 k = 0.5163 0.3988 0.0232 ( 3738 PWs) bands (ev): -17.5243 -17.5243 -16.6482 -16.6482 -16.0778 -16.0778 -16.0263 -16.0263 -6.0638 -6.0638 -4.6633 -4.6633 -3.3291 -3.3291 -2.7598 -2.7598 -2.5574 -2.5574 -1.8123 -1.8123 -1.5924 -1.5924 -1.0940 -1.0940 -0.9770 -0.9770 -0.8561 -0.8561 -0.6609 -0.6609 0.0605 0.0605 4.5458 4.5458 6.4776 6.4776 6.5076 6.5076 6.8633 6.8633 k = 0.5081 0.4085 0.0116 ( 3746 PWs) bands (ev): -17.5259 -17.5259 -16.6459 -16.6459 -16.0779 -16.0779 -16.0265 -16.0265 -6.0685 -6.0685 -4.6614 -4.6614 -3.3293 -3.3293 -2.7512 -2.7512 -2.5521 -2.5521 -1.8065 -1.8065 -1.6029 -1.6029 -1.0995 -1.0995 -0.9804 -0.9804 -0.8571 -0.8571 -0.6612 -0.6612 0.0627 0.0627 4.5407 4.5407 6.4734 6.4734 6.5062 6.5062 6.8658 6.8658 k = 0.5000 0.4182 0.0000 ( 3750 PWs) bands (ev): -17.5265 -17.5265 -16.6452 -16.6452 -16.0780 -16.0780 -16.0266 -16.0266 -6.0700 -6.0700 -4.6608 -4.6608 -3.3294 -3.3294 -2.7483 -2.7483 -2.5502 -2.5502 -1.8046 -1.8046 -1.6064 -1.6064 -1.1014 -1.1014 -0.9816 -0.9816 -0.8575 -0.8575 -0.6612 -0.6612 0.0634 0.0634 4.5389 4.5389 6.4720 6.4720 6.5057 6.5057 6.8666 6.8666 Writing output data file SiO2.save init_run : 0.24s CPU 0.36s WALL ( 1 calls) electrons : 148.61s CPU 150.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 148.60s CPU 150.78s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 367 calls) cegterg : 136.84s CPU 138.52s WALL ( 512 calls) Called by sum_band: Called by *egterg: h_psi : 93.20s CPU 94.66s WALL ( 8113 calls) s_psi : 3.33s CPU 3.38s WALL ( 8113 calls) g_psi : 0.19s CPU 0.20s WALL ( 7234 calls) cdiaghg : 38.10s CPU 38.50s WALL ( 7601 calls) cegterg:over : 4.20s CPU 4.22s WALL ( 7234 calls) cegterg:upda : 3.48s CPU 3.49s WALL ( 7234 calls) cegterg:last : 1.95s CPU 1.97s WALL ( 1459 calls) cdiaghg:chol : 2.20s CPU 2.15s WALL ( 7601 calls) cdiaghg:inve : 1.15s CPU 1.14s WALL ( 7601 calls) cdiaghg:para : 2.19s CPU 2.25s WALL ( 15202 calls) Called by h_psi: h_psi:vloc : 84.42s CPU 85.84s WALL ( 8113 calls) h_psi:vnl : 8.64s CPU 8.65s WALL ( 8113 calls) add_vuspsi : 4.15s CPU 4.19s WALL ( 8113 calls) General routines calbec : 4.46s CPU 4.44s WALL ( 8113 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 79.25s CPU 80.71s WALL ( 741760 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.23s WALL ( 734 calls) Parallel routines fft_scatter : 26.39s CPU 27.14s WALL ( 741783 calls) PWSCF : 2m41.72s CPU 2m59.06s WALL This run was terminated on: 21: 5:40 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=