Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:24: 8 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SiBr3.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 36 30 8 1627 1196 176 Max 37 31 9 1630 1220 182 Sum 2635 2161 595 117229 86999 12791 bravais-lattice index = 14 lattice parameter (alat) = 12.4934 a.u. unit-cell volume = 1822.5254 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 244.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.493361 celldm(2)= 1.000000 celldm(3)= 1.135482 celldm(4)= 0.159069 celldm(5)= 0.159069 celldm(6)= -0.496743 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.496743 0.867898 0.000000 ) a(3) = ( 0.180619 0.311489 1.076880 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.572352 -0.333279 ) b(2) = ( 0.000000 1.152210 -0.333279 ) b(3) = ( 0.000000 0.000000 0.928609 ) PseudoPot. # 1 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 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 Br 7.00 79.90400 Br( 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= 265 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0101230 0.0174577 -0.0050497), wk = 0.0037736 k( 3) = ( 0.0202460 0.0349154 -0.0100994), wk = 0.0037736 k( 4) = ( 0.0303690 0.0523732 -0.0151490), wk = 0.0037736 k( 5) = ( 0.0404920 0.0698309 -0.0201987), wk = 0.0037736 k( 6) = ( 0.0506149 0.0872886 -0.0252484), wk = 0.0037736 k( 7) = ( 0.0607379 0.1047463 -0.0302981), wk = 0.0037736 k( 8) = ( 0.0708609 0.1222040 -0.0353477), wk = 0.0037736 k( 9) = ( 0.0809839 0.1396618 -0.0403974), wk = 0.0037736 k( 10) = ( 0.0911069 0.1571195 -0.0454471), wk = 0.0037736 k( 11) = ( 0.1012299 0.1745772 -0.0504968), wk = 0.0037736 k( 12) = ( 0.1113529 0.1920349 -0.0555465), wk = 0.0037736 k( 13) = ( 0.1214759 0.2094926 -0.0605961), wk = 0.0037736 k( 14) = ( 0.1315989 0.2269504 -0.0656458), wk = 0.0037736 k( 15) = ( 0.1417219 0.2444081 -0.0706955), wk = 0.0037736 k( 16) = ( 0.1518449 0.2618658 -0.0757452), wk = 0.0037736 k( 17) = ( 0.1619678 0.2793235 -0.0807948), wk = 0.0037736 k( 18) = ( 0.1720908 0.2967813 -0.0858445), wk = 0.0037736 k( 19) = ( 0.1822138 0.3142390 -0.0908942), wk = 0.0037736 k( 20) = ( 0.1923368 0.3316967 -0.0959439), wk = 0.0037736 k( 21) = ( 0.2024598 0.3491544 -0.1009936), wk = 0.0037736 k( 22) = ( 0.2125828 0.3666121 -0.1060432), wk = 0.0037736 k( 23) = ( 0.2227058 0.3840699 -0.1110929), wk = 0.0037736 k( 24) = ( 0.2328288 0.4015276 -0.1161426), wk = 0.0037736 k( 25) = ( 0.2429518 0.4189853 -0.1211923), wk = 0.0037736 k( 26) = ( 0.2530748 0.4364430 -0.1262419), wk = 0.0037736 k( 27) = ( 0.2631978 0.4539007 -0.1312916), wk = 0.0037736 k( 28) = ( 0.2733207 0.4713585 -0.1363413), wk = 0.0037736 k( 29) = ( 0.2834437 0.4888162 -0.1413910), wk = 0.0037736 k( 30) = ( 0.2935667 0.5062739 -0.1464407), wk = 0.0037736 k( 31) = ( 0.3036897 0.5237316 -0.1514903), wk = 0.0037736 k( 32) = ( 0.3138127 0.5411893 -0.1565400), wk = 0.0037736 k( 33) = ( 0.3239357 0.5586471 -0.1615897), wk = 0.0037736 k( 34) = ( 0.3340587 0.5761048 -0.1666394), wk = 0.0037736 k( 35) = ( 0.3340587 0.5761048 -0.1666394), wk = 0.0037736 k( 36) = ( 0.3373871 0.5818448 -0.1467950), wk = 0.0037736 k( 37) = ( 0.3407155 0.5875848 -0.1269507), wk = 0.0037736 k( 38) = ( 0.3440438 0.5933248 -0.1071063), wk = 0.0037736 k( 39) = ( 0.3473722 0.5990648 -0.0872620), wk = 0.0037736 k( 40) = ( 0.3507006 0.6048048 -0.0674177), wk = 0.0037736 k( 41) = ( 0.3540290 0.6105449 -0.0475733), wk = 0.0037736 k( 42) = ( 0.3573574 0.6162849 -0.0277290), wk = 0.0037736 k( 43) = ( 0.3606858 0.6220249 -0.0078847), wk = 0.0037736 k( 44) = ( 0.3640142 0.6277649 0.0119597), wk = 0.0037736 k( 45) = ( 0.3673426 0.6335049 0.0318040), wk = 0.0037736 k( 46) = ( 0.3706709 0.6392449 0.0516483), wk = 0.0037736 k( 47) = ( 0.3739993 0.6449849 0.0714927), wk = 0.0037736 k( 48) = ( 0.3773277 0.6507249 0.0913370), wk = 0.0037736 k( 49) = ( 0.3806561 0.6564649 0.1111814), wk = 0.0037736 k( 50) = ( 0.3839845 0.6622050 0.1310257), wk = 0.0037736 k( 51) = ( 0.3839845 0.6622050 0.1310257), wk = 0.0037736 k( 52) = ( 0.3787292 0.6531418 0.1485667), wk = 0.0037736 k( 53) = ( 0.3734738 0.6440786 0.1661077), wk = 0.0037736 k( 54) = ( 0.3682185 0.6350154 0.1836486), wk = 0.0037736 k( 55) = ( 0.3629631 0.6259523 0.2011896), wk = 0.0037736 k( 56) = ( 0.3577078 0.6168891 0.2187306), wk = 0.0037736 k( 57) = ( 0.3524524 0.6078259 0.2362716), wk = 0.0037736 k( 58) = ( 0.3471971 0.5987627 0.2538126), wk = 0.0037736 k( 59) = ( 0.3419417 0.5896995 0.2713536), wk = 0.0037736 k( 60) = ( 0.3366864 0.5806364 0.2888946), wk = 0.0037736 k( 61) = ( 0.3314310 0.5715732 0.3064356), wk = 0.0037736 k( 62) = ( 0.3261756 0.5625100 0.3239765), wk = 0.0037736 k( 63) = ( 0.3209203 0.5534468 0.3415175), wk = 0.0037736 k( 64) = ( 0.3156649 0.5443837 0.3590585), wk = 0.0037736 k( 65) = ( 0.3104096 0.5353205 0.3765995), wk = 0.0037736 k( 66) = ( 0.3051543 0.5262573 0.3941405), wk = 0.0037736 k( 67) = ( 0.2998989 0.5171941 0.4116815), wk = 0.0037736 k( 68) = ( 0.2946435 0.5081310 0.4292225), wk = 0.0037736 k( 69) = ( 0.2893882 0.4990678 0.4467634), wk = 0.0037736 k( 70) = ( 0.2841328 0.4900046 0.4643044), wk = 0.0037736 k( 71) = ( 0.2841328 0.4900046 0.4643044), wk = 0.0037736 k( 72) = ( 0.2736094 0.4718563 0.4643044), wk = 0.0037736 k( 73) = ( 0.2630860 0.4537080 0.4643044), wk = 0.0037736 k( 74) = ( 0.2525625 0.4355597 0.4643044), wk = 0.0037736 k( 75) = ( 0.2420391 0.4174113 0.4643044), wk = 0.0037736 k( 76) = ( 0.2315157 0.3992630 0.4643044), wk = 0.0037736 k( 77) = ( 0.2209922 0.3811147 0.4643044), wk = 0.0037736 k( 78) = ( 0.2104688 0.3629664 0.4643044), wk = 0.0037736 k( 79) = ( 0.1999453 0.3448181 0.4643044), wk = 0.0037736 k( 80) = ( 0.1894219 0.3266697 0.4643044), wk = 0.0037736 k( 81) = ( 0.1788985 0.3085214 0.4643044), wk = 0.0037736 k( 82) = ( 0.1683750 0.2903731 0.4643044), wk = 0.0037736 k( 83) = ( 0.1578516 0.2722248 0.4643044), wk = 0.0037736 k( 84) = ( 0.1473281 0.2540765 0.4643044), wk = 0.0037736 k( 85) = ( 0.1368047 0.2359282 0.4643044), wk = 0.0037736 k( 86) = ( 0.1262813 0.2177798 0.4643044), wk = 0.0037736 k( 87) = ( 0.1157578 0.1996315 0.4643044), wk = 0.0037736 k( 88) = ( 0.1052344 0.1814832 0.4643044), wk = 0.0037736 k( 89) = ( 0.0947110 0.1633349 0.4643044), wk = 0.0037736 k( 90) = ( 0.0841875 0.1451866 0.4643044), wk = 0.0037736 k( 91) = ( 0.0736641 0.1270382 0.4643044), wk = 0.0037736 k( 92) = ( 0.0631406 0.1088899 0.4643044), wk = 0.0037736 k( 93) = ( 0.0526172 0.0907416 0.4643044), wk = 0.0037736 k( 94) = ( 0.0420938 0.0725933 0.4643044), wk = 0.0037736 k( 95) = ( 0.0315703 0.0544450 0.4643044), wk = 0.0037736 k( 96) = ( 0.0210469 0.0362966 0.4643044), wk = 0.0037736 k( 97) = ( 0.0105234 0.0181483 0.4643044), wk = 0.0037736 k( 98) = ( 0.0000000 0.0000000 0.4643044), wk = 0.0037736 k( 99) = ( 0.0000000 0.0000000 0.4643044), wk = 0.0037736 k( 100) = ( 0.0178571 -0.0103546 0.4643044), wk = 0.0037736 k( 101) = ( 0.0357143 -0.0207092 0.4643044), wk = 0.0037736 k( 102) = ( 0.0535714 -0.0310638 0.4643044), wk = 0.0037736 k( 103) = ( 0.0714286 -0.0414184 0.4643044), wk = 0.0037736 k( 104) = ( 0.0892857 -0.0517730 0.4643044), wk = 0.0037736 k( 105) = ( 0.1071429 -0.0621276 0.4643044), wk = 0.0037736 k( 106) = ( 0.1250000 -0.0724822 0.4643044), wk = 0.0037736 k( 107) = ( 0.1428571 -0.0828368 0.4643044), wk = 0.0037736 k( 108) = ( 0.1607143 -0.0931914 0.4643044), wk = 0.0037736 k( 109) = ( 0.1785714 -0.1035460 0.4643044), wk = 0.0037736 k( 110) = ( 0.1964286 -0.1139006 0.4643044), wk = 0.0037736 k( 111) = ( 0.2142857 -0.1242552 0.4643044), wk = 0.0037736 k( 112) = ( 0.2321429 -0.1346098 0.4643044), wk = 0.0037736 k( 113) = ( 0.2500000 -0.1449644 0.4643044), wk = 0.0037736 k( 114) = ( 0.2678571 -0.1553190 0.4643044), wk = 0.0037736 k( 115) = ( 0.2857143 -0.1656736 0.4643044), wk = 0.0037736 k( 116) = ( 0.3035714 -0.1760282 0.4643044), wk = 0.0037736 k( 117) = ( 0.3214286 -0.1863828 0.4643044), wk = 0.0037736 k( 118) = ( 0.3392857 -0.1967374 0.4643044), wk = 0.0037736 k( 119) = ( 0.3571429 -0.2070920 0.4643044), wk = 0.0037736 k( 120) = ( 0.3750000 -0.2174466 0.4643044), wk = 0.0037736 k( 121) = ( 0.3928571 -0.2278012 0.4643044), wk = 0.0037736 k( 122) = ( 0.4107143 -0.2381558 0.4643044), wk = 0.0037736 k( 123) = ( 0.4285714 -0.2485104 0.4643044), wk = 0.0037736 k( 124) = ( 0.4464286 -0.2588650 0.4643044), wk = 0.0037736 k( 125) = ( 0.4642857 -0.2692196 0.4643044), wk = 0.0037736 k( 126) = ( 0.4821429 -0.2795742 0.4643044), wk = 0.0037736 k( 127) = ( 0.5000000 -0.2899287 0.4643044), wk = 0.0037736 k( 128) = ( 0.5000000 -0.2899287 0.4643044), wk = 0.0037736 k( 129) = ( 0.5105469 -0.2717400 0.4643044), wk = 0.0037736 k( 130) = ( 0.5210937 -0.2535513 0.4643044), wk = 0.0037736 k( 131) = ( 0.5316406 -0.2353626 0.4643044), wk = 0.0037736 k( 132) = ( 0.5421875 -0.2171739 0.4643044), wk = 0.0037736 k( 133) = ( 0.5527343 -0.1989852 0.4643044), wk = 0.0037736 k( 134) = ( 0.5632812 -0.1807965 0.4643044), wk = 0.0037736 k( 135) = ( 0.5738280 -0.1626077 0.4643044), wk = 0.0037736 k( 136) = ( 0.5843749 -0.1444190 0.4643044), wk = 0.0037736 k( 137) = ( 0.5949218 -0.1262303 0.4643044), wk = 0.0037736 k( 138) = ( 0.6054686 -0.1080416 0.4643044), wk = 0.0037736 k( 139) = ( 0.6160155 -0.0898529 0.4643044), wk = 0.0037736 k( 140) = ( 0.7158672 0.0823475 0.1310257), wk = 0.0037736 k( 141) = ( 0.7125388 0.0766074 0.1111814), wk = 0.0037736 k( 142) = ( 0.7092104 0.0708674 0.0913370), wk = 0.0037736 k( 143) = ( 0.7058820 0.0651274 0.0714927), wk = 0.0037736 k( 144) = ( 0.7025536 0.0593874 0.0516483), wk = 0.0037736 k( 145) = ( 0.6992252 0.0536474 0.0318040), wk = 0.0037736 k( 146) = ( 0.6958968 0.0479074 0.0119597), wk = 0.0037736 k( 147) = ( 0.6925684 0.0421674 -0.0078847), wk = 0.0037736 k( 148) = ( 0.6892400 0.0364274 -0.0277290), wk = 0.0037736 k( 149) = ( 0.6859116 0.0306874 -0.0475733), wk = 0.0037736 k( 150) = ( 0.6825833 0.0249473 -0.0674177), wk = 0.0037736 k( 151) = ( 0.6792549 0.0192073 -0.0872620), wk = 0.0037736 k( 152) = ( 0.6759265 0.0134673 -0.1071064), wk = 0.0037736 k( 153) = ( 0.6725981 0.0077273 -0.1269507), wk = 0.0037736 k( 154) = ( 0.6692697 0.0019873 -0.1467950), wk = 0.0037736 k( 155) = ( 0.6659413 -0.0037527 -0.1666394), wk = 0.0037736 k( 156) = ( 0.6659413 -0.0037527 -0.1666394), wk = 0.0037736 k( 157) = ( 0.6567224 -0.0196514 -0.1573816), wk = 0.0037736 k( 158) = ( 0.6475034 -0.0355500 -0.1481239), wk = 0.0037736 k( 159) = ( 0.6382844 -0.0514487 -0.1388661), wk = 0.0037736 k( 160) = ( 0.6290655 -0.0673474 -0.1296084), wk = 0.0037736 k( 161) = ( 0.6198465 -0.0832461 -0.1203507), wk = 0.0037736 k( 162) = ( 0.6106276 -0.0991447 -0.1110929), wk = 0.0037736 k( 163) = ( 0.6014086 -0.1150434 -0.1018352), wk = 0.0037736 k( 164) = ( 0.5921896 -0.1309421 -0.0925774), wk = 0.0037736 k( 165) = ( 0.5829707 -0.1468407 -0.0833197), wk = 0.0037736 k( 166) = ( 0.5737517 -0.1627394 -0.0740619), wk = 0.0037736 k( 167) = ( 0.5645327 -0.1786381 -0.0648042), wk = 0.0037736 k( 168) = ( 0.5553138 -0.1945367 -0.0555465), wk = 0.0037736 k( 169) = ( 0.5460948 -0.2104354 -0.0462887), wk = 0.0037736 k( 170) = ( 0.5368759 -0.2263341 -0.0370310), wk = 0.0037736 k( 171) = ( 0.5276569 -0.2422327 -0.0277732), wk = 0.0037736 k( 172) = ( 0.5184379 -0.2581314 -0.0185155), wk = 0.0037736 k( 173) = ( 0.5092190 -0.2740301 -0.0092577), wk = 0.0037736 k( 174) = ( 0.5000000 -0.2899287 0.0000000), wk = 0.0037736 k( 175) = ( 0.5000000 -0.2899287 0.0000000), wk = 0.0037736 k( 176) = ( 0.4821429 -0.2795742 -0.0000000), wk = 0.0037736 k( 177) = ( 0.4642857 -0.2692196 -0.0000000), wk = 0.0037736 k( 178) = ( 0.4464286 -0.2588650 0.0000000), wk = 0.0037736 k( 179) = ( 0.4285714 -0.2485104 0.0000000), wk = 0.0037736 k( 180) = ( 0.4107143 -0.2381558 0.0000000), wk = 0.0037736 k( 181) = ( 0.3928571 -0.2278012 0.0000000), wk = 0.0037736 k( 182) = ( 0.3750000 -0.2174466 -0.0000000), wk = 0.0037736 k( 183) = ( 0.3571429 -0.2070920 -0.0000000), wk = 0.0037736 k( 184) = ( 0.3392857 -0.1967374 -0.0000000), wk = 0.0037736 k( 185) = ( 0.3214286 -0.1863828 0.0000000), wk = 0.0037736 k( 186) = ( 0.3035714 -0.1760282 0.0000000), wk = 0.0037736 k( 187) = ( 0.2857143 -0.1656736 -0.0000000), wk = 0.0037736 k( 188) = ( 0.2678571 -0.1553190 -0.0000000), wk = 0.0037736 k( 189) = ( 0.2500000 -0.1449644 0.0000000), wk = 0.0037736 k( 190) = ( 0.2321429 -0.1346098 0.0000000), wk = 0.0037736 k( 191) = ( 0.2142857 -0.1242552 0.0000000), wk = 0.0037736 k( 192) = ( 0.1964286 -0.1139006 0.0000000), wk = 0.0037736 k( 193) = ( 0.1785714 -0.1035460 -0.0000000), wk = 0.0037736 k( 194) = ( 0.1607143 -0.0931914 -0.0000000), wk = 0.0037736 k( 195) = ( 0.1428571 -0.0828368 -0.0000000), wk = 0.0037736 k( 196) = ( 0.1250000 -0.0724822 0.0000000), wk = 0.0037736 k( 197) = ( 0.1071429 -0.0621276 0.0000000), wk = 0.0037736 k( 198) = ( 0.0892857 -0.0517730 -0.0000000), wk = 0.0037736 k( 199) = ( 0.0714286 -0.0414184 -0.0000000), wk = 0.0037736 k( 200) = ( 0.0535714 -0.0310638 0.0000000), wk = 0.0037736 k( 201) = ( 0.0357143 -0.0207092 -0.0000000), wk = 0.0037736 k( 202) = ( 0.0178571 -0.0103546 0.0000000), wk = 0.0037736 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 205) = ( 0.0172414 0.0098681 -0.0057462), wk = 0.0037736 k( 206) = ( 0.0344828 0.0197363 -0.0114924), wk = 0.0037736 k( 207) = ( 0.0517241 0.0296044 -0.0172386), wk = 0.0037736 k( 208) = ( 0.0689655 0.0394726 -0.0229847), wk = 0.0037736 k( 209) = ( 0.0862069 0.0493407 -0.0287309), wk = 0.0037736 k( 210) = ( 0.1034483 0.0592088 -0.0344771), wk = 0.0037736 k( 211) = ( 0.1206897 0.0690770 -0.0402233), wk = 0.0037736 k( 212) = ( 0.1379310 0.0789451 -0.0459695), wk = 0.0037736 k( 213) = ( 0.1551724 0.0888133 -0.0517157), wk = 0.0037736 k( 214) = ( 0.1724138 0.0986814 -0.0574618), wk = 0.0037736 k( 215) = ( 0.1896552 0.1085495 -0.0632080), wk = 0.0037736 k( 216) = ( 0.2068966 0.1184177 -0.0689542), wk = 0.0037736 k( 217) = ( 0.2241379 0.1282858 -0.0747004), wk = 0.0037736 k( 218) = ( 0.2413793 0.1381539 -0.0804466), wk = 0.0037736 k( 219) = ( 0.2586207 0.1480221 -0.0861928), wk = 0.0037736 k( 220) = ( 0.2758621 0.1578902 -0.0919390), wk = 0.0037736 k( 221) = ( 0.2931034 0.1677584 -0.0976851), wk = 0.0037736 k( 222) = ( 0.3103448 0.1776265 -0.1034313), wk = 0.0037736 k( 223) = ( 0.3275862 0.1874946 -0.1091775), wk = 0.0037736 k( 224) = ( 0.3448276 0.1973628 -0.1149237), wk = 0.0037736 k( 225) = ( 0.3620690 0.2072309 -0.1206699), wk = 0.0037736 k( 226) = ( 0.3793103 0.2170991 -0.1264161), wk = 0.0037736 k( 227) = ( 0.3965517 0.2269672 -0.1321623), wk = 0.0037736 k( 228) = ( 0.4137931 0.2368353 -0.1379084), wk = 0.0037736 k( 229) = ( 0.4310345 0.2467035 -0.1436546), wk = 0.0037736 k( 230) = ( 0.4482759 0.2565716 -0.1494008), wk = 0.0037736 k( 231) = ( 0.4655172 0.2664398 -0.1551470), wk = 0.0037736 k( 232) = ( 0.4827586 0.2763079 -0.1608932), wk = 0.0037736 k( 233) = ( 0.5000000 0.2861760 -0.1666394), wk = 0.0037736 k( 234) = ( 0.5000000 0.2861760 0.2976651), wk = 0.0037736 k( 235) = ( 0.4838710 0.2769446 0.2880630), wk = 0.0037736 k( 236) = ( 0.4677419 0.2677131 0.2784609), wk = 0.0037736 k( 237) = ( 0.4516129 0.2584816 0.2688588), wk = 0.0037736 k( 238) = ( 0.4354839 0.2492501 0.2592567), wk = 0.0037736 k( 239) = ( 0.4193548 0.2400186 0.2496546), wk = 0.0037736 k( 240) = ( 0.4032258 0.2307871 0.2400525), wk = 0.0037736 k( 241) = ( 0.3870968 0.2215556 0.2304504), wk = 0.0037736 k( 242) = ( 0.3709677 0.2123242 0.2208483), wk = 0.0037736 k( 243) = ( 0.3548387 0.2030927 0.2112462), wk = 0.0037736 k( 244) = ( 0.3387097 0.1938612 0.2016441), wk = 0.0037736 k( 245) = ( 0.3225807 0.1846297 0.1920420), wk = 0.0037736 k( 246) = ( 0.3064516 0.1753982 0.1824399), wk = 0.0037736 k( 247) = ( 0.2903226 0.1661667 0.1728378), wk = 0.0037736 k( 248) = ( 0.2741936 0.1569352 0.1632357), wk = 0.0037736 k( 249) = ( 0.2580645 0.1477038 0.1536336), wk = 0.0037736 k( 250) = ( 0.2419355 0.1384723 0.1440315), wk = 0.0037736 k( 251) = ( 0.2258064 0.1292408 0.1344294), wk = 0.0037736 k( 252) = ( 0.2096774 0.1200093 0.1248273), wk = 0.0037736 k( 253) = ( 0.1935484 0.1107778 0.1152252), wk = 0.0037736 k( 254) = ( 0.1774194 0.1015463 0.1056231), wk = 0.0037736 k( 255) = ( 0.1612903 0.0923148 0.0960210), wk = 0.0037736 k( 256) = ( 0.1451613 0.0830834 0.0864189), wk = 0.0037736 k( 257) = ( 0.1290323 0.0738519 0.0768168), wk = 0.0037736 k( 258) = ( 0.1129032 0.0646204 0.0672147), wk = 0.0037736 k( 259) = ( 0.0967742 0.0553889 0.0576126), wk = 0.0037736 k( 260) = ( 0.0806452 0.0461574 0.0480105), wk = 0.0037736 k( 261) = ( 0.0645161 0.0369259 0.0384084), wk = 0.0037736 k( 262) = ( 0.0483871 0.0276945 0.0288063), wk = 0.0037736 k( 263) = ( 0.0322581 0.0184630 0.0192042), wk = 0.0037736 k( 264) = ( 0.0161290 0.0092315 0.0096021), wk = 0.0037736 k( 265) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0101230 0.0101230 0.0018284), wk = 0.0037736 k( 3) = ( 0.0202460 0.0202460 0.0036568), wk = 0.0037736 k( 4) = ( 0.0303690 0.0303690 0.0054852), wk = 0.0037736 k( 5) = ( 0.0404920 0.0404920 0.0073136), wk = 0.0037736 k( 6) = ( 0.0506149 0.0506149 0.0091420), wk = 0.0037736 k( 7) = ( 0.0607379 0.0607379 0.0109705), wk = 0.0037736 k( 8) = ( 0.0708609 0.0708609 0.0127989), wk = 0.0037736 k( 9) = ( 0.0809839 0.0809839 0.0146273), wk = 0.0037736 k( 10) = ( 0.0911069 0.0911069 0.0164557), wk = 0.0037736 k( 11) = ( 0.1012299 0.1012299 0.0182841), wk = 0.0037736 k( 12) = ( 0.1113529 0.1113529 0.0201125), wk = 0.0037736 k( 13) = ( 0.1214759 0.1214759 0.0219409), wk = 0.0037736 k( 14) = ( 0.1315989 0.1315989 0.0237693), wk = 0.0037736 k( 15) = ( 0.1417219 0.1417219 0.0255977), wk = 0.0037736 k( 16) = ( 0.1518449 0.1518448 0.0274261), wk = 0.0037736 k( 17) = ( 0.1619678 0.1619678 0.0292546), wk = 0.0037736 k( 18) = ( 0.1720908 0.1720908 0.0310830), wk = 0.0037736 k( 19) = ( 0.1822138 0.1822138 0.0329114), wk = 0.0037736 k( 20) = ( 0.1923368 0.1923368 0.0347398), wk = 0.0037736 k( 21) = ( 0.2024598 0.2024598 0.0365682), wk = 0.0037736 k( 22) = ( 0.2125828 0.2125828 0.0383966), wk = 0.0037736 k( 23) = ( 0.2227058 0.2227058 0.0402250), wk = 0.0037736 k( 24) = ( 0.2328288 0.2328288 0.0420534), wk = 0.0037736 k( 25) = ( 0.2429518 0.2429518 0.0438818), wk = 0.0037736 k( 26) = ( 0.2530748 0.2530748 0.0457102), wk = 0.0037736 k( 27) = ( 0.2631978 0.2631978 0.0475386), wk = 0.0037736 k( 28) = ( 0.2733207 0.2733207 0.0493670), wk = 0.0037736 k( 29) = ( 0.2834437 0.2834437 0.0511955), wk = 0.0037736 k( 30) = ( 0.2935667 0.2935667 0.0530239), wk = 0.0037736 k( 31) = ( 0.3036897 0.3036897 0.0548523), wk = 0.0037736 k( 32) = ( 0.3138127 0.3138127 0.0566807), wk = 0.0037736 k( 33) = ( 0.3239357 0.3239357 0.0585091), wk = 0.0037736 k( 34) = ( 0.3340587 0.3340587 0.0603375), wk = 0.0037736 k( 35) = ( 0.3340587 0.3340587 0.0603375), wk = 0.0037736 k( 36) = ( 0.3373871 0.3373871 0.0840966), wk = 0.0037736 k( 37) = ( 0.3407155 0.3407155 0.1078557), wk = 0.0037736 k( 38) = ( 0.3440438 0.3440438 0.1316148), wk = 0.0037736 k( 39) = ( 0.3473722 0.3473722 0.1553739), wk = 0.0037736 k( 40) = ( 0.3507006 0.3507006 0.1791329), wk = 0.0037736 k( 41) = ( 0.3540290 0.3540290 0.2028920), wk = 0.0037736 k( 42) = ( 0.3573574 0.3573574 0.2266511), wk = 0.0037736 k( 43) = ( 0.3606858 0.3606858 0.2504102), wk = 0.0037736 k( 44) = ( 0.3640142 0.3640142 0.2741693), wk = 0.0037736 k( 45) = ( 0.3673426 0.3673426 0.2979284), wk = 0.0037736 k( 46) = ( 0.3706709 0.3706709 0.3216875), wk = 0.0037736 k( 47) = ( 0.3739993 0.3739993 0.3454466), wk = 0.0037736 k( 48) = ( 0.3773277 0.3773277 0.3692056), wk = 0.0037736 k( 49) = ( 0.3806561 0.3806561 0.3929647), wk = 0.0037736 k( 50) = ( 0.3839845 0.3839845 0.4167238), wk = 0.0037736 k( 51) = ( 0.3839845 0.3839845 0.4167238), wk = 0.0037736 k( 52) = ( 0.3787292 0.3787292 0.4318410), wk = 0.0037736 k( 53) = ( 0.3734738 0.3734738 0.4469583), wk = 0.0037736 k( 54) = ( 0.3682185 0.3682185 0.4620755), wk = 0.0037736 k( 55) = ( 0.3629631 0.3629631 0.4771927), wk = 0.0037736 k( 56) = ( 0.3577078 0.3577078 0.4923100), wk = 0.0037736 k( 57) = ( 0.3524524 0.3524524 0.5074272), wk = 0.0037736 k( 58) = ( 0.3471971 0.3471971 0.5225444), wk = 0.0037736 k( 59) = ( 0.3419417 0.3419417 0.5376617), wk = 0.0037736 k( 60) = ( 0.3366864 0.3366864 0.5527789), wk = 0.0037736 k( 61) = ( 0.3314310 0.3314310 0.5678961), wk = 0.0037736 k( 62) = ( 0.3261756 0.3261756 0.5830133), wk = 0.0037736 k( 63) = ( 0.3209203 0.3209203 0.5981306), wk = 0.0037736 k( 64) = ( 0.3156649 0.3156649 0.6132478), wk = 0.0037736 k( 65) = ( 0.3104096 0.3104096 0.6283650), wk = 0.0037736 k( 66) = ( 0.3051543 0.3051543 0.6434823), wk = 0.0037736 k( 67) = ( 0.2998989 0.2998989 0.6585995), wk = 0.0037736 k( 68) = ( 0.2946435 0.2946435 0.6737167), wk = 0.0037736 k( 69) = ( 0.2893882 0.2893882 0.6888340), wk = 0.0037736 k( 70) = ( 0.2841328 0.2841328 0.7039512), wk = 0.0037736 k( 71) = ( 0.2841328 0.2841328 0.7039512), wk = 0.0037736 k( 72) = ( 0.2736094 0.2736094 0.6963974), wk = 0.0037736 k( 73) = ( 0.2630860 0.2630860 0.6888437), wk = 0.0037736 k( 74) = ( 0.2525625 0.2525625 0.6812899), wk = 0.0037736 k( 75) = ( 0.2420391 0.2420391 0.6737362), wk = 0.0037736 k( 76) = ( 0.2315157 0.2315157 0.6661824), wk = 0.0037736 k( 77) = ( 0.2209922 0.2209922 0.6586287), wk = 0.0037736 k( 78) = ( 0.2104688 0.2104688 0.6510750), wk = 0.0037736 k( 79) = ( 0.1999453 0.1999453 0.6435212), wk = 0.0037736 k( 80) = ( 0.1894219 0.1894219 0.6359675), wk = 0.0037736 k( 81) = ( 0.1788985 0.1788985 0.6284137), wk = 0.0037736 k( 82) = ( 0.1683750 0.1683750 0.6208600), wk = 0.0037736 k( 83) = ( 0.1578516 0.1578516 0.6133062), wk = 0.0037736 k( 84) = ( 0.1473281 0.1473281 0.6057525), wk = 0.0037736 k( 85) = ( 0.1368047 0.1368047 0.5981987), wk = 0.0037736 k( 86) = ( 0.1262813 0.1262813 0.5906450), wk = 0.0037736 k( 87) = ( 0.1157578 0.1157578 0.5830912), wk = 0.0037736 k( 88) = ( 0.1052344 0.1052344 0.5755375), wk = 0.0037736 k( 89) = ( 0.0947110 0.0947110 0.5679837), wk = 0.0037736 k( 90) = ( 0.0841875 0.0841875 0.5604300), wk = 0.0037736 k( 91) = ( 0.0736641 0.0736641 0.5528762), wk = 0.0037736 k( 92) = ( 0.0631406 0.0631406 0.5453225), wk = 0.0037736 k( 93) = ( 0.0526172 0.0526172 0.5377687), wk = 0.0037736 k( 94) = ( 0.0420938 0.0420938 0.5302150), wk = 0.0037736 k( 95) = ( 0.0315703 0.0315703 0.5226612), wk = 0.0037736 k( 96) = ( 0.0210469 0.0210469 0.5151075), wk = 0.0037736 k( 97) = ( 0.0105234 0.0105234 0.5075538), wk = 0.0037736 k( 98) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037736 k( 99) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037736 k( 100) = ( 0.0178571 -0.0178571 0.5000000), wk = 0.0037736 k( 101) = ( 0.0357143 -0.0357143 0.5000000), wk = 0.0037736 k( 102) = ( 0.0535714 -0.0535714 0.5000000), wk = 0.0037736 k( 103) = ( 0.0714286 -0.0714286 0.5000000), wk = 0.0037736 k( 104) = ( 0.0892857 -0.0892857 0.5000000), wk = 0.0037736 k( 105) = ( 0.1071429 -0.1071429 0.5000000), wk = 0.0037736 k( 106) = ( 0.1250000 -0.1250000 0.5000000), wk = 0.0037736 k( 107) = ( 0.1428571 -0.1428571 0.5000000), wk = 0.0037736 k( 108) = ( 0.1607143 -0.1607143 0.5000000), wk = 0.0037736 k( 109) = ( 0.1785714 -0.1785714 0.5000000), wk = 0.0037736 k( 110) = ( 0.1964286 -0.1964286 0.5000000), wk = 0.0037736 k( 111) = ( 0.2142857 -0.2142857 0.5000000), wk = 0.0037736 k( 112) = ( 0.2321429 -0.2321429 0.5000000), wk = 0.0037736 k( 113) = ( 0.2500000 -0.2500000 0.5000000), wk = 0.0037736 k( 114) = ( 0.2678571 -0.2678571 0.5000000), wk = 0.0037736 k( 115) = ( 0.2857143 -0.2857143 0.5000000), wk = 0.0037736 k( 116) = ( 0.3035714 -0.3035714 0.5000000), wk = 0.0037736 k( 117) = ( 0.3214286 -0.3214286 0.5000000), wk = 0.0037736 k( 118) = ( 0.3392857 -0.3392857 0.5000000), wk = 0.0037736 k( 119) = ( 0.3571429 -0.3571429 0.5000000), wk = 0.0037736 k( 120) = ( 0.3750000 -0.3750000 0.5000000), wk = 0.0037736 k( 121) = ( 0.3928571 -0.3928571 0.5000000), wk = 0.0037736 k( 122) = ( 0.4107143 -0.4107143 0.5000000), wk = 0.0037736 k( 123) = ( 0.4285714 -0.4285714 0.5000000), wk = 0.0037736 k( 124) = ( 0.4464286 -0.4464286 0.5000000), wk = 0.0037736 k( 125) = ( 0.4642857 -0.4642857 0.5000000), wk = 0.0037736 k( 126) = ( 0.4821429 -0.4821429 0.5000000), wk = 0.0037736 k( 127) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0037736 k( 128) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0037736 k( 129) = ( 0.5105469 -0.4894531 0.5075706), wk = 0.0037736 k( 130) = ( 0.5210937 -0.4789063 0.5151411), wk = 0.0037736 k( 131) = ( 0.5316406 -0.4683594 0.5227117), wk = 0.0037736 k( 132) = ( 0.5421875 -0.4578125 0.5302822), wk = 0.0037736 k( 133) = ( 0.5527343 -0.4472657 0.5378528), wk = 0.0037736 k( 134) = ( 0.5632812 -0.4367188 0.5454234), wk = 0.0037736 k( 135) = ( 0.5738280 -0.4261720 0.5529939), wk = 0.0037736 k( 136) = ( 0.5843749 -0.4156251 0.5605645), wk = 0.0037736 k( 137) = ( 0.5949218 -0.4050782 0.5681350), wk = 0.0037736 k( 138) = ( 0.6054686 -0.3945314 0.5757056), wk = 0.0037736 k( 139) = ( 0.6160155 -0.3839845 0.5832762), wk = 0.0037736 k( 140) = ( 0.7158672 -0.2841329 0.2960488), wk = 0.0037736 k( 141) = ( 0.7125388 -0.2874612 0.2722897), wk = 0.0037736 k( 142) = ( 0.7092104 -0.2907896 0.2485306), wk = 0.0037736 k( 143) = ( 0.7058820 -0.2941180 0.2247715), wk = 0.0037736 k( 144) = ( 0.7025536 -0.2974464 0.2010125), wk = 0.0037736 k( 145) = ( 0.6992252 -0.3007748 0.1772534), wk = 0.0037736 k( 146) = ( 0.6958968 -0.3041032 0.1534943), wk = 0.0037736 k( 147) = ( 0.6925684 -0.3074316 0.1297352), wk = 0.0037736 k( 148) = ( 0.6892400 -0.3107600 0.1059761), wk = 0.0037736 k( 149) = ( 0.6859116 -0.3140884 0.0822170), wk = 0.0037736 k( 150) = ( 0.6825833 -0.3174167 0.0584579), wk = 0.0037736 k( 151) = ( 0.6792549 -0.3207451 0.0346988), wk = 0.0037736 k( 152) = ( 0.6759265 -0.3240735 0.0109398), wk = 0.0037736 k( 153) = ( 0.6725981 -0.3274019 -0.0128193), wk = 0.0037736 k( 154) = ( 0.6692697 -0.3307303 -0.0365784), wk = 0.0037736 k( 155) = ( 0.6659413 -0.3340587 -0.0603375), wk = 0.0037736 k( 156) = ( 0.6659413 -0.3340587 -0.0603375), wk = 0.0037736 k( 157) = ( 0.6567224 -0.3432776 -0.0569854), wk = 0.0037736 k( 158) = ( 0.6475034 -0.3524966 -0.0536333), wk = 0.0037736 k( 159) = ( 0.6382844 -0.3617156 -0.0502813), wk = 0.0037736 k( 160) = ( 0.6290655 -0.3709345 -0.0469292), wk = 0.0037736 k( 161) = ( 0.6198465 -0.3801535 -0.0435771), wk = 0.0037736 k( 162) = ( 0.6106276 -0.3893724 -0.0402250), wk = 0.0037736 k( 163) = ( 0.6014086 -0.3985914 -0.0368729), wk = 0.0037736 k( 164) = ( 0.5921896 -0.4078104 -0.0335208), wk = 0.0037736 k( 165) = ( 0.5829707 -0.4170293 -0.0301688), wk = 0.0037736 k( 166) = ( 0.5737517 -0.4262483 -0.0268167), wk = 0.0037736 k( 167) = ( 0.5645327 -0.4354673 -0.0234646), wk = 0.0037736 k( 168) = ( 0.5553138 -0.4446862 -0.0201125), wk = 0.0037736 k( 169) = ( 0.5460948 -0.4539052 -0.0167604), wk = 0.0037736 k( 170) = ( 0.5368759 -0.4631242 -0.0134083), wk = 0.0037736 k( 171) = ( 0.5276569 -0.4723431 -0.0100562), wk = 0.0037736 k( 172) = ( 0.5184379 -0.4815621 -0.0067042), wk = 0.0037736 k( 173) = ( 0.5092190 -0.4907810 -0.0033521), wk = 0.0037736 k( 174) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0037736 k( 175) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0037736 k( 176) = ( 0.4821429 -0.4821429 -0.0000000), wk = 0.0037736 k( 177) = ( 0.4642857 -0.4642857 0.0000000), wk = 0.0037736 k( 178) = ( 0.4464286 -0.4464286 -0.0000000), wk = 0.0037736 k( 179) = ( 0.4285714 -0.4285714 0.0000000), wk = 0.0037736 k( 180) = ( 0.4107143 -0.4107143 0.0000000), wk = 0.0037736 k( 181) = ( 0.3928571 -0.3928571 0.0000000), wk = 0.0037736 k( 182) = ( 0.3750000 -0.3750000 -0.0000000), wk = 0.0037736 k( 183) = ( 0.3571429 -0.3571429 -0.0000000), wk = 0.0037736 k( 184) = ( 0.3392857 -0.3392857 -0.0000000), wk = 0.0037736 k( 185) = ( 0.3214286 -0.3214286 -0.0000000), wk = 0.0037736 k( 186) = ( 0.3035714 -0.3035714 0.0000000), wk = 0.0037736 k( 187) = ( 0.2857143 -0.2857143 0.0000000), wk = 0.0037736 k( 188) = ( 0.2678571 -0.2678571 -0.0000000), wk = 0.0037736 k( 189) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0037736 k( 190) = ( 0.2321429 -0.2321429 0.0000000), wk = 0.0037736 k( 191) = ( 0.2142857 -0.2142857 -0.0000000), wk = 0.0037736 k( 192) = ( 0.1964286 -0.1964286 0.0000000), wk = 0.0037736 k( 193) = ( 0.1785714 -0.1785714 -0.0000000), wk = 0.0037736 k( 194) = ( 0.1607143 -0.1607143 -0.0000000), wk = 0.0037736 k( 195) = ( 0.1428571 -0.1428571 -0.0000000), wk = 0.0037736 k( 196) = ( 0.1250000 -0.1250000 0.0000000), wk = 0.0037736 k( 197) = ( 0.1071429 -0.1071429 0.0000000), wk = 0.0037736 k( 198) = ( 0.0892857 -0.0892857 -0.0000000), wk = 0.0037736 k( 199) = ( 0.0714286 -0.0714286 -0.0000000), wk = 0.0037736 k( 200) = ( 0.0535714 -0.0535714 0.0000000), wk = 0.0037736 k( 201) = ( 0.0357143 -0.0357143 0.0000000), wk = 0.0037736 k( 202) = ( 0.0178571 -0.0178571 0.0000000), wk = 0.0037736 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 205) = ( 0.0172414 -0.0000000 -0.0000000), wk = 0.0037736 k( 206) = ( 0.0344828 -0.0000000 -0.0000000), wk = 0.0037736 k( 207) = ( 0.0517241 -0.0000000 -0.0000000), wk = 0.0037736 k( 208) = ( 0.0689655 -0.0000000 -0.0000000), wk = 0.0037736 k( 209) = ( 0.0862069 -0.0000000 -0.0000000), wk = 0.0037736 k( 210) = ( 0.1034483 -0.0000000 -0.0000000), wk = 0.0037736 k( 211) = ( 0.1206897 -0.0000000 -0.0000000), wk = 0.0037736 k( 212) = ( 0.1379310 -0.0000000 -0.0000000), wk = 0.0037736 k( 213) = ( 0.1551724 -0.0000000 -0.0000000), wk = 0.0037736 k( 214) = ( 0.1724138 -0.0000000 -0.0000000), wk = 0.0037736 k( 215) = ( 0.1896552 -0.0000000 -0.0000000), wk = 0.0037736 k( 216) = ( 0.2068966 -0.0000000 -0.0000000), wk = 0.0037736 k( 217) = ( 0.2241379 -0.0000000 -0.0000000), wk = 0.0037736 k( 218) = ( 0.2413793 -0.0000000 -0.0000000), wk = 0.0037736 k( 219) = ( 0.2586207 -0.0000000 -0.0000000), wk = 0.0037736 k( 220) = ( 0.2758621 -0.0000000 -0.0000000), wk = 0.0037736 k( 221) = ( 0.2931034 0.0000000 -0.0000000), wk = 0.0037736 k( 222) = ( 0.3103448 -0.0000000 -0.0000000), wk = 0.0037736 k( 223) = ( 0.3275862 -0.0000000 -0.0000000), wk = 0.0037736 k( 224) = ( 0.3448276 -0.0000000 -0.0000000), wk = 0.0037736 k( 225) = ( 0.3620690 -0.0000000 -0.0000000), wk = 0.0037736 k( 226) = ( 0.3793103 -0.0000000 -0.0000000), wk = 0.0037736 k( 227) = ( 0.3965517 -0.0000000 -0.0000000), wk = 0.0037736 k( 228) = ( 0.4137931 -0.0000000 -0.0000000), wk = 0.0037736 k( 229) = ( 0.4310345 -0.0000000 -0.0000000), wk = 0.0037736 k( 230) = ( 0.4482759 -0.0000000 -0.0000000), wk = 0.0037736 k( 231) = ( 0.4655172 -0.0000000 -0.0000000), wk = 0.0037736 k( 232) = ( 0.4827586 -0.0000000 -0.0000000), wk = 0.0037736 k( 233) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0037736 k( 234) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037736 k( 235) = ( 0.4838710 -0.0000000 0.4838710), wk = 0.0037736 k( 236) = ( 0.4677419 -0.0000000 0.4677419), wk = 0.0037736 k( 237) = ( 0.4516129 -0.0000000 0.4516129), wk = 0.0037736 k( 238) = ( 0.4354839 0.0000000 0.4354839), wk = 0.0037736 k( 239) = ( 0.4193548 -0.0000000 0.4193548), wk = 0.0037736 k( 240) = ( 0.4032258 -0.0000000 0.4032258), wk = 0.0037736 k( 241) = ( 0.3870968 -0.0000000 0.3870968), wk = 0.0037736 k( 242) = ( 0.3709677 -0.0000000 0.3709677), wk = 0.0037736 k( 243) = ( 0.3548387 -0.0000000 0.3548387), wk = 0.0037736 k( 244) = ( 0.3387097 -0.0000000 0.3387097), wk = 0.0037736 k( 245) = ( 0.3225807 -0.0000000 0.3225807), wk = 0.0037736 k( 246) = ( 0.3064516 0.0000000 0.3064516), wk = 0.0037736 k( 247) = ( 0.2903226 -0.0000000 0.2903226), wk = 0.0037736 k( 248) = ( 0.2741936 -0.0000000 0.2741936), wk = 0.0037736 k( 249) = ( 0.2580645 -0.0000000 0.2580645), wk = 0.0037736 k( 250) = ( 0.2419355 -0.0000000 0.2419355), wk = 0.0037736 k( 251) = ( 0.2258064 -0.0000000 0.2258064), wk = 0.0037736 k( 252) = ( 0.2096774 -0.0000000 0.2096774), wk = 0.0037736 k( 253) = ( 0.1935484 -0.0000000 0.1935484), wk = 0.0037736 k( 254) = ( 0.1774194 -0.0000000 0.1774194), wk = 0.0037736 k( 255) = ( 0.1612903 -0.0000000 0.1612903), wk = 0.0037736 k( 256) = ( 0.1451613 -0.0000000 0.1451613), wk = 0.0037736 k( 257) = ( 0.1290323 -0.0000000 0.1290323), wk = 0.0037736 k( 258) = ( 0.1129032 -0.0000000 0.1129032), wk = 0.0037736 k( 259) = ( 0.0967742 -0.0000000 0.0967742), wk = 0.0037736 k( 260) = ( 0.0806452 -0.0000000 0.0806452), wk = 0.0037736 k( 261) = ( 0.0645161 -0.0000000 0.0645161), wk = 0.0037736 k( 262) = ( 0.0483871 -0.0000000 0.0483871), wk = 0.0037736 k( 263) = ( 0.0322581 -0.0000000 0.0322581), wk = 0.0037736 k( 264) = ( 0.0161290 -0.0000000 0.0161290), wk = 0.0037736 k( 265) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 Dense grid: 117229 G-vectors FFT dimensions: ( 64, 64, 72) Smooth grid: 86999 G-vectors FFT dimensions: ( 60, 60, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 318, 60) NL pseudopotentials 0.37 Mb ( 159, 152) Each V/rho on FFT grid 0.06 Mb ( 4096) Each G-vector array 0.01 Mb ( 1628) G-vector shells 0.01 Mb ( 1549) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.16 Mb ( 318, 240) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.28 Mb ( 152, 2, 60) The potential is recalculated from file : ./SiBr3.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.8 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 total cpu time spent up to now is 8.0 secs Computing kpt #: 6 total cpu time spent up to now is 9.1 secs Computing kpt #: 7 total cpu time spent up to now is 10.2 secs Computing kpt #: 8 total cpu time spent up to now is 11.3 secs Computing kpt #: 9 total cpu time spent up to now is 12.4 secs Computing kpt #: 10 total cpu time spent up to now is 13.5 secs Computing kpt #: 11 total cpu time spent up to now is 14.7 secs Computing kpt #: 12 total cpu time spent up to now is 15.7 secs Computing kpt #: 13 total cpu time spent up to now is 16.7 secs Computing kpt #: 14 total cpu time spent up to now is 17.8 secs Computing kpt #: 15 total cpu time spent up to now is 18.8 secs Computing kpt #: 16 total cpu time spent up to now is 19.8 secs Computing kpt #: 17 total cpu time spent up to now is 20.9 secs Computing kpt #: 18 total cpu time spent up to now is 21.9 secs Computing kpt #: 19 total cpu time spent up to now is 23.0 secs Computing kpt #: 20 total cpu time spent up to now is 24.0 secs Computing kpt #: 21 total cpu time spent up to now is 25.0 secs Computing kpt #: 22 total cpu time spent up to now is 26.1 secs Computing kpt #: 23 total cpu time spent up to now is 27.3 secs Computing kpt #: 24 total cpu time spent up to now is 28.5 secs Computing kpt #: 25 total cpu time spent up to now is 29.7 secs Computing kpt #: 26 total cpu time spent up to now is 30.8 secs Computing kpt #: 27 total cpu time spent up to now is 31.9 secs Computing kpt #: 28 total cpu time spent up to now is 33.1 secs Computing kpt #: 29 total cpu time spent up to now is 34.3 secs Computing kpt #: 30 total cpu time spent up to now is 35.6 secs Computing kpt #: 31 total cpu time spent up to now is 36.9 secs Computing kpt #: 32 total cpu time spent up to now is 38.1 secs Computing kpt #: 33 total cpu time spent up to now is 39.2 secs Computing kpt #: 34 total cpu time spent up to now is 40.4 secs Computing kpt #: 35 total cpu time spent up to now is 41.6 secs Computing kpt #: 36 total cpu time spent up to now is 42.7 secs Computing kpt #: 37 total cpu time spent up to now is 44.0 secs Computing kpt #: 38 total cpu time spent up to now is 45.1 secs Computing kpt #: 39 total cpu time spent up to now is 46.4 secs Computing kpt #: 40 total cpu time spent up to now is 47.7 secs Computing kpt #: 41 total cpu time spent up to now is 49.0 secs Computing kpt #: 42 total cpu time spent up to now is 50.4 secs Computing kpt #: 43 total cpu time spent up to now is 51.8 secs Computing kpt #: 44 total cpu time spent up to now is 53.0 secs Computing kpt #: 45 total cpu time spent up to now is 54.3 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spent up to now is 73.9 secs Computing kpt #: 62 total cpu time spent up to now is 75.2 secs Computing kpt #: 63 total cpu time spent up to now is 76.4 secs Computing kpt #: 64 total cpu time spent up to now is 77.7 secs Computing kpt #: 65 total cpu time spent up to now is 79.0 secs Computing kpt #: 66 total cpu time spent up to now is 80.3 secs Computing kpt #: 67 total cpu time spent up to now is 81.4 secs Computing kpt #: 68 total cpu time spent up to now is 82.6 secs Computing kpt #: 69 total cpu time spent up to now is 83.8 secs Computing kpt #: 70 total cpu time spent up to now is 85.1 secs Computing kpt #: 71 total cpu time spent up to now is 86.2 secs Computing kpt #: 72 total cpu time spent up to now is 87.4 secs Computing kpt #: 73 total cpu time spent up to now is 88.4 secs Computing kpt #: 74 total cpu time spent up to now is 89.6 secs Computing kpt #: 75 total cpu time spent up to now is 91.1 secs Computing kpt #: 76 total cpu time spent up to now is 92.4 secs Computing 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up to now is 112.6 secs Computing kpt #: 93 total cpu time spent up to now is 113.8 secs Computing kpt #: 94 total cpu time spent up to now is 115.0 secs Computing kpt #: 95 total cpu time spent up to now is 116.2 secs Computing kpt #: 96 total cpu time spent up to now is 117.4 secs Computing kpt #: 97 total cpu time spent up to now is 118.7 secs Computing kpt #: 98 total cpu time spent up to now is 120.0 secs Computing kpt #: 99 total cpu time spent up to now is 121.3 secs Computing kpt #: 100 total cpu time spent up to now is 122.6 secs Computing kpt #: 101 total cpu time spent up to now is 123.8 secs Computing kpt #: 102 total cpu time spent up to now is 125.0 secs Computing kpt #: 103 total cpu time spent up to now is 126.2 secs Computing kpt #: 104 total cpu time spent up to now is 127.4 secs Computing kpt #: 105 total cpu time spent up to now is 128.6 secs Computing kpt #: 106 total cpu time spent up to now is 129.8 secs Computing kpt #: 107 total cpu time spent up to now is 131.0 secs Computing kpt #: 108 total cpu time spent up to now is 132.3 secs Computing kpt #: 109 total cpu time spent up to now is 133.5 secs Computing kpt #: 110 total cpu time spent up to now is 134.8 secs Computing kpt #: 111 total cpu time spent up to now is 136.1 secs Computing kpt #: 112 total cpu time spent up to now is 137.2 secs Computing kpt #: 113 total cpu time spent up to now is 138.3 secs Computing kpt #: 114 total cpu time spent up to now is 139.5 secs Computing kpt #: 115 total cpu time spent up to now is 141.0 secs Computing kpt #: 116 total cpu time spent up to now is 142.2 secs Computing kpt #: 117 total cpu time spent up to now is 143.6 secs Computing kpt #: 118 total cpu time spent up to now is 144.9 secs Computing kpt #: 119 total cpu time spent up to now is 146.2 secs Computing kpt #: 120 total cpu time spent up to now is 147.8 secs Computing kpt #: 121 total cpu time spent up to now is 149.1 secs Computing kpt #: 122 total cpu time spent up to now is 150.4 secs Computing kpt #: 123 total cpu time spent up to now is 151.8 secs Computing kpt #: 124 total cpu time spent up to now is 153.1 secs Computing kpt #: 125 total cpu time spent up to now is 154.5 secs Computing kpt #: 126 total cpu time spent up to now is 156.1 secs Computing kpt #: 127 total cpu time spent up to now is 157.7 secs Computing kpt #: 128 total cpu time spent up to now is 159.1 secs Computing kpt #: 129 total cpu time spent up to now is 160.5 secs Computing kpt #: 130 total cpu time spent up to now is 161.8 secs Computing kpt #: 131 total cpu time spent up to now is 163.1 secs Computing kpt #: 132 total cpu time spent up to now is 164.7 secs Computing kpt #: 133 total cpu time spent up to now is 166.2 secs Computing kpt #: 134 total cpu time spent up to now is 167.5 secs Computing kpt #: 135 total cpu time spent up to now is 168.8 secs Computing kpt #: 136 total cpu time spent up to now is 169.9 secs Computing kpt #: 137 total cpu time spent up to now is 171.2 secs Computing kpt #: 138 total cpu time spent up to now is 172.3 secs Computing kpt #: 139 total cpu time spent up to now is 173.6 secs Computing kpt #: 140 total cpu time spent up to now is 174.7 secs Computing kpt #: 141 total cpu time spent up to now is 176.0 secs Computing kpt #: 142 total cpu time spent up to now is 177.1 secs Computing kpt #: 143 total cpu time spent up to now is 178.2 secs Computing kpt #: 144 total cpu time spent up to now is 179.4 secs Computing kpt #: 145 total cpu time spent up to now is 180.5 secs Computing kpt #: 146 total cpu time spent up to now is 181.6 secs Computing kpt #: 147 total cpu time spent up to now is 182.7 secs Computing kpt #: 148 total cpu time spent up to now is 183.9 secs Computing kpt #: 149 total cpu time spent up to now is 185.0 secs Computing kpt #: 150 total cpu time spent up to now is 186.2 secs Computing kpt #: 151 total cpu time spent up to now is 187.3 secs Computing kpt #: 152 total cpu time spent up to now is 188.4 secs Computing kpt #: 153 total cpu time spent up to now is 189.5 secs Computing kpt #: 154 total cpu time spent up to now is 190.6 secs Computing kpt #: 155 total cpu time spent up to now is 191.8 secs Computing kpt #: 156 total cpu time spent up to now is 193.0 secs Computing kpt #: 157 total cpu time spent up to now is 194.2 secs Computing kpt #: 158 total cpu time spent up to now is 195.5 secs Computing kpt #: 159 total cpu time spent up to now is 196.6 secs Computing kpt #: 160 total cpu time spent up to now is 197.8 secs Computing kpt #: 161 total cpu time spent up to now is 199.0 secs Computing kpt #: 162 total cpu time spent up to now is 200.2 secs Computing kpt #: 163 total cpu time spent up to now is 201.3 secs Computing kpt #: 164 total cpu time spent up to now is 202.6 secs Computing kpt #: 165 total cpu time spent up to now is 203.7 secs Computing kpt #: 166 total cpu time spent up to now is 205.0 secs Computing kpt #: 167 total cpu time spent up to now is 206.1 secs Computing kpt #: 168 total cpu 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up to now is 225.5 secs Computing kpt #: 184 total cpu time spent up to now is 226.8 secs Computing kpt #: 185 total cpu time spent up to now is 228.1 secs Computing kpt #: 186 total cpu time spent up to now is 229.3 secs Computing kpt #: 187 total cpu time spent up to now is 230.6 secs Computing kpt #: 188 total cpu time spent up to now is 231.8 secs Computing kpt #: 189 total cpu time spent up to now is 233.2 secs Computing kpt #: 190 total cpu time spent up to now is 234.6 secs Computing kpt #: 191 total cpu time spent up to now is 235.8 secs Computing kpt #: 192 total cpu time spent up to now is 237.1 secs Computing kpt #: 193 total cpu time spent up to now is 238.5 secs Computing kpt #: 194 total cpu time spent up to now is 239.8 secs Computing kpt #: 195 total cpu time spent up to now is 241.2 secs Computing kpt #: 196 total cpu time spent up to now is 242.7 secs Computing kpt #: 197 total cpu time spent up to now is 244.2 secs Computing kpt #: 198 total cpu time spent up to now is 245.5 secs Computing kpt #: 199 total cpu time spent up to now is 246.7 secs Computing kpt #: 200 total cpu time spent up to now is 248.0 secs Computing kpt #: 201 total cpu time spent up to now is 249.3 secs Computing kpt #: 202 total cpu time spent up to now is 250.5 secs Computing kpt #: 203 total cpu time spent up to now is 251.5 secs Computing kpt #: 204 total cpu time spent up to now is 252.5 secs Computing kpt #: 205 total cpu time spent up to now is 253.9 secs Computing kpt #: 206 total cpu time spent up to now is 255.1 secs Computing kpt #: 207 total cpu time spent up to now is 256.1 secs Computing kpt #: 208 total cpu time spent up to now is 257.2 secs Computing kpt #: 209 total cpu time spent up to now is 258.4 secs Computing kpt #: 210 total cpu time spent up to now is 259.6 secs Computing kpt #: 211 total cpu time spent up to now is 260.8 secs Computing kpt #: 212 total cpu time spent up to now is 262.0 secs Computing kpt #: 213 total cpu time spent up to now is 263.2 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Computing kpt #: 229 total cpu time spent up to now is 281.6 secs Computing kpt #: 230 total cpu time spent up to now is 282.7 secs Computing kpt #: 231 total cpu time spent up to now is 283.8 secs Computing kpt #: 232 total cpu time spent up to now is 284.8 secs Computing kpt #: 233 total cpu time spent up to now is 285.8 secs Computing kpt #: 234 total cpu time spent up to now is 287.1 secs Computing kpt #: 235 total cpu time spent up to now is 288.3 secs Computing kpt #: 236 total cpu time spent up to now is 289.5 secs Computing kpt #: 237 total cpu time spent up to now is 290.7 secs Computing kpt #: 238 total cpu time spent up to now is 291.9 secs Computing kpt #: 239 total cpu time spent up to now is 293.2 secs Computing kpt #: 240 total cpu time spent up to now is 294.5 secs Computing kpt #: 241 total cpu time spent up to now is 296.0 secs Computing kpt #: 242 total cpu time spent up to now is 297.6 secs Computing kpt #: 243 total cpu time spent up to now is 298.9 secs Computing kpt #: 244 total cpu time spent up to now is 300.0 secs Computing kpt #: 245 total cpu time spent up to now is 301.2 secs Computing kpt #: 246 total cpu time spent up to now is 302.3 secs Computing kpt #: 247 total cpu time spent up to now is 303.5 secs Computing kpt #: 248 total cpu time spent up to now is 304.6 secs Computing kpt #: 249 total cpu time spent up to now is 305.8 secs Computing kpt #: 250 total cpu time spent up to now is 306.9 secs Computing kpt #: 251 total cpu time spent up to now is 308.0 secs Computing kpt #: 252 total cpu time spent up to now is 309.0 secs Computing kpt #: 253 total cpu time spent up to now is 310.2 secs Computing kpt #: 254 total cpu time spent up to now is 311.3 secs Computing kpt #: 255 total cpu time spent up to now is 312.6 secs Computing kpt #: 256 total cpu time spent up to now is 313.6 secs Computing kpt #: 257 total cpu time spent up to now is 314.7 secs Computing kpt #: 258 total cpu time spent up to now is 315.7 secs Computing kpt #: 259 total cpu time spent up to now is 316.9 secs Computing kpt #: 260 total cpu time spent up to now is 318.0 secs Computing kpt #: 261 total cpu time spent up to now is 319.2 secs Computing kpt #: 262 total cpu time spent up to now is 320.4 secs Computing kpt #: 263 total cpu time spent up to now is 321.6 secs Computing kpt #: 264 total cpu time spent up to now is 322.8 secs Computing kpt #: 265 total cpu time spent up to now is 323.8 secs ethr = 2.00E-08, avg # of iterations = 20.4 total cpu time spent up to now is 323.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10883 PWs) bands (ev): -13.7801 -13.7801 -13.4630 -13.4630 -12.7802 -12.7802 -12.7630 -12.7630 -12.7354 -12.7354 -12.7238 -12.7238 -6.6696 -6.6696 -5.1075 -5.1075 -2.9628 -2.9628 -2.8119 -2.8119 -2.6663 -2.6663 -2.5872 -2.5872 -2.3675 -2.3675 -0.6300 -0.6300 -0.5983 -0.5983 -0.4899 -0.4899 -0.4398 -0.4398 -0.2064 -0.2064 -0.1610 -0.1610 -0.1123 -0.1123 0.0876 0.0876 0.2509 0.2509 0.3846 0.3846 0.4445 0.4445 0.5422 0.5422 5.3669 5.3669 5.5705 5.5705 5.7707 5.7707 5.8455 5.8455 7.4325 7.4326 k = 0.0101 0.0175-0.0050 ( 10882 PWs) bands (ev): -13.7798 -13.7798 -13.4628 -13.4628 -12.7802 -12.7802 -12.7633 -12.7633 -12.7356 -12.7356 -12.7240 -12.7240 -6.6693 -6.6693 -5.1075 -5.1075 -2.9624 -2.9624 -2.8115 -2.8115 -2.6658 -2.6658 -2.5863 -2.5863 -2.3676 -2.3676 -0.6416 -0.6416 -0.5867 -0.5867 -0.4931 -0.4931 -0.4380 -0.4380 -0.2113 -0.2113 -0.1599 -0.1599 -0.1086 -0.1086 0.0891 0.0891 0.2496 0.2496 0.3841 0.3841 0.4431 0.4431 0.5414 0.5414 5.3681 5.3681 5.5716 5.5716 5.7708 5.7708 5.8483 5.8483 7.4151 7.4151 k = 0.0202 0.0349-0.0101 ( 10871 PWs) bands (ev): -13.7788 -13.7788 -13.4623 -13.4623 -12.7803 -12.7803 -12.7645 -12.7645 -12.7361 -12.7361 -12.7244 -12.7244 -6.6682 -6.6682 -5.1074 -5.1074 -2.9610 -2.9610 -2.8101 -2.8101 -2.6643 -2.6643 -2.5834 -2.5834 -2.3680 -2.3680 -0.6613 -0.6613 -0.5679 -0.5679 -0.5004 -0.5004 -0.4342 -0.4342 -0.2230 -0.2230 -0.1588 -0.1588 -0.0983 -0.0983 0.0936 0.0936 0.2454 0.2454 0.3827 0.3827 0.4392 0.4392 0.5388 0.5388 5.3714 5.3714 5.5750 5.5750 5.7710 5.7710 5.8564 5.8564 7.3970 7.3970 k = 0.0304 0.0524-0.0151 ( 10869 PWs) bands (ev): -13.7772 -13.7772 -13.4614 -13.4614 -12.7805 -12.7805 -12.7663 -12.7663 -12.7370 -12.7370 -12.7252 -12.7252 -6.6664 -6.6664 -5.1074 -5.1074 -2.9589 -2.9589 -2.8078 -2.8078 -2.6618 -2.6618 -2.5789 -2.5789 -2.3685 -2.3685 -0.6819 -0.6819 -0.5536 -0.5536 -0.5052 -0.5052 -0.4307 -0.4307 -0.2374 -0.2374 -0.1594 -0.1594 -0.0834 -0.0834 0.1005 0.1005 0.2380 0.2380 0.3807 0.3807 0.4331 0.4331 0.5347 0.5347 5.3767 5.3767 5.5805 5.5805 5.7710 5.7710 5.8698 5.8698 7.3789 7.3789 k = 0.0405 0.0698-0.0202 ( 10854 PWs) bands (ev): -13.7749 -13.7749 -13.4602 -13.4602 -12.7807 -12.7807 -12.7689 -12.7689 -12.7382 -12.7382 -12.7262 -12.7262 -6.6639 -6.6639 -5.1073 -5.1073 -2.9558 -2.9558 -2.8045 -2.8045 -2.6585 -2.6585 -2.5727 -2.5727 -2.3688 -2.3688 -0.7023 -0.7023 -0.5542 -0.5542 -0.4971 -0.4971 -0.4287 -0.4287 -0.2522 -0.2522 -0.1612 -0.1612 -0.0660 -0.0660 0.1090 0.1090 0.2270 0.2270 0.3787 0.3787 0.4254 0.4254 0.5293 0.5293 5.3838 5.3838 5.5881 5.5881 5.7709 5.7709 5.8880 5.8880 7.3612 7.3612 k = 0.0506 0.0873-0.0252 ( 10852 PWs) bands (ev): -13.7720 -13.7720 -13.4587 -13.4587 -12.7810 -12.7810 -12.7722 -12.7722 -12.7398 -12.7398 -12.7275 -12.7275 -6.6608 -6.6608 -5.1073 -5.1073 -2.9519 -2.9519 -2.8004 -2.8004 -2.6544 -2.6544 -2.5654 -2.5654 -2.3686 -2.3686 -0.7222 -0.7222 -0.5672 -0.5672 -0.4792 -0.4792 -0.4287 -0.4287 -0.2661 -0.2661 -0.1638 -0.1638 -0.0473 -0.0473 0.1184 0.1184 0.2120 0.2120 0.3774 0.3774 0.4168 0.4168 0.5229 0.5229 5.3922 5.3922 5.5977 5.5977 5.7705 5.7705 5.9104 5.9104 7.3439 7.3439 k = 0.0607 0.1047-0.0303 ( 10845 PWs) bands (ev): -13.7685 -13.7685 -13.4569 -13.4569 -12.7814 -12.7814 -12.7761 -12.7761 -12.7417 -12.7417 -12.7291 -12.7291 -6.6570 -6.6570 -5.1071 -5.1071 -2.9472 -2.9472 -2.7953 -2.7953 -2.6497 -2.6497 -2.5573 -2.5573 -2.3675 -2.3675 -0.7415 -0.7415 -0.5847 -0.5847 -0.4613 -0.4613 -0.4291 -0.4291 -0.2783 -0.2783 -0.1667 -0.1667 -0.0280 -0.0280 0.1277 0.1277 0.1927 0.1927 0.3771 0.3771 0.4082 0.4082 0.5159 0.5159 5.4013 5.4013 5.6091 5.6091 5.7698 5.7698 5.9360 5.9360 7.3271 7.3271 k = 0.0709 0.1222-0.0353 ( 10850 PWs) bands (ev): -13.7645 -13.7645 -13.4548 -13.4548 -12.7819 -12.7819 -12.7806 -12.7806 -12.7439 -12.7439 -12.7309 -12.7309 -6.6526 -6.6526 -5.1070 -5.1070 -2.9418 -2.9418 -2.7895 -2.7895 -2.6444 -2.6444 -2.5490 -2.5490 -2.3649 -2.3649 -0.7603 -0.7603 -0.6043 -0.6043 -0.4536 -0.4536 -0.4232 -0.4232 -0.2879 -0.2879 -0.1698 -0.1698 -0.0087 -0.0087 0.1364 0.1364 0.1694 0.1694 0.3769 0.3769 0.4013 0.4013 0.5087 0.5087 5.4105 5.4105 5.6222 5.6222 5.7689 5.7689 5.9638 5.9638 7.3108 7.3108 k = 0.0810 0.1397-0.0404 ( 10856 PWs) bands (ev): -13.7599 -13.7599 -13.4524 -13.4524 -12.7859 -12.7859 -12.7824 -12.7824 -12.7464 -12.7464 -12.7329 -12.7329 -6.6477 -6.6477 -5.1067 -5.1067 -2.9355 -2.9355 -2.7828 -2.7828 -2.6387 -2.6387 -2.5413 -2.5413 -2.3601 -2.3601 -0.7786 -0.7786 -0.6248 -0.6248 -0.4589 -0.4589 -0.4106 -0.4106 -0.2934 -0.2934 -0.1731 -0.1731 0.0099 0.0099 0.1420 0.1420 0.1451 0.1451 0.3744 0.3744 0.3996 0.3996 0.5018 0.5018 5.4192 5.4192 5.6366 5.6366 5.7678 5.7678 5.9927 5.9927 7.2952 7.2952 k = 0.0911 0.1571-0.0454 ( 10848 PWs) bands (ev): -13.7548 -13.7548 -13.4498 -13.4498 -12.7914 -12.7914 -12.7830 -12.7830 -12.7492 -12.7492 -12.7351 -12.7351 -6.6422 -6.6422 -5.1064 -5.1064 -2.9286 -2.9286 -2.7755 -2.7755 -2.6327 -2.6327 -2.5348 -2.5348 -2.3527 -2.3527 -0.7964 -0.7964 -0.6457 -0.6457 -0.4698 -0.4698 -0.4011 -0.4011 -0.2936 -0.2936 -0.1763 -0.1763 0.0263 0.0263 0.1149 0.1149 0.1512 0.1512 0.3682 0.3682 0.4043 0.4043 0.4957 0.4957 5.4266 5.4266 5.6523 5.6523 5.7668 5.7668 6.0212 6.0212 7.2803 7.2803 k = 0.1012 0.1746-0.0505 ( 10856 PWs) bands (ev): -13.7492 -13.7492 -13.4470 -13.4470 -12.7975 -12.7975 -12.7838 -12.7838 -12.7522 -12.7522 -12.7374 -12.7374 -6.6362 -6.6362 -5.1060 -5.1060 -2.9210 -2.9210 -2.7675 -2.7675 -2.6264 -2.6264 -2.5299 -2.5299 -2.3422 -2.3422 -0.8138 -0.8138 -0.6668 -0.6668 -0.4833 -0.4833 -0.3988 -0.3988 -0.2884 -0.2884 -0.1788 -0.1788 0.0354 0.0354 0.0914 0.0914 0.1571 0.1571 0.3609 0.3609 0.4130 0.4130 0.4910 0.4910 5.4318 5.4318 5.6687 5.6687 5.7661 5.7661 6.0481 6.0481 7.2663 7.2663 k = 0.1114 0.1920-0.0555 ( 10854 PWs) bands (ev): -13.7432 -13.7432 -13.4440 -13.4440 -12.8039 -12.8039 -12.7847 -12.7847 -12.7555 -12.7555 -12.7399 -12.7399 -6.6298 -6.6298 -5.1055 -5.1055 -2.9127 -2.9127 -2.7591 -2.7591 -2.6201 -2.6201 -2.5269 -2.5269 -2.3286 -2.3286 -0.8306 -0.8306 -0.6876 -0.6876 -0.4985 -0.4985 -0.4033 -0.4033 -0.2816 -0.2816 -0.1792 -0.1792 0.0246 0.0246 0.0857 0.0857 0.1625 0.1625 0.3544 0.3544 0.4236 0.4236 0.4882 0.4882 5.4343 5.4343 5.6852 5.6852 5.7661 5.7661 6.0723 6.0723 7.2534 7.2534 k = 0.1215 0.2095-0.0606 ( 10874 PWs) bands (ev): -13.7369 -13.7369 -13.4408 -13.4408 -12.8106 -12.8106 -12.7857 -12.7857 -12.7589 -12.7589 -12.7425 -12.7425 -6.6231 -6.6231 -5.1049 -5.1049 -2.9039 -2.9039 -2.7503 -2.7503 -2.6138 -2.6138 -2.5254 -2.5254 -2.3123 -2.3123 -0.8470 -0.8470 -0.7080 -0.7080 -0.5148 -0.5148 -0.4127 -0.4127 -0.2784 -0.2784 -0.1752 -0.1752 -0.0018 -0.0018 0.0942 0.0942 0.1673 0.1673 0.3499 0.3499 0.4345 0.4345 0.4883 0.4883 5.4334 5.4334 5.7010 5.7010 5.7674 5.7674 6.0925 6.0925 7.2418 7.2418 k = 0.1316 0.2270-0.0656 ( 10872 PWs) bands (ev): -13.7302 -13.7302 -13.4375 -13.4375 -12.8175 -12.8175 -12.7869 -12.7869 -12.7624 -12.7624 -12.7451 -12.7451 -6.6161 -6.6161 -5.1041 -5.1041 -2.8946 -2.8946 -2.7415 -2.7415 -2.6078 -2.6078 -2.5251 -2.5251 -2.2937 -2.2937 -0.8629 -0.8629 -0.7279 -0.7279 -0.5317 -0.5317 -0.4255 -0.4255 -0.2826 -0.2826 -0.1655 -0.1655 -0.0312 -0.0312 0.1049 0.1049 0.1716 0.1716 0.3483 0.3483 0.4444 0.4444 0.4922 0.4922 5.4287 5.4287 5.7147 5.7147 5.7714 5.7714 6.1080 6.1080 7.2313 7.2313 k = 0.1417 0.2444-0.0707 ( 10860 PWs) bands (ev): -13.7233 -13.7233 -13.4341 -13.4341 -12.8246 -12.8246 -12.7884 -12.7884 -12.7660 -12.7660 -12.7477 -12.7477 -6.6088 -6.6088 -5.1033 -5.1033 -2.8848 -2.8848 -2.7326 -2.7326 -2.6022 -2.6022 -2.5255 -2.5255 -2.2737 -2.2737 -0.8782 -0.8782 -0.7470 -0.7470 -0.5491 -0.5491 -0.4407 -0.4407 -0.2942 -0.2942 -0.1513 -0.1513 -0.0593 -0.0593 0.1142 0.1142 0.1752 0.1752 0.3505 0.3505 0.4525 0.4525 0.5004 0.5004 5.4200 5.4200 5.7243 5.7243 5.7795 5.7795 6.1181 6.1181 7.2215 7.2215 k = 0.1518 0.2619-0.0757 ( 10870 PWs) bands (ev): -13.7162 -13.7162 -13.4307 -13.4307 -12.8316 -12.8316 -12.7902 -12.7902 -12.7694 -12.7694 -12.7504 -12.7504 -6.6014 -6.6014 -5.1023 -5.1023 -2.8746 -2.8746 -2.7240 -2.7240 -2.5972 -2.5972 -2.5259 -2.5259 -2.2529 -2.2529 -0.8929 -0.8929 -0.7653 -0.7653 -0.5668 -0.5668 -0.4578 -0.4578 -0.3110 -0.3110 -0.1352 -0.1352 -0.0844 -0.0844 0.1206 0.1206 0.1783 0.1783 0.3570 0.3570 0.4595 0.4595 0.5119 0.5119 5.4074 5.4074 5.7292 5.7292 5.7920 5.7920 6.1228 6.1228 7.2118 7.2118 k = 0.1620 0.2793-0.0808 ( 10874 PWs) bands (ev): -13.7090 -13.7090 -13.4272 -13.4272 -12.8386 -12.8386 -12.7925 -12.7925 -12.7727 -12.7727 -12.7529 -12.7529 -6.5938 -6.5938 -5.1011 -5.1011 -2.8642 -2.8642 -2.7159 -2.7159 -2.5931 -2.5931 -2.5258 -2.5258 -2.2319 -2.2319 -0.9069 -0.9069 -0.7827 -0.7827 -0.5850 -0.5850 -0.4762 -0.4762 -0.3307 -0.3307 -0.1209 -0.1209 -0.1042 -0.1042 0.1231 0.1231 0.1817 0.1817 0.3674 0.3674 0.4664 0.4664 0.5253 0.5253 5.3911 5.3911 5.7303 5.7303 5.8074 5.8074 6.1222 6.1222 7.2013 7.2013 k = 0.1721 0.2968-0.0858 ( 10868 PWs) bands (ev): -13.7018 -13.7018 -13.4237 -13.4237 -12.8455 -12.8455 -12.7953 -12.7953 -12.7756 -12.7756 -12.7554 -12.7554 -6.5863 -6.5863 -5.0999 -5.0999 -2.8537 -2.8537 -2.7084 -2.7084 -2.5901 -2.5901 -2.5249 -2.5249 -2.2116 -2.2116 -0.9201 -0.9201 -0.7992 -0.7992 -0.6040 -0.6040 -0.4951 -0.4951 -0.3513 -0.3513 -0.1288 -0.1288 -0.0997 -0.0997 0.1213 0.1213 0.1861 0.1861 0.3813 0.3813 0.4743 0.4743 0.5395 0.5395 5.3717 5.3717 5.7287 5.7287 5.8241 5.8241 6.1167 6.1167 7.1894 7.1894 k = 0.1822 0.3142-0.0909 ( 10864 PWs) bands (ev): -13.6945 -13.6945 -13.4203 -13.4203 -12.8521 -12.8521 -12.7988 -12.7988 -12.7781 -12.7781 -12.7578 -12.7578 -6.5787 -6.5787 -5.0985 -5.0985 -2.8433 -2.8433 -2.7017 -2.7017 -2.5879 -2.5879 -2.5228 -2.5228 -2.1924 -2.1924 -0.9323 -0.9323 -0.8146 -0.8146 -0.6241 -0.6241 -0.5134 -0.5134 -0.3715 -0.3715 -0.1445 -0.1445 -0.0862 -0.0862 0.1155 0.1155 0.1918 0.1918 0.3978 0.3978 0.4835 0.4835 0.5537 0.5537 5.3495 5.3495 5.7252 5.7252 5.8411 5.8411 6.1070 6.1070 7.1757 7.1757 k = 0.1923 0.3317-0.0959 ( 10863 PWs) bands (ev): -13.6874 -13.6874 -13.4170 -13.4170 -12.8584 -12.8584 -12.8028 -12.8028 -12.7802 -12.7802 -12.7599 -12.7599 -6.5713 -6.5713 -5.0970 -5.0970 -2.8331 -2.8331 -2.6961 -2.6961 -2.5865 -2.5865 -2.5196 -2.5196 -2.1750 -2.1750 -0.9436 -0.9436 -0.8289 -0.8289 -0.6457 -0.6457 -0.5295 -0.5295 -0.3902 -0.3902 -0.1583 -0.1583 -0.0741 -0.0741 0.1068 0.1068 0.1984 0.1984 0.4159 0.4159 0.4940 0.4940 0.5676 0.5676 5.3253 5.3253 5.7199 5.7199 5.8574 5.8574 6.0939 6.0939 7.1606 7.1606 k = 0.2025 0.3492-0.1010 ( 10859 PWs) bands (ev): -13.6805 -13.6805 -13.4138 -13.4138 -12.8643 -12.8643 -12.8073 -12.8073 -12.7819 -12.7819 -12.7619 -12.7619 -6.5641 -6.5641 -5.0954 -5.0954 -2.8236 -2.8236 -2.6916 -2.6916 -2.5853 -2.5853 -2.5156 -2.5156 -2.1598 -2.1598 -0.9537 -0.9537 -0.8421 -0.8421 -0.6686 -0.6686 -0.5426 -0.5426 -0.4072 -0.4072 -0.1700 -0.1700 -0.0642 -0.0642 0.0963 0.0963 0.2053 0.2053 0.4349 0.4349 0.5058 0.5058 0.5810 0.5810 5.2997 5.2997 5.7132 5.7132 5.8728 5.8728 6.0782 6.0782 7.1444 7.1444 k = 0.2126 0.3666-0.1060 ( 10869 PWs) bands (ev): -13.6739 -13.6739 -13.4108 -13.4108 -12.8696 -12.8696 -12.8122 -12.8122 -12.7834 -12.7834 -12.7637 -12.7637 -6.5571 -6.5571 -5.0937 -5.0937 -2.8149 -2.8149 -2.6883 -2.6883 -2.5838 -2.5838 -2.5108 -2.5108 -2.1475 -2.1475 -0.9628 -0.9628 -0.8542 -0.8542 -0.6921 -0.6921 -0.5522 -0.5522 -0.4221 -0.4221 -0.1799 -0.1799 -0.0569 -0.0569 0.0850 0.0850 0.2122 0.2122 0.4541 0.4541 0.5187 0.5187 0.5936 0.5936 5.2734 5.2734 5.7050 5.7050 5.8868 5.8868 6.0604 6.0604 7.1278 7.1278 k = 0.2227 0.3841-0.1111 ( 10875 PWs) bands (ev): -13.6675 -13.6675 -13.4079 -13.4079 -12.8744 -12.8744 -12.8174 -12.8174 -12.7848 -12.7848 -12.7651 -12.7651 -6.5505 -6.5505 -5.0919 -5.0919 -2.8074 -2.8074 -2.6865 -2.6865 -2.5815 -2.5815 -2.5055 -2.5055 -2.1383 -2.1383 -0.9707 -0.9707 -0.8650 -0.8650 -0.7148 -0.7148 -0.5585 -0.5585 -0.4350 -0.4350 -0.1881 -0.1881 -0.0526 -0.0526 0.0738 0.0738 0.2189 0.2189 0.4729 0.4729 0.5324 0.5324 0.6054 0.6054 5.2470 5.2470 5.6956 5.6956 5.8991 5.8991 6.0414 6.0414 7.1111 7.1111 k = 0.2328 0.4015-0.1161 ( 10871 PWs) bands (ev): -13.6616 -13.6616 -13.4052 -13.4052 -12.8785 -12.8785 -12.8228 -12.8228 -12.7859 -12.7859 -12.7664 -12.7664 -6.5442 -6.5442 -5.0900 -5.0900 -2.8016 -2.8016 -2.6860 -2.6860 -2.5779 -2.5779 -2.4998 -2.4998 -2.1325 -2.1325 -0.9776 -0.9776 -0.8748 -0.8748 -0.7355 -0.7355 -0.5620 -0.5620 -0.4458 -0.4458 -0.1946 -0.1946 -0.0516 -0.0516 0.0637 0.0637 0.2253 0.2253 0.4907 0.4907 0.5465 0.5465 0.6163 0.6163 5.2212 5.2212 5.6851 5.6851 5.9094 5.9094 6.0216 6.0216 7.0950 7.0950 k = 0.2430 0.4190-0.1212 ( 10883 PWs) bands (ev): -13.6562 -13.6562 -13.4027 -13.4027 -12.8818 -12.8818 -12.8283 -12.8283 -12.7870 -12.7870 -12.7673 -12.7673 -6.5383 -6.5383 -5.0881 -5.0881 -2.7977 -2.7977 -2.6868 -2.6868 -2.5728 -2.5728 -2.4939 -2.4939 -2.1304 -2.1304 -0.9835 -0.9835 -0.8834 -0.8834 -0.7529 -0.7529 -0.5635 -0.5635 -0.4543 -0.4543 -0.1996 -0.1996 -0.0543 -0.0543 0.0555 0.0555 0.2311 0.2311 0.5071 0.5071 0.5607 0.5607 0.6265 0.6265 5.1965 5.1965 5.6739 5.6739 5.9174 5.9174 6.0016 6.0016 7.0796 7.0796 k = 0.2531 0.4364-0.1262 ( 10886 PWs) bands (ev): -13.6513 -13.6513 -13.4004 -13.4004 -12.8844 -12.8844 -12.8340 -12.8340 -12.7879 -12.7879 -12.7679 -12.7679 -6.5330 -6.5330 -5.0861 -5.0861 -2.7960 -2.7960 -2.6889 -2.6889 -2.5660 -2.5660 -2.4876 -2.4876 -2.1319 -2.1319 -0.9886 -0.9886 -0.8907 -0.8907 -0.7662 -0.7662 -0.5639 -0.5639 -0.4604 -0.4604 -0.2031 -0.2031 -0.0608 -0.0608 0.0495 0.0495 0.2363 0.2363 0.5218 0.5218 0.5746 0.5746 0.6361 0.6361 5.1734 5.1734 5.6621 5.6621 5.9227 5.9227 5.9820 5.9820 7.0651 7.0651 k = 0.2632 0.4539-0.1313 ( 10888 PWs) bands (ev): -13.6471 -13.6471 -13.3983 -13.3983 -12.8862 -12.8862 -12.8397 -12.8397 -12.7888 -12.7888 -12.7682 -12.7682 -6.5281 -6.5281 -5.0841 -5.0841 -2.7967 -2.7967 -2.6920 -2.6920 -2.5577 -2.5577 -2.4809 -2.4809 -2.1370 -2.1370 -0.9929 -0.9929 -0.8966 -0.8966 -0.7752 -0.7752 -0.5643 -0.5643 -0.4636 -0.4636 -0.2050 -0.2050 -0.0706 -0.0706 0.0458 0.0458 0.2409 0.2409 0.5344 0.5344 0.5878 0.5878 0.6451 0.6451 5.1526 5.1526 5.6499 5.6499 5.9247 5.9247 5.9637 5.9637 7.0518 7.0518 k = 0.2733 0.4714-0.1363 ( 10880 PWs) bands (ev): -13.6434 -13.6434 -13.3965 -13.3965 -12.8872 -12.8872 -12.8454 -12.8454 -12.7897 -12.7897 -12.7682 -12.7682 -6.5238 -6.5238 -5.0821 -5.0821 -2.7997 -2.7997 -2.6958 -2.6958 -2.5482 -2.5482 -2.4736 -2.4736 -2.1455 -2.1455 -0.9965 -0.9965 -0.9007 -0.9007 -0.7799 -0.7799 -0.5652 -0.5652 -0.4639 -0.4639 -0.2052 -0.2052 -0.0832 -0.0832 0.0440 0.0440 0.2448 0.2448 0.5448 0.5448 0.6000 0.6000 0.6537 0.6537 5.1343 5.1343 5.6375 5.6375 5.9219 5.9219 5.9484 5.9484 7.0396 7.0396 k = 0.2834 0.4888-0.1414 ( 10873 PWs) bands (ev): -13.6403 -13.6403 -13.3949 -13.3949 -12.8873 -12.8873 -12.8511 -12.8511 -12.7905 -12.7905 -12.7678 -12.7678 -6.5201 -6.5201 -5.0801 -5.0801 -2.8050 -2.8050 -2.7002 -2.7002 -2.5382 -2.5382 -2.4654 -2.4654 -2.1570 -2.1570 -0.9992 -0.9992 -0.9025 -0.9025 -0.7808 -0.7808 -0.5673 -0.5673 -0.4614 -0.4614 -0.2037 -0.2037 -0.0978 -0.0978 0.0434 0.0434 0.2479 0.2479 0.5529 0.5529 0.6108 0.6108 0.6622 0.6622 5.1190 5.1190 5.6249 5.6249 5.9125 5.9125 5.9384 5.9384 7.0285 7.0285 k = 0.2936 0.5063-0.1464 ( 10880 PWs) bands (ev): -13.6379 -13.6379 -13.3935 -13.3935 -12.8866 -12.8866 -12.8568 -12.8568 -12.7912 -12.7912 -12.7672 -12.7672 -6.5170 -6.5170 -5.0782 -5.0782 -2.8123 -2.8123 -2.7050 -2.7050 -2.5282 -2.5282 -2.4561 -2.4561 -2.1711 -2.1711 -1.0010 -1.0010 -0.9019 -0.9019 -0.7787 -0.7787 -0.5707 -0.5707 -0.4568 -0.4568 -0.2001 -0.2001 -0.1136 -0.1136 0.0438 0.0438 0.2501 0.2501 0.5586 0.5586 0.6199 0.6199 0.6707 0.6707 5.1070 5.1070 5.6122 5.6122 5.8993 5.8993 5.9312 5.9312 7.0185 7.0185 k = 0.3037 0.5237-0.1515 ( 10898 PWs) bands (ev): -13.6362 -13.6362 -13.3923 -13.3923 -12.8851 -12.8851 -12.8624 -12.8624 -12.7919 -12.7919 -12.7663 -12.7663 -6.5146 -6.5146 -5.0762 -5.0762 -2.8213 -2.8213 -2.7099 -2.7099 -2.5190 -2.5190 -2.4454 -2.4454 -2.1870 -2.1870 -1.0016 -1.0016 -0.8987 -0.8987 -0.7743 -0.7743 -0.5751 -0.5751 -0.4507 -0.4507 -0.1945 -0.1945 -0.1303 -0.1303 0.0446 0.0446 0.2515 0.2515 0.5620 0.5620 0.6272 0.6272 0.6793 0.6793 5.0985 5.0985 5.5993 5.5993 5.8860 5.8860 5.9237 5.9237 7.0093 7.0093 k = 0.3138 0.5412-0.1565 ( 10898 PWs) bands (ev): -13.6351 -13.6351 -13.3913 -13.3913 -12.8829 -12.8829 -12.8679 -12.8679 -12.7925 -12.7925 -12.7652 -12.7652 -6.5127 -6.5127 -5.0744 -5.0744 -2.8317 -2.8317 -2.7149 -2.7149 -2.5109 -2.5109 -2.4337 -2.4337 -2.2039 -2.2039 -1.0009 -1.0009 -0.8931 -0.8931 -0.7680 -0.7680 -0.5803 -0.5803 -0.4440 -0.4440 -0.1867 -0.1867 -0.1474 -0.1474 0.0459 0.0459 0.2519 0.2519 0.5631 0.5631 0.6328 0.6328 0.6877 0.6877 5.0938 5.0938 5.5861 5.5861 5.8744 5.8744 5.9148 5.9148 7.0009 7.0009 k = 0.3239 0.5586-0.1616 ( 10903 PWs) bands (ev): -13.6346 -13.6346 -13.3905 -13.3905 -12.8800 -12.8800 -12.8733 -12.8733 -12.7930 -12.7930 -12.7639 -12.7639 -6.5115 -6.5115 -5.0726 -5.0726 -2.8431 -2.8431 -2.7200 -2.7200 -2.5043 -2.5043 -2.4215 -2.4215 -2.2207 -2.2207 -0.9988 -0.9988 -0.8853 -0.8853 -0.7605 -0.7605 -0.5859 -0.5859 -0.4375 -0.4375 -0.1772 -0.1772 -0.1640 -0.1640 0.0472 0.0472 0.2513 0.2513 0.5619 0.5619 0.6370 0.6370 0.6959 0.6959 5.0930 5.0930 5.5724 5.5724 5.8652 5.8652 5.9042 5.9042 6.9930 6.9930 k = 0.3341 0.5761-0.1666 ( 10900 PWs) bands (ev): -13.6346 -13.6346 -13.3899 -13.3899 -12.8786 -12.8786 -12.8764 -12.8764 -12.7935 -12.7935 -12.7623 -12.7623 -6.5108 -6.5108 -5.0708 -5.0708 -2.8550 -2.8550 -2.7251 -2.7251 -2.4990 -2.4990 -2.4103 -2.4103 -2.2359 -2.2359 -0.9951 -0.9951 -0.8758 -0.8758 -0.7522 -0.7522 -0.5916 -0.5916 -0.4318 -0.4318 -0.1836 -0.1836 -0.1626 -0.1626 0.0487 0.0487 0.2497 0.2497 0.5585 0.5585 0.6399 0.6399 0.7038 0.7038 5.0960 5.0960 5.5581 5.5581 5.8589 5.8589 5.8920 5.8920 6.9854 6.9854 k = 0.3341 0.5761-0.1666 ( 10900 PWs) bands (ev): -13.6346 -13.6346 -13.3899 -13.3899 -12.8786 -12.8786 -12.8764 -12.8764 -12.7935 -12.7935 -12.7623 -12.7623 -6.5108 -6.5108 -5.0708 -5.0708 -2.8550 -2.8550 -2.7251 -2.7251 -2.4990 -2.4990 -2.4103 -2.4103 -2.2359 -2.2359 -0.9951 -0.9951 -0.8758 -0.8758 -0.7522 -0.7522 -0.5916 -0.5916 -0.4318 -0.4318 -0.1836 -0.1836 -0.1626 -0.1626 0.0487 0.0487 0.2497 0.2497 0.5585 0.5585 0.6399 0.6399 0.7038 0.7038 5.0960 5.0960 5.5581 5.5581 5.8589 5.8589 5.8920 5.8920 6.9854 6.9854 k = 0.3374 0.5818-0.1468 ( 10901 PWs) bands (ev): -13.6335 -13.6335 -13.3910 -13.3910 -12.8768 -12.8768 -12.8751 -12.8751 -12.7973 -12.7973 -12.7620 -12.7620 -6.5119 -6.5119 -5.0677 -5.0677 -2.8533 -2.8533 -2.7093 -2.7093 -2.4905 -2.4905 -2.4174 -2.4174 -2.2469 -2.2469 -1.0103 -1.0103 -0.8809 -0.8809 -0.7539 -0.7539 -0.5789 -0.5789 -0.4212 -0.4212 -0.1873 -0.1873 -0.1678 -0.1678 0.0322 0.0322 0.2493 0.2493 0.5640 0.5640 0.6372 0.6372 0.7008 0.7008 5.0980 5.0980 5.5743 5.5743 5.8596 5.8596 5.9189 5.9189 7.0020 7.0020 k = 0.3407 0.5876-0.1270 ( 10901 PWs) bands (ev): -13.6320 -13.6320 -13.3925 -13.3925 -12.8748 -12.8748 -12.8734 -12.8734 -12.8013 -12.8013 -12.7619 -12.7619 -6.5131 -6.5131 -5.0643 -5.0643 -2.8518 -2.8518 -2.6930 -2.6930 -2.4832 -2.4832 -2.4223 -2.4223 -2.2578 -2.2578 -1.0249 -1.0249 -0.8891 -0.8891 -0.7528 -0.7528 -0.5665 -0.5665 -0.4111 -0.4111 -0.2125 -0.2125 -0.1565 -0.1565 0.0159 0.0159 0.2488 0.2488 0.5692 0.5692 0.6354 0.6354 0.7007 0.7007 5.1015 5.1015 5.5919 5.5919 5.8590 5.8590 5.9419 5.9419 7.0212 7.0212 k = 0.3440 0.5933-0.1071 ( 10911 PWs) bands (ev): -13.6302 -13.6302 -13.3945 -13.3945 -12.8726 -12.8726 -12.8716 -12.8716 -12.8054 -12.8054 -12.7619 -12.7619 -6.5143 -6.5143 -5.0605 -5.0605 -2.8501 -2.8501 -2.6767 -2.6767 -2.4793 -2.4793 -2.4234 -2.4234 -2.2680 -2.2680 -1.0384 -1.0384 -0.8994 -0.8994 -0.7504 -0.7504 -0.5548 -0.5548 -0.4021 -0.4021 -0.2413 -0.2413 -0.1450 -0.1450 0.0007 0.0007 0.2470 0.2470 0.5741 0.5741 0.6335 0.6335 0.7044 0.7044 5.1066 5.1066 5.6106 5.6106 5.8576 5.8576 5.9603 5.9603 7.0424 7.0424 k = 0.3474 0.5991-0.0873 ( 10911 PWs) bands (ev): -13.6281 -13.6281 -13.3970 -13.3970 -12.8703 -12.8703 -12.8695 -12.8695 -12.8097 -12.8097 -12.7622 -12.7622 -6.5154 -6.5154 -5.0565 -5.0565 -2.8482 -2.8482 -2.6608 -2.6608 -2.4798 -2.4798 -2.4201 -2.4201 -2.2767 -2.2767 -1.0509 -1.0509 -0.9106 -0.9106 -0.7478 -0.7478 -0.5441 -0.5441 -0.3954 -0.3954 -0.2698 -0.2698 -0.1346 -0.1346 -0.0122 -0.0122 0.2430 0.2430 0.5786 0.5786 0.6306 0.6306 0.7122 0.7122 5.1130 5.1130 5.6300 5.6300 5.8556 5.8556 5.9736 5.9736 7.0652 7.0652 k = 0.3507 0.6048-0.0674 ( 10915 PWs) bands (ev): -13.6256 -13.6256 -13.3999 -13.3999 -12.8678 -12.8678 -12.8671 -12.8671 -12.8141 -12.8141 -12.7626 -12.7626 -6.5165 -6.5165 -5.0523 -5.0523 -2.8460 -2.8460 -2.6460 -2.6460 -2.4832 -2.4832 -2.4146 -2.4146 -2.2828 -2.2828 -1.0621 -1.0621 -0.9221 -0.9221 -0.7462 -0.7462 -0.5348 -0.5348 -0.3936 -0.3936 -0.2938 -0.2938 -0.1267 -0.1267 -0.0215 -0.0215 0.2366 0.2366 0.5827 0.5827 0.6267 0.6267 0.7239 0.7239 5.1207 5.1207 5.6495 5.6495 5.8533 5.8533 5.9817 5.9817 7.0892 7.0892 k = 0.3540 0.6105-0.0476 ( 10913 PWs) bands (ev): -13.6229 -13.6229 -13.4031 -13.4031 -12.8651 -12.8651 -12.8646 -12.8646 -12.8186 -12.8186 -12.7633 -12.7633 -6.5176 -6.5176 -5.0480 -5.0480 -2.8435 -2.8435 -2.6333 -2.6333 -2.4873 -2.4873 -2.4099 -2.4099 -2.2849 -2.2849 -1.0721 -1.0721 -0.9332 -0.9332 -0.7464 -0.7464 -0.5274 -0.5274 -0.4004 -0.4004 -0.3075 -0.3075 -0.1226 -0.1226 -0.0258 -0.0258 0.2279 0.2279 0.5861 0.5861 0.6224 0.6224 0.7385 0.7385 5.1294 5.1294 5.6685 5.6685 5.8509 5.8509 5.9846 5.9846 7.1138 7.1138 k = 0.3574 0.6163-0.0277 ( 10930 PWs) bands (ev): -13.6200 -13.6200 -13.4065 -13.4065 -12.8623 -12.8623 -12.8618 -12.8618 -12.8232 -12.8232 -12.7641 -12.7641 -6.5186 -6.5186 -5.0437 -5.0437 -2.8407 -2.8407 -2.6238 -2.6238 -2.4901 -2.4901 -2.4080 -2.4080 -2.2821 -2.2821 -1.0808 -1.0808 -0.9437 -0.9437 -0.7495 -0.7495 -0.5227 -0.5227 -0.4154 -0.4154 -0.3093 -0.3093 -0.1231 -0.1231 -0.0244 -0.0244 0.2174 0.2174 0.5880 0.5880 0.6187 0.6187 0.7549 0.7549 5.1392 5.1392 5.6862 5.6862 5.8487 5.8487 5.9825 5.9825 7.1385 7.1385 k = 0.3607 0.6220-0.0079 ( 10920 PWs) bands (ev): -13.6169 -13.6169 -13.4103 -13.4103 -12.8594 -12.8594 -12.8588 -12.8588 -12.8279 -12.8279 -12.7650 -12.7650 -6.5196 -6.5196 -5.0394 -5.0394 -2.8377 -2.8377 -2.6184 -2.6184 -2.4906 -2.4906 -2.4092 -2.4092 -2.2744 -2.2744 -1.0882 -1.0882 -0.9533 -0.9533 -0.7559 -0.7559 -0.5216 -0.5216 -0.4322 -0.4322 -0.3033 -0.3033 -0.1272 -0.1272 -0.0184 -0.0184 0.2054 0.2054 0.5875 0.5875 0.6169 0.6169 0.7723 0.7723 5.1498 5.1498 5.7018 5.7018 5.8469 5.8469 5.9758 5.9758 7.1628 7.1628 k = 0.3640 0.6278 0.0120 ( 10923 PWs) bands (ev): -13.6138 -13.6138 -13.4141 -13.4141 -12.8563 -12.8563 -12.8556 -12.8556 -12.8326 -12.8326 -12.7662 -12.7662 -6.5205 -6.5205 -5.0353 -5.0353 -2.8346 -2.8346 -2.6176 -2.6176 -2.4891 -2.4891 -2.4118 -2.4118 -2.2630 -2.2630 -1.0943 -1.0943 -0.9618 -0.9618 -0.7661 -0.7661 -0.5251 -0.5251 -0.4451 -0.4451 -0.2933 -0.2933 -0.1336 -0.1336 -0.0097 -0.0097 0.1928 0.1928 0.5841 0.5841 0.6176 0.6176 0.7899 0.7899 5.1611 5.1611 5.7144 5.7144 5.8460 5.8460 5.9649 5.9649 7.1858 7.1858 k = 0.3673 0.6335 0.0318 ( 10913 PWs) bands (ev): -13.6106 -13.6106 -13.4180 -13.4180 -12.8532 -12.8532 -12.8522 -12.8522 -12.8374 -12.8374 -12.7675 -12.7675 -6.5213 -6.5213 -5.0314 -5.0314 -2.8317 -2.8317 -2.6209 -2.6209 -2.4873 -2.4873 -2.4131 -2.4131 -2.2494 -2.2494 -1.0991 -1.0991 -0.9692 -0.9692 -0.7800 -0.7800 -0.5325 -0.5325 -0.4521 -0.4521 -0.2813 -0.2813 -0.1408 -0.1408 -0.0000 -0.0000 0.1803 0.1803 0.5784 0.5784 0.6202 0.6202 0.8072 0.8072 5.1731 5.1731 5.7232 5.7232 5.8459 5.8459 5.9503 5.9503 7.2051 7.2051 k = 0.3707 0.6392 0.0516 ( 10909 PWs) bands (ev): -13.6075 -13.6075 -13.4219 -13.4219 -12.8502 -12.8502 -12.8487 -12.8487 -12.8419 -12.8419 -12.7690 -12.7690 -6.5221 -6.5221 -5.0277 -5.0277 -2.8291 -2.8291 -2.6273 -2.6273 -2.4877 -2.4877 -2.4105 -2.4105 -2.2349 -2.2349 -1.1028 -1.1028 -0.9754 -0.9754 -0.7966 -0.7966 -0.5416 -0.5416 -0.4543 -0.4543 -0.2683 -0.2683 -0.1480 -0.1480 0.0089 0.0089 0.1690 0.1690 0.5716 0.5716 0.6238 0.6238 0.8237 0.8237 5.1855 5.1855 5.7280 5.7280 5.8467 5.8467 5.9327 5.9327 7.2121 7.2121 k = 0.3740 0.6450 0.0715 ( 10907 PWs) bands (ev): -13.6046 -13.6046 -13.4256 -13.4256 -12.8491 -12.8491 -12.8450 -12.8450 -12.8444 -12.8444 -12.7705 -12.7705 -6.5228 -6.5228 -5.0243 -5.0243 -2.8272 -2.8272 -2.6357 -2.6357 -2.4917 -2.4917 -2.4028 -2.4028 -2.2205 -2.2205 -1.1055 -1.1055 -0.9804 -0.9804 -0.8146 -0.8146 -0.5507 -0.5507 -0.4537 -0.4537 -0.2553 -0.2553 -0.1544 -0.1544 0.0157 0.0157 0.1601 0.1601 0.5641 0.5641 0.6278 0.6278 0.8392 0.8392 5.1984 5.1984 5.7288 5.7288 5.8474 5.8474 5.9127 5.9127 7.2093 7.2093 k = 0.3773 0.6507 0.0913 ( 10905 PWs) bands (ev): -13.6020 -13.6020 -13.4290 -13.4290 -12.8528 -12.8528 -12.8424 -12.8424 -12.8410 -12.8410 -12.7722 -12.7722 -6.5234 -6.5234 -5.0213 -5.0213 -2.8262 -2.8262 -2.6454 -2.6454 -2.4983 -2.4983 -2.3911 -2.3911 -2.2072 -2.2072 -1.1073 -1.1073 -0.9842 -0.9842 -0.8324 -0.8324 -0.5590 -0.5590 -0.4514 -0.4514 -0.2436 -0.2436 -0.1589 -0.1589 0.0190 0.0190 0.1549 0.1549 0.5564 0.5564 0.6320 0.6320 0.8532 0.8532 5.2115 5.2115 5.7261 5.7261 5.8469 5.8469 5.8915 5.8915 7.2048 7.2048 k = 0.3807 0.6565 0.1112 ( 10912 PWs) bands (ev): -13.5998 -13.5998 -13.4320 -13.4320 -12.8575 -12.8575 -12.8392 -12.8392 -12.8370 -12.8370 -12.7740 -12.7740 -6.5240 -6.5240 -5.0188 -5.0188 -2.8263 -2.8263 -2.6558 -2.6558 -2.5061 -2.5061 -2.3770 -2.3770 -2.1956 -2.1956 -1.1082 -1.1082 -0.9868 -0.9868 -0.8485 -0.8485 -0.5663 -0.5663 -0.4481 -0.4481 -0.2351 -0.2351 -0.1601 -0.1601 0.0181 0.0181 0.1541 0.1541 0.5485 0.5485 0.6363 0.6363 0.8657 0.8657 5.2248 5.2248 5.7205 5.7205 5.8420 5.8420 5.8721 5.8721 7.2002 7.2002 k = 0.3840 0.6622 0.1310 ( 10896 PWs) bands (ev): -13.5981 -13.5981 -13.4345 -13.4345 -12.8623 -12.8623 -12.8358 -12.8358 -12.8328 -12.8328 -12.7758 -12.7758 -6.5246 -6.5246 -5.0166 -5.0166 -2.8278 -2.8278 -2.6666 -2.6666 -2.5139 -2.5139 -2.3617 -2.3617 -2.1860 -2.1860 -1.1084 -1.1084 -0.9879 -0.9879 -0.8616 -0.8616 -0.5729 -0.5729 -0.4440 -0.4440 -0.2317 -0.2317 -0.1564 -0.1564 0.0136 0.0136 0.1575 0.1575 0.5406 0.5406 0.6405 0.6405 0.8765 0.8765 5.2381 5.2381 5.7125 5.7125 5.8273 5.8273 5.8599 5.8599 7.1955 7.1955 k = 0.3840 0.6622 0.1310 ( 10896 PWs) bands (ev): -13.5981 -13.5981 -13.4345 -13.4345 -12.8623 -12.8623 -12.8358 -12.8358 -12.8328 -12.8328 -12.7758 -12.7758 -6.5246 -6.5246 -5.0166 -5.0166 -2.8278 -2.8278 -2.6666 -2.6666 -2.5139 -2.5139 -2.3617 -2.3617 -2.1860 -2.1860 -1.1084 -1.1084 -0.9879 -0.9879 -0.8616 -0.8616 -0.5729 -0.5729 -0.4440 -0.4440 -0.2317 -0.2317 -0.1564 -0.1564 0.0136 0.0136 0.1575 0.1575 0.5406 0.5406 0.6405 0.6405 0.8765 0.8765 5.2381 5.2381 5.7125 5.7125 5.8273 5.8273 5.8599 5.8599 7.1955 7.1955 k = 0.3787 0.6531 0.1486 ( 10902 PWs) bands (ev): -13.5971 -13.5971 -13.4346 -13.4346 -12.8655 -12.8655 -12.8332 -12.8332 -12.8302 -12.8302 -12.7792 -12.7792 -6.5260 -6.5260 -5.0130 -5.0130 -2.8241 -2.8241 -2.6866 -2.6866 -2.5072 -2.5072 -2.3486 -2.3486 -2.1836 -2.1836 -1.1106 -1.1106 -0.9929 -0.9929 -0.8800 -0.8800 -0.5696 -0.5696 -0.4330 -0.4330 -0.2379 -0.2379 -0.1567 -0.1567 0.0127 0.0127 0.1703 0.1703 0.5358 0.5358 0.6512 0.6512 0.8803 0.8803 5.2434 5.2434 5.7097 5.7097 5.7846 5.7846 5.8443 5.8443 7.1904 7.1904 k = 0.3735 0.6441 0.1661 ( 10902 PWs) bands (ev): -13.5964 -13.5964 -13.4344 -13.4344 -12.8685 -12.8685 -12.8334 -12.8334 -12.8247 -12.8247 -12.7826 -12.7826 -6.5274 -6.5274 -5.0097 -5.0097 -2.8234 -2.8234 -2.7045 -2.7045 -2.4993 -2.4993 -2.3367 -2.3367 -2.1825 -2.1825 -1.1113 -1.1113 -0.9963 -0.9963 -0.8970 -0.8970 -0.5657 -0.5657 -0.4229 -0.4229 -0.2474 -0.2474 -0.1536 -0.1536 0.0098 0.0098 0.1855 0.1855 0.5312 0.5312 0.6612 0.6612 0.8836 0.8836 5.2498 5.2498 5.7004 5.7004 5.7417 5.7417 5.8312 5.8312 7.1846 7.1846 k = 0.3682 0.6350 0.1836 ( 10916 PWs) bands (ev): -13.5960 -13.5960 -13.4341 -13.4341 -12.8713 -12.8713 -12.8335 -12.8335 -12.8192 -12.8192 -12.7861 -12.7861 -6.5287 -6.5287 -5.0068 -5.0068 -2.8263 -2.8263 -2.7192 -2.7192 -2.4900 -2.4900 -2.3266 -2.3266 -2.1826 -2.1826 -1.1106 -1.1106 -0.9985 -0.9985 -0.9119 -0.9119 -0.5614 -0.5614 -0.4139 -0.4139 -0.2591 -0.2591 -0.1488 -0.1488 0.0066 0.0066 0.2022 0.2022 0.5270 0.5270 0.6707 0.6707 0.8865 0.8865 5.2571 5.2571 5.6706 5.6706 5.7168 5.7168 5.8177 5.8177 7.1787 7.1787 k = 0.3630 0.6260 0.2012 ( 10909 PWs) bands (ev): -13.5959 -13.5959 -13.4336 -13.4336 -12.8739 -12.8739 -12.8335 -12.8335 -12.8139 -12.8139 -12.7895 -12.7895 -6.5299 -6.5299 -5.0043 -5.0043 -2.8332 -2.8332 -2.7301 -2.7301 -2.4795 -2.4795 -2.3185 -2.3185 -2.1835 -2.1835 -1.1086 -1.1086 -1.0002 -1.0002 -0.9235 -0.9235 -0.5569 -0.5569 -0.4060 -0.4060 -0.2720 -0.2720 -0.1445 -0.1445 0.0046 0.0046 0.2196 0.2196 0.5231 0.5231 0.6794 0.6794 0.8889 0.8889 5.2651 5.2651 5.6251 5.6251 5.7072 5.7072 5.8031 5.8031 7.1730 7.1730 k = 0.3577 0.6169 0.2187 ( 10919 PWs) bands (ev): -13.5960 -13.5960 -13.4330 -13.4330 -12.8763 -12.8763 -12.8335 -12.8335 -12.8087 -12.8087 -12.7929 -12.7929 -6.5309 -6.5309 -5.0024 -5.0024 -2.8437 -2.8437 -2.7374 -2.7374 -2.4679 -2.4679 -2.3129 -2.3129 -2.1851 -2.1851 -1.1057 -1.1057 -1.0022 -1.0022 -0.9306 -0.9306 -0.5526 -0.5526 -0.3993 -0.3993 -0.2853 -0.2853 -0.1426 -0.1426 0.0055 0.0055 0.2372 0.2372 0.5195 0.5195 0.6873 0.6873 0.8910 0.8910 5.2735 5.2735 5.5777 5.5777 5.7008 5.7008 5.7870 5.7870 7.1678 7.1678 k = 0.3525 0.6078 0.2363 ( 10913 PWs) bands (ev): -13.5963 -13.5963 -13.4322 -13.4322 -12.8784 -12.8784 -12.8336 -12.8336 -12.8037 -12.8037 -12.7960 -12.7960 -6.5317 -6.5317 -5.0011 -5.0011 -2.8567 -2.8567 -2.7420 -2.7420 -2.4554 -2.4554 -2.3097 -2.3097 -2.1869 -2.1869 -1.1023 -1.1023 -1.0047 -1.0047 -0.9326 -0.9326 -0.5485 -0.5485 -0.3944 -0.3944 -0.2981 -0.2981 -0.1445 -0.1445 0.0103 0.0103 0.2545 0.2545 0.5163 0.5163 0.6944 0.6944 0.8926 0.8926 5.2822 5.2822 5.5317 5.5317 5.6957 5.6957 5.7691 5.7691 7.1629 7.1629 k = 0.3472 0.5988 0.2538 ( 10919 PWs) bands (ev): -13.5968 -13.5968 -13.4315 -13.4315 -12.8803 -12.8803 -12.8340 -12.8340 -12.7990 -12.7990 -12.7986 -12.7986 -6.5323 -6.5323 -5.0005 -5.0005 -2.8708 -2.8708 -2.7448 -2.7448 -2.4421 -2.4421 -2.3091 -2.3091 -2.1889 -2.1889 -1.0989 -1.0989 -1.0071 -1.0071 -0.9295 -0.9295 -0.5449 -0.5449 -0.3917 -0.3917 -0.3095 -0.3095 -0.1508 -0.1508 0.0193 0.0193 0.2711 0.2711 0.5133 0.5133 0.7006 0.7006 0.8938 0.8938 5.2908 5.2908 5.4886 5.4886 5.6918 5.6918 5.7495 5.7495 7.1585 7.1585 k = 0.3419 0.5897 0.2714 ( 10904 PWs) bands (ev): -13.5974 -13.5974 -13.4307 -13.4307 -12.8819 -12.8819 -12.8347 -12.8347 -12.8010 -12.8010 -12.7943 -12.7943 -6.5326 -6.5326 -5.0007 -5.0007 -2.8852 -2.8852 -2.7468 -2.7468 -2.4284 -2.4284 -2.3109 -2.3109 -2.1907 -2.1907 -1.0962 -1.0962 -1.0080 -1.0080 -0.9223 -0.9223 -0.5419 -0.5419 -0.3923 -0.3923 -0.3181 -0.3181 -0.1611 -0.1611 0.0319 0.0319 0.2868 0.2868 0.5107 0.5107 0.7058 0.7058 0.8946 0.8946 5.2989 5.2989 5.4493 5.4493 5.6893 5.6893 5.7284 5.7284 7.1545 7.1545 k = 0.3367 0.5806 0.2889 ( 10884 PWs) bands (ev): -13.5981 -13.5981 -13.4300 -13.4300 -12.8833 -12.8833 -12.8361 -12.8361 -12.8025 -12.8025 -12.7899 -12.7899 -6.5325 -6.5325 -5.0017 -5.0017 -2.8990 -2.8990 -2.7483 -2.7483 -2.4146 -2.4146 -2.3149 -2.3149 -2.1922 -2.1922 -1.0947 -1.0947 -1.0063 -1.0063 -0.9118 -0.9118 -0.5397 -0.5397 -0.3969 -0.3969 -0.3230 -0.3230 -0.1746 -0.1746 0.0471 0.0471 0.3014 0.3014 0.5083 0.5083 0.7100 0.7100 0.8951 0.8951 5.3061 5.3061 5.4147 5.4147 5.6877 5.6877 5.7065 5.7065 7.1509 7.1509 k = 0.3314 0.5716 0.3064 ( 10890 PWs) bands (ev): -13.5990 -13.5990 -13.4294 -13.4294 -12.8843 -12.8843 -12.8380 -12.8380 -12.8032 -12.8032 -12.7857 -12.7857 -6.5322 -6.5322 -5.0035 -5.0035 -2.9118 -2.9118 -2.7496 -2.7496 -2.4013 -2.4013 -2.3206 -2.3206 -2.1935 -2.1935 -1.0945 -1.0945 -1.0012 -1.0012 -0.8988 -0.8988 -0.5385 -0.5385 -0.4052 -0.4052 -0.3242 -0.3242 -0.1905 -0.1905 0.0638 0.0638 0.3147 0.3147 0.5062 0.5062 0.7131 0.7131 0.8952 0.8952 5.3115 5.3115 5.3860 5.3860 5.6786 5.6786 5.6929 5.6929 7.1475 7.1475 k = 0.3262 0.5625 0.3240 ( 10910 PWs) bands (ev): -13.5999 -13.5999 -13.4289 -13.4289 -12.8850 -12.8850 -12.8406 -12.8406 -12.8030 -12.8030 -12.7819 -12.7819 -6.5315 -6.5315 -5.0062 -5.0062 -2.9235 -2.9235 -2.7508 -2.7508 -2.3891 -2.3891 -2.3274 -2.3274 -2.1943 -2.1943 -1.0951 -1.0951 -0.9929 -0.9929 -0.8839 -0.8839 -0.5385 -0.5385 -0.4160 -0.4160 -0.3227 -0.3227 -0.2081 -0.2081 0.0813 0.0813 0.3265 0.3265 0.5044 0.5044 0.7151 0.7151 0.8950 0.8950 5.3134 5.3134 5.3651 5.3651 5.6556 5.6556 5.6944 5.6944 7.1442 7.1442 k = 0.3209 0.5534 0.3415 ( 10899 PWs) bands (ev): -13.6009 -13.6009 -13.4284 -13.4284 -12.8854 -12.8854 -12.8437 -12.8437 -12.8022 -12.8022 -12.7783 -12.7783 -6.5306 -6.5306 -5.0097 -5.0097 -2.9336 -2.9336 -2.7519 -2.7519 -2.3792 -2.3792 -2.3340 -2.3340 -2.1946 -2.1946 -1.0960 -1.0960 -0.9820 -0.9820 -0.8675 -0.8675 -0.5400 -0.5400 -0.4279 -0.4279 -0.3196 -0.3196 -0.2268 -0.2268 0.0988 0.0988 0.3367 0.3367 0.5027 0.5027 0.7160 0.7160 0.8946 0.8946 5.3099 5.3099 5.3538 5.3538 5.6312 5.6312 5.6992 5.6992 7.1409 7.1409 k = 0.3157 0.5444 0.3591 ( 10889 PWs) bands (ev): -13.6020 -13.6020 -13.4281 -13.4281 -12.8855 -12.8855 -12.8471 -12.8471 -12.8007 -12.8007 -12.7750 -12.7750 -6.5293 -6.5293 -5.0140 -5.0140 -2.9423 -2.9423 -2.7530 -2.7530 -2.3741 -2.3741 -2.3382 -2.3382 -2.1942 -2.1942 -1.0966 -1.0966 -0.9690 -0.9690 -0.8499 -0.8499 -0.5432 -0.5432 -0.4398 -0.4398 -0.3163 -0.3163 -0.2456 -0.2456 0.1158 0.1158 0.3453 0.3453 0.5013 0.5013 0.7157 0.7157 0.8939 0.8939 5.3030 5.3030 5.3500 5.3500 5.6071 5.6071 5.7063 5.7063 7.1374 7.1374 k = 0.3104 0.5353 0.3766 ( 10893 PWs) bands (ev): -13.6031 -13.6031 -13.4279 -13.4279 -12.8852 -12.8852 -12.8508 -12.8508 -12.7989 -12.7989 -12.7719 -12.7719 -6.5277 -6.5277 -5.0191 -5.0191 -2.9492 -2.9492 -2.7540 -2.7540 -2.3759 -2.3759 -2.3381 -2.3381 -2.1927 -2.1927 -1.0963 -1.0963 -0.9543 -0.9543 -0.8315 -0.8315 -0.5482 -0.5482 -0.4509 -0.4509 -0.3145 -0.3145 -0.2626 -0.2626 0.1318 0.1318 0.3521 0.3521 0.5000 0.5000 0.7142 0.7142 0.8930 0.8930 5.2975 5.2975 5.3487 5.3487 5.5844 5.5844 5.7155 5.7155 7.1335 7.1335 k = 0.3052 0.5263 0.3941 ( 10895 PWs) bands (ev): -13.6044 -13.6044 -13.4278 -13.4278 -12.8846 -12.8846 -12.8545 -12.8545 -12.7967 -12.7967 -12.7692 -12.7692 -6.5260 -6.5260 -5.0249 -5.0249 -2.9545 -2.9545 -2.7550 -2.7550 -2.3831 -2.3831 -2.3355 -2.3355 -2.1898 -2.1898 -1.0950 -1.0950 -0.9385 -0.9385 -0.8126 -0.8126 -0.5552 -0.5552 -0.4607 -0.4607 -0.3186 -0.3186 -0.2736 -0.2736 0.1465 0.1465 0.3572 0.3572 0.4988 0.4988 0.7116 0.7116 0.8919 0.8919 5.2958 5.2958 5.3467 5.3467 5.5641 5.5641 5.7266 5.7266 7.1291 7.1291 k = 0.2999 0.5172 0.4117 ( 10889 PWs) bands (ev): -13.6057 -13.6057 -13.4278 -13.4278 -12.8838 -12.8838 -12.8582 -12.8582 -12.7943 -12.7943 -12.7668 -12.7668 -6.5240 -6.5240 -5.0313 -5.0313 -2.9580 -2.9580 -2.7558 -2.7558 -2.3928 -2.3928 -2.3334 -2.3334 -2.1855 -2.1855 -1.0924 -1.0924 -0.9219 -0.9219 -0.7936 -0.7936 -0.5640 -0.5640 -0.4690 -0.4690 -0.3319 -0.3319 -0.2750 -0.2750 0.1594 0.1594 0.3605 0.3605 0.4976 0.4976 0.7079 0.7079 0.8907 0.8907 5.2984 5.2984 5.3430 5.3430 5.5473 5.5473 5.7395 5.7395 7.1240 7.1240 k = 0.2946 0.5081 0.4292 ( 10885 PWs) bands (ev): -13.6072 -13.6072 -13.4279 -13.4279 -12.8825 -12.8825 -12.8618 -12.8618 -12.7917 -12.7917 -12.7647 -12.7647 -6.5219 -6.5219 -5.0383 -5.0383 -2.9598 -2.9598 -2.7564 -2.7564 -2.4034 -2.4034 -2.3334 -2.3334 -2.1796 -2.1796 -1.0885 -1.0885 -0.9047 -0.9047 -0.7748 -0.7748 -0.5742 -0.5742 -0.4756 -0.4756 -0.3505 -0.3505 -0.2702 -0.2702 0.1704 0.1704 0.3619 0.3619 0.4965 0.4965 0.7031 0.7031 0.8893 0.8893 5.3034 5.3034 5.3388 5.3388 5.5350 5.5350 5.7540 5.7540 7.1182 7.1182 k = 0.2894 0.4991 0.4468 ( 10888 PWs) bands (ev): -13.6088 -13.6088 -13.4281 -13.4281 -12.8810 -12.8810 -12.8653 -12.8653 -12.7891 -12.7891 -12.7629 -12.7629 -6.5198 -6.5198 -5.0457 -5.0457 -2.9599 -2.9599 -2.7569 -2.7569 -2.4143 -2.4143 -2.3358 -2.3358 -2.1724 -2.1724 -1.0831 -1.0831 -0.8873 -0.8873 -0.7568 -0.7568 -0.5850 -0.5850 -0.4809 -0.4809 -0.3708 -0.3708 -0.2626 -0.2626 0.1793 0.1793 0.3616 0.3616 0.4953 0.4953 0.6973 0.6973 0.8877 0.8877 5.3036 5.3036 5.3415 5.3415 5.5274 5.5274 5.7699 5.7699 7.1116 7.1116 k = 0.2841 0.4900 0.4643 ( 10892 PWs) bands (ev): -13.6107 -13.6107 -13.4283 -13.4283 -12.8792 -12.8792 -12.8685 -12.8685 -12.7863 -12.7863 -12.7614 -12.7614 -6.5176 -6.5176 -5.0534 -5.0534 -2.9583 -2.9583 -2.7571 -2.7571 -2.4254 -2.4254 -2.3405 -2.3405 -2.1642 -2.1642 -1.0763 -1.0763 -0.8701 -0.8701 -0.7402 -0.7402 -0.5957 -0.5957 -0.4849 -0.4849 -0.3909 -0.3909 -0.2536 -0.2536 0.1859 0.1859 0.3594 0.3594 0.4941 0.4941 0.6904 0.6904 0.8858 0.8858 5.2934 5.2934 5.3568 5.3568 5.5244 5.5244 5.7871 5.7871 7.1046 7.1046 k = 0.2841 0.4900 0.4643 ( 10892 PWs) bands (ev): -13.6107 -13.6107 -13.4283 -13.4283 -12.8792 -12.8792 -12.8685 -12.8685 -12.7863 -12.7863 -12.7614 -12.7614 -6.5176 -6.5176 -5.0534 -5.0534 -2.9583 -2.9583 -2.7571 -2.7571 -2.4254 -2.4254 -2.3405 -2.3405 -2.1642 -2.1642 -1.0763 -1.0763 -0.8701 -0.8701 -0.7402 -0.7402 -0.5957 -0.5957 -0.4849 -0.4849 -0.3909 -0.3909 -0.2536 -0.2536 0.1859 0.1859 0.3594 0.3594 0.4941 0.4941 0.6904 0.6904 0.8858 0.8858 5.2934 5.2934 5.3568 5.3568 5.5244 5.5244 5.7871 5.7871 7.1046 7.1046 k = 0.2736 0.4719 0.4643 ( 10888 PWs) bands (ev): -13.6105 -13.6105 -13.4336 -13.4336 -12.8747 -12.8747 -12.8697 -12.8697 -12.7854 -12.7854 -12.7591 -12.7591 -6.5182 -6.5182 -5.0586 -5.0586 -2.9612 -2.9612 -2.7481 -2.7481 -2.4248 -2.4248 -2.3482 -2.3482 -2.1579 -2.1579 -1.0757 -1.0757 -0.8651 -0.8651 -0.7402 -0.7402 -0.5969 -0.5969 -0.4996 -0.4996 -0.3931 -0.3931 -0.2388 -0.2388 0.1830 0.1830 0.3582 0.3582 0.4881 0.4881 0.6773 0.6773 0.8940 0.8940 5.2993 5.2993 5.3638 5.3638 5.5346 5.5346 5.8085 5.8085 7.1178 7.1178 k = 0.2631 0.4537 0.4643 ( 10889 PWs) bands (ev): -13.6108 -13.6108 -13.4392 -13.4392 -12.8705 -12.8705 -12.8699 -12.8699 -12.7839 -12.7839 -12.7569 -12.7569 -6.5190 -6.5190 -5.0643 -5.0643 -2.9636 -2.9636 -2.7404 -2.7404 -2.4258 -2.4258 -2.3557 -2.3557 -2.1534 -2.1534 -1.0731 -1.0731 -0.8594 -0.8594 -0.7386 -0.7386 -0.5979 -0.5979 -0.5116 -0.5116 -0.3939 -0.3939 -0.2238 -0.2238 0.1799 0.1799 0.3554 0.3554 0.4812 0.4812 0.6624 0.6624 0.9017 0.9017 5.3048 5.3048 5.3731 5.3731 5.5470 5.5470 5.8311 5.8311 7.1316 7.1316 k = 0.2526 0.4356 0.4643 ( 10880 PWs) bands (ev): -13.6117 -13.6117 -13.4453 -13.4453 -12.8700 -12.8700 -12.8654 -12.8654 -12.7820 -12.7820 -12.7547 -12.7547 -6.5202 -6.5202 -5.0704 -5.0704 -2.9655 -2.9655 -2.7343 -2.7343 -2.4286 -2.4286 -2.3623 -2.3623 -2.1511 -2.1511 -1.0692 -1.0692 -0.8528 -0.8528 -0.7354 -0.7354 -0.5988 -0.5988 -0.5198 -0.5198 -0.3932 -0.3932 -0.2089 -0.2089 0.1766 0.1766 0.3505 0.3505 0.4737 0.4737 0.6461 0.6461 0.9088 0.9088 5.3093 5.3093 5.3847 5.3847 5.5614 5.5614 5.8544 5.8544 7.1460 7.1460 k = 0.2420 0.4174 0.4643 ( 10882 PWs) bands (ev): -13.6132 -13.6132 -13.4517 -13.4517 -12.8690 -12.8690 -12.8607 -12.8607 -12.7797 -12.7797 -12.7526 -12.7526 -6.5216 -6.5216 -5.0768 -5.0768 -2.9669 -2.9669 -2.7300 -2.7300 -2.4333 -2.4333 -2.3678 -2.3678 -2.1513 -2.1513 -1.0650 -1.0650 -0.8451 -0.8451 -0.7307 -0.7307 -0.5988 -0.5988 -0.5237 -0.5237 -0.3908 -0.3908 -0.1945 -0.1945 0.1732 0.1732 0.3432 0.3432 0.4662 0.4662 0.6286 0.6286 0.9153 0.9153 5.3123 5.3123 5.3984 5.3984 5.5776 5.5776 5.8781 5.8781 7.1608 7.1608 k = 0.2315 0.3993 0.4643 ( 10886 PWs) bands (ev): -13.6151 -13.6151 -13.4583 -13.4583 -12.8672 -12.8672 -12.8559 -12.8559 -12.7770 -12.7770 -12.7505 -12.7505 -6.5234 -6.5234 -5.0835 -5.0835 -2.9676 -2.9676 -2.7276 -2.7276 -2.4395 -2.4395 -2.3723 -2.3723 -2.1538 -2.1538 -1.0612 -1.0612 -0.8365 -0.8365 -0.7252 -0.7252 -0.5965 -0.5965 -0.5233 -0.5233 -0.3868 -0.3868 -0.1807 -0.1807 0.1700 0.1700 0.3333 0.3333 0.4589 0.4589 0.6103 0.6103 0.9210 0.9210 5.3135 5.3135 5.4140 5.4140 5.5950 5.5950 5.9015 5.9015 7.1761 7.1761 k = 0.2210 0.3811 0.4643 ( 10886 PWs) bands (ev): -13.6176 -13.6176 -13.4652 -13.4652 -12.8646 -12.8646 -12.8512 -12.8512 -12.7740 -12.7740 -12.7485 -12.7485 -6.5254 -6.5254 -5.0904 -5.0904 -2.9678 -2.9678 -2.7275 -2.7275 -2.4469 -2.4469 -2.3762 -2.3762 -2.1584 -2.1584 -1.0587 -1.0587 -0.8271 -0.8271 -0.7194 -0.7194 -0.5904 -0.5904 -0.5188 -0.5188 -0.3810 -0.3810 -0.1678 -0.1678 0.1670 0.1670 0.3206 0.3206 0.4518 0.4518 0.5918 0.5918 0.9261 0.9261 5.3127 5.3127 5.4314 5.4314 5.6130 5.6130 5.9243 5.9243 7.1919 7.1919 k = 0.2105 0.3630 0.4643 ( 10882 PWs) bands (ev): -13.6205 -13.6205 -13.4722 -13.4722 -12.8613 -12.8613 -12.8464 -12.8464 -12.7707 -12.7707 -12.7466 -12.7466 -6.5277 -6.5277 -5.0974 -5.0974 -2.9674 -2.9674 -2.7295 -2.7295 -2.4549 -2.4549 -2.3801 -2.3801 -2.1649 -2.1649 -1.0579 -1.0579 -0.8172 -0.8172 -0.7140 -0.7140 -0.5796 -0.5796 -0.5100 -0.5100 -0.3735 -0.3735 -0.1561 -0.1561 0.1645 0.1645 0.3055 0.3055 0.4447 0.4447 0.5738 0.5738 0.9304 0.9304 5.3098 5.3098 5.4502 5.4502 5.6307 5.6307 5.9458 5.9458 7.2085 7.2085 k = 0.1999 0.3448 0.4643 ( 10885 PWs) bands (ev): -13.6239 -13.6239 -13.4794 -13.4794 -12.8573 -12.8573 -12.8417 -12.8417 -12.7672 -12.7672 -12.7448 -12.7448 -6.5302 -6.5302 -5.1044 -5.1044 -2.9664 -2.9664 -2.7337 -2.7337 -2.4632 -2.4632 -2.3841 -2.3841 -2.1730 -2.1730 -1.0588 -1.0588 -0.8072 -0.8072 -0.7094 -0.7094 -0.5649 -0.5649 -0.4961 -0.4961 -0.3642 -0.3642 -0.1460 -0.1460 0.1625 0.1625 0.2885 0.2885 0.4370 0.4370 0.5572 0.5572 0.9341 0.9341 5.3049 5.3049 5.4702 5.4702 5.6473 5.6473 5.9654 5.9654 7.2260 7.2260 k = 0.1894 0.3267 0.4643 ( 10878 PWs) bands (ev): -13.6276 -13.6276 -13.4866 -13.4866 -12.8527 -12.8527 -12.8369 -12.8369 -12.7636 -12.7636 -12.7431 -12.7431 -6.5329 -6.5329 -5.1115 -5.1115 -2.9649 -2.9649 -2.7400 -2.7400 -2.4716 -2.4716 -2.3884 -2.3884 -2.1823 -2.1823 -1.0616 -1.0616 -0.7971 -0.7971 -0.7051 -0.7051 -0.5486 -0.5486 -0.4759 -0.4759 -0.3533 -0.3533 -0.1378 -0.1378 0.1611 0.1611 0.2701 0.2701 0.4281 0.4281 0.5428 0.5428 0.9370 0.9370 5.2979 5.2979 5.4910 5.4910 5.6622 5.6622 5.9825 5.9825 7.2447 7.2447 k = 0.1789 0.3085 0.4643 ( 10870 PWs) bands (ev): -13.6316 -13.6316 -13.4938 -13.4938 -12.8475 -12.8475 -12.8323 -12.8323 -12.7598 -12.7598 -12.7415 -12.7415 -6.5357 -6.5357 -5.1185 -5.1185 -2.9631 -2.9631 -2.7481 -2.7481 -2.4800 -2.4800 -2.3932 -2.3932 -2.1927 -2.1927 -1.0658 -1.0658 -0.7870 -0.7870 -0.7006 -0.7006 -0.5330 -0.5330 -0.4491 -0.4491 -0.3407 -0.3407 -0.1317 -0.1317 0.1604 0.1604 0.2511 0.2511 0.4174 0.4174 0.5316 0.5316 0.9392 0.9392 5.2888 5.2888 5.5124 5.5124 5.6746 5.6746 5.9964 5.9964 7.2648 7.2648 k = 0.1684 0.2904 0.4643 ( 10866 PWs) bands (ev): -13.6359 -13.6359 -13.5010 -13.5010 -12.8418 -12.8418 -12.8277 -12.8277 -12.7561 -12.7561 -12.7400 -12.7400 -6.5386 -6.5386 -5.1253 -5.1253 -2.9609 -2.9609 -2.7578 -2.7578 -2.4882 -2.4882 -2.3985 -2.3985 -2.2037 -2.2037 -1.0712 -1.0712 -0.7769 -0.7769 -0.6953 -0.6953 -0.5188 -0.5188 -0.4174 -0.4174 -0.3264 -0.3264 -0.1279 -0.1279 0.1601 0.1601 0.2325 0.2325 0.4050 0.4050 0.5237 0.5237 0.9408 0.9408 5.2779 5.2779 5.5341 5.5341 5.6841 5.6841 6.0066 6.0066 7.2864 7.2864 k = 0.1579 0.2722 0.4643 ( 10860 PWs) bands (ev): -13.6403 -13.6403 -13.5080 -13.5080 -12.8358 -12.8358 -12.8233 -12.8233 -12.7524 -12.7524 -12.7386 -12.7386 -6.5416 -6.5416 -5.1320 -5.1320 -2.9586 -2.9586 -2.7686 -2.7686 -2.4963 -2.4963 -2.4042 -2.4042 -2.2150 -2.2150 -1.0776 -1.0776 -0.7666 -0.7666 -0.6888 -0.6888 -0.5056 -0.5056 -0.3843 -0.3843 -0.3097 -0.3097 -0.1261 -0.1261 0.1590 0.1590 0.2161 0.2161 0.3915 0.3915 0.5190 0.5190 0.9419 0.9419 5.2651 5.2651 5.5556 5.5556 5.6903 5.6903 6.0127 6.0127 7.3095 7.3095 k = 0.1473 0.2541 0.4643 ( 10862 PWs) bands (ev): -13.6448 -13.6448 -13.5149 -13.5149 -12.8294 -12.8294 -12.8189 -12.8189 -12.7488 -12.7488 -12.7374 -12.7374 -6.5447 -6.5447 -5.1384 -5.1384 -2.9563 -2.9563 -2.7801 -2.7801 -2.5042 -2.5042 -2.4103 -2.4103 -2.2264 -2.2264 -1.0846 -1.0846 -0.7563 -0.7563 -0.6809 -0.6809 -0.4930 -0.4930 -0.3542 -0.3542 -0.2894 -0.2894 -0.1256 -0.1256 0.1545 0.1545 0.2046 0.2046 0.3779 0.3779 0.5171 0.5171 0.9426 0.9426 5.2506 5.2506 5.5767 5.5767 5.6934 5.6934 6.0145 6.0145 7.3336 7.3336 k = 0.1368 0.2359 0.4643 ( 10855 PWs) bands (ev): -13.6494 -13.6494 -13.5215 -13.5215 -12.8228 -12.8228 -12.8148 -12.8148 -12.7453 -12.7453 -12.7363 -12.7363 -6.5477 -6.5477 -5.1446 -5.1446 -2.9543 -2.9543 -2.7917 -2.7917 -2.5120 -2.5120 -2.4169 -2.4169 -2.2375 -2.2375 -1.0919 -1.0919 -0.7459 -0.7459 -0.6712 -0.6712 -0.4810 -0.4810 -0.3310 -0.3310 -0.2658 -0.2658 -0.1243 -0.1243 0.1441 0.1441 0.2009 0.2009 0.3653 0.3653 0.5173 0.5173 0.9429 0.9429 5.2344 5.2344 5.5969 5.5969 5.6937 5.6937 6.0118 6.0118 7.3561 7.3561 k = 0.1263 0.2178 0.4643 ( 10860 PWs) bands (ev): -13.6539 -13.6539 -13.5279 -13.5279 -12.8160 -12.8160 -12.8107 -12.8107 -12.7421 -12.7421 -12.7353 -12.7353 -6.5507 -6.5507 -5.1504 -5.1504 -2.9528 -2.9528 -2.8029 -2.8029 -2.5197 -2.5197 -2.4238 -2.4238 -2.2482 -2.2482 -1.0995 -1.0995 -0.7356 -0.7356 -0.6598 -0.6598 -0.4697 -0.4697 -0.3148 -0.3148 -0.2436 -0.2436 -0.1183 -0.1183 0.1289 0.1289 0.2033 0.2033 0.3546 0.3546 0.5192 0.5192 0.9429 0.9429 5.2168 5.2168 5.6155 5.6155 5.6918 5.6918 6.0049 6.0049 7.3639 7.3639 k = 0.1158 0.1996 0.4643 ( 10866 PWs) bands (ev): -13.6583 -13.6583 -13.5339 -13.5339 -12.8092 -12.8092 -12.8069 -12.8069 -12.7392 -12.7392 -12.7345 -12.7345 -6.5536 -6.5536 -5.1558 -5.1558 -2.9523 -2.9523 -2.8131 -2.8131 -2.5273 -2.5273 -2.4310 -2.4310 -2.2581 -2.2581 -1.1070 -1.1070 -0.7253 -0.7253 -0.6467 -0.6467 -0.4595 -0.4595 -0.3037 -0.3037 -0.2300 -0.2300 -0.1037 -0.1037 0.1118 0.1118 0.2089 0.2089 0.3466 0.3466 0.5224 0.5224 0.9428 0.9428 5.1980 5.1980 5.6310 5.6310 5.6897 5.6897 5.9942 5.9942 7.3599 7.3599 k = 0.1052 0.1815 0.4643 ( 10862 PWs) bands (ev): -13.6625 -13.6625 -13.5396 -13.5396 -12.8033 -12.8033 -12.8023 -12.8023 -12.7365 -12.7365 -12.7337 -12.7337 -6.5564 -6.5564 -5.1609 -5.1609 -2.9531 -2.9531 -2.8216 -2.8216 -2.5348 -2.5348 -2.4383 -2.4383 -2.2672 -2.2672 -1.1144 -1.1144 -0.7151 -0.7151 -0.6319 -0.6319 -0.4510 -0.4510 -0.2962 -0.2962 -0.2266 -0.2266 -0.0807 -0.0807 0.0947 0.0947 0.2159 0.2159 0.3418 0.3418 0.5267 0.5267 0.9426 0.9426 5.1784 5.1784 5.6409 5.6409 5.6903 5.6903 5.9803 5.9803 7.3537 7.3537 k = 0.0947 0.1633 0.4643 ( 10856 PWs) bands (ev): -13.6666 -13.6666 -13.5448 -13.5448 -12.7999 -12.7999 -12.7958 -12.7958 -12.7343 -12.7343 -12.7331 -12.7331 -6.5590 -6.5590 -5.1655 -5.1655 -2.9553 -2.9553 -2.8281 -2.8281 -2.5423 -2.5423 -2.4455 -2.4455 -2.2752 -2.2752 -1.1213 -1.1213 -0.7046 -0.7046 -0.6160 -0.6160 -0.4450 -0.4450 -0.2913 -0.2913 -0.2296 -0.2296 -0.0550 -0.0550 0.0792 0.0792 0.2232 0.2232 0.3406 0.3406 0.5317 0.5317 0.9424 0.9424 5.1582 5.1582 5.6423 5.6423 5.6967 5.6967 5.9638 5.9638 7.3468 7.3468 k = 0.0842 0.1452 0.4643 ( 10856 PWs) bands (ev): -13.6703 -13.6703 -13.5497 -13.5497 -12.7968 -12.7968 -12.7893 -12.7893 -12.7328 -12.7328 -12.7322 -12.7322 -6.5615 -6.5615 -5.1697 -5.1697 -2.9589 -2.9589 -2.8324 -2.8324 -2.5495 -2.5495 -2.4525 -2.4525 -2.2823 -2.2823 -1.1279 -1.1279 -0.6938 -0.6938 -0.5992 -0.5992 -0.4423 -0.4423 -0.2886 -0.2886 -0.2345 -0.2345 -0.0341 -0.0341 0.0687 0.0687 0.2301 0.2301 0.3427 0.3427 0.5374 0.5374 0.9423 0.9423 5.1380 5.1380 5.6375 5.6375 5.7075 5.7075 5.9456 5.9456 7.3395 7.3395 k = 0.0737 0.1270 0.4643 ( 10860 PWs) bands (ev): -13.6737 -13.6737 -13.5540 -13.5540 -12.7939 -12.7939 -12.7832 -12.7832 -12.7324 -12.7324 -12.7308 -12.7308 -6.5637 -6.5637 -5.1734 -5.1734 -2.9637 -2.9637 -2.8348 -2.8348 -2.5565 -2.5565 -2.4591 -2.4591 -2.2884 -2.2884 -1.1339 -1.1339 -0.6825 -0.6825 -0.5823 -0.5823 -0.4436 -0.4436 -0.2879 -0.2879 -0.2380 -0.2380 -0.0254 -0.0254 0.0684 0.0684 0.2365 0.2365 0.3478 0.3478 0.5432 0.5432 0.9423 0.9423 5.1182 5.1182 5.6299 5.6299 5.7195 5.7195 5.9266 5.9266 7.3323 7.3323 k = 0.0631 0.1089 0.4643 ( 10850 PWs) bands (ev): -13.6767 -13.6767 -13.5578 -13.5578 -12.7914 -12.7914 -12.7775 -12.7775 -12.7321 -12.7321 -12.7297 -12.7297 -6.5657 -6.5657 -5.1767 -5.1767 -2.9691 -2.9691 -2.8355 -2.8355 -2.5631 -2.5631 -2.4651 -2.4651 -2.2935 -2.2935 -1.1392 -1.1392 -0.6705 -0.6705 -0.5661 -0.5661 -0.4484 -0.4484 -0.2902 -0.2902 -0.2373 -0.2373 -0.0312 -0.0312 0.0790 0.0790 0.2422 0.2422 0.3549 0.3549 0.5491 0.5491 0.9424 0.9424 5.0995 5.0995 5.6216 5.6216 5.7310 5.7310 5.9078 5.9078 7.3255 7.3255 k = 0.0526 0.0907 0.4643 ( 10846 PWs) bands (ev): -13.6794 -13.6794 -13.5611 -13.5611 -12.7892 -12.7892 -12.7723 -12.7723 -12.7318 -12.7318 -12.7290 -12.7290 -6.5675 -6.5675 -5.1795 -5.1795 -2.9747 -2.9747 -2.8352 -2.8352 -2.5692 -2.5692 -2.4704 -2.4704 -2.2976 -2.2976 -1.1438 -1.1438 -0.6578 -0.6578 -0.5521 -0.5521 -0.4551 -0.4551 -0.2959 -0.2959 -0.2313 -0.2313 -0.0456 -0.0456 0.0942 0.0942 0.2473 0.2473 0.3632 0.3632 0.5546 0.5546 0.9427 0.9427 5.0824 5.0824 5.6136 5.6136 5.7414 5.7414 5.8900 5.8900 7.3192 7.3192 k = 0.0421 0.0726 0.4643 ( 10843 PWs) bands (ev): -13.6816 -13.6816 -13.5638 -13.5638 -12.7873 -12.7873 -12.7677 -12.7677 -12.7317 -12.7317 -12.7286 -12.7286 -6.5689 -6.5689 -5.1817 -5.1817 -2.9799 -2.9799 -2.8342 -2.8342 -2.5744 -2.5744 -2.4749 -2.4749 -2.3010 -2.3010 -1.1477 -1.1477 -0.6444 -0.6444 -0.5427 -0.5427 -0.4608 -0.4608 -0.3041 -0.3041 -0.2209 -0.2209 -0.0635 -0.0635 0.1088 0.1088 0.2517 0.2517 0.3718 0.3718 0.5595 0.5595 0.9430 0.9430 5.0674 5.0674 5.6066 5.6066 5.7502 5.7502 5.8742 5.8742 7.3138 7.3138 k = 0.0316 0.0544 0.4643 ( 10840 PWs) bands (ev): -13.6833 -13.6833 -13.5659 -13.5659 -12.7858 -12.7858 -12.7639 -12.7639 -12.7316 -12.7316 -12.7285 -12.7285 -6.5701 -6.5701 -5.1835 -5.1835 -2.9843 -2.9843 -2.8330 -2.8330 -2.5788 -2.5788 -2.4784 -2.4784 -2.3035 -2.3035 -1.1507 -1.1507 -0.6303 -0.6303 -0.5409 -0.5409 -0.4623 -0.4623 -0.3133 -0.3133 -0.2074 -0.2074 -0.0827 -0.0827 0.1208 0.1208 0.2554 0.2554 0.3797 0.3797 0.5635 0.5635 0.9434 0.9434 5.0552 5.0552 5.6009 5.6009 5.7572 5.7572 5.8610 5.8610 7.3094 7.3094 k = 0.0210 0.0363 0.4643 ( 10858 PWs) bands (ev): -13.6846 -13.6846 -13.5674 -13.5674 -12.7848 -12.7848 -12.7610 -12.7610 -12.7316 -12.7316 -12.7286 -12.7286 -6.5709 -6.5709 -5.1848 -5.1848 -2.9877 -2.9877 -2.8319 -2.8319 -2.5820 -2.5820 -2.4810 -2.4810 -2.3053 -2.3053 -1.1529 -1.1529 -0.6162 -0.6162 -0.5467 -0.5467 -0.4591 -0.4591 -0.3219 -0.3219 -0.1924 -0.1924 -0.1017 -0.1017 0.1294 0.1294 0.2581 0.2581 0.3860 0.3860 0.5665 0.5665 0.9437 0.9437 5.0461 5.0461 5.5966 5.5966 5.7623 5.7623 5.8511 5.8511 7.3062 7.3062 k = 0.0105 0.0181 0.4643 ( 10868 PWs) bands (ev): -13.6853 -13.6853 -13.5683 -13.5683 -12.7841 -12.7841 -12.7592 -12.7592 -12.7315 -12.7315 -12.7287 -12.7287 -6.5714 -6.5714 -5.1856 -5.1856 -2.9898 -2.9898 -2.8311 -2.8311 -2.5840 -2.5840 -2.4825 -2.4825 -2.3064 -2.3064 -1.1543 -1.1543 -0.6035 -0.6035 -0.5560 -0.5560 -0.4547 -0.4547 -0.3282 -0.3282 -0.1781 -0.1781 -0.1183 -0.1183 0.1346 0.1346 0.2598 0.2598 0.3901 0.3901 0.5684 0.5684 0.9439 0.9439 5.0406 5.0406 5.5940 5.5940 5.7653 5.7653 5.8450 5.8450 7.3042 7.3042 k = 0.0000 0.0000 0.4643 ( 10864 PWs) bands (ev): -13.6856 -13.6856 -13.5686 -13.5686 -12.7839 -12.7839 -12.7586 -12.7586 -12.7315 -12.7315 -12.7288 -12.7288 -6.5716 -6.5716 -5.1858 -5.1858 -2.9905 -2.9905 -2.8308 -2.8308 -2.5847 -2.5847 -2.4830 -2.4830 -2.3067 -2.3067 -1.1547 -1.1547 -0.5973 -0.5973 -0.5613 -0.5613 -0.4528 -0.4528 -0.3306 -0.3306 -0.1709 -0.1709 -0.1264 -0.1264 0.1363 0.1363 0.2604 0.2604 0.3915 0.3915 0.5690 0.5690 0.9440 0.9440 5.0387 5.0387 5.5932 5.5932 5.7664 5.7664 5.8429 5.8429 7.3035 7.3035 k = 0.0000 0.0000 0.4643 ( 10864 PWs) bands (ev): -13.6856 -13.6856 -13.5686 -13.5686 -12.7839 -12.7839 -12.7586 -12.7586 -12.7315 -12.7315 -12.7288 -12.7288 -6.5716 -6.5716 -5.1858 -5.1858 -2.9905 -2.9905 -2.8308 -2.8308 -2.5847 -2.5847 -2.4830 -2.4830 -2.3067 -2.3067 -1.1547 -1.1547 -0.5973 -0.5973 -0.5613 -0.5613 -0.4528 -0.4528 -0.3306 -0.3306 -0.1709 -0.1709 -0.1264 -0.1264 0.1363 0.1363 0.2604 0.2604 0.3915 0.3915 0.5690 0.5690 0.9440 0.9440 5.0387 5.0387 5.5932 5.5932 5.7664 5.7664 5.8429 5.8429 7.3035 7.3035 k = 0.0179-0.0104 0.4643 ( 10868 PWs) bands (ev): -13.6853 -13.6853 -13.5683 -13.5683 -12.7841 -12.7841 -12.7587 -12.7587 -12.7319 -12.7319 -12.7289 -12.7289 -6.5714 -6.5714 -5.1854 -5.1854 -2.9903 -2.9903 -2.8301 -2.8301 -2.5843 -2.5843 -2.4828 -2.4828 -2.3066 -2.3066 -1.1542 -1.1542 -0.6001 -0.6001 -0.5595 -0.5595 -0.4525 -0.4525 -0.3316 -0.3316 -0.1713 -0.1713 -0.1237 -0.1237 0.1347 0.1347 0.2600 0.2600 0.3901 0.3901 0.5676 0.5676 0.9440 0.9440 5.0410 5.0410 5.5932 5.5932 5.7669 5.7669 5.8452 5.8452 7.3039 7.3039 k = 0.0357-0.0207 0.4643 ( 10860 PWs) bands (ev): -13.6846 -13.6846 -13.5674 -13.5674 -12.7848 -12.7848 -12.7590 -12.7590 -12.7329 -12.7329 -12.7293 -12.7293 -6.5710 -6.5710 -5.1842 -5.1842 -2.9896 -2.9896 -2.8280 -2.8280 -2.5832 -2.5832 -2.4823 -2.4823 -2.3062 -2.3062 -1.1527 -1.1527 -0.6070 -0.6070 -0.5557 -0.5557 -0.4514 -0.4514 -0.3349 -0.3349 -0.1721 -0.1721 -0.1164 -0.1164 0.1297 0.1297 0.2588 0.2588 0.3859 0.3859 0.5633 0.5633 0.9438 0.9438 5.0481 5.0481 5.5935 5.5935 5.7686 5.7686 5.8520 5.8520 7.3050 7.3050 k = 0.0536-0.0311 0.4643 ( 10858 PWs) bands (ev): -13.6834 -13.6834 -13.5658 -13.5658 -12.7859 -12.7859 -12.7595 -12.7595 -12.7345 -12.7345 -12.7299 -12.7299 -6.5703 -6.5703 -5.1821 -5.1821 -2.9885 -2.9885 -2.8244 -2.8244 -2.5815 -2.5815 -2.4813 -2.4813 -2.3055 -2.3055 -1.1503 -1.1503 -0.6161 -0.6161 -0.5522 -0.5522 -0.4492 -0.4492 -0.3404 -0.3404 -0.1719 -0.1719 -0.1058 -0.1058 0.1215 0.1215 0.2566 0.2566 0.3796 0.3796 0.5563 0.5563 0.9434 0.9434 5.0595 5.0595 5.5939 5.5939 5.7715 5.7715 5.8629 5.8629 7.3070 7.3070 k = 0.0714-0.0414 0.4643 ( 10866 PWs) bands (ev): -13.6818 -13.6818 -13.5637 -13.5637 -12.7875 -12.7875 -12.7603 -12.7603 -12.7368 -12.7368 -12.7308 -12.7308 -6.5693 -6.5693 -5.1792 -5.1792 -2.9870 -2.9870 -2.8194 -2.8194 -2.5794 -2.5794 -2.4798 -2.4798 -2.3044 -2.3044 -1.1469 -1.1469 -0.6265 -0.6265 -0.5503 -0.5503 -0.4453 -0.4453 -0.3481 -0.3481 -0.1701 -0.1701 -0.0931 -0.0931 0.1102 0.1102 0.2530 0.2530 0.3718 0.3718 0.5469 0.5469 0.9430 0.9430 5.0751 5.0751 5.5944 5.5944 5.7756 5.7756 5.8775 5.8775 7.3102 7.3102 k = 0.0893-0.0518 0.4643 ( 10866 PWs) bands (ev): -13.6797 -13.6797 -13.5609 -13.5609 -12.7894 -12.7894 -12.7613 -12.7613 -12.7396 -12.7396 -12.7318 -12.7318 -6.5681 -6.5681 -5.1756 -5.1756 -2.9851 -2.9851 -2.8129 -2.8129 -2.5770 -2.5770 -2.4777 -2.4777 -2.3028 -2.3028 -1.1426 -1.1426 -0.6378 -0.6378 -0.5510 -0.5510 -0.4395 -0.4395 -0.3578 -0.3578 -0.1665 -0.1665 -0.0792 -0.0792 0.0960 0.0960 0.2476 0.2476 0.3636 0.3636 0.5353 0.5353 0.9425 0.9425 5.0942 5.0942 5.5952 5.5952 5.7811 5.7811 5.8950 5.8950 7.3149 7.3149 k = 0.1071-0.0621 0.4643 ( 10872 PWs) bands (ev): -13.6772 -13.6772 -13.5576 -13.5576 -12.7917 -12.7917 -12.7626 -12.7626 -12.7430 -12.7430 -12.7332 -12.7332 -6.5666 -6.5666 -5.1712 -5.1712 -2.9830 -2.9830 -2.8049 -2.8049 -2.5747 -2.5747 -2.4749 -2.4749 -2.3006 -2.3006 -1.1374 -1.1374 -0.6497 -0.6497 -0.5543 -0.5543 -0.4320 -0.4320 -0.3691 -0.3691 -0.1612 -0.1612 -0.0655 -0.0655 0.0799 0.0799 0.2401 0.2401 0.3561 0.3561 0.5219 0.5219 0.9418 0.9418 5.1163 5.1163 5.5962 5.5962 5.7878 5.7878 5.9148 5.9148 7.3215 7.3215 k = 0.1250-0.0725 0.4643 ( 10868 PWs) bands (ev): -13.6743 -13.6743 -13.5537 -13.5537 -12.7944 -12.7944 -12.7642 -12.7642 -12.7468 -12.7468 -12.7347 -12.7347 -6.5648 -6.5648 -5.1661 -5.1661 -2.9805 -2.9805 -2.7954 -2.7954 -2.5728 -2.5728 -2.4712 -2.4712 -2.2978 -2.2978 -1.1315 -1.1315 -0.6622 -0.6622 -0.5600 -0.5600 -0.4238 -0.4238 -0.3811 -0.3811 -0.1548 -0.1548 -0.0543 -0.0543 0.0642 0.0642 0.2303 0.2303 0.3500 0.3500 0.5072 0.5072 0.9411 0.9411 5.1406 5.1406 5.5974 5.5974 5.7956 5.7956 5.9362 5.9362 7.3302 7.3302 k = 0.1429-0.0828 0.4643 ( 10872 PWs) bands (ev): -13.6711 -13.6711 -13.5493 -13.5493 -12.7974 -12.7974 -12.7662 -12.7662 -12.7509 -12.7509 -12.7365 -12.7365 -6.5629 -6.5629 -5.1603 -5.1603 -2.9778 -2.9778 -2.7846 -2.7846 -2.5716 -2.5716 -2.4666 -2.4666 -2.2943 -2.2943 -1.1248 -1.1248 -0.6754 -0.6754 -0.5678 -0.5678 -0.4183 -0.4183 -0.3903 -0.3903 -0.1482 -0.1482 -0.0500 -0.0500 0.0534 0.0534 0.2183 0.2183 0.3459 0.3459 0.4917 0.4917 0.9403 0.9403 5.1665 5.1665 5.5989 5.5989 5.8046 5.8046 5.9583 5.9583 7.3413 7.3413 k = 0.1607-0.0932 0.4643 ( 10874 PWs) bands (ev): -13.6675 -13.6675 -13.5444 -13.5444 -12.8006 -12.8006 -12.7689 -12.7689 -12.7549 -12.7549 -12.7384 -12.7384 -6.5607 -6.5607 -5.1539 -5.1539 -2.9749 -2.9749 -2.7725 -2.7725 -2.5711 -2.5711 -2.4610 -2.4610 -2.2900 -2.2900 -1.1175 -1.1175 -0.6893 -0.6893 -0.5773 -0.5773 -0.4235 -0.4235 -0.3885 -0.3885 -0.1434 -0.1434 -0.0564 -0.0564 0.0529 0.0529 0.2046 0.2046 0.3439 0.3439 0.4759 0.4759 0.9395 0.9395 5.1930 5.1930 5.6007 5.6007 5.8145 5.8145 5.9803 5.9803 7.3549 7.3549 k = 0.1786-0.1035 0.4643 ( 10880 PWs) bands (ev): -13.6636 -13.6636 -13.5391 -13.5391 -12.8041 -12.8041 -12.7725 -12.7725 -12.7586 -12.7586 -12.7405 -12.7405 -6.5583 -6.5583 -5.1470 -5.1470 -2.9716 -2.9716 -2.7592 -2.7592 -2.5715 -2.5715 -2.4545 -2.4545 -2.2849 -2.2849 -1.1098 -1.1098 -0.7039 -0.7039 -0.5881 -0.5881 -0.4368 -0.4368 -0.3785 -0.3785 -0.1449 -0.1449 -0.0691 -0.0691 0.0622 0.0622 0.1897 0.1897 0.3441 0.3441 0.4605 0.4605 0.9386 0.9386 5.2193 5.2193 5.6030 5.6030 5.8253 5.8253 6.0016 6.0016 7.3710 7.3710 k = 0.1964-0.1139 0.4643 ( 10876 PWs) bands (ev): -13.6594 -13.6594 -13.5334 -13.5334 -12.8078 -12.8078 -12.7772 -12.7772 -12.7618 -12.7618 -12.7428 -12.7428 -6.5558 -6.5558 -5.1397 -5.1397 -2.9681 -2.9681 -2.7448 -2.7448 -2.5729 -2.5729 -2.4472 -2.4472 -2.2790 -2.2790 -1.1016 -1.1016 -0.7192 -0.7192 -0.6000 -0.6000 -0.4521 -0.4521 -0.3662 -0.3662 -0.1596 -0.1596 -0.0771 -0.0771 0.0763 0.0763 0.1743 0.1743 0.3463 0.3463 0.4461 0.4461 0.9376 0.9376 5.2446 5.2446 5.6058 5.6058 5.8367 5.8367 6.0213 6.0213 7.3893 7.3893 k = 0.2143-0.1243 0.4643 ( 10876 PWs) bands (ev): -13.6551 -13.6551 -13.5274 -13.5274 -12.8117 -12.8117 -12.7828 -12.7828 -12.7644 -12.7644 -12.7452 -12.7452 -6.5532 -6.5532 -5.1319 -5.1319 -2.9642 -2.9642 -2.7296 -2.7296 -2.5750 -2.5750 -2.4394 -2.4394 -2.2723 -2.2723 -1.0932 -1.0932 -0.7352 -0.7352 -0.6128 -0.6128 -0.4677 -0.4677 -0.3532 -0.3532 -0.1878 -0.1878 -0.0768 -0.0768 0.0911 0.0911 0.1595 0.1595 0.3503 0.3503 0.4336 0.4336 0.9366 0.9366 5.2682 5.2682 5.6091 5.6091 5.8486 5.8486 6.0389 6.0389 7.4086 7.4086 k = 0.2321-0.1346 0.4643 ( 10866 PWs) bands (ev): -13.6505 -13.6505 -13.5211 -13.5211 -12.8157 -12.8157 -12.7891 -12.7891 -12.7667 -12.7667 -12.7477 -12.7477 -6.5504 -6.5504 -5.1239 -5.1239 -2.9599 -2.9599 -2.7137 -2.7137 -2.5778 -2.5778 -2.4313 -2.4313 -2.2650 -2.2650 -1.0848 -1.0848 -0.7517 -0.7517 -0.6260 -0.6260 -0.4830 -0.4830 -0.3405 -0.3405 -0.2230 -0.2230 -0.0725 -0.0725 0.1019 0.1019 0.1478 0.1478 0.3562 0.3562 0.4238 0.4238 0.9356 0.9356 5.2893 5.2893 5.6131 5.6131 5.8608 5.8608 6.0540 6.0540 7.4209 7.4209 k = 0.2500-0.1450 0.4643 ( 10876 PWs) bands (ev): -13.6459 -13.6459 -13.5146 -13.5146 -12.8198 -12.8198 -12.7958 -12.7958 -12.7687 -12.7687 -12.7502 -12.7502 -6.5476 -6.5476 -5.1157 -5.1157 -2.9553 -2.9553 -2.6975 -2.6975 -2.5811 -2.5811 -2.4232 -2.4232 -2.2570 -2.2570 -1.0766 -1.0766 -0.7686 -0.7686 -0.6397 -0.6397 -0.4977 -0.4977 -0.3304 -0.3304 -0.2589 -0.2589 -0.0676 -0.0676 0.1021 0.1021 0.1448 0.1448 0.3638 0.3638 0.4177 0.4177 0.9345 0.9345 5.3075 5.3075 5.6176 5.6176 5.8732 5.8732 6.0662 6.0662 7.4110 7.4110 k = 0.2679-0.1553 0.4643 ( 10872 PWs) bands (ev): -13.6412 -13.6412 -13.5080 -13.5080 -12.8239 -12.8239 -12.8029 -12.8029 -12.7706 -12.7706 -12.7528 -12.7528 -6.5448 -6.5448 -5.1073 -5.1073 -2.9502 -2.9502 -2.6812 -2.6812 -2.5845 -2.5845 -2.4153 -2.4153 -2.2484 -2.2484 -1.0688 -1.0688 -0.7857 -0.7857 -0.6534 -0.6534 -0.5115 -0.5115 -0.3335 -0.3335 -0.2827 -0.2827 -0.0636 -0.0636 0.0917 0.0917 0.1493 0.1493 0.3729 0.3729 0.4160 0.4160 0.9334 0.9334 5.3225 5.3225 5.6225 5.6225 5.8856 5.8856 6.0753 6.0753 7.3920 7.3920 k = 0.2857-0.1657 0.4643 ( 10882 PWs) bands (ev): -13.6365 -13.6365 -13.5013 -13.5013 -12.8280 -12.8280 -12.8101 -12.8101 -12.7724 -12.7724 -12.7554 -12.7554 -6.5419 -6.5419 -5.0990 -5.0990 -2.9447 -2.9447 -2.6653 -2.6653 -2.5879 -2.5879 -2.4079 -2.4079 -2.2394 -2.2394 -1.0618 -1.0618 -0.8025 -0.8025 -0.6670 -0.6670 -0.5246 -0.5246 -0.3619 -0.3619 -0.2807 -0.2807 -0.0612 -0.0612 0.0776 0.0776 0.1538 0.1538 0.3837 0.3837 0.4190 0.4190 0.9322 0.9322 5.3342 5.3342 5.6275 5.6275 5.8979 5.8979 6.0815 6.0815 7.3725 7.3725 k = 0.3036-0.1760 0.4643 ( 10874 PWs) bands (ev): -13.6318 -13.6318 -13.4946 -13.4946 -12.8320 -12.8320 -12.8173 -12.8173 -12.7740 -12.7740 -12.7579 -12.7579 -6.5391 -6.5391 -5.0908 -5.0908 -2.9389 -2.9389 -2.6503 -2.6503 -2.5907 -2.5907 -2.4013 -2.4013 -2.2301 -2.2301 -1.0556 -1.0556 -0.8187 -0.8187 -0.6804 -0.6804 -0.5369 -0.5369 -0.3988 -0.3988 -0.2688 -0.2688 -0.0607 -0.0607 0.0628 0.0628 0.1550 0.1550 0.3963 0.3963 0.4265 0.4265 0.9310 0.9310 5.3428 5.3428 5.6326 5.6326 5.9098 5.9098 6.0849 6.0849 7.3547 7.3547 k = 0.3214-0.1864 0.4643 ( 10874 PWs) bands (ev): -13.6273 -13.6273 -13.4880 -13.4880 -12.8359 -12.8359 -12.8245 -12.8245 -12.7756 -12.7756 -12.7604 -12.7604 -6.5364 -6.5364 -5.0828 -5.0828 -2.9327 -2.9327 -2.6372 -2.6372 -2.5920 -2.5920 -2.3956 -2.3956 -2.2204 -2.2204 -1.0508 -1.0508 -0.8340 -0.8340 -0.6934 -0.6934 -0.5485 -0.5485 -0.4356 -0.4356 -0.2546 -0.2546 -0.0622 -0.0622 0.0484 0.0484 0.1525 0.1525 0.4108 0.4108 0.4372 0.4372 0.9296 0.9296 5.3486 5.3486 5.6372 5.6372 5.9212 5.9212 6.0857 6.0857 7.3391 7.3391 k = 0.3393-0.1967 0.4643 ( 10880 PWs) bands (ev): -13.6230 -13.6230 -13.4817 -13.4817 -12.8396 -12.8396 -12.8314 -12.8314 -12.7770 -12.7770 -12.7627 -12.7627 -6.5337 -6.5337 -5.0752 -5.0752 -2.9263 -2.9263 -2.6278 -2.6278 -2.5903 -2.5903 -2.3910 -2.3910 -2.2107 -2.2107 -1.0475 -1.0475 -0.8479 -0.8479 -0.7057 -0.7057 -0.5597 -0.5597 -0.4697 -0.4697 -0.2396 -0.2396 -0.0653 -0.0653 0.0349 0.0349 0.1467 0.1467 0.4268 0.4268 0.4500 0.4500 0.9282 0.9282 5.3519 5.3519 5.6413 5.6413 5.9320 5.9320 6.0843 6.0843 7.3262 7.3262 k = 0.3571-0.2071 0.4643 ( 10884 PWs) bands (ev): -13.6189 -13.6189 -13.4756 -13.4756 -12.8432 -12.8432 -12.8380 -12.8380 -12.7784 -12.7784 -12.7649 -12.7649 -6.5313 -6.5313 -5.0680 -5.0680 -2.9198 -2.9198 -2.6233 -2.6233 -2.5843 -2.5843 -2.3875 -2.3875 -2.2009 -2.2009 -1.0459 -1.0459 -0.8601 -0.8601 -0.7174 -0.7174 -0.5709 -0.5709 -0.4998 -0.4998 -0.2244 -0.2244 -0.0699 -0.0699 0.0225 0.0225 0.1382 0.1382 0.4438 0.4438 0.4637 0.4637 0.9268 0.9268 5.3533 5.3533 5.6446 5.6446 5.9421 5.9421 6.0812 6.0812 7.3160 7.3160 k = 0.3750-0.2174 0.4643 ( 10878 PWs) bands (ev): -13.6152 -13.6152 -13.4700 -13.4700 -12.8464 -12.8464 -12.8442 -12.8442 -12.7796 -12.7796 -12.7669 -12.7669 -6.5290 -6.5290 -5.0614 -5.0614 -2.9133 -2.9133 -2.6228 -2.6228 -2.5753 -2.5753 -2.3851 -2.3851 -2.1913 -2.1913 -1.0460 -1.0460 -0.8705 -0.8705 -0.7282 -0.7282 -0.5828 -0.5828 -0.5246 -0.5246 -0.2093 -0.2093 -0.0755 -0.0755 0.0114 0.0114 0.1280 0.1280 0.4610 0.4610 0.4776 0.4776 0.9252 0.9252 5.3532 5.3532 5.6471 5.6471 5.9513 5.9513 6.0769 6.0769 7.3084 7.3084 k = 0.3929-0.2278 0.4643 ( 10888 PWs) bands (ev): -13.6118 -13.6118 -13.4648 -13.4648 -12.8498 -12.8498 -12.8493 -12.8493 -12.7806 -12.7806 -12.7687 -12.7687 -6.5270 -6.5270 -5.0554 -5.0554 -2.9070 -2.9070 -2.6240 -2.6240 -2.5656 -2.5656 -2.3837 -2.3837 -2.1822 -2.1822 -1.0478 -1.0478 -0.8790 -0.8790 -0.7381 -0.7381 -0.5956 -0.5956 -0.5432 -0.5432 -0.1945 -0.1945 -0.0817 -0.0817 0.0018 0.0018 0.1168 0.1168 0.4775 0.4775 0.4909 0.4909 0.9237 0.9237 5.3520 5.3520 5.6489 5.6489 5.9595 5.9595 6.0719 6.0719 7.2910 7.2910 k = 0.4107-0.2382 0.4643 ( 10890 PWs) bands (ev): -13.6088 -13.6088 -13.4603 -13.4603 -12.8548 -12.8548 -12.8519 -12.8519 -12.7816 -12.7816 -12.7702 -12.7702 -6.5252 -6.5252 -5.0502 -5.0502 -2.9012 -2.9012 -2.6258 -2.6258 -2.5563 -2.5563 -2.3832 -2.3832 -2.1737 -2.1737 -1.0509 -1.0509 -0.8856 -0.8856 -0.7469 -0.7469 -0.6090 -0.6090 -0.5562 -0.5562 -0.1803 -0.1803 -0.0880 -0.0880 -0.0063 -0.0063 0.1053 0.1053 0.4927 0.4927 0.5032 0.5032 0.9222 0.9222 5.3502 5.3502 5.6500 5.6500 5.9666 5.9666 6.0667 6.0667 7.2595 7.2595 k = 0.4286-0.2485 0.4643 ( 10882 PWs) bands (ev): -13.6063 -13.6063 -13.4564 -13.4564 -12.8590 -12.8590 -12.8541 -12.8541 -12.7823 -12.7823 -12.7715 -12.7715 -6.5237 -6.5237 -5.0458 -5.0458 -2.8960 -2.8960 -2.6276 -2.6276 -2.5483 -2.5483 -2.3833 -2.3833 -2.1662 -2.1662 -1.0546 -1.0546 -0.8906 -0.8906 -0.7545 -0.7545 -0.6213 -0.6213 -0.5649 -0.5649 -0.1671 -0.1671 -0.0942 -0.0942 -0.0127 -0.0127 0.0942 0.0942 0.5059 0.5059 0.5139 0.5139 0.9208 0.9208 5.3482 5.3482 5.6506 5.6506 5.9725 5.9725 6.0617 6.0617 7.2333 7.2333 k = 0.4464-0.2589 0.4643 ( 10888 PWs) bands (ev): -13.6043 -13.6043 -13.4533 -13.4533 -12.8624 -12.8624 -12.8558 -12.8558 -12.7829 -12.7829 -12.7726 -12.7726 -6.5225 -6.5225 -5.0423 -5.0423 -2.8916 -2.8916 -2.6292 -2.6292 -2.5419 -2.5419 -2.3837 -2.3837 -2.1599 -2.1599 -1.0585 -1.0585 -0.8940 -0.8940 -0.7607 -0.7607 -0.6315 -0.6315 -0.5707 -0.5707 -0.1553 -0.1553 -0.1001 -0.1001 -0.0175 -0.0175 0.0841 0.0841 0.5166 0.5166 0.5227 0.5227 0.9196 0.9196 5.3462 5.3462 5.6508 5.6508 5.9772 5.9772 6.0574 6.0574 7.2125 7.2125 k = 0.4643-0.2692 0.4643 ( 10902 PWs) bands (ev): -13.6028 -13.6028 -13.4510 -13.4510 -12.8648 -12.8648 -12.8571 -12.8571 -12.7834 -12.7834 -12.7733 -12.7733 -6.5216 -6.5216 -5.0398 -5.0398 -2.8884 -2.8884 -2.6304 -2.6304 -2.5371 -2.5371 -2.3843 -2.3843 -2.1552 -2.1552 -1.0619 -1.0619 -0.8962 -0.8962 -0.7653 -0.7653 -0.6389 -0.6389 -0.5744 -0.5744 -0.1454 -0.1454 -0.1054 -0.1054 -0.0207 -0.0207 0.0761 0.0761 0.5244 0.5244 0.5294 0.5294 0.9187 0.9187 5.3446 5.3446 5.6509 5.6509 5.9805 5.9805 6.0540 6.0540 7.1974 7.1974 k = 0.4821-0.2796 0.4643 ( 10898 PWs) bands (ev): -13.6019 -13.6019 -13.4497 -13.4497 -12.8663 -12.8663 -12.8579 -12.8579 -12.7836 -12.7836 -12.7738 -12.7738 -6.5211 -6.5211 -5.0382 -5.0382 -2.8863 -2.8863 -2.6311 -2.6311 -2.5342 -2.5342 -2.3847 -2.3847 -2.1523 -2.1523 -1.0642 -1.0642 -0.8974 -0.8974 -0.7682 -0.7682 -0.6434 -0.6434 -0.5764 -0.5764 -0.1381 -0.1381 -0.1098 -0.1098 -0.0225 -0.0225 0.0707 0.0707 0.5291 0.5291 0.5336 0.5336 0.9181 0.9181 5.3436 5.3436 5.6508 5.6508 5.9825 5.9825 6.0520 6.0520 7.1884 7.1884 k = 0.5000-0.2899 0.4643 ( 10902 PWs) bands (ev): -13.6016 -13.6016 -13.4492 -13.4492 -12.8668 -12.8668 -12.8581 -12.8581 -12.7837 -12.7837 -12.7739 -12.7739 -6.5209 -6.5209 -5.0377 -5.0377 -2.8856 -2.8856 -2.6314 -2.6314 -2.5333 -2.5333 -2.3849 -2.3849 -2.1513 -2.1513 -1.0650 -1.0650 -0.8978 -0.8978 -0.7692 -0.7692 -0.6449 -0.6449 -0.5771 -0.5771 -0.1352 -0.1352 -0.1117 -0.1117 -0.0230 -0.0230 0.0689 0.0689 0.5306 0.5306 0.5350 0.5350 0.9179 0.9179 5.3432 5.3432 5.6508 5.6508 5.9832 5.9832 6.0512 6.0512 7.1853 7.1853 k = 0.5000-0.2899 0.4643 ( 10902 PWs) bands (ev): -13.6016 -13.6016 -13.4492 -13.4492 -12.8668 -12.8668 -12.8581 -12.8581 -12.7837 -12.7837 -12.7739 -12.7739 -6.5209 -6.5209 -5.0377 -5.0377 -2.8856 -2.8856 -2.6314 -2.6314 -2.5333 -2.5333 -2.3849 -2.3849 -2.1513 -2.1513 -1.0650 -1.0650 -0.8978 -0.8978 -0.7692 -0.7692 -0.6449 -0.6449 -0.5771 -0.5771 -0.1352 -0.1352 -0.1117 -0.1117 -0.0230 -0.0230 0.0689 0.0689 0.5306 0.5306 0.5350 0.5350 0.9179 0.9179 5.3432 5.3432 5.6508 5.6508 5.9832 5.9832 6.0512 6.0512 7.1853 7.1853 k = 0.5105-0.2717 0.4643 ( 10907 PWs) bands (ev): -13.6016 -13.6016 -13.4491 -13.4491 -12.8669 -12.8669 -12.8578 -12.8578 -12.7848 -12.7848 -12.7733 -12.7733 -6.5209 -6.5209 -5.0375 -5.0375 -2.8851 -2.8851 -2.6304 -2.6304 -2.5348 -2.5348 -2.3841 -2.3841 -2.1516 -2.1516 -1.0654 -1.0654 -0.9009 -0.9009 -0.7656 -0.7656 -0.6509 -0.6509 -0.5713 -0.5713 -0.1400 -0.1400 -0.1073 -0.1073 -0.0248 -0.0248 0.0709 0.0709 0.5281 0.5281 0.5390 0.5390 0.9175 0.9175 5.3418 5.3418 5.6514 5.6514 5.9814 5.9814 6.0490 6.0490 7.1850 7.1850 k = 0.5211-0.2536 0.4643 ( 10904 PWs) bands (ev): -13.6014 -13.6014 -13.4486 -13.4486 -12.8670 -12.8670 -12.8571 -12.8571 -12.7876 -12.7876 -12.7721 -12.7721 -6.5209 -6.5209 -5.0368 -5.0368 -2.8836 -2.8836 -2.6278 -2.6278 -2.5394 -2.5394 -2.3821 -2.3821 -2.1526 -2.1526 -1.0666 -1.0666 -0.9093 -0.9093 -0.7567 -0.7567 -0.6642 -0.6642 -0.5582 -0.5582 -0.1495 -0.1495 -0.0993 -0.0993 -0.0294 -0.0294 0.0763 0.0763 0.5256 0.5256 0.5458 0.5458 0.9162 0.9162 5.3376 5.3376 5.6530 5.6530 5.9763 5.9763 6.0424 6.0424 7.1844 7.1844 k = 0.5316-0.2354 0.4643 ( 10895 PWs) bands (ev): -13.6011 -13.6011 -13.4479 -13.4479 -12.8670 -12.8670 -12.8558 -12.8558 -12.7914 -12.7914 -12.7708 -12.7708 -6.5210 -6.5210 -5.0356 -5.0356 -2.8810 -2.8810 -2.6235 -2.6235 -2.5463 -2.5463 -2.3791 -2.3791 -2.1542 -2.1542 -1.0688 -1.0688 -0.9202 -0.9202 -0.7474 -0.7474 -0.6772 -0.6772 -0.5427 -0.5427 -0.1601 -0.1601 -0.0923 -0.0923 -0.0347 -0.0347 0.0840 0.0840 0.5242 0.5242 0.5541 0.5541 0.9142 0.9142 5.3308 5.3308 5.6558 5.6558 5.9678 5.9678 6.0316 6.0316 7.1836 7.1836 k = 0.5422-0.2172 0.4643 ( 10898 PWs) bands (ev): -13.6007 -13.6007 -13.4469 -13.4469 -12.8670 -12.8670 -12.8542 -12.8542 -12.7957 -12.7957 -12.7700 -12.7700 -6.5210 -6.5210 -5.0340 -5.0340 -2.8774 -2.8774 -2.6180 -2.6180 -2.5549 -2.5549 -2.3757 -2.3757 -2.1564 -2.1564 -1.0719 -1.0719 -0.9319 -0.9319 -0.7461 -0.7461 -0.6811 -0.6811 -0.5270 -0.5270 -0.1708 -0.1708 -0.0894 -0.0894 -0.0374 -0.0374 0.0930 0.0930 0.5240 0.5240 0.5635 0.5635 0.9114 0.9114 5.3217 5.3217 5.6597 5.6597 5.9565 5.9565 6.0169 6.0169 7.1833 7.1833 k = 0.5527-0.1990 0.4643 ( 10908 PWs) bands (ev): -13.6002 -13.6002 -13.4457 -13.4457 -12.8669 -12.8669 -12.8523 -12.8523 -12.8005 -12.8005 -12.7695 -12.7695 -6.5212 -6.5212 -5.0321 -5.0321 -2.8728 -2.8728 -2.6125 -2.6125 -2.5635 -2.5635 -2.3721 -2.3721 -2.1592 -2.1592 -1.0760 -1.0760 -0.9429 -0.9429 -0.7573 -0.7573 -0.6719 -0.6719 -0.5120 -0.5120 -0.1812 -0.1812 -0.0924 -0.0924 -0.0353 -0.0353 0.1026 0.1026 0.5249 0.5249 0.5740 0.5740 0.9078 0.9078 5.3108 5.3108 5.6646 5.6646 5.9428 5.9428 5.9986 5.9986 7.1838 7.1838 k = 0.5633-0.1808 0.4643 ( 10893 PWs) bands (ev): -13.5997 -13.5997 -13.4442 -13.4442 -12.8666 -12.8666 -12.8501 -12.8501 -12.8056 -12.8056 -12.7695 -12.7695 -6.5214 -6.5214 -5.0298 -5.0298 -2.8672 -2.8672 -2.6099 -2.6099 -2.5688 -2.5688 -2.3687 -2.3687 -2.1625 -2.1625 -1.0810 -1.0810 -0.9527 -0.9527 -0.7752 -0.7752 -0.6555 -0.6555 -0.4981 -0.4981 -0.1912 -0.1912 -0.1004 -0.1004 -0.0290 -0.0290 0.1123 0.1123 0.5266 0.5266 0.5852 0.5852 0.9037 0.9037 5.2986 5.2986 5.6706 5.6706 5.9271 5.9271 5.9772 5.9772 7.1853 7.1853 k = 0.5738-0.1626 0.4643 ( 10895 PWs) bands (ev): -13.5992 -13.5992 -13.4425 -13.4425 -12.8661 -12.8661 -12.8477 -12.8477 -12.8110 -12.8110 -12.7700 -12.7700 -6.5217 -6.5217 -5.0273 -5.0273 -2.8607 -2.8607 -2.6142 -2.6142 -2.5666 -2.5666 -2.3659 -2.3659 -2.1663 -2.1663 -1.0867 -1.0867 -0.9611 -0.9611 -0.7951 -0.7951 -0.6369 -0.6369 -0.4855 -0.4855 -0.2007 -0.2007 -0.1110 -0.1110 -0.0206 -0.0206 0.1219 0.1219 0.5290 0.5290 0.5967 0.5967 0.8990 0.8990 5.2856 5.2856 5.6775 5.6775 5.9102 5.9102 5.9533 5.9533 7.1876 7.1876 k = 0.5844-0.1444 0.4643 ( 10895 PWs) bands (ev): -13.5988 -13.5988 -13.4407 -13.4407 -12.8654 -12.8654 -12.8450 -12.8450 -12.8165 -12.8165 -12.7709 -12.7709 -6.5221 -6.5221 -5.0247 -5.0247 -2.8533 -2.8533 -2.6247 -2.6247 -2.5575 -2.5575 -2.3638 -2.3638 -2.1707 -2.1707 -1.0926 -1.0926 -0.9683 -0.9683 -0.8147 -0.8147 -0.6182 -0.6182 -0.4740 -0.4740 -0.2095 -0.2095 -0.1226 -0.1226 -0.0116 -0.0116 0.1313 0.1313 0.5319 0.5319 0.6084 0.6084 0.8938 0.8938 5.2725 5.2725 5.6854 5.6854 5.8923 5.8923 5.9277 5.9277 7.1904 7.1904 k = 0.5949-0.1262 0.4643 ( 10897 PWs) bands (ev): -13.5984 -13.5984 -13.4387 -13.4387 -12.8646 -12.8646 -12.8422 -12.8422 -12.8220 -12.8220 -12.7722 -12.7722 -6.5227 -6.5227 -5.0220 -5.0220 -2.8452 -2.8452 -2.6380 -2.6380 -2.5447 -2.5447 -2.3623 -2.3623 -2.1754 -2.1754 -1.0985 -1.0985 -0.9749 -0.9749 -0.8328 -0.8328 -0.6008 -0.6008 -0.4635 -0.4635 -0.2177 -0.2177 -0.1343 -0.1343 -0.0026 -0.0026 0.1403 0.1403 0.5349 0.5349 0.6198 0.6198 0.8883 0.8883 5.2598 5.2598 5.6940 5.6940 5.8734 5.8734 5.9019 5.9019 7.1930 7.1930 k = 0.6055-0.1080 0.4643 ( 10907 PWs) bands (ev): -13.5982 -13.5982 -13.4366 -13.4366 -12.8635 -12.8635 -12.8391 -12.8391 -12.8275 -12.8275 -12.7739 -12.7739 -6.5235 -6.5235 -5.0192 -5.0192 -2.8366 -2.8366 -2.6523 -2.6523 -2.5299 -2.5299 -2.3617 -2.3617 -2.1805 -2.1805 -1.1038 -1.1038 -0.9812 -0.9812 -0.8487 -0.8487 -0.5854 -0.5854 -0.4536 -0.4536 -0.2251 -0.2251 -0.1457 -0.1457 0.0059 0.0059 0.1491 0.1491 0.5379 0.5379 0.6306 0.6306 0.8825 0.8825 5.2481 5.2481 5.7031 5.7031 5.8523 5.8523 5.8783 5.8783 7.1948 7.1948 k = 0.6160-0.0899 0.4643 ( 10896 PWs) bands (ev): -13.5981 -13.5981 -13.4345 -13.4345 -12.8623 -12.8623 -12.8358 -12.8358 -12.8328 -12.8328 -12.7758 -12.7758 -6.5246 -6.5246 -5.0166 -5.0166 -2.8278 -2.8278 -2.6666 -2.6666 -2.5139 -2.5139 -2.3617 -2.3617 -2.1860 -2.1860 -1.1084 -1.1084 -0.9879 -0.9879 -0.8616 -0.8616 -0.5729 -0.5729 -0.4440 -0.4440 -0.2317 -0.2317 -0.1564 -0.1564 0.0136 0.0136 0.1575 0.1575 0.5406 0.5406 0.6405 0.6405 0.8765 0.8765 5.2381 5.2381 5.7125 5.7125 5.8273 5.8273 5.8599 5.8599 7.1955 7.1955 k = 0.7159 0.0823 0.1310 ( 10892 PWs) bands (ev): -13.6107 -13.6107 -13.4283 -13.4283 -12.8792 -12.8792 -12.8685 -12.8685 -12.7863 -12.7863 -12.7614 -12.7614 -6.5176 -6.5176 -5.0534 -5.0534 -2.9583 -2.9583 -2.7571 -2.7571 -2.4254 -2.4254 -2.3405 -2.3405 -2.1642 -2.1642 -1.0763 -1.0763 -0.8701 -0.8701 -0.7402 -0.7402 -0.5957 -0.5957 -0.4849 -0.4849 -0.3909 -0.3909 -0.2536 -0.2536 0.1859 0.1859 0.3594 0.3594 0.4941 0.4941 0.6904 0.6904 0.8858 0.8858 5.2934 5.2934 5.3568 5.3568 5.5244 5.5244 5.7871 5.7871 7.1046 7.1046 k = 0.7125 0.0766 0.1112 ( 10892 PWs) bands (ev): -13.6133 -13.6133 -13.4240 -13.4240 -12.8807 -12.8807 -12.8705 -12.8705 -12.7839 -12.7839 -12.7620 -12.7620 -6.5151 -6.5151 -5.0577 -5.0577 -2.9525 -2.9525 -2.7651 -2.7651 -2.4392 -2.4392 -2.3406 -2.3406 -2.1613 -2.1613 -1.0662 -1.0662 -0.8551 -0.8551 -0.7246 -0.7246 -0.6059 -0.6059 -0.4728 -0.4728 -0.4094 -0.4094 -0.2549 -0.2549 0.1929 0.1929 0.3560 0.3560 0.4973 0.4973 0.6927 0.6927 0.8751 0.8751 5.2714 5.2714 5.3775 5.3775 5.5165 5.5165 5.7897 5.7897 7.0846 7.0846 k = 0.7092 0.0709 0.0913 ( 10882 PWs) bands (ev): -13.6161 -13.6161 -13.4196 -13.4196 -12.8821 -12.8821 -12.8724 -12.8724 -12.7815 -12.7815 -12.7628 -12.7628 -6.5129 -6.5129 -5.0619 -5.0619 -2.9457 -2.9457 -2.7721 -2.7721 -2.4532 -2.4532 -2.3412 -2.3412 -2.1594 -2.1594 -1.0544 -1.0544 -0.8414 -0.8414 -0.7154 -0.7154 -0.6133 -0.6133 -0.4599 -0.4599 -0.4224 -0.4224 -0.2549 -0.2549 0.1966 0.1966 0.3520 0.3520 0.5005 0.5005 0.6942 0.6942 0.8627 0.8627 5.2486 5.2486 5.4021 5.4021 5.5109 5.5109 5.7939 5.7939 7.0642 7.0642 k = 0.7059 0.0651 0.0715 ( 10873 PWs) bands (ev): -13.6189 -13.6189 -13.4153 -13.4153 -12.8832 -12.8832 -12.8740 -12.8740 -12.7793 -12.7793 -12.7638 -12.7638 -6.5110 -6.5110 -5.0657 -5.0657 -2.9380 -2.9380 -2.7780 -2.7780 -2.4670 -2.4670 -2.3424 -2.3424 -2.1586 -2.1586 -1.0411 -1.0411 -0.8297 -0.8297 -0.7135 -0.7135 -0.6166 -0.6166 -0.4608 -0.4608 -0.4155 -0.4155 -0.2534 -0.2534 0.1971 0.1971 0.3473 0.3473 0.5038 0.5038 0.6950 0.6950 0.8487 0.8487 5.2262 5.2262 5.4290 5.4290 5.5082 5.5082 5.7993 5.7993 7.0439 7.0439 k = 0.7026 0.0594 0.0516 ( 10866 PWs) bands (ev): -13.6217 -13.6217 -13.4111 -13.4111 -12.8840 -12.8840 -12.8755 -12.8755 -12.7771 -12.7771 -12.7650 -12.7650 -6.5094 -6.5094 -5.0691 -5.0691 -2.9296 -2.9296 -2.7828 -2.7828 -2.4799 -2.4799 -2.3443 -2.3443 -2.1591 -2.1591 -1.0268 -1.0268 -0.8213 -0.8213 -0.7166 -0.7166 -0.6171 -0.6171 -0.4726 -0.4726 -0.3916 -0.3916 -0.2503 -0.2503 0.1942 0.1942 0.3419 0.3419 0.5071 0.5071 0.6949 0.6949 0.8335 0.8335 5.2049 5.2049 5.4551 5.4551 5.5110 5.5110 5.8056 5.8056 7.0242 7.0242 k = 0.6992 0.0536 0.0318 ( 10860 PWs) bands (ev): -13.6244 -13.6244 -13.4071 -13.4071 -12.8847 -12.8847 -12.8767 -12.8767 -12.7750 -12.7750 -12.7665 -12.7665 -6.5082 -6.5082 -5.0721 -5.0721 -2.9206 -2.9206 -2.7863 -2.7863 -2.4917 -2.4917 -2.3469 -2.3469 -2.1608 -2.1608 -1.0117 -1.0117 -0.8182 -0.8182 -0.7199 -0.7199 -0.6178 -0.6178 -0.4838 -0.4838 -0.3626 -0.3626 -0.2453 -0.2453 0.1882 0.1882 0.3355 0.3355 0.5106 0.5106 0.6940 0.6940 0.8175 0.8175 5.1850 5.1850 5.4738 5.4738 5.5253 5.5253 5.8125 5.8125 7.0059 7.0059 k = 0.6959 0.0479 0.0120 ( 10863 PWs) bands (ev): -13.6268 -13.6268 -13.4034 -13.4034 -12.8851 -12.8851 -12.8778 -12.8778 -12.7730 -12.7730 -12.7682 -12.7682 -6.5074 -6.5074 -5.0746 -5.0746 -2.9112 -2.9112 -2.7886 -2.7886 -2.5020 -2.5020 -2.3503 -2.3503 -2.1638 -2.1638 -0.9963 -0.9963 -0.8218 -0.8218 -0.7199 -0.7199 -0.6211 -0.6211 -0.4912 -0.4912 -0.3322 -0.3322 -0.2379 -0.2379 0.1795 0.1795 0.3280 0.3280 0.5143 0.5143 0.6921 0.6921 0.8012 0.8012 5.1668 5.1668 5.4823 5.4823 5.5534 5.5534 5.8198 5.8198 6.9893 6.9893 k = 0.6926 0.0422-0.0079 ( 10863 PWs) bands (ev): -13.6291 -13.6291 -13.4000 -13.4000 -12.8853 -12.8853 -12.8785 -12.8785 -12.7713 -12.7713 -12.7701 -12.7701 -6.5068 -6.5068 -5.0766 -5.0766 -2.9015 -2.9015 -2.7894 -2.7894 -2.5104 -2.5104 -2.3544 -2.3544 -2.1679 -2.1679 -0.9811 -0.9811 -0.8315 -0.8315 -0.7160 -0.7160 -0.6275 -0.6275 -0.4941 -0.4941 -0.3034 -0.3034 -0.2271 -0.2271 0.1683 0.1683 0.3191 0.3191 0.5182 0.5182 0.6890 0.6890 0.7850 0.7850 5.1505 5.1505 5.4868 5.4868 5.5888 5.5888 5.8270 5.8270 6.9752 6.9752 k = 0.6892 0.0364-0.0277 ( 10867 PWs) bands (ev): -13.6310 -13.6310 -13.3971 -13.3971 -12.8853 -12.8853 -12.8791 -12.8791 -12.7724 -12.7724 -12.7695 -12.7695 -6.5065 -6.5065 -5.0779 -5.0779 -2.8920 -2.8920 -2.7887 -2.7887 -2.5168 -2.5168 -2.3594 -2.3594 -2.1732 -2.1732 -0.9668 -0.9668 -0.8449 -0.8449 -0.7106 -0.7106 -0.6357 -0.6357 -0.4927 -0.4927 -0.2788 -0.2788 -0.2119 -0.2119 0.1554 0.1554 0.3089 0.3089 0.5223 0.5223 0.6847 0.6847 0.7696 0.7696 5.1363 5.1363 5.4910 5.4910 5.6273 5.6273 5.8340 5.8340 6.9639 6.9639 k = 0.6859 0.0307-0.0476 ( 10875 PWs) bands (ev): -13.6327 -13.6327 -13.3945 -13.3945 -12.8850 -12.8850 -12.8794 -12.8794 -12.7747 -12.7747 -12.7680 -12.7680 -6.5065 -6.5065 -5.0787 -5.0787 -2.8831 -2.8831 -2.7862 -2.7862 -2.5210 -2.5210 -2.3651 -2.3651 -2.1796 -2.1796 -0.9544 -0.9544 -0.8591 -0.8591 -0.7070 -0.7070 -0.6423 -0.6423 -0.4881 -0.4881 -0.2596 -0.2596 -0.1926 -0.1926 0.1411 0.1411 0.2975 0.2975 0.5268 0.5268 0.6791 0.6791 0.7554 0.7554 5.1242 5.1242 5.4960 5.4960 5.6673 5.6673 5.8405 5.8405 6.9560 6.9560 k = 0.6826 0.0249-0.0674 ( 10877 PWs) bands (ev): -13.6340 -13.6340 -13.3925 -13.3925 -12.8845 -12.8845 -12.8795 -12.8795 -12.7774 -12.7774 -12.7666 -12.7666 -6.5068 -6.5068 -5.0788 -5.0788 -2.8751 -2.8751 -2.7815 -2.7815 -2.5227 -2.5227 -2.3715 -2.3715 -2.1870 -2.1870 -0.9461 -0.9461 -0.8714 -0.8714 -0.7089 -0.7089 -0.6434 -0.6434 -0.4812 -0.4812 -0.2446 -0.2446 -0.1725 -0.1725 0.1261 0.1261 0.2856 0.2856 0.5315 0.5315 0.6723 0.6723 0.7429 0.7429 5.1143 5.1143 5.5023 5.5023 5.7076 5.7076 5.8463 5.8463 6.9516 6.9516 k = 0.6793 0.0192-0.0873 ( 10903 PWs) bands (ev): -13.6349 -13.6349 -13.3909 -13.3909 -12.8837 -12.8837 -12.8794 -12.8794 -12.7802 -12.7802 -12.7654 -12.7654 -6.5073 -6.5073 -5.0783 -5.0783 -2.8686 -2.8686 -2.7745 -2.7745 -2.5221 -2.5221 -2.3785 -2.3785 -2.1954 -2.1954 -0.9449 -0.9449 -0.8783 -0.8783 -0.7167 -0.7167 -0.6381 -0.6381 -0.4727 -0.4727 -0.2316 -0.2316 -0.1555 -0.1555 0.1108 0.1108 0.2739 0.2739 0.5365 0.5365 0.6648 0.6648 0.7321 0.7321 5.1066 5.1066 5.5101 5.5101 5.7475 5.7475 5.8513 5.8513 6.9510 6.9510 k = 0.6759 0.0135-0.1071 ( 10904 PWs) bands (ev): -13.6354 -13.6354 -13.3899 -13.3899 -12.8828 -12.8828 -12.8790 -12.8790 -12.7832 -12.7832 -12.7644 -12.7644 -6.5080 -6.5080 -5.0773 -5.0773 -2.8634 -2.8634 -2.7650 -2.7650 -2.5192 -2.5192 -2.3861 -2.3861 -2.2046 -2.2046 -0.9521 -0.9521 -0.8788 -0.8788 -0.7275 -0.7275 -0.6286 -0.6286 -0.4632 -0.4632 -0.2194 -0.2194 -0.1448 -0.1448 0.0956 0.0956 0.2637 0.2637 0.5418 0.5418 0.6571 0.6571 0.7229 0.7229 5.1010 5.1010 5.5195 5.5195 5.7863 5.7863 5.8555 5.8555 6.9542 6.9542 k = 0.6726 0.0077-0.1270 ( 10896 PWs) bands (ev): -13.6355 -13.6355 -13.3894 -13.3894 -12.8816 -12.8816 -12.8784 -12.8784 -12.7865 -12.7865 -12.7635 -12.7635 -6.5088 -6.5088 -5.0757 -5.0757 -2.8597 -2.8597 -2.7534 -2.7534 -2.5140 -2.5140 -2.3942 -2.3942 -2.2145 -2.2145 -0.9647 -0.9647 -0.8762 -0.8762 -0.7383 -0.7383 -0.6170 -0.6170 -0.4530 -0.4530 -0.2073 -0.2073 -0.1423 -0.1423 0.0804 0.0804 0.2561 0.2561 0.5473 0.5473 0.6500 0.6500 0.7152 0.7152 5.0974 5.0974 5.5306 5.5306 5.8228 5.8228 5.8591 5.8591 6.9612 6.9612 k = 0.6693 0.0020-0.1468 ( 10896 PWs) bands (ev): -13.6352 -13.6352 -13.3894 -13.3894 -12.8802 -12.8802 -12.8775 -12.8775 -12.7899 -12.7899 -12.7628 -12.7628 -6.5098 -6.5098 -5.0735 -5.0735 -2.8570 -2.8570 -2.7400 -2.7400 -2.5071 -2.5071 -2.4023 -2.4023 -2.2250 -2.2250 -0.9796 -0.9796 -0.8745 -0.8745 -0.7469 -0.7469 -0.6045 -0.6045 -0.4425 -0.4425 -0.1952 -0.1952 -0.1486 -0.1486 0.0648 0.0648 0.2515 0.2515 0.5529 0.5529 0.6442 0.6442 0.7087 0.7087 5.0958 5.0958 5.5435 5.5435 5.8522 5.8522 5.8663 5.8663 6.9717 6.9717 k = 0.6659-0.0038-0.1666 ( 10900 PWs) bands (ev): -13.6346 -13.6346 -13.3899 -13.3899 -12.8786 -12.8786 -12.8764 -12.8764 -12.7935 -12.7935 -12.7623 -12.7623 -6.5108 -6.5108 -5.0708 -5.0708 -2.8550 -2.8550 -2.7251 -2.7251 -2.4990 -2.4990 -2.4103 -2.4103 -2.2359 -2.2359 -0.9951 -0.9951 -0.8758 -0.8758 -0.7522 -0.7522 -0.5916 -0.5916 -0.4318 -0.4318 -0.1836 -0.1836 -0.1626 -0.1626 0.0487 0.0487 0.2497 0.2497 0.5585 0.5585 0.6399 0.6399 0.7038 0.7038 5.0960 5.0960 5.5581 5.5581 5.8589 5.8589 5.8920 5.8920 6.9854 6.9854 k = 0.6659-0.0038-0.1666 ( 10900 PWs) bands (ev): -13.6346 -13.6346 -13.3899 -13.3899 -12.8786 -12.8786 -12.8764 -12.8764 -12.7935 -12.7935 -12.7623 -12.7623 -6.5108 -6.5108 -5.0708 -5.0708 -2.8550 -2.8550 -2.7251 -2.7251 -2.4990 -2.4990 -2.4103 -2.4103 -2.2359 -2.2359 -0.9951 -0.9951 -0.8758 -0.8758 -0.7522 -0.7522 -0.5916 -0.5916 -0.4318 -0.4318 -0.1836 -0.1836 -0.1626 -0.1626 0.0487 0.0487 0.2497 0.2497 0.5585 0.5585 0.6399 0.6399 0.7038 0.7038 5.0960 5.0960 5.5581 5.5581 5.8589 5.8589 5.8920 5.8920 6.9854 6.9854 k = 0.6567-0.0197-0.1574 ( 10899 PWs) bands (ev): -13.6352 -13.6352 -13.3892 -13.3892 -12.8840 -12.8840 -12.8727 -12.8727 -12.7932 -12.7932 -12.7608 -12.7608 -6.5105 -6.5105 -5.0697 -5.0697 -2.8673 -2.8673 -2.7336 -2.7336 -2.4971 -2.4971 -2.4001 -2.4001 -2.2448 -2.2448 -0.9868 -0.9868 -0.8650 -0.8650 -0.7424 -0.7424 -0.5998 -0.5998 -0.4292 -0.4292 -0.2026 -0.2026 -0.1452 -0.1452 0.0536 0.0536 0.2474 0.2474 0.5521 0.5521 0.6426 0.6426 0.7119 0.7119 5.1025 5.1025 5.5403 5.5403 5.8543 5.8543 5.8723 5.8723 6.9751 6.9751 k = 0.6475-0.0356-0.1481 ( 10895 PWs) bands (ev): -13.6363 -13.6363 -13.3886 -13.3886 -12.8891 -12.8891 -12.8686 -12.8686 -12.7928 -12.7928 -12.7592 -12.7592 -6.5108 -6.5108 -5.0685 -5.0685 -2.8793 -2.8793 -2.7421 -2.7421 -2.4967 -2.4967 -2.3943 -2.3943 -2.2482 -2.2482 -0.9771 -0.9771 -0.8541 -0.8541 -0.7318 -0.7318 -0.6071 -0.6071 -0.4272 -0.4272 -0.2217 -0.2217 -0.1261 -0.1261 0.0582 0.0582 0.2444 0.2444 0.5442 0.5442 0.6446 0.6446 0.7193 0.7193 5.1127 5.1127 5.5222 5.5222 5.8449 5.8449 5.8575 5.8575 6.9654 6.9654 k = 0.6383-0.0514-0.1389 ( 10890 PWs) bands (ev): -13.6378 -13.6378 -13.3880 -13.3880 -12.8941 -12.8941 -12.8641 -12.8641 -12.7925 -12.7925 -12.7576 -12.7576 -6.5115 -6.5115 -5.0672 -5.0672 -2.8910 -2.8910 -2.7507 -2.7507 -2.4977 -2.4977 -2.3943 -2.3943 -2.2447 -2.2447 -0.9664 -0.9664 -0.8435 -0.8435 -0.7213 -0.7213 -0.6127 -0.6127 -0.4258 -0.4258 -0.2406 -0.2406 -0.1060 -0.1060 0.0623 0.0623 0.2407 0.2407 0.5349 0.5349 0.6458 0.6458 0.7260 0.7260 5.1262 5.1262 5.5041 5.5041 5.8226 5.8226 5.8559 5.8559 6.9567 6.9567 k = 0.6291-0.0673-0.1296 ( 10888 PWs) bands (ev): -13.6395 -13.6395 -13.3875 -13.3875 -12.8989 -12.8989 -12.8594 -12.8594 -12.7921 -12.7921 -12.7560 -12.7560 -6.5128 -6.5128 -5.0659 -5.0659 -2.9021 -2.9021 -2.7590 -2.7590 -2.5001 -2.5001 -2.3995 -2.3995 -2.2347 -2.2347 -0.9547 -0.9547 -0.8337 -0.8337 -0.7120 -0.7120 -0.6156 -0.6156 -0.4249 -0.4249 -0.2590 -0.2590 -0.0853 -0.0853 0.0657 0.0657 0.2366 0.2366 0.5245 0.5245 0.6466 0.6466 0.7321 0.7321 5.1428 5.1428 5.4862 5.4862 5.7976 5.7976 5.8576 5.8576 6.9490 6.9490 k = 0.6198-0.0832-0.1204 ( 10881 PWs) bands (ev): -13.6414 -13.6414 -13.3870 -13.3870 -12.9034 -12.9034 -12.8545 -12.8545 -12.7917 -12.7917 -12.7544 -12.7544 -6.5144 -6.5144 -5.0645 -5.0645 -2.9126 -2.9126 -2.7671 -2.7671 -2.5041 -2.5041 -2.4078 -2.4078 -2.2200 -2.2200 -0.9422 -0.9422 -0.8245 -0.8245 -0.7055 -0.7055 -0.6143 -0.6143 -0.4245 -0.4245 -0.2768 -0.2768 -0.0644 -0.0644 0.0685 0.0685 0.2321 0.2321 0.5132 0.5132 0.6468 0.6468 0.7374 0.7374 5.1622 5.1622 5.4688 5.4688 5.7719 5.7719 5.8609 5.8609 6.9427 6.9427 k = 0.6106-0.0991-0.1111 ( 10885 PWs) bands (ev): -13.6435 -13.6435 -13.3866 -13.3866 -12.9077 -12.9077 -12.8496 -12.8496 -12.7914 -12.7914 -12.7529 -12.7529 -6.5163 -6.5163 -5.0631 -5.0631 -2.9222 -2.9222 -2.7749 -2.7749 -2.5098 -2.5098 -2.4171 -2.4171 -2.2026 -2.2026 -0.9293 -0.9293 -0.8160 -0.8160 -0.7027 -0.7027 -0.6082 -0.6082 -0.4245 -0.4245 -0.2938 -0.2938 -0.0437 -0.0437 0.0704 0.0704 0.2272 0.2272 0.5012 0.5012 0.6466 0.6466 0.7421 0.7421 5.1836 5.1836 5.4524 5.4524 5.7461 5.7461 5.8650 5.8650 6.9382 6.9382 k = 0.6014-0.1150-0.1018 ( 10897 PWs) bands (ev): -13.6457 -13.6457 -13.3862 -13.3862 -12.9117 -12.9117 -12.8446 -12.8446 -12.7910 -12.7910 -12.7514 -12.7514 -6.5185 -6.5185 -5.0617 -5.0617 -2.9310 -2.9310 -2.7823 -2.7823 -2.5174 -2.5174 -2.4259 -2.4259 -2.1840 -2.1840 -0.9163 -0.9163 -0.8082 -0.8082 -0.7034 -0.7034 -0.5979 -0.5979 -0.4251 -0.4251 -0.3095 -0.3095 -0.0234 -0.0234 0.0716 0.0716 0.2222 0.2222 0.4889 0.4889 0.6462 0.6462 0.7461 0.7461 5.2066 5.2066 5.4376 5.4376 5.7207 5.7207 5.8695 5.8695 6.9358 6.9358 k = 0.5922-0.1309-0.0926 ( 10897 PWs) bands (ev): -13.6480 -13.6480 -13.3858 -13.3858 -12.9153 -12.9153 -12.8398 -12.8398 -12.7907 -12.7907 -12.7500 -12.7500 -6.5209 -6.5209 -5.0603 -5.0603 -2.9389 -2.9389 -2.7892 -2.7892 -2.5266 -2.5266 -2.4334 -2.4334 -2.1649 -2.1649 -0.9036 -0.9036 -0.8011 -0.8011 -0.7059 -0.7059 -0.5852 -0.5852 -0.4265 -0.4265 -0.3236 -0.3236 -0.0042 -0.0042 0.0722 0.0722 0.2171 0.2171 0.4765 0.4765 0.6454 0.6454 0.7496 0.7496 5.2299 5.2299 5.4249 5.4249 5.6963 5.6963 5.8737 5.8737 6.9359 6.9359 k = 0.5830-0.1468-0.0833 ( 10903 PWs) bands (ev): -13.6501 -13.6501 -13.3855 -13.3855 -12.9187 -12.9187 -12.8351 -12.8351 -12.7904 -12.7904 -12.7487 -12.7487 -6.5233 -6.5233 -5.0590 -5.0590 -2.9459 -2.9459 -2.7956 -2.7956 -2.5370 -2.5370 -2.4393 -2.4393 -2.1463 -2.1463 -0.8916 -0.8916 -0.7949 -0.7949 -0.7084 -0.7084 -0.5721 -0.5721 -0.4291 -0.4291 -0.3350 -0.3350 0.0136 0.0136 0.0727 0.0727 0.2118 0.2118 0.4643 0.4643 0.6445 0.6445 0.7525 0.7525 5.2522 5.2522 5.4156 5.4156 5.6731 5.6731 5.8773 5.8773 6.9389 6.9389 k = 0.5738-0.1627-0.0741 ( 10901 PWs) bands (ev): -13.6522 -13.6522 -13.3853 -13.3853 -12.9218 -12.9218 -12.8307 -12.8307 -12.7901 -12.7901 -12.7475 -12.7475 -6.5257 -6.5257 -5.0578 -5.0578 -2.9520 -2.9520 -2.8014 -2.8014 -2.5480 -2.5480 -2.4439 -2.4439 -2.1284 -2.1284 -0.8805 -0.8805 -0.7902 -0.7902 -0.7090 -0.7090 -0.5600 -0.5600 -0.4335 -0.4335 -0.3431 -0.3431 0.0286 0.0286 0.0739 0.0739 0.2066 0.2066 0.4526 0.4526 0.6434 0.6434 0.7548 0.7548 5.2714 5.2714 5.4112 5.4112 5.6516 5.6516 5.8798 5.8798 6.9449 6.9449 k = 0.5645-0.1786-0.0648 ( 10879 PWs) bands (ev): -13.6542 -13.6542 -13.3850 -13.3850 -12.9245 -12.9245 -12.8266 -12.8266 -12.7898 -12.7898 -12.7464 -12.7464 -6.5280 -6.5280 -5.0566 -5.0566 -2.9572 -2.9572 -2.8065 -2.8065 -2.5589 -2.5589 -2.4473 -2.4473 -2.1118 -2.1118 -0.8707 -0.8707 -0.7880 -0.7880 -0.7061 -0.7061 -0.5503 -0.5503 -0.4398 -0.4398 -0.3471 -0.3471 0.0390 0.0390 0.0780 0.0780 0.2012 0.2012 0.4417 0.4417 0.6423 0.6423 0.7568 0.7568 5.2852 5.2852 5.4134 5.4134 5.6322 5.6322 5.8809 5.8809 6.9540 6.9540 k = 0.5553-0.1945-0.0555 ( 10873 PWs) bands (ev): -13.6560 -13.6560 -13.3848 -13.3848 -12.9269 -12.9269 -12.8229 -12.8229 -12.7896 -12.7896 -12.7454 -12.7454 -6.5302 -6.5302 -5.0557 -5.0557 -2.9616 -2.9616 -2.8111 -2.8111 -2.5693 -2.5693 -2.4499 -2.4499 -2.0968 -2.0968 -0.8621 -0.8621 -0.7886 -0.7886 -0.6989 -0.6989 -0.5440 -0.5440 -0.4475 -0.4475 -0.3473 -0.3473 0.0435 0.0435 0.0864 0.0864 0.1957 0.1957 0.4317 0.4317 0.6412 0.6412 0.7583 0.7583 5.2926 5.2926 5.4226 5.4226 5.6150 5.6150 5.8807 5.8807 6.9663 6.9663 k = 0.5461-0.2104-0.0463 ( 10871 PWs) bands (ev): -13.6576 -13.6576 -13.3847 -13.3847 -12.9289 -12.9289 -12.8197 -12.8197 -12.7894 -12.7894 -12.7446 -12.7446 -6.5321 -6.5321 -5.0548 -5.0548 -2.9653 -2.9653 -2.8149 -2.8149 -2.5786 -2.5786 -2.4518 -2.4518 -2.0836 -2.0836 -0.8545 -0.8545 -0.7918 -0.7918 -0.6878 -0.6878 -0.5421 -0.5421 -0.4553 -0.4553 -0.3445 -0.3445 0.0436 0.0436 0.0975 0.0975 0.1900 0.1900 0.4230 0.4230 0.6400 0.6400 0.7596 0.7596 5.2947 5.2947 5.4368 5.4368 5.6005 5.6005 5.8790 5.8790 6.9815 6.9815 k = 0.5369-0.2263-0.0370 ( 10871 PWs) bands (ev): -13.6589 -13.6589 -13.3846 -13.3846 -12.9306 -12.9306 -12.8170 -12.8170 -12.7893 -12.7893 -12.7439 -12.7439 -6.5338 -6.5338 -5.0541 -5.0541 -2.9681 -2.9681 -2.8181 -2.8181 -2.5867 -2.5867 -2.4532 -2.4532 -2.0724 -2.0724 -0.8478 -0.8478 -0.7966 -0.7966 -0.6738 -0.6738 -0.5452 -0.5452 -0.4617 -0.4617 -0.3401 -0.3401 0.0418 0.0418 0.1092 0.1092 0.1842 0.1842 0.4156 0.4156 0.6390 0.6390 0.7605 0.7605 5.2937 5.2937 5.4527 5.4527 5.5889 5.5889 5.8763 5.8763 6.9992 6.9992 k = 0.5277-0.2422-0.0278 ( 10876 PWs) bands (ev): -13.6600 -13.6600 -13.3845 -13.3845 -12.9319 -12.9319 -12.8148 -12.8148 -12.7891 -12.7891 -12.7434 -12.7434 -6.5352 -6.5352 -5.0535 -5.0535 -2.9703 -2.9703 -2.8206 -2.8206 -2.5931 -2.5931 -2.4543 -2.4543 -2.0635 -2.0635 -0.8417 -0.8417 -0.8022 -0.8022 -0.6580 -0.6580 -0.5530 -0.5530 -0.4660 -0.4660 -0.3352 -0.3352 0.0394 0.0394 0.1205 0.1205 0.1781 0.1781 0.4097 0.4097 0.6382 0.6382 0.7612 0.7612 5.2915 5.2915 5.4674 5.4674 5.5805 5.5805 5.8730 5.8730 7.0190 7.0190 k = 0.5184-0.2581-0.0185 ( 10876 PWs) bands (ev): -13.6608 -13.6608 -13.3844 -13.3844 -12.9328 -12.9328 -12.8133 -12.8133 -12.7890 -12.7890 -12.7430 -12.7430 -6.5362 -6.5362 -5.0531 -5.0531 -2.9718 -2.9718 -2.8224 -2.8224 -2.5979 -2.5979 -2.4550 -2.4550 -2.0571 -2.0571 -0.8361 -0.8361 -0.8080 -0.8080 -0.6417 -0.6417 -0.5643 -0.5643 -0.4685 -0.4685 -0.3309 -0.3309 0.0372 0.0372 0.1306 0.1306 0.1719 0.1719 0.4054 0.4054 0.6375 0.6375 0.7616 0.7616 5.2894 5.2894 5.4788 5.4788 5.5751 5.5751 5.8699 5.8699 7.0402 7.0402 k = 0.5092-0.2740-0.0093 ( 10866 PWs) bands (ev): -13.6613 -13.6613 -13.3843 -13.3843 -12.9334 -12.9334 -12.8123 -12.8123 -12.7890 -12.7890 -12.7427 -12.7427 -6.5368 -6.5368 -5.0529 -5.0529 -2.9727 -2.9727 -2.8234 -2.8234 -2.6007 -2.6007 -2.4554 -2.4554 -2.0532 -2.0532 -0.8313 -0.8313 -0.8131 -0.8131 -0.6268 -0.6268 -0.5765 -0.5765 -0.4697 -0.4697 -0.3280 -0.3280 0.0357 0.0357 0.1387 0.1387 0.1662 0.1662 0.4029 0.4029 0.6371 0.6371 0.7619 0.7619 5.2880 5.2880 5.4858 5.4858 5.5724 5.5724 5.8676 5.8676 7.0619 7.0619 k = 0.5000-0.2899 0.0000 ( 10858 PWs) bands (ev): -13.6614 -13.6614 -13.3843 -13.3843 -12.9336 -12.9336 -12.8120 -12.8120 -12.7890 -12.7890 -12.7427 -12.7427 -6.5370 -6.5370 -5.0528 -5.0528 -2.9730 -2.9730 -2.8238 -2.8238 -2.6017 -2.6017 -2.4555 -2.4555 -2.0518 -2.0518 -0.8289 -0.8289 -0.8156 -0.8156 -0.6193 -0.6193 -0.5831 -0.5831 -0.4700 -0.4700 -0.3270 -0.3270 0.0352 0.0352 0.1423 0.1423 0.1633 0.1633 0.4020 0.4020 0.6369 0.6369 0.7620 0.7620 5.2874 5.2874 5.4881 5.4881 5.5716 5.5716 5.8668 5.8668 7.0773 7.0773 k = 0.5000-0.2899 0.0000 ( 10858 PWs) bands (ev): -13.6614 -13.6614 -13.3843 -13.3843 -12.9336 -12.9336 -12.8120 -12.8120 -12.7890 -12.7890 -12.7427 -12.7427 -6.5370 -6.5370 -5.0528 -5.0528 -2.9730 -2.9730 -2.8238 -2.8238 -2.6017 -2.6017 -2.4555 -2.4555 -2.0518 -2.0518 -0.8289 -0.8289 -0.8156 -0.8156 -0.6193 -0.6193 -0.5831 -0.5831 -0.4700 -0.4700 -0.3270 -0.3270 0.0352 0.0352 0.1423 0.1423 0.1633 0.1633 0.4020 0.4020 0.6369 0.6369 0.7620 0.7620 5.2874 5.2874 5.4881 5.4881 5.5716 5.5716 5.8668 5.8668 7.0773 7.0773 k = 0.4821-0.2796-0.0000 ( 10866 PWs) bands (ev): -13.6619 -13.6619 -13.3846 -13.3846 -12.9330 -12.9330 -12.8120 -12.8120 -12.7886 -12.7886 -12.7426 -12.7426 -6.5375 -6.5375 -5.0530 -5.0530 -2.9729 -2.9729 -2.8241 -2.8241 -2.6014 -2.6014 -2.4562 -2.4562 -2.0527 -2.0527 -0.8274 -0.8274 -0.8155 -0.8155 -0.6213 -0.6213 -0.5809 -0.5809 -0.4678 -0.4678 -0.3262 -0.3262 0.0345 0.0345 0.1420 0.1420 0.1647 0.1647 0.4006 0.4006 0.6357 0.6357 0.7606 0.7606 5.2897 5.2897 5.4881 5.4881 5.5711 5.5711 5.8694 5.8694 7.0784 7.0784 k = 0.4643-0.2692-0.0000 ( 10866 PWs) bands (ev): -13.6632 -13.6632 -13.3854 -13.3854 -12.9314 -12.9314 -12.8119 -12.8119 -12.7877 -12.7877 -12.7424 -12.7424 -6.5388 -6.5388 -5.0537 -5.0537 -2.9727 -2.9727 -2.8252 -2.8252 -2.6004 -2.6004 -2.4584 -2.4584 -2.0554 -2.0554 -0.8241 -0.8241 -0.8142 -0.8142 -0.6263 -0.6263 -0.5752 -0.5752 -0.4614 -0.4614 -0.3236 -0.3236 0.0325 0.0325 0.1413 0.1413 0.1682 0.1682 0.3964 0.3964 0.6319 0.6319 0.7564 0.7564 5.2964 5.2964 5.4881 5.4881 5.5696 5.5696 5.8772 5.8772 7.0818 7.0818 k = 0.4464-0.2589 0.0000 ( 10874 PWs) bands (ev): -13.6654 -13.6654 -13.3868 -13.3868 -12.9287 -12.9287 -12.8117 -12.8117 -12.7861 -12.7861 -12.7420 -12.7420 -6.5409 -6.5409 -5.0547 -5.0547 -2.9722 -2.9722 -2.8269 -2.8269 -2.5990 -2.5990 -2.4618 -2.4618 -2.0598 -2.0598 -0.8228 -0.8228 -0.8078 -0.8078 -0.6325 -0.6325 -0.5674 -0.5674 -0.4513 -0.4513 -0.3193 -0.3193 0.0291 0.0291 0.1412 0.1412 0.1731 0.1731 0.3896 0.3896 0.6256 0.6256 0.7494 0.7494 5.3075 5.3075 5.4881 5.4881 5.5674 5.5674 5.8895 5.8895 7.0873 7.0873 k = 0.4286-0.2485 0.0000 ( 10868 PWs) bands (ev): -13.6684 -13.6684 -13.3887 -13.3887 -12.9250 -12.9250 -12.8113 -12.8113 -12.7841 -12.7841 -12.7416 -12.7416 -6.5439 -6.5439 -5.0562 -5.0562 -2.9716 -2.9716 -2.8291 -2.8291 -2.5972 -2.5972 -2.4664 -2.4664 -2.0660 -2.0660 -0.8237 -0.8237 -0.7963 -0.7963 -0.6386 -0.6386 -0.5583 -0.5583 -0.4381 -0.4381 -0.3132 -0.3132 0.0243 0.0243 0.1419 0.1419 0.1787 0.1787 0.3804 0.3804 0.6170 0.6170 0.7399 0.7399 5.3225 5.3225 5.4881 5.4881 5.5648 5.5648 5.9057 5.9057 7.0948 7.0948 k = 0.4107-0.2382 0.0000 ( 10880 PWs) bands (ev): -13.6722 -13.6722 -13.3910 -13.3910 -12.9204 -12.9204 -12.8108 -12.8108 -12.7816 -12.7816 -12.7410 -12.7410 -6.5476 -6.5476 -5.0581 -5.0581 -2.9709 -2.9709 -2.8316 -2.8316 -2.5955 -2.5955 -2.4718 -2.4718 -2.0739 -2.0739 -0.8250 -0.8250 -0.7816 -0.7816 -0.6441 -0.6441 -0.5482 -0.5482 -0.4226 -0.4226 -0.3052 -0.3052 0.0183 0.0183 0.1437 0.1437 0.1847 0.1847 0.3694 0.3694 0.6061 0.6061 0.7279 0.7279 5.3411 5.3411 5.4880 5.4880 5.5622 5.5622 5.9250 5.9250 7.1035 7.1035 k = 0.3929-0.2278 0.0000 ( 10876 PWs) bands (ev): -13.6766 -13.6766 -13.3938 -13.3938 -12.9150 -12.9150 -12.8100 -12.8100 -12.7788 -12.7788 -12.7403 -12.7403 -6.5521 -6.5521 -5.0602 -5.0602 -2.9699 -2.9699 -2.8344 -2.8344 -2.5940 -2.5940 -2.4779 -2.4779 -2.0834 -2.0834 -0.8260 -0.8260 -0.7649 -0.7649 -0.6483 -0.6483 -0.5373 -0.5373 -0.4055 -0.4055 -0.2953 -0.2953 0.0112 0.0112 0.1465 0.1465 0.1908 0.1908 0.3570 0.3570 0.5931 0.5931 0.7138 0.7138 5.3628 5.3628 5.4879 5.4879 5.5600 5.5600 5.9463 5.9463 7.1109 7.1109 k = 0.3750-0.2174-0.0000 ( 10892 PWs) bands (ev): -13.6816 -13.6816 -13.3970 -13.3970 -12.9088 -12.9088 -12.8090 -12.8090 -12.7757 -12.7757 -12.7395 -12.7395 -6.5573 -6.5573 -5.0627 -5.0627 -2.9689 -2.9689 -2.8371 -2.8371 -2.5931 -2.5931 -2.4843 -2.4843 -2.0946 -2.0946 -0.8261 -0.8261 -0.7471 -0.7471 -0.6510 -0.6510 -0.5258 -0.5258 -0.3872 -0.3872 -0.2831 -0.2831 0.0032 0.0032 0.1498 0.1498 0.1967 0.1967 0.3440 0.3440 0.5782 0.5782 0.6976 0.6976 5.3867 5.3867 5.4878 5.4878 5.5584 5.5584 5.9685 5.9685 7.1172 7.1172 k = 0.3571-0.2071-0.0000 ( 10904 PWs) bands (ev): -13.6872 -13.6872 -13.4005 -13.4005 -12.9019 -12.9019 -12.8077 -12.8077 -12.7725 -12.7725 -12.7385 -12.7385 -6.5630 -6.5630 -5.0654 -5.0654 -2.9677 -2.9677 -2.8397 -2.8397 -2.5931 -2.5931 -2.4908 -2.4908 -2.1073 -2.1073 -0.8250 -0.8250 -0.7293 -0.7293 -0.6518 -0.6518 -0.5137 -0.5137 -0.3686 -0.3686 -0.2685 -0.2685 -0.0055 -0.0055 0.1533 0.1533 0.2019 0.2019 0.3314 0.3314 0.5618 0.5618 0.6797 0.6797 5.4117 5.4117 5.4882 5.4882 5.5579 5.5579 5.9905 5.9905 7.1238 7.1238 k = 0.3393-0.1967-0.0000 ( 10894 PWs) bands (ev): -13.6931 -13.6931 -13.4043 -13.4043 -12.8945 -12.8945 -12.8061 -12.8061 -12.7692 -12.7692 -12.7376 -12.7376 -6.5692 -6.5692 -5.0684 -5.0684 -2.9664 -2.9664 -2.8421 -2.8421 -2.5941 -2.5941 -2.4972 -2.4972 -2.1215 -2.1215 -0.8224 -0.8224 -0.7125 -0.7125 -0.6501 -0.6501 -0.5013 -0.5013 -0.3501 -0.3501 -0.2512 -0.2512 -0.0147 -0.0147 0.1563 0.1563 0.2063 0.2063 0.3205 0.3205 0.5441 0.5441 0.6603 0.6603 5.4358 5.4358 5.4896 5.4896 5.5591 5.5591 6.0111 6.0111 7.1313 7.1313 k = 0.3214-0.1864 0.0000 ( 10896 PWs) bands (ev): -13.6994 -13.6994 -13.4084 -13.4084 -12.8866 -12.8866 -12.8042 -12.8042 -12.7658 -12.7658 -12.7365 -12.7365 -6.5759 -6.5759 -5.0714 -5.0714 -2.9651 -2.9651 -2.8442 -2.8442 -2.5962 -2.5962 -2.5032 -2.5032 -2.1368 -2.1368 -0.8182 -0.8182 -0.6978 -0.6978 -0.6458 -0.6458 -0.4889 -0.4889 -0.3322 -0.3322 -0.2314 -0.2314 -0.0241 -0.0241 0.1582 0.1582 0.2095 0.2095 0.3125 0.3125 0.5256 0.5256 0.6397 0.6397 5.4551 5.4551 5.4945 5.4945 5.5631 5.5631 6.0291 6.0291 7.1399 7.1399 k = 0.3036-0.1760 0.0000 ( 10896 PWs) bands (ev): -13.7059 -13.7059 -13.4126 -13.4126 -12.8785 -12.8785 -12.8021 -12.8021 -12.7624 -12.7624 -12.7354 -12.7354 -6.5828 -6.5828 -5.0745 -5.0745 -2.9638 -2.9638 -2.8457 -2.8457 -2.5994 -2.5994 -2.5089 -2.5089 -2.1532 -2.1532 -0.8120 -0.8120 -0.6858 -0.6858 -0.6390 -0.6390 -0.4767 -0.4767 -0.3156 -0.3156 -0.2090 -0.2090 -0.0335 -0.0335 0.1580 0.1580 0.2118 0.2118 0.3085 0.3085 0.5067 0.5067 0.6183 0.6183 5.4647 5.4647 5.5047 5.5047 5.5720 5.5720 6.0433 6.0433 7.1502 7.1502 k = 0.2857-0.1657-0.0000 ( 10886 PWs) bands (ev): -13.7125 -13.7125 -13.4170 -13.4170 -12.8701 -12.8701 -12.7998 -12.7998 -12.7591 -12.7591 -12.7343 -12.7343 -6.5901 -6.5901 -5.0777 -5.0777 -2.9626 -2.9626 -2.8467 -2.8467 -2.6035 -2.6035 -2.5143 -2.5143 -2.1705 -2.1705 -0.8039 -0.8039 -0.6759 -0.6759 -0.6303 -0.6303 -0.4653 -0.4653 -0.3004 -0.3004 -0.1849 -0.1849 -0.0426 -0.0426 0.1552 0.1552 0.2136 0.2136 0.3088 0.3088 0.4879 0.4879 0.5963 0.5963 5.4668 5.4668 5.5154 5.5154 5.5879 5.5879 6.0527 6.0527 7.1624 7.1624 k = 0.2679-0.1553-0.0000 ( 10888 PWs) bands (ev): -13.7192 -13.7192 -13.4214 -13.4214 -12.8616 -12.8616 -12.7973 -12.7973 -12.7559 -12.7559 -12.7331 -12.7331 -6.5975 -6.5975 -5.0809 -5.0809 -2.9615 -2.9615 -2.8471 -2.8471 -2.6084 -2.6084 -2.5196 -2.5196 -2.1884 -2.1884 -0.7939 -0.7939 -0.6673 -0.6673 -0.6210 -0.6210 -0.4549 -0.4549 -0.2869 -0.2869 -0.1603 -0.1603 -0.0505 -0.0505 0.1502 0.1502 0.2155 0.2155 0.3128 0.3128 0.4697 0.4697 0.5743 0.5743 5.4653 5.4653 5.5226 5.5226 5.6102 5.6102 6.0564 6.0564 7.1772 7.1772 k = 0.2500-0.1450 0.0000 ( 10888 PWs) bands (ev): -13.7258 -13.7258 -13.4258 -13.4258 -12.8531 -12.8531 -12.7945 -12.7945 -12.7529 -12.7529 -12.7320 -12.7320 -6.6049 -6.6049 -5.0840 -5.0840 -2.9606 -2.9606 -2.8469 -2.8469 -2.6137 -2.6137 -2.5248 -2.5248 -2.2066 -2.2066 -0.7819 -0.7819 -0.6592 -0.6592 -0.6122 -0.6122 -0.4459 -0.4459 -0.2754 -0.2754 -0.1380 -0.1380 -0.0553 -0.0553 0.1438 0.1438 0.2176 0.2176 0.3198 0.3198 0.4528 0.4528 0.5529 0.5529 5.4620 5.4620 5.5271 5.5271 5.6358 5.6358 6.0540 6.0540 7.1946 7.1946 k = 0.2321-0.1346 0.0000 ( 10876 PWs) bands (ev): -13.7323 -13.7323 -13.4301 -13.4301 -12.8448 -12.8448 -12.7917 -12.7917 -12.7500 -12.7500 -12.7309 -12.7309 -6.6123 -6.6123 -5.0870 -5.0870 -2.9599 -2.9599 -2.8460 -2.8460 -2.6192 -2.6192 -2.5302 -2.5302 -2.2250 -2.2250 -0.7682 -0.7682 -0.6510 -0.6510 -0.6042 -0.6042 -0.4384 -0.4384 -0.2661 -0.2661 -0.1232 -0.1232 -0.0529 -0.0529 0.1372 0.1372 0.2195 0.2195 0.3287 0.3287 0.4376 0.4376 0.5326 0.5326 5.4572 5.4572 5.5302 5.5302 5.6624 5.6624 6.0453 6.0453 7.2146 7.2146 k = 0.2143-0.1243 0.0000 ( 10870 PWs) bands (ev): -13.7386 -13.7386 -13.4344 -13.4344 -12.8366 -12.8366 -12.7888 -12.7888 -12.7474 -12.7474 -12.7298 -12.7298 -6.6196 -6.6196 -5.0899 -5.0899 -2.9594 -2.9594 -2.8444 -2.8444 -2.6248 -2.6248 -2.5357 -2.5357 -2.2431 -2.2431 -0.7531 -0.7531 -0.6425 -0.6425 -0.5972 -0.5972 -0.4325 -0.4325 -0.2589 -0.2589 -0.1197 -0.1197 -0.0409 -0.0409 0.1316 0.1316 0.2206 0.2206 0.3389 0.3389 0.4248 0.4248 0.5146 0.5146 5.4513 5.4513 5.5329 5.5329 5.6886 5.6886 6.0307 6.0307 7.2371 7.2371 k = 0.1964-0.1139 0.0000 ( 10870 PWs) bands (ev): -13.7446 -13.7446 -13.4385 -13.4385 -12.8286 -12.8286 -12.7858 -12.7858 -12.7450 -12.7450 -12.7288 -12.7288 -6.6266 -6.6266 -5.0926 -5.0926 -2.9592 -2.9592 -2.8422 -2.8422 -2.6302 -2.6302 -2.5413 -2.5413 -2.2608 -2.2608 -0.7369 -0.7369 -0.6338 -0.6338 -0.5911 -0.5911 -0.4280 -0.4280 -0.2537 -0.2537 -0.1239 -0.1239 -0.0248 -0.0248 0.1282 0.1282 0.2204 0.2204 0.3497 0.3497 0.4147 0.4147 0.4998 0.4998 5.4441 5.4441 5.5355 5.5355 5.7135 5.7135 6.0109 6.0109 7.2614 7.2614 k = 0.1786-0.1035-0.0000 ( 10870 PWs) bands (ev): -13.7504 -13.7504 -13.4424 -13.4424 -12.8211 -12.8211 -12.7827 -12.7827 -12.7429 -12.7429 -12.7279 -12.7279 -6.6334 -6.6334 -5.0951 -5.0951 -2.9592 -2.9592 -2.8395 -2.8395 -2.6356 -2.6356 -2.5471 -2.5471 -2.2778 -2.2778 -0.7201 -0.7201 -0.6249 -0.6249 -0.5857 -0.5857 -0.4249 -0.4249 -0.2503 -0.2503 -0.1308 -0.1308 -0.0117 -0.0117 0.1280 0.1280 0.2187 0.2187 0.3604 0.3604 0.4072 0.4072 0.4895 0.4895 5.4361 5.4361 5.5384 5.5384 5.7366 5.7366 5.9868 5.9868 7.2867 7.2867 k = 0.1607-0.0932-0.0000 ( 10867 PWs) bands (ev): -13.7557 -13.7557 -13.4460 -13.4460 -12.8140 -12.8140 -12.7797 -12.7797 -12.7411 -12.7411 -12.7270 -12.7270 -6.6397 -6.6397 -5.0974 -5.0974 -2.9594 -2.9594 -2.8363 -2.8363 -2.6406 -2.6406 -2.5529 -2.5529 -2.2938 -2.2938 -0.7034 -0.7034 -0.6160 -0.6160 -0.5805 -0.5805 -0.4230 -0.4230 -0.2482 -0.2482 -0.1380 -0.1380 -0.0056 -0.0056 0.1310 0.1310 0.2160 0.2160 0.3706 0.3706 0.4019 0.4019 0.4849 0.4849 5.4272 5.4272 5.5415 5.5415 5.7576 5.7576 5.9595 5.9595 7.3122 7.3122 k = 0.1429-0.0828-0.0000 ( 10855 PWs) bands (ev): -13.7606 -13.7606 -13.4494 -13.4494 -12.8074 -12.8074 -12.7768 -12.7768 -12.7396 -12.7396 -12.7263 -12.7263 -6.6456 -6.6456 -5.0995 -5.0995 -2.9598 -2.9598 -2.8328 -2.8328 -2.6453 -2.6453 -2.5587 -2.5587 -2.3086 -2.3086 -0.6876 -0.6876 -0.6079 -0.6079 -0.5744 -0.5744 -0.4220 -0.4220 -0.2469 -0.2469 -0.1442 -0.1442 -0.0076 -0.0076 0.1349 0.1349 0.2142 0.2142 0.3801 0.3801 0.3983 0.3983 0.4860 0.4860 5.4179 5.4179 5.5449 5.5449 5.7765 5.7765 5.9304 5.9304 7.3369 7.3369 k = 0.1250-0.0725 0.0000 ( 10849 PWs) bands (ev): -13.7650 -13.7650 -13.4524 -13.4524 -12.8013 -12.8013 -12.7740 -12.7740 -12.7383 -12.7383 -12.7256 -12.7256 -6.6510 -6.6510 -5.1014 -5.1014 -2.9603 -2.9603 -2.8291 -2.8291 -2.6498 -2.6498 -2.5644 -2.5644 -2.3220 -2.3220 -0.6733 -0.6733 -0.6015 -0.6015 -0.5661 -0.5661 -0.4220 -0.4220 -0.2457 -0.2457 -0.1491 -0.1491 -0.0161 -0.0161 0.1356 0.1356 0.2155 0.2155 0.3875 0.3875 0.3976 0.3976 0.4919 0.4919 5.4083 5.4083 5.5486 5.5486 5.7930 5.7930 5.9007 5.9007 7.3598 7.3598 k = 0.1071-0.0621 0.0000 ( 10863 PWs) bands (ev): -13.7689 -13.7689 -13.4552 -13.4552 -12.7960 -12.7960 -12.7714 -12.7714 -12.7373 -12.7373 -12.7251 -12.7251 -6.6558 -6.6558 -5.1030 -5.1030 -2.9608 -2.9608 -2.8254 -2.8254 -2.6538 -2.6538 -2.5697 -2.5697 -2.3339 -2.3339 -0.6612 -0.6612 -0.5976 -0.5976 -0.5551 -0.5551 -0.4228 -0.4228 -0.2437 -0.2437 -0.1525 -0.1525 -0.0292 -0.0292 0.1310 0.1310 0.2208 0.2208 0.3887 0.3887 0.4040 0.4040 0.5009 0.5009 5.3990 5.3990 5.5526 5.5526 5.8071 5.8071 5.8716 5.8716 7.3800 7.3800 k = 0.0893-0.0518-0.0000 ( 10859 PWs) bands (ev): -13.7723 -13.7723 -13.4575 -13.4575 -12.7913 -12.7913 -12.7691 -12.7691 -12.7366 -12.7366 -12.7247 -12.7247 -6.6599 -6.6599 -5.1044 -5.1044 -2.9613 -2.9613 -2.8218 -2.8218 -2.6574 -2.6574 -2.5746 -2.5746 -2.3441 -2.3441 -0.6513 -0.6513 -0.5959 -0.5959 -0.5418 -0.5418 -0.4245 -0.4245 -0.2403 -0.2403 -0.1547 -0.1547 -0.0453 -0.0453 0.1223 0.1223 0.2283 0.2283 0.3874 0.3874 0.4136 0.4136 0.5111 0.5111 5.3902 5.3902 5.5567 5.5567 5.8189 5.8189 5.8444 5.8444 7.3971 7.3971 k = 0.0714-0.0414-0.0000 ( 10869 PWs) bands (ev): -13.7751 -13.7751 -13.4594 -13.4594 -12.7874 -12.7874 -12.7670 -12.7670 -12.7361 -12.7361 -12.7243 -12.7243 -6.6634 -6.6634 -5.1055 -5.1055 -2.9618 -2.9618 -2.8186 -2.8186 -2.6604 -2.6604 -2.5789 -2.5789 -2.3525 -2.3525 -0.6435 -0.6435 -0.5957 -0.5957 -0.5276 -0.5276 -0.4271 -0.4271 -0.2348 -0.2348 -0.1560 -0.1560 -0.0630 -0.0630 0.1121 0.1121 0.2359 0.2359 0.3862 0.3862 0.4233 0.4233 0.5211 0.5211 5.3824 5.3824 5.5607 5.5607 5.8193 5.8193 5.8292 5.8292 7.4107 7.4107 k = 0.0536-0.0311 0.0000 ( 10873 PWs) bands (ev): -13.7773 -13.7773 -13.4610 -13.4610 -12.7842 -12.7842 -12.7653 -12.7653 -12.7357 -12.7357 -12.7241 -12.7241 -6.6661 -6.6661 -5.1063 -5.1063 -2.9622 -2.9622 -2.8158 -2.8158 -2.6630 -2.6630 -2.5824 -2.5824 -2.3590 -2.3590 -0.6376 -0.6376 -0.5963 -0.5963 -0.5138 -0.5138 -0.4306 -0.4306 -0.2273 -0.2273 -0.1569 -0.1569 -0.0807 -0.0807 0.1023 0.1023 0.2423 0.2423 0.3854 0.3854 0.4319 0.4319 0.5298 0.5298 5.3759 5.3759 5.5645 5.5645 5.7992 5.7992 5.8362 5.8362 7.4208 7.4208 k = 0.0357-0.0207-0.0000 ( 10877 PWs) bands (ev): -13.7789 -13.7789 -13.4621 -13.4621 -12.7820 -12.7820 -12.7640 -12.7640 -12.7355 -12.7355 -12.7239 -12.7239 -6.6680 -6.6680 -5.1070 -5.1070 -2.9625 -2.9625 -2.8137 -2.8137 -2.6648 -2.6648 -2.5850 -2.5850 -2.3637 -2.3637 -0.6334 -0.6334 -0.5972 -0.5972 -0.5018 -0.5018 -0.4347 -0.4347 -0.2183 -0.2183 -0.1581 -0.1581 -0.0966 -0.0966 0.0944 0.0944 0.2471 0.2471 0.3849 0.3849 0.4387 0.4387 0.5366 0.5366 5.3710 5.3710 5.5677 5.5677 5.7837 5.7837 5.8414 5.8414 7.4276 7.4276 k = 0.0179-0.0104 0.0000 ( 10885 PWs) bands (ev): -13.7798 -13.7798 -13.4627 -13.4627 -12.7806 -12.7806 -12.7632 -12.7632 -12.7354 -12.7354 -12.7239 -12.7239 -6.6692 -6.6692 -5.1073 -5.1073 -2.9627 -2.9627 -2.8124 -2.8124 -2.6660 -2.6660 -2.5867 -2.5867 -2.3665 -2.3665 -0.6308 -0.6308 -0.5980 -0.5980 -0.4932 -0.4932 -0.4382 -0.4382 -0.2101 -0.2101 -0.1599 -0.1599 -0.1080 -0.1080 0.0893 0.0893 0.2500 0.2500 0.3846 0.3846 0.4430 0.4430 0.5408 0.5408 5.3680 5.3680 5.5698 5.5698 5.7740 5.7740 5.8445 5.8445 7.4313 7.4313 k = 0.0000 0.0000 0.0000 ( 10883 PWs) bands (ev): -13.7801 -13.7801 -13.4630 -13.4630 -12.7802 -12.7802 -12.7630 -12.7630 -12.7354 -12.7354 -12.7238 -12.7238 -6.6696 -6.6696 -5.1075 -5.1075 -2.9628 -2.9628 -2.8119 -2.8119 -2.6663 -2.6663 -2.5872 -2.5872 -2.3675 -2.3675 -0.6300 -0.6300 -0.5983 -0.5983 -0.4899 -0.4899 -0.4398 -0.4398 -0.2064 -0.2064 -0.1610 -0.1610 -0.1123 -0.1123 0.0876 0.0876 0.2509 0.2509 0.3846 0.3846 0.4445 0.4445 0.5422 0.5422 5.3669 5.3669 5.5705 5.5705 5.7707 5.7707 5.8455 5.8455 7.4325 7.4326 k = 0.0000 0.0000 0.0000 ( 10883 PWs) bands (ev): -13.7801 -13.7801 -13.4630 -13.4630 -12.7802 -12.7802 -12.7630 -12.7630 -12.7354 -12.7354 -12.7238 -12.7238 -6.6696 -6.6696 -5.1075 -5.1075 -2.9628 -2.9628 -2.8119 -2.8119 -2.6663 -2.6663 -2.5872 -2.5872 -2.3675 -2.3675 -0.6300 -0.6300 -0.5983 -0.5983 -0.4899 -0.4899 -0.4398 -0.4398 -0.2064 -0.2064 -0.1610 -0.1610 -0.1123 -0.1123 0.0876 0.0876 0.2509 0.2509 0.3846 0.3846 0.4445 0.4445 0.5422 0.5422 5.3669 5.3669 5.5705 5.5705 5.7707 5.7707 5.8455 5.8455 7.4325 7.4326 k = 0.0172 0.0099-0.0057 ( 10878 PWs) bands (ev): -13.7798 -13.7798 -13.4628 -13.4628 -12.7803 -12.7803 -12.7633 -12.7633 -12.7356 -12.7356 -12.7239 -12.7239 -6.6693 -6.6693 -5.1075 -5.1075 -2.9624 -2.9624 -2.8117 -2.8117 -2.6659 -2.6659 -2.5864 -2.5864 -2.3674 -2.3674 -0.6387 -0.6387 -0.5897 -0.5897 -0.4929 -0.4929 -0.4385 -0.4385 -0.2113 -0.2113 -0.1594 -0.1594 -0.1087 -0.1087 0.0893 0.0893 0.2497 0.2497 0.3842 0.3842 0.4431 0.4431 0.5413 0.5413 5.3680 5.3680 5.5713 5.5713 5.7715 5.7715 5.8472 5.8472 7.4173 7.4173 k = 0.0345 0.0197-0.0115 ( 10870 PWs) bands (ev): -13.7789 -13.7789 -13.4623 -13.4623 -12.7807 -12.7807 -12.7643 -12.7643 -12.7360 -12.7360 -12.7243 -12.7243 -6.6681 -6.6681 -5.1075 -5.1075 -2.9613 -2.9613 -2.8110 -2.8110 -2.6645 -2.6645 -2.5839 -2.5839 -2.3671 -2.3671 -0.6546 -0.6546 -0.5747 -0.5747 -0.5000 -0.5000 -0.4357 -0.4357 -0.2225 -0.2225 -0.1572 -0.1572 -0.0985 -0.0985 0.0943 0.0943 0.2458 0.2458 0.3833 0.3833 0.4393 0.4393 0.5384 0.5384 5.3710 5.3710 5.5737 5.5737 5.7734 5.7734 5.8526 5.8526 7.4009 7.4009 k = 0.0517 0.0296-0.0172 ( 10863 PWs) bands (ev): -13.7773 -13.7773 -13.4615 -13.4615 -12.7813 -12.7813 -12.7660 -12.7660 -12.7367 -12.7367 -12.7248 -12.7248 -6.6662 -6.6662 -5.1075 -5.1075 -2.9595 -2.9595 -2.8098 -2.8098 -2.6623 -2.6623 -2.5799 -2.5799 -2.3666 -2.3666 -0.6715 -0.6715 -0.5626 -0.5626 -0.5062 -0.5062 -0.4337 -0.4337 -0.2358 -0.2358 -0.1569 -0.1569 -0.0834 -0.0834 0.1022 0.1022 0.2391 0.2391 0.3817 0.3817 0.4333 0.4333 0.5338 0.5338 5.3759 5.3759 5.5777 5.5777 5.7755 5.7755 5.8624 5.8624 7.3847 7.3847 k = 0.0690 0.0395-0.0230 ( 10856 PWs) bands (ev): -13.7750 -13.7750 -13.4603 -13.4603 -12.7823 -12.7823 -12.7683 -12.7683 -12.7377 -12.7377 -12.7255 -12.7255 -6.6636 -6.6636 -5.1075 -5.1075 -2.9570 -2.9570 -2.8081 -2.8081 -2.6594 -2.6594 -2.5745 -2.5745 -2.3655 -2.3655 -0.6882 -0.6882 -0.5607 -0.5607 -0.5043 -0.5043 -0.4335 -0.4335 -0.2489 -0.2489 -0.1582 -0.1582 -0.0657 -0.0657 0.1123 0.1123 0.2295 0.2295 0.3797 0.3797 0.4259 0.4259 0.5278 0.5278 5.3822 5.3822 5.5834 5.5834 5.7768 5.7768 5.8770 5.8770 7.3689 7.3689 k = 0.0862 0.0493-0.0287 ( 10852 PWs) bands (ev): -13.7722 -13.7722 -13.4589 -13.4589 -12.7836 -12.7836 -12.7710 -12.7710 -12.7391 -12.7391 -12.7263 -12.7263 -6.6602 -6.6602 -5.1075 -5.1075 -2.9537 -2.9537 -2.8059 -2.8059 -2.6559 -2.6559 -2.5679 -2.5679 -2.3638 -2.3638 -0.7044 -0.7044 -0.5700 -0.5700 -0.4935 -0.4935 -0.4354 -0.4354 -0.2608 -0.2608 -0.1607 -0.1607 -0.0466 -0.0466 0.1237 0.1237 0.2167 0.2167 0.3772 0.3772 0.4182 0.4182 0.5207 0.5207 5.3897 5.3897 5.5906 5.5906 5.7767 5.7767 5.8965 5.8965 7.3538 7.3538 k = 0.1034 0.0592-0.0345 ( 10856 PWs) bands (ev): -13.7688 -13.7688 -13.4571 -13.4571 -12.7855 -12.7855 -12.7739 -12.7739 -12.7407 -12.7407 -12.7274 -12.7274 -6.6562 -6.6562 -5.1075 -5.1075 -2.9499 -2.9499 -2.8030 -2.8030 -2.6519 -2.6519 -2.5604 -2.5604 -2.3611 -2.3611 -0.7200 -0.7200 -0.5846 -0.5846 -0.4812 -0.4812 -0.4385 -0.4385 -0.2706 -0.2706 -0.1639 -0.1639 -0.0272 -0.0272 0.1353 0.1353 0.2008 0.2008 0.3745 0.3745 0.4111 0.4111 0.5130 0.5130 5.3978 5.3978 5.5994 5.5994 5.7751 5.7751 5.9200 5.9200 7.3394 7.3394 k = 0.1207 0.0691-0.0402 ( 10855 PWs) bands (ev): -13.7648 -13.7648 -13.4551 -13.4551 -12.7882 -12.7882 -12.7769 -12.7769 -12.7427 -12.7427 -12.7286 -12.7286 -6.6516 -6.6516 -5.1075 -5.1075 -2.9454 -2.9454 -2.7996 -2.7996 -2.6476 -2.6476 -2.5524 -2.5524 -2.3572 -2.3572 -0.7350 -0.7350 -0.6013 -0.6013 -0.4742 -0.4742 -0.4397 -0.4397 -0.2774 -0.2774 -0.1677 -0.1677 -0.0081 -0.0081 0.1454 0.1454 0.1827 0.1827 0.3716 0.3716 0.4059 0.4059 0.5054 0.5054 5.4061 5.4061 5.6096 5.6096 5.7724 5.7724 5.9466 5.9466 7.3257 7.3257 k = 0.1379 0.0789-0.0460 ( 10857 PWs) bands (ev): -13.7603 -13.7603 -13.4529 -13.4529 -12.7919 -12.7919 -12.7795 -12.7795 -12.7449 -12.7449 -12.7299 -12.7299 -6.6463 -6.6463 -5.1074 -5.1074 -2.9403 -2.9403 -2.7955 -2.7955 -2.6432 -2.6432 -2.5441 -2.5441 -2.3515 -2.3515 -0.7493 -0.7493 -0.6186 -0.6186 -0.4771 -0.4771 -0.4367 -0.4367 -0.2804 -0.2804 -0.1719 -0.1719 0.0098 0.0098 0.1480 0.1480 0.1677 0.1677 0.3689 0.3689 0.4032 0.4032 0.4985 0.4985 5.4139 5.4139 5.6209 5.6209 5.7689 5.7689 5.9750 5.9750 7.3125 7.3125 k = 0.1552 0.0888-0.0517 ( 10866 PWs) bands (ev): -13.7553 -13.7553 -13.4504 -13.4504 -12.7967 -12.7967 -12.7817 -12.7817 -12.7475 -12.7475 -12.7313 -12.7313 -6.6405 -6.6405 -5.1073 -5.1073 -2.9348 -2.9348 -2.7908 -2.7908 -2.6389 -2.6389 -2.5359 -2.5359 -2.3440 -2.3440 -0.7629 -0.7629 -0.6358 -0.6358 -0.4870 -0.4870 -0.4339 -0.4339 -0.2794 -0.2794 -0.1764 -0.1764 0.0250 0.0250 0.1319 0.1319 0.1681 0.1681 0.3665 0.3665 0.4036 0.4036 0.4932 0.4932 5.4209 5.4209 5.6330 5.6330 5.7649 5.7649 6.0040 6.0040 7.2995 7.2995 k = 0.1724 0.0987-0.0575 ( 10868 PWs) bands (ev): -13.7498 -13.7498 -13.4477 -13.4477 -12.8023 -12.8023 -12.7837 -12.7837 -12.7503 -12.7503 -12.7328 -12.7328 -6.6343 -6.6343 -5.1072 -5.1072 -2.9287 -2.9287 -2.7855 -2.7855 -2.6348 -2.6348 -2.5280 -2.5280 -2.3344 -2.3344 -0.7759 -0.7759 -0.6525 -0.6525 -0.5002 -0.5002 -0.4350 -0.4350 -0.2753 -0.2753 -0.1802 -0.1802 0.0337 0.0337 0.1133 0.1133 0.1714 0.1714 0.3645 0.3645 0.4066 0.4066 0.4905 0.4905 5.4264 5.4264 5.6456 5.6456 5.7609 5.7609 6.0324 6.0324 7.2863 7.2863 k = 0.1897 0.1085-0.0632 ( 10866 PWs) bands (ev): -13.7439 -13.7439 -13.4448 -13.4448 -12.8085 -12.8085 -12.7854 -12.7854 -12.7533 -12.7533 -12.7345 -12.7345 -6.6275 -6.6275 -5.1071 -5.1071 -2.9222 -2.9222 -2.7796 -2.7796 -2.6312 -2.6312 -2.5205 -2.5205 -2.3226 -2.3226 -0.7880 -0.7880 -0.6687 -0.6687 -0.5154 -0.5154 -0.4408 -0.4408 -0.2710 -0.2710 -0.1821 -0.1821 0.0288 0.0288 0.1042 0.1042 0.1734 0.1734 0.3630 0.3630 0.4114 0.4114 0.4917 0.4917 5.4301 5.4301 5.6581 5.6581 5.7573 5.7573 6.0591 6.0591 7.2725 7.2725 k = 0.2069 0.1184-0.0690 ( 10859 PWs) bands (ev): -13.7377 -13.7377 -13.4418 -13.4418 -12.8153 -12.8153 -12.7870 -12.7870 -12.7565 -12.7565 -12.7362 -12.7362 -6.6205 -6.6205 -5.1069 -5.1069 -2.9153 -2.9153 -2.7732 -2.7732 -2.6281 -2.6281 -2.5134 -2.5134 -2.3088 -2.3088 -0.7993 -0.7993 -0.6840 -0.6840 -0.5316 -0.5316 -0.4505 -0.4505 -0.2707 -0.2707 -0.1797 -0.1797 0.0096 0.0096 0.1062 0.1062 0.1747 0.1747 0.3619 0.3619 0.4170 0.4170 0.4975 0.4975 5.4315 5.4315 5.6700 5.6700 5.7547 5.7547 6.0831 6.0831 7.2580 7.2580 k = 0.2241 0.1283-0.0747 ( 10856 PWs) bands (ev): -13.7311 -13.7311 -13.4386 -13.4386 -12.8224 -12.8224 -12.7886 -12.7886 -12.7599 -12.7599 -12.7380 -12.7380 -6.6132 -6.6132 -5.1067 -5.1067 -2.9080 -2.9080 -2.7664 -2.7664 -2.6257 -2.6257 -2.5066 -2.5066 -2.2932 -2.2932 -0.8098 -0.8098 -0.6985 -0.6985 -0.5486 -0.5486 -0.4631 -0.4631 -0.2774 -0.2774 -0.1718 -0.1718 -0.0162 -0.0162 0.1113 0.1113 0.1769 0.1769 0.3611 0.3611 0.4228 0.4228 0.5082 0.5082 5.4304 5.4304 5.6804 5.6804 5.7540 5.7540 6.1034 6.1034 7.2425 7.2425 k = 0.2414 0.1382-0.0804 ( 10858 PWs) bands (ev): -13.7244 -13.7244 -13.4355 -13.4355 -12.8298 -12.8298 -12.7900 -12.7900 -12.7634 -12.7634 -12.7398 -12.7398 -6.6056 -6.6056 -5.1064 -5.1064 -2.9005 -2.9005 -2.7592 -2.7592 -2.6241 -2.6241 -2.4999 -2.4999 -2.2763 -2.2763 -0.8193 -0.8193 -0.7121 -0.7121 -0.5659 -0.5659 -0.4777 -0.4777 -0.2912 -0.2912 -0.1600 -0.1600 -0.0433 -0.0433 0.1142 0.1142 0.1814 0.1814 0.3610 0.3610 0.4290 0.4290 0.5227 0.5227 5.4267 5.4267 5.6883 5.6883 5.7560 5.7560 6.1194 6.1194 7.2261 7.2261 k = 0.2586 0.1480-0.0862 ( 10867 PWs) bands (ev): -13.7174 -13.7174 -13.4322 -13.4322 -12.8374 -12.8374 -12.7915 -12.7915 -12.7670 -12.7670 -12.7417 -12.7417 -6.5980 -6.5980 -5.1062 -5.1062 -2.8926 -2.8926 -2.7519 -2.7519 -2.6232 -2.6232 -2.4933 -2.4933 -2.2583 -2.2583 -0.8279 -0.8279 -0.7248 -0.7248 -0.5833 -0.5833 -0.4937 -0.4937 -0.3107 -0.3107 -0.1467 -0.1467 -0.0693 -0.0693 0.1135 0.1135 0.1884 0.1884 0.3619 0.3619 0.4361 0.4361 0.5399 0.5399 5.4203 5.4203 5.6933 5.6933 5.7614 5.7614 6.1306 6.1306 7.2088 7.2088 k = 0.2759 0.1579-0.0919 ( 10861 PWs) bands (ev): -13.7103 -13.7103 -13.4290 -13.4290 -12.8451 -12.8451 -12.7928 -12.7928 -12.7706 -12.7706 -12.7436 -12.7436 -6.5904 -6.5904 -5.1058 -5.1058 -2.8846 -2.8846 -2.7445 -2.7445 -2.6231 -2.6231 -2.4865 -2.4865 -2.2397 -2.2397 -0.8357 -0.8357 -0.7366 -0.7366 -0.6005 -0.6005 -0.5104 -0.5104 -0.3346 -0.3346 -0.1344 -0.1344 -0.0922 -0.0922 0.1098 0.1098 0.1967 0.1967 0.3643 0.3643 0.4441 0.4441 0.5586 0.5586 5.4115 5.4115 5.6953 5.6953 5.7699 5.7699 6.1371 6.1371 7.1908 7.1908 k = 0.2931 0.1678-0.0977 ( 10857 PWs) bands (ev): -13.7032 -13.7032 -13.4258 -13.4258 -12.8528 -12.8528 -12.7941 -12.7941 -12.7743 -12.7743 -12.7455 -12.7455 -6.5828 -6.5828 -5.1055 -5.1055 -2.8764 -2.8764 -2.7372 -2.7372 -2.6236 -2.6236 -2.4797 -2.4797 -2.2209 -2.2209 -0.8427 -0.8427 -0.7474 -0.7474 -0.6171 -0.6171 -0.5275 -0.5275 -0.3615 -0.3615 -0.1305 -0.1305 -0.1054 -0.1054 0.1043 0.1043 0.2049 0.2049 0.3689 0.3689 0.4533 0.4533 0.5778 0.5778 5.4004 5.4004 5.6954 5.6954 5.7806 5.7806 6.1387 6.1387 7.1721 7.1721 k = 0.3103 0.1776-0.1034 ( 10854 PWs) bands (ev): -13.6962 -13.6962 -13.4228 -13.4228 -12.8604 -12.8604 -12.7953 -12.7953 -12.7778 -12.7778 -12.7474 -12.7474 -6.5754 -6.5754 -5.1052 -5.1052 -2.8681 -2.8681 -2.7300 -2.7300 -2.6247 -2.6247 -2.4729 -2.4729 -2.2022 -2.2022 -0.8491 -0.8491 -0.7572 -0.7572 -0.6328 -0.6328 -0.5447 -0.5447 -0.3903 -0.3903 -0.1436 -0.1436 -0.1009 -0.1009 0.0977 0.0977 0.2119 0.2119 0.3760 0.3760 0.4633 0.4633 0.5969 0.5969 5.3876 5.3876 5.6942 5.6942 5.7927 5.7927 6.1360 6.1360 7.1530 7.1530 k = 0.3276 0.1875-0.1092 ( 10859 PWs) bands (ev): -13.6894 -13.6894 -13.4198 -13.4198 -12.8677 -12.8677 -12.7964 -12.7964 -12.7812 -12.7812 -12.7492 -12.7492 -6.5682 -6.5682 -5.1048 -5.1048 -2.8599 -2.8599 -2.7232 -2.7232 -2.6261 -2.6261 -2.4661 -2.4661 -2.1840 -2.1840 -0.8553 -0.8553 -0.7659 -0.7659 -0.6471 -0.6471 -0.5618 -0.5618 -0.4198 -0.4198 -0.1603 -0.1603 -0.0922 -0.0922 0.0906 0.0906 0.2175 0.2175 0.3857 0.3857 0.4739 0.4739 0.6153 0.6153 5.3736 5.3736 5.6923 5.6923 5.8055 5.8055 6.1294 6.1294 7.1336 7.1336 k = 0.3448 0.1974-0.1149 ( 10860 PWs) bands (ev): -13.6827 -13.6827 -13.4170 -13.4170 -12.8748 -12.8748 -12.7974 -12.7974 -12.7845 -12.7845 -12.7509 -12.7509 -6.5614 -6.5614 -5.1045 -5.1045 -2.8518 -2.8518 -2.7166 -2.7166 -2.6279 -2.6279 -2.4595 -2.4595 -2.1667 -2.1667 -0.8616 -0.8616 -0.7732 -0.7732 -0.6596 -0.6596 -0.5785 -0.5785 -0.4491 -0.4491 -0.1761 -0.1761 -0.0843 -0.0843 0.0831 0.0831 0.2215 0.2215 0.3977 0.3977 0.4845 0.4845 0.6327 0.6327 5.3588 5.3588 5.6900 5.6900 5.8187 5.8187 6.1194 6.1194 7.1139 7.1139 k = 0.3621 0.2072-0.1207 ( 10863 PWs) bands (ev): -13.6764 -13.6764 -13.4145 -13.4145 -12.8814 -12.8814 -12.7983 -12.7983 -12.7876 -12.7876 -12.7526 -12.7526 -6.5550 -6.5550 -5.1042 -5.1042 -2.8439 -2.8439 -2.7105 -2.7105 -2.6299 -2.6299 -2.4532 -2.4532 -2.1503 -2.1503 -0.8683 -0.8683 -0.7789 -0.7789 -0.6701 -0.6701 -0.5946 -0.5946 -0.4775 -0.4775 -0.1905 -0.1905 -0.0777 -0.0777 0.0757 0.0757 0.2241 0.2241 0.4114 0.4114 0.4947 0.4947 0.6488 0.6488 5.3438 5.3438 5.6877 5.6877 5.8319 5.8319 6.1069 6.1069 7.0939 7.0939 k = 0.3793 0.2171-0.1264 ( 10859 PWs) bands (ev): -13.6706 -13.6706 -13.4121 -13.4121 -12.8876 -12.8876 -12.7991 -12.7991 -12.7904 -12.7904 -12.7541 -12.7541 -6.5491 -6.5491 -5.1039 -5.1039 -2.8364 -2.8364 -2.7049 -2.7049 -2.6321 -2.6321 -2.4474 -2.4474 -2.1353 -2.1353 -0.8757 -0.8757 -0.7828 -0.7828 -0.6784 -0.6784 -0.6098 -0.6098 -0.5042 -0.5042 -0.2033 -0.2033 -0.0724 -0.0724 0.0684 0.0684 0.2257 0.2257 0.4262 0.4262 0.5042 0.5042 0.6634 0.6634 5.3292 5.3292 5.6853 5.6853 5.8450 5.8450 6.0926 6.0926 7.0740 7.0740 k = 0.3966 0.2270-0.1322 ( 10863 PWs) bands (ev): -13.6653 -13.6653 -13.4100 -13.4100 -12.8931 -12.8931 -12.7998 -12.7998 -12.7930 -12.7930 -12.7555 -12.7555 -6.5438 -6.5438 -5.1036 -5.1036 -2.8295 -2.8295 -2.6998 -2.6998 -2.6342 -2.6342 -2.4422 -2.4422 -2.1218 -2.1218 -0.8837 -0.8837 -0.7848 -0.7848 -0.6846 -0.6846 -0.6236 -0.6236 -0.5290 -0.5290 -0.2145 -0.2145 -0.0683 -0.0683 0.0615 0.0615 0.2267 0.2267 0.4414 0.4414 0.5125 0.5125 0.6762 0.6762 5.3153 5.3153 5.6831 5.6831 5.8578 5.8578 6.0772 6.0772 7.0546 7.0546 k = 0.4138 0.2368-0.1379 ( 10870 PWs) bands (ev): -13.6606 -13.6606 -13.4082 -13.4082 -12.8980 -12.8980 -12.8005 -12.8005 -12.7951 -12.7951 -12.7567 -12.7567 -6.5393 -6.5393 -5.1034 -5.1034 -2.8233 -2.8233 -2.6952 -2.6952 -2.6364 -2.6364 -2.4376 -2.4376 -2.1099 -2.1099 -0.8920 -0.8920 -0.7849 -0.7849 -0.6894 -0.6894 -0.6353 -0.6353 -0.5516 -0.5516 -0.2242 -0.2242 -0.0652 -0.0652 0.0552 0.0552 0.2272 0.2272 0.4561 0.4561 0.5195 0.5195 0.6872 0.6872 5.3028 5.3028 5.6811 5.6811 5.8702 5.8702 6.0613 6.0613 7.0367 7.0367 k = 0.4310 0.2467-0.1437 ( 10866 PWs) bands (ev): -13.6567 -13.6567 -13.4067 -13.4067 -12.9021 -12.9021 -12.8011 -12.8011 -12.7969 -12.7969 -12.7577 -12.7577 -6.5354 -6.5354 -5.1032 -5.1032 -2.8180 -2.8180 -2.6912 -2.6912 -2.6383 -2.6383 -2.4339 -2.4339 -2.1000 -2.1000 -0.8999 -0.8999 -0.7836 -0.7836 -0.6935 -0.6935 -0.6437 -0.6437 -0.5720 -0.5720 -0.2321 -0.2321 -0.0629 -0.0629 0.0497 0.0497 0.2274 0.2274 0.4697 0.4697 0.5247 0.5247 0.6963 0.6963 5.2920 5.2920 5.6794 5.6794 5.8821 5.8821 6.0458 6.0458 7.0210 7.0210 k = 0.4483 0.2566-0.1494 ( 10873 PWs) bands (ev): -13.6535 -13.6535 -13.4055 -13.4055 -12.9053 -12.9053 -12.8016 -12.8016 -12.7982 -12.7982 -12.7585 -12.7585 -6.5324 -6.5324 -5.1030 -5.1030 -2.8137 -2.8137 -2.6880 -2.6880 -2.6401 -2.6401 -2.4309 -2.4309 -2.0921 -2.0921 -0.9070 -0.9070 -0.7812 -0.7812 -0.6980 -0.6980 -0.6477 -0.6477 -0.5900 -0.5900 -0.2384 -0.2384 -0.0613 -0.0613 0.0452 0.0452 0.2274 0.2274 0.4817 0.4817 0.5283 0.5283 0.7034 0.7034 5.2832 5.2832 5.6780 5.6780 5.8930 5.8930 6.0316 6.0316 7.0083 7.0083 k = 0.4655 0.2664-0.1551 ( 10872 PWs) bands (ev): -13.6512 -13.6512 -13.4047 -13.4047 -12.9077 -12.9077 -12.8021 -12.8021 -12.7991 -12.7991 -12.7591 -12.7591 -6.5301 -6.5301 -5.1029 -5.1029 -2.8105 -2.8105 -2.6855 -2.6855 -2.6415 -2.6415 -2.4288 -2.4288 -2.0863 -2.0863 -0.9125 -0.9125 -0.7785 -0.7785 -0.7027 -0.7027 -0.6470 -0.6470 -0.6057 -0.6057 -0.2430 -0.2430 -0.0602 -0.0602 0.0418 0.0418 0.2274 0.2274 0.4912 0.4912 0.5302 0.5302 0.7085 0.7085 5.2767 5.2767 5.6770 5.6770 5.9023 5.9023 6.0196 6.0196 6.9989 6.9989 k = 0.4828 0.2763-0.1609 ( 10871 PWs) bands (ev): -13.6498 -13.6498 -13.4042 -13.4042 -12.9092 -12.9092 -12.8024 -12.8024 -12.7996 -12.7996 -12.7595 -12.7595 -6.5288 -6.5288 -5.1029 -5.1029 -2.8086 -2.8086 -2.6840 -2.6840 -2.6424 -2.6424 -2.4275 -2.4275 -2.0828 -2.0828 -0.9160 -0.9160 -0.7763 -0.7763 -0.7065 -0.7065 -0.6427 -0.6427 -0.6185 -0.6185 -0.2457 -0.2457 -0.0595 -0.0595 0.0398 0.0398 0.2274 0.2274 0.4976 0.4976 0.5308 0.5308 0.7116 0.7116 5.2728 5.2728 5.6764 5.6764 5.9089 5.9089 6.0112 6.0112 6.9932 6.9932 k = 0.5000 0.2862-0.1666 ( 10860 PWs) bands (ev): -13.6493 -13.6493 -13.4040 -13.4040 -12.9096 -12.9096 -12.8025 -12.8025 -12.7998 -12.7998 -12.7596 -12.7596 -6.5284 -6.5284 -5.1028 -5.1028 -2.8079 -2.8079 -2.6834 -2.6834 -2.6427 -2.6427 -2.4271 -2.4271 -2.0816 -2.0816 -0.9172 -0.9172 -0.7754 -0.7754 -0.7080 -0.7080 -0.6388 -0.6388 -0.6251 -0.6251 -0.2466 -0.2466 -0.0593 -0.0593 0.0391 0.0391 0.2274 0.2274 0.4999 0.4999 0.5309 0.5309 0.7126 0.7126 5.2714 5.2714 5.6763 5.6763 5.9113 5.9113 6.0082 6.0082 6.9912 6.9912 k = 0.5000 0.2862 0.2977 ( 10886 PWs) bands (ev): -13.6098 -13.6098 -13.4478 -13.4478 -12.8728 -12.8728 -12.8303 -12.8303 -12.8273 -12.8273 -12.7409 -12.7409 -6.5516 -6.5516 -5.0310 -5.0310 -2.9789 -2.9789 -2.6121 -2.6121 -2.4846 -2.4846 -2.3082 -2.3082 -2.1373 -2.1373 -1.0891 -1.0891 -0.9369 -0.9369 -0.8096 -0.8096 -0.7637 -0.7637 -0.4055 -0.4055 -0.2489 -0.2489 -0.0821 -0.0821 -0.0062 -0.0062 0.3427 0.3427 0.4184 0.4184 0.6182 0.6182 0.9039 0.9039 5.1542 5.1542 5.5044 5.5044 5.8819 5.8819 5.9296 5.9296 7.1527 7.1527 k = 0.4839 0.2769 0.2881 ( 10885 PWs) bands (ev): -13.6105 -13.6105 -13.4477 -13.4477 -12.8725 -12.8725 -12.8301 -12.8301 -12.8272 -12.8272 -12.7409 -12.7409 -6.5519 -6.5519 -5.0312 -5.0312 -2.9791 -2.9791 -2.6135 -2.6135 -2.4839 -2.4839 -2.3088 -2.3088 -2.1381 -2.1381 -1.0885 -1.0885 -0.9367 -0.9367 -0.8111 -0.8111 -0.7586 -0.7586 -0.4052 -0.4052 -0.2485 -0.2485 -0.0822 -0.0822 -0.0056 -0.0056 0.3427 0.3427 0.4172 0.4172 0.6170 0.6170 0.9029 0.9029 5.1558 5.1558 5.5046 5.5046 5.8823 5.8823 5.9302 5.9302 7.1540 7.1540 k = 0.4677 0.2677 0.2785 ( 10890 PWs) bands (ev): -13.6123 -13.6123 -13.4475 -13.4475 -12.8715 -12.8715 -12.8293 -12.8293 -12.8267 -12.8267 -12.7408 -12.7408 -6.5529 -6.5529 -5.0318 -5.0318 -2.9794 -2.9794 -2.6178 -2.6178 -2.4821 -2.4821 -2.3105 -2.3105 -2.1406 -2.1406 -1.0867 -1.0867 -0.9359 -0.9359 -0.8139 -0.8139 -0.7450 -0.7450 -0.4042 -0.4042 -0.2471 -0.2471 -0.0825 -0.0825 -0.0038 -0.0038 0.3427 0.3427 0.4139 0.4139 0.6133 0.6133 0.8998 0.8998 5.1605 5.1605 5.5051 5.5051 5.8834 5.8834 5.9320 5.9320 7.1579 7.1579 k = 0.4516 0.2585 0.2689 ( 10887 PWs) bands (ev): -13.6153 -13.6153 -13.4471 -13.4471 -12.8699 -12.8699 -12.8281 -12.8281 -12.8259 -12.8259 -12.7406 -12.7406 -6.5546 -6.5546 -5.0329 -5.0329 -2.9800 -2.9800 -2.6245 -2.6245 -2.4796 -2.4796 -2.3134 -2.3134 -2.1446 -2.1446 -1.0837 -1.0837 -0.9342 -0.9342 -0.8161 -0.8161 -0.7253 -0.7253 -0.4025 -0.4025 -0.2450 -0.2450 -0.0829 -0.0829 -0.0010 -0.0010 0.3426 0.3426 0.4086 0.4086 0.6072 0.6072 0.8947 0.8947 5.1682 5.1682 5.5059 5.5059 5.8846 5.8846 5.9356 5.9356 7.1644 7.1644 k = 0.4355 0.2493 0.2593 ( 10885 PWs) bands (ev): -13.6195 -13.6195 -13.4467 -13.4467 -12.8678 -12.8678 -12.8265 -12.8265 -12.8248 -12.8248 -12.7404 -12.7404 -6.5568 -6.5568 -5.0343 -5.0343 -2.9808 -2.9808 -2.6331 -2.6331 -2.4767 -2.4767 -2.3175 -2.3175 -2.1500 -2.1500 -1.0793 -1.0793 -0.9315 -0.9315 -0.8168 -0.8168 -0.7011 -0.7011 -0.4002 -0.4002 -0.2422 -0.2422 -0.0833 -0.0833 0.0028 0.0028 0.3419 0.3419 0.4018 0.4018 0.5989 0.5989 0.8875 0.8875 5.1787 5.1787 5.5070 5.5070 5.8853 5.8853 5.9412 5.9412 7.1732 7.1732 k = 0.4194 0.2400 0.2497 ( 10887 PWs) bands (ev): -13.6245 -13.6245 -13.4463 -13.4463 -12.8651 -12.8651 -12.8247 -12.8247 -12.8230 -12.8230 -12.7401 -12.7401 -6.5597 -6.5597 -5.0362 -5.0362 -2.9817 -2.9817 -2.6432 -2.6432 -2.4740 -2.4740 -2.3230 -2.3230 -2.1566 -2.1566 -1.0734 -1.0734 -0.9273 -0.9273 -0.8156 -0.8156 -0.6731 -0.6731 -0.3971 -0.3971 -0.2390 -0.2390 -0.0834 -0.0834 0.0074 0.0074 0.3397 0.3397 0.3944 0.3944 0.5886 0.5886 0.8784 0.8784 5.1917 5.1917 5.5083 5.5083 5.8850 5.8850 5.9490 5.9490 7.1843 7.1843 k = 0.4032 0.2308 0.2401 ( 10889 PWs) bands (ev): -13.6305 -13.6305 -13.4459 -13.4459 -12.8619 -12.8619 -12.8230 -12.8230 -12.8204 -12.8204 -12.7398 -12.7398 -6.5631 -6.5631 -5.0384 -5.0384 -2.9826 -2.9826 -2.6544 -2.6544 -2.4718 -2.4718 -2.3298 -2.3298 -2.1643 -2.1643 -1.0659 -1.0659 -0.9218 -0.9218 -0.8126 -0.8126 -0.6420 -0.6420 -0.3933 -0.3933 -0.2355 -0.2355 -0.0831 -0.0831 0.0127 0.0127 0.3348 0.3348 0.3878 0.3878 0.5767 0.5767 0.8673 0.8673 5.2071 5.2071 5.5097 5.5097 5.8834 5.8834 5.9589 5.9589 7.1971 7.1971 k = 0.3871 0.2216 0.2305 ( 10893 PWs) bands (ev): -13.6372 -13.6372 -13.4456 -13.4456 -12.8582 -12.8582 -12.8212 -12.8212 -12.8172 -12.8172 -12.7394 -12.7394 -6.5671 -6.5671 -5.0409 -5.0409 -2.9834 -2.9834 -2.6663 -2.6663 -2.4703 -2.4703 -2.3380 -2.3380 -2.1729 -2.1729 -1.0566 -1.0566 -0.9152 -0.9152 -0.8074 -0.8074 -0.6085 -0.6085 -0.3887 -0.3887 -0.2319 -0.2319 -0.0825 -0.0825 0.0186 0.0186 0.3259 0.3259 0.3835 0.3835 0.5634 0.5634 0.8543 0.8543 5.2244 5.2244 5.5112 5.5112 5.8807 5.8807 5.9704 5.9704 7.2108 7.2108 k = 0.3710 0.2123 0.2208 ( 10899 PWs) bands (ev): -13.6444 -13.6444 -13.4454 -13.4454 -12.8542 -12.8542 -12.8192 -12.8192 -12.8136 -12.8136 -12.7390 -12.7390 -6.5715 -6.5715 -5.0437 -5.0437 -2.9842 -2.9842 -2.6788 -2.6788 -2.4698 -2.4698 -2.3477 -2.3477 -2.1823 -2.1823 -1.0452 -1.0452 -0.9077 -0.9077 -0.8000 -0.8000 -0.5733 -0.5733 -0.3832 -0.3832 -0.2285 -0.2285 -0.0814 -0.0814 0.0251 0.0251 0.3128 0.3128 0.3819 0.3819 0.5491 0.5491 0.8395 0.8395 5.2432 5.2432 5.5124 5.5124 5.8771 5.8771 5.9827 5.9827 7.2236 7.2236 k = 0.3548 0.2031 0.2112 ( 10896 PWs) bands (ev): -13.6522 -13.6522 -13.4454 -13.4454 -12.8499 -12.8499 -12.8170 -12.8170 -12.8096 -12.8096 -12.7386 -12.7386 -6.5763 -6.5763 -5.0469 -5.0469 -2.9848 -2.9848 -2.6915 -2.6915 -2.4702 -2.4702 -2.3587 -2.3587 -2.1924 -2.1924 -1.0316 -1.0316 -0.8995 -0.8995 -0.7902 -0.7902 -0.5373 -0.5373 -0.3763 -0.3763 -0.2253 -0.2253 -0.0800 -0.0800 0.0322 0.0322 0.2961 0.2961 0.3823 0.3823 0.5344 0.5344 0.8229 0.8229 5.2632 5.2632 5.5134 5.5134 5.8726 5.8726 5.9954 5.9954 7.2327 7.2327 k = 0.3387 0.1939 0.2016 ( 10897 PWs) bands (ev): -13.6603 -13.6603 -13.4455 -13.4455 -12.8454 -12.8454 -12.8146 -12.8146 -12.8052 -12.8052 -12.7381 -12.7381 -6.5815 -6.5815 -5.0502 -5.0502 -2.9851 -2.9851 -2.7044 -2.7044 -2.4718 -2.4718 -2.3709 -2.3709 -2.2031 -2.2031 -1.0158 -1.0158 -0.8909 -0.8909 -0.7782 -0.7782 -0.5016 -0.5016 -0.3677 -0.3677 -0.2223 -0.2223 -0.0785 -0.0785 0.0399 0.0399 0.2768 0.2768 0.3840 0.3840 0.5195 0.5195 0.8046 0.8046 5.2840 5.2840 5.5138 5.5138 5.8676 5.8676 6.0076 6.0076 7.2378 7.2378 k = 0.3226 0.1846 0.1920 ( 10893 PWs) bands (ev): -13.6687 -13.6687 -13.4459 -13.4459 -12.8407 -12.8407 -12.8120 -12.8120 -12.8006 -12.8006 -12.7376 -12.7376 -6.5870 -6.5870 -5.0538 -5.0538 -2.9851 -2.9851 -2.7171 -2.7171 -2.4744 -2.4744 -2.3842 -2.3842 -2.2143 -2.2143 -0.9978 -0.9978 -0.8817 -0.8817 -0.7640 -0.7640 -0.4680 -0.4680 -0.3565 -0.3565 -0.2195 -0.2195 -0.0772 -0.0772 0.0485 0.0485 0.2557 0.2557 0.3863 0.3863 0.5052 0.5052 0.7847 0.7847 5.3051 5.3051 5.5136 5.5136 5.8620 5.8620 6.0188 6.0188 7.2417 7.2417 k = 0.3065 0.1754 0.1824 ( 10894 PWs) bands (ev): -13.6772 -13.6772 -13.4464 -13.4464 -12.8360 -12.8360 -12.8092 -12.8092 -12.7957 -12.7957 -12.7371 -12.7371 -6.5927 -6.5927 -5.0575 -5.0575 -2.9848 -2.9848 -2.7297 -2.7297 -2.4781 -2.4781 -2.3985 -2.3985 -2.2260 -2.2260 -0.9780 -0.9780 -0.8719 -0.8719 -0.7478 -0.7478 -0.4388 -0.4388 -0.3416 -0.3416 -0.2162 -0.2162 -0.0765 -0.0765 0.0580 0.0580 0.2334 0.2334 0.3888 0.3888 0.4919 0.4919 0.7634 0.7634 5.3262 5.3262 5.5126 5.5126 5.8561 5.8561 6.0285 6.0285 7.2462 7.2462 k = 0.2903 0.1662 0.1728 ( 10884 PWs) bands (ev): -13.6858 -13.6858 -13.4471 -13.4471 -12.8312 -12.8312 -12.8063 -12.8063 -12.7906 -12.7906 -12.7366 -12.7366 -6.5985 -6.5985 -5.0613 -5.0613 -2.9841 -2.9841 -2.7419 -2.7419 -2.4829 -2.4829 -2.4135 -2.4135 -2.2380 -2.2380 -0.9565 -0.9565 -0.8612 -0.8612 -0.7299 -0.7299 -0.4158 -0.4158 -0.3230 -0.3230 -0.2117 -0.2117 -0.0764 -0.0764 0.0684 0.0684 0.2107 0.2107 0.3911 0.3911 0.4802 0.4802 0.7408 0.7408 5.3468 5.3468 5.5108 5.5108 5.8499 5.8499 6.0360 6.0360 7.2519 7.2519 k = 0.2742 0.1569 0.1632 ( 10875 PWs) bands (ev): -13.6944 -13.6944 -13.4479 -13.4479 -12.8264 -12.8264 -12.8033 -12.8033 -12.7854 -12.7854 -12.7360 -12.7360 -6.6045 -6.6045 -5.0652 -5.0652 -2.9831 -2.9831 -2.7536 -2.7536 -2.4888 -2.4888 -2.4290 -2.4290 -2.2502 -2.2502 -0.9342 -0.9342 -0.8489 -0.8489 -0.7106 -0.7106 -0.3989 -0.3989 -0.3036 -0.3036 -0.2039 -0.2039 -0.0771 -0.0771 0.0796 0.0796 0.1879 0.1879 0.3928 0.3928 0.4707 0.4707 0.7170 0.7170 5.3663 5.3663 5.5084 5.5084 5.8435 5.8435 6.0409 6.0409 7.2589 7.2589 k = 0.2581 0.1477 0.1536 ( 10874 PWs) bands (ev): -13.7028 -13.7028 -13.4488 -13.4488 -12.8218 -12.8218 -12.8001 -12.8001 -12.7801 -12.7801 -12.7355 -12.7355 -6.6105 -6.6105 -5.0691 -5.0691 -2.9818 -2.9818 -2.7646 -2.7646 -2.4959 -2.4959 -2.4446 -2.4446 -2.2624 -2.2624 -0.9119 -0.9119 -0.8344 -0.8344 -0.6900 -0.6900 -0.3865 -0.3865 -0.2886 -0.2886 -0.1910 -0.1910 -0.0778 -0.0778 0.0912 0.0912 0.1662 0.1662 0.3935 0.3935 0.4640 0.4640 0.6923 0.6923 5.3841 5.3841 5.5057 5.5057 5.8370 5.8370 6.0429 6.0429 7.2669 7.2669 k = 0.2419 0.1385 0.1440 ( 10876 PWs) bands (ev): -13.7111 -13.7111 -13.4499 -13.4499 -12.8173 -12.8173 -12.7968 -12.7968 -12.7748 -12.7748 -12.7350 -12.7350 -6.6165 -6.6165 -5.0730 -5.0730 -2.9802 -2.9802 -2.7748 -2.7748 -2.5044 -2.5044 -2.4600 -2.4600 -2.2745 -2.2745 -0.8906 -0.8906 -0.8170 -0.8170 -0.6684 -0.6684 -0.3769 -0.3769 -0.2811 -0.2811 -0.1742 -0.1742 -0.0768 -0.0768 0.1014 0.1014 0.1477 0.1477 0.3931 0.3931 0.4603 0.4603 0.6669 0.6669 5.3995 5.3995 5.5035 5.5035 5.8305 5.8305 6.0415 6.0415 7.2754 7.2754 k = 0.2258 0.1292 0.1344 ( 10874 PWs) bands (ev): -13.7191 -13.7191 -13.4511 -13.4511 -12.8130 -12.8130 -12.7935 -12.7935 -12.7696 -12.7696 -12.7345 -12.7345 -6.6223 -6.6223 -5.0768 -5.0768 -2.9784 -2.9784 -2.7842 -2.7842 -2.5145 -2.5145 -2.4748 -2.4748 -2.2863 -2.2863 -0.8711 -0.8711 -0.7961 -0.7961 -0.6458 -0.6458 -0.3691 -0.3691 -0.2803 -0.2803 -0.1590 -0.1590 -0.0708 -0.0708 0.1028 0.1028 0.1399 0.1399 0.3919 0.3919 0.4594 0.4594 0.6411 0.6411 5.4111 5.4111 5.5028 5.5028 5.8241 5.8241 6.0366 6.0366 7.2843 7.2843 k = 0.2097 0.1200 0.1248 ( 10873 PWs) bands (ev): -13.7268 -13.7268 -13.4523 -13.4523 -12.8088 -12.8088 -12.7902 -12.7902 -12.7645 -12.7645 -12.7340 -12.7340 -6.6281 -6.6281 -5.0806 -5.0806 -2.9765 -2.9765 -2.7924 -2.7924 -2.5263 -2.5263 -2.4886 -2.4886 -2.2976 -2.2976 -0.8535 -0.8535 -0.7721 -0.7721 -0.6225 -0.6225 -0.3629 -0.3629 -0.2843 -0.2843 -0.1514 -0.1514 -0.0570 -0.0570 0.0911 0.0911 0.1476 0.1476 0.3904 0.3904 0.4606 0.4606 0.6152 0.6152 5.4180 5.4180 5.5048 5.5048 5.8180 5.8180 6.0282 6.0282 7.2935 7.2935 k = 0.1935 0.1108 0.1152 ( 10875 PWs) bands (ev): -13.7341 -13.7341 -13.4535 -13.4535 -12.8049 -12.8049 -12.7868 -12.7868 -12.7596 -12.7596 -12.7336 -12.7336 -6.6336 -6.6336 -5.0842 -5.0842 -2.9745 -2.9745 -2.7996 -2.7996 -2.5396 -2.5396 -2.5013 -2.5013 -2.3082 -2.3082 -0.8373 -0.8373 -0.7460 -0.7460 -0.5986 -0.5986 -0.3583 -0.3583 -0.2912 -0.2912 -0.1515 -0.1515 -0.0377 -0.0377 0.0762 0.0762 0.1611 0.1611 0.3893 0.3893 0.4631 0.4631 0.5898 0.5898 5.4199 5.4199 5.5098 5.5098 5.8124 5.8124 6.0163 6.0163 7.3028 7.3028 k = 0.1774 0.1015 0.1056 ( 10866 PWs) bands (ev): -13.7410 -13.7410 -13.4548 -13.4548 -12.8012 -12.8012 -12.7836 -12.7836 -12.7549 -12.7549 -12.7331 -12.7331 -6.6389 -6.6389 -5.0876 -5.0876 -2.9725 -2.9725 -2.8055 -2.8055 -2.5541 -2.5541 -2.5130 -2.5130 -2.3180 -2.3180 -0.8218 -0.8218 -0.7189 -0.7189 -0.5744 -0.5744 -0.3563 -0.3563 -0.2992 -0.2992 -0.1558 -0.1558 -0.0190 -0.0190 0.0638 0.0638 0.1762 0.1762 0.3890 0.3890 0.4657 0.4657 0.5659 0.5659 5.4175 5.4175 5.5171 5.5171 5.8073 5.8073 6.0012 6.0012 7.3125 7.3125 k = 0.1613 0.0923 0.0960 ( 10862 PWs) bands (ev): -13.7475 -13.7475 -13.4560 -13.4560 -12.7978 -12.7978 -12.7804 -12.7804 -12.7506 -12.7506 -12.7326 -12.7326 -6.6439 -6.6439 -5.0909 -5.0909 -2.9707 -2.9707 -2.8101 -2.8101 -2.5690 -2.5690 -2.5239 -2.5239 -2.3269 -2.3269 -0.8064 -0.8064 -0.6916 -0.6916 -0.5505 -0.5505 -0.3589 -0.3589 -0.3054 -0.3054 -0.1616 -0.1616 -0.0076 -0.0076 0.0585 0.0585 0.1915 0.1915 0.3898 0.3898 0.4670 0.4670 0.5450 0.5450 5.4125 5.4125 5.5255 5.5255 5.8028 5.8028 5.9835 5.9835 7.3226 7.3226 k = 0.1452 0.0831 0.0864 ( 10858 PWs) bands (ev): -13.7535 -13.7535 -13.4572 -13.4572 -12.7947 -12.7947 -12.7774 -12.7774 -12.7467 -12.7467 -12.7321 -12.7321 -6.6485 -6.6485 -5.0939 -5.0939 -2.9690 -2.9690 -2.8135 -2.8135 -2.5840 -2.5840 -2.5342 -2.5342 -2.3349 -2.3349 -0.7907 -0.7907 -0.6650 -0.6650 -0.5277 -0.5277 -0.3678 -0.3678 -0.3070 -0.3070 -0.1674 -0.1674 -0.0081 -0.0081 0.0631 0.0631 0.2061 0.2061 0.3919 0.3919 0.4645 0.4645 0.5297 0.5297 5.4061 5.4061 5.5338 5.5338 5.7991 5.7991 5.9638 5.9638 7.3332 7.3332 k = 0.1290 0.0739 0.0768 ( 10862 PWs) bands (ev): -13.7589 -13.7589 -13.4583 -13.4583 -12.7918 -12.7918 -12.7746 -12.7746 -12.7433 -12.7433 -12.7315 -12.7315 -6.6527 -6.6527 -5.0966 -5.0966 -2.9675 -2.9675 -2.8157 -2.8157 -2.5987 -2.5987 -2.5440 -2.5440 -2.3420 -2.3420 -0.7745 -0.7745 -0.6396 -0.6396 -0.5076 -0.5076 -0.3817 -0.3817 -0.3035 -0.3035 -0.1724 -0.1724 -0.0168 -0.0168 0.0729 0.0729 0.2193 0.2193 0.3953 0.3953 0.4562 0.4562 0.5224 0.5224 5.3991 5.3991 5.5414 5.5414 5.7960 5.7960 5.9428 5.9428 7.3442 7.3442 k = 0.1129 0.0646 0.0672 ( 10861 PWs) bands (ev): -13.7638 -13.7638 -13.4593 -13.4593 -12.7892 -12.7892 -12.7720 -12.7720 -12.7405 -12.7405 -12.7306 -12.7306 -6.6566 -6.6566 -5.0991 -5.0991 -2.9662 -2.9662 -2.8168 -2.8168 -2.6126 -2.6126 -2.5531 -2.5531 -2.3482 -2.3482 -0.7576 -0.7576 -0.6158 -0.6158 -0.4925 -0.4925 -0.3972 -0.3972 -0.2957 -0.2957 -0.1763 -0.1763 -0.0287 -0.0287 0.0825 0.0825 0.2304 0.2304 0.3994 0.3994 0.4443 0.4443 0.5218 0.5218 5.3922 5.3922 5.5482 5.5482 5.7935 5.7935 5.9217 5.9217 7.3555 7.3555 k = 0.0968 0.0554 0.0576 ( 10871 PWs) bands (ev): -13.7680 -13.7680 -13.4602 -13.4602 -12.7868 -12.7868 -12.7697 -12.7697 -12.7385 -12.7385 -12.7295 -12.7295 -6.6600 -6.6600 -5.1013 -5.1013 -2.9652 -2.9652 -2.8169 -2.8169 -2.6255 -2.6255 -2.5615 -2.5615 -2.3534 -2.3534 -0.7399 -0.7399 -0.5940 -0.5940 -0.4857 -0.4857 -0.4107 -0.4107 -0.2840 -0.2840 -0.1787 -0.1787 -0.0418 -0.0418 0.0896 0.0896 0.2390 0.2390 0.4028 0.4028 0.4334 0.4334 0.5246 0.5246 5.3858 5.3858 5.5540 5.5540 5.7910 5.7910 5.9014 5.9014 7.3670 7.3670 k = 0.0806 0.0462 0.0480 ( 10863 PWs) bands (ev): -13.7717 -13.7717 -13.4610 -13.4610 -12.7848 -12.7848 -12.7677 -12.7677 -12.7371 -12.7371 -12.7282 -12.7282 -6.6629 -6.6629 -5.1031 -5.1031 -2.9644 -2.9644 -2.8164 -2.8164 -2.6371 -2.6371 -2.5689 -2.5689 -2.3578 -2.3578 -0.7213 -0.7213 -0.5752 -0.5752 -0.4891 -0.4891 -0.4191 -0.4191 -0.2690 -0.2690 -0.1797 -0.1797 -0.0553 -0.0553 0.0934 0.0934 0.2449 0.2449 0.4021 0.4021 0.4287 0.4287 0.5288 0.5288 5.3802 5.3802 5.5588 5.5588 5.7881 5.7881 5.8833 5.8833 7.3786 7.3786 k = 0.0645 0.0369 0.0384 ( 10875 PWs) bands (ev): -13.7747 -13.7747 -13.4617 -13.4617 -12.7832 -12.7832 -12.7660 -12.7660 -12.7363 -12.7363 -12.7268 -12.7268 -6.6653 -6.6653 -5.1047 -5.1047 -2.9638 -2.9638 -2.8153 -2.8153 -2.6471 -2.6471 -2.5753 -2.5753 -2.3613 -2.3613 -0.7019 -0.7019 -0.5616 -0.5616 -0.4985 -0.4985 -0.4239 -0.4239 -0.2515 -0.2515 -0.1792 -0.1792 -0.0688 -0.0688 0.0943 0.0943 0.2484 0.2484 0.3971 0.3971 0.4311 0.4311 0.5331 0.5331 5.3754 5.3754 5.5628 5.5628 5.7845 5.7845 5.8684 5.8684 7.3900 7.3900 k = 0.0484 0.0277 0.0288 ( 10875 PWs) bands (ev): -13.7771 -13.7771 -13.4623 -13.4623 -12.7819 -12.7819 -12.7647 -12.7647 -12.7358 -12.7358 -12.7256 -12.7256 -6.6672 -6.6672 -5.1059 -5.1059 -2.9633 -2.9633 -2.8141 -2.8141 -2.6552 -2.6552 -2.5804 -2.5804 -2.3640 -2.3640 -0.6817 -0.6817 -0.5590 -0.5590 -0.5039 -0.5039 -0.4281 -0.4281 -0.2338 -0.2338 -0.1768 -0.1768 -0.0824 -0.0824 0.0930 0.0930 0.2501 0.2501 0.3916 0.3916 0.4359 0.4359 0.5368 0.5368 5.3717 5.3717 5.5661 5.5661 5.7801 5.7801 5.8575 5.8575 7.4011 7.4011 k = 0.0323 0.0185 0.0192 ( 10876 PWs) bands (ev): -13.7788 -13.7788 -13.4627 -13.4627 -12.7809 -12.7809 -12.7637 -12.7637 -12.7356 -12.7356 -12.7246 -12.7246 -6.6685 -6.6685 -5.1068 -5.1068 -2.9630 -2.9630 -2.8130 -2.8130 -2.6613 -2.6613 -2.5842 -2.5842 -2.3660 -2.3660 -0.6612 -0.6612 -0.5702 -0.5702 -0.4998 -0.4998 -0.4330 -0.4330 -0.2188 -0.2188 -0.1719 -0.1719 -0.0957 -0.0957 0.0906 0.0906 0.2508 0.2508 0.3876 0.3876 0.4404 0.4404 0.5398 0.5398 5.3691 5.3691 5.5685 5.5685 5.7755 5.7755 5.8504 5.8504 7.4120 7.4120 k = 0.0161 0.0092 0.0096 ( 10885 PWs) bands (ev): -13.7798 -13.7798 -13.4629 -13.4629 -12.7803 -12.7803 -12.7632 -12.7632 -12.7355 -12.7355 -12.7240 -12.7240 -6.6694 -6.6694 -5.1073 -5.1073 -2.9629 -2.9629 -2.8122 -2.8122 -2.6651 -2.6651 -2.5864 -2.5864 -2.3671 -2.3671 -0.6415 -0.6415 -0.5873 -0.5873 -0.4930 -0.4930 -0.4377 -0.4377 -0.2094 -0.2094 -0.1649 -0.1649 -0.1071 -0.1071 0.0884 0.0884 0.2509 0.2509 0.3853 0.3853 0.4434 0.4434 0.5416 0.5416 5.3675 5.3675 5.5700 5.5700 5.7720 5.7720 5.8467 5.8467 7.4226 7.4226 k = 0.0000 0.0000 0.0000 ( 10883 PWs) bands (ev): -13.7801 -13.7801 -13.4630 -13.4630 -12.7802 -12.7802 -12.7630 -12.7630 -12.7354 -12.7354 -12.7238 -12.7238 -6.6696 -6.6696 -5.1075 -5.1075 -2.9628 -2.9628 -2.8119 -2.8119 -2.6663 -2.6663 -2.5872 -2.5872 -2.3675 -2.3675 -0.6300 -0.6300 -0.5983 -0.5983 -0.4899 -0.4899 -0.4398 -0.4398 -0.2064 -0.2064 -0.1610 -0.1610 -0.1123 -0.1123 0.0876 0.0876 0.2509 0.2509 0.3846 0.3846 0.4445 0.4445 0.5422 0.5422 5.3669 5.3669 5.5705 5.5705 5.7707 5.7707 5.8455 5.8455 7.4325 7.4326 Writing output data file SiBr3.save init_run : 0.39s CPU 0.52s WALL ( 1 calls) electrons : 318.57s CPU 321.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 318.56s CPU 321.80s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.07s WALL ( 265 calls) cegterg : 295.52s CPU 298.08s WALL ( 388 calls) Called by sum_band: Called by *egterg: h_psi : 173.73s CPU 176.32s WALL ( 6047 calls) s_psi : 4.63s CPU 4.58s WALL ( 6047 calls) g_psi : 0.25s CPU 0.27s WALL ( 5394 calls) cdiaghg : 106.27s CPU 106.53s WALL ( 5659 calls) cegterg:over : 12.83s CPU 12.90s WALL ( 5394 calls) cegterg:upda : 8.21s CPU 8.34s WALL ( 5394 calls) cegterg:last : 4.83s CPU 4.72s WALL ( 918 calls) cdiaghg:chol : 4.00s CPU 4.08s WALL ( 5659 calls) cdiaghg:inve : 2.67s CPU 2.61s WALL ( 5659 calls) cdiaghg:para : 6.64s CPU 6.92s WALL ( 11318 calls) Called by h_psi: h_psi:vloc : 161.09s CPU 163.54s WALL ( 6047 calls) h_psi:vnl : 12.40s CPU 12.48s WALL ( 6047 calls) add_vuspsi : 5.46s CPU 5.55s WALL ( 6047 calls) General routines calbec : 6.93s CPU 6.91s WALL ( 6047 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 157.47s CPU 159.59s WALL ( 697316 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.25s WALL ( 530 calls) Parallel routines fft_scatter : 115.51s CPU 117.46s WALL ( 697339 calls) PWSCF : 6m10.45s CPU 6m35.51s WALL This run was terminated on: 4:30:43 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=