Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:51:28 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./InSe.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 30 9 1055 683 110 Max 42 31 10 1059 700 113 Sum 1489 1115 329 38033 24959 4007 bravais-lattice index = 14 lattice parameter (alat) = 11.7491 a.u. unit-cell volume = 703.6749 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.749068 celldm(2)= 1.000000 celldm(3)= 0.741475 celldm(4)= 0.327445 celldm(5)= 0.327445 celldm(6)= 0.781504 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.781504 0.623901 0.000000 ) a(3) = ( 0.242792 0.085028 0.695418 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.252609 -0.195976 ) b(2) = ( 0.000000 1.602819 -0.195976 ) b(3) = ( 0.000000 0.000000 1.437983 ) PseudoPot. # 1 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Se 6.00 78.96000 Se( 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= 346 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0172414 0.0060381 -0.0067578), wk = 0.0028902 k( 3) = ( 0.0344828 0.0120762 -0.0135156), wk = 0.0028902 k( 4) = ( 0.0517241 0.0181143 -0.0202733), wk = 0.0028902 k( 5) = ( 0.0689655 0.0241524 -0.0270311), wk = 0.0028902 k( 6) = ( 0.0862069 0.0301905 -0.0337889), wk = 0.0028902 k( 7) = ( 0.1034483 0.0362287 -0.0405467), wk = 0.0028902 k( 8) = ( 0.1206897 0.0422668 -0.0473045), wk = 0.0028902 k( 9) = ( 0.1379310 0.0483049 -0.0540622), wk = 0.0028902 k( 10) = ( 0.1551724 0.0543430 -0.0608200), wk = 0.0028902 k( 11) = ( 0.1724138 0.0603811 -0.0675778), wk = 0.0028902 k( 12) = ( 0.1896552 0.0664192 -0.0743356), wk = 0.0028902 k( 13) = ( 0.2068966 0.0724573 -0.0810934), wk = 0.0028902 k( 14) = ( 0.2241379 0.0784954 -0.0878511), wk = 0.0028902 k( 15) = ( 0.2413793 0.0845335 -0.0946089), wk = 0.0028902 k( 16) = ( 0.2586207 0.0905716 -0.1013667), wk = 0.0028902 k( 17) = ( 0.2758621 0.0966097 -0.1081245), wk = 0.0028902 k( 18) = ( 0.2931034 0.1026478 -0.1148823), wk = 0.0028902 k( 19) = ( 0.3103448 0.1086859 -0.1216400), wk = 0.0028902 k( 20) = ( 0.3275862 0.1147241 -0.1283978), wk = 0.0028902 k( 21) = ( 0.3448276 0.1207622 -0.1351556), wk = 0.0028902 k( 22) = ( 0.3620690 0.1268003 -0.1419134), wk = 0.0028902 k( 23) = ( 0.3793103 0.1328384 -0.1486712), wk = 0.0028902 k( 24) = ( 0.3965517 0.1388765 -0.1554289), wk = 0.0028902 k( 25) = ( 0.4137931 0.1449146 -0.1621867), wk = 0.0028902 k( 26) = ( 0.4310345 0.1509527 -0.1689445), wk = 0.0028902 k( 27) = ( 0.4482759 0.1569908 -0.1757023), wk = 0.0028902 k( 28) = ( 0.4655172 0.1630289 -0.1824601), wk = 0.0028902 k( 29) = ( 0.4827586 0.1690670 -0.1892178), wk = 0.0028902 k( 30) = ( 0.5000000 0.1751051 -0.1959756), wk = 0.0028902 k( 31) = ( 0.5000000 0.1751051 -0.1959756), wk = 0.0028902 k( 32) = ( 0.5062966 0.1773103 -0.1779406), wk = 0.0028902 k( 33) = ( 0.5125932 0.1795154 -0.1599055), wk = 0.0028902 k( 34) = ( 0.5188898 0.1817205 -0.1418705), wk = 0.0028902 k( 35) = ( 0.5251864 0.1839257 -0.1238355), wk = 0.0028902 k( 36) = ( 0.5314830 0.1861308 -0.1058004), wk = 0.0028902 k( 37) = ( 0.5377796 0.1883359 -0.0877654), wk = 0.0028902 k( 38) = ( 0.5440762 0.1905411 -0.0697304), wk = 0.0028902 k( 39) = ( 0.5503727 0.1927462 -0.0516953), wk = 0.0028902 k( 40) = ( 0.5566693 0.1949513 -0.0336603), wk = 0.0028902 k( 41) = ( 0.5629659 0.1971565 -0.0156253), wk = 0.0028902 k( 42) = ( 0.5692625 0.1993616 0.0024098), wk = 0.0028902 k( 43) = ( 0.5755591 0.2015667 0.0204448), wk = 0.0028902 k( 44) = ( 0.5818557 0.2037719 0.0384798), wk = 0.0028902 k( 45) = ( 0.5881523 0.2059770 0.0565149), wk = 0.0028902 k( 46) = ( 0.5944489 0.2081821 0.0745499), wk = 0.0028902 k( 47) = ( 0.6007455 0.2103873 0.0925849), wk = 0.0028902 k( 48) = ( 0.6070421 0.2125924 0.1106200), wk = 0.0028902 k( 49) = ( 0.6133387 0.2147975 0.1286550), wk = 0.0028902 k( 50) = ( 0.6196353 0.2170026 0.1466900), wk = 0.0028902 k( 51) = ( 0.6259319 0.2192078 0.1647251), wk = 0.0028902 k( 52) = ( 0.6322285 0.2214129 0.1827601), wk = 0.0028902 k( 53) = ( 0.6385251 0.2236180 0.2007951), wk = 0.0028902 k( 54) = ( 0.6448217 0.2258232 0.2188302), wk = 0.0028902 k( 55) = ( 0.6511183 0.2280283 0.2368652), wk = 0.0028902 k( 56) = ( 0.6574148 0.2302334 0.2549002), wk = 0.0028902 k( 57) = ( 0.6637114 0.2324386 0.2729353), wk = 0.0028902 k( 58) = ( 0.6700080 0.2346437 0.2909703), wk = 0.0028902 k( 59) = ( 0.6763046 0.2368488 0.3090053), wk = 0.0028902 k( 60) = ( 0.6826012 0.2390540 0.3270404), wk = 0.0028902 k( 61) = ( 0.6826012 0.2390540 0.3270404), wk = 0.0028902 k( 62) = ( 0.6695583 0.2344862 0.3410386), wk = 0.0028902 k( 63) = ( 0.6565153 0.2299184 0.3550369), wk = 0.0028902 k( 64) = ( 0.6434724 0.2253506 0.3690351), wk = 0.0028902 k( 65) = ( 0.6304294 0.2207829 0.3830334), wk = 0.0028902 k( 66) = ( 0.6173865 0.2162151 0.3970317), wk = 0.0028902 k( 67) = ( 0.6043435 0.2116473 0.4110299), wk = 0.0028902 k( 68) = ( 0.5913006 0.2070796 0.4250282), wk = 0.0028902 k( 69) = ( 0.5782577 0.2025118 0.4390264), wk = 0.0028902 k( 70) = ( 0.5652147 0.1979440 0.4530247), wk = 0.0028902 k( 71) = ( 0.5521718 0.1933762 0.4670229), wk = 0.0028902 k( 72) = ( 0.5391288 0.1888085 0.4810212), wk = 0.0028902 k( 73) = ( 0.5260859 0.1842407 0.4950195), wk = 0.0028902 k( 74) = ( 0.5130429 0.1796729 0.5090177), wk = 0.0028902 k( 75) = ( 0.5000000 0.1751051 0.5230160), wk = 0.0028902 k( 76) = ( 0.5000000 0.1751051 0.5230160), wk = 0.0028902 k( 77) = ( 0.5064718 0.1566253 0.5230160), wk = 0.0028902 k( 78) = ( 0.5129437 0.1381455 0.5230160), wk = 0.0028902 k( 79) = ( 0.5194155 0.1196656 0.5230160), wk = 0.0028902 k( 80) = ( 0.5258873 0.1011858 0.5230160), wk = 0.0028902 k( 81) = ( 0.5323592 0.0827059 0.5230160), wk = 0.0028902 k( 82) = ( 0.5388310 0.0642261 0.5230160), wk = 0.0028902 k( 83) = ( 0.5453028 0.0457463 0.5230160), wk = 0.0028902 k( 84) = ( 0.5517746 0.0272664 0.5230160), wk = 0.0028902 k( 85) = ( 0.5582465 0.0087866 0.5230160), wk = 0.0028902 k( 86) = ( 0.5647183 -0.0096933 0.5230160), wk = 0.0028902 k( 87) = ( 0.5711901 -0.0281731 0.5230160), wk = 0.0028902 k( 88) = ( 0.5776620 -0.0466530 0.5230160), wk = 0.0028902 k( 89) = ( 0.5841338 -0.0651328 0.5230160), wk = 0.0028902 k( 90) = ( 0.5906056 -0.0836127 0.5230160), wk = 0.0028902 k( 91) = ( 0.5970775 -0.1020925 0.5230160), wk = 0.0028902 k( 92) = ( 0.6035493 -0.1205723 0.5230160), wk = 0.0028902 k( 93) = ( 0.6100211 -0.1390522 0.5230160), wk = 0.0028902 k( 94) = ( 0.6164930 -0.1575320 0.5230160), wk = 0.0028902 k( 95) = ( 0.6229648 -0.1760119 0.5230160), wk = 0.0028902 k( 96) = ( 0.6294366 -0.1944917 0.5230160), wk = 0.0028902 k( 97) = ( 0.6359084 -0.2129715 0.5230160), wk = 0.0028902 k( 98) = ( 0.6423803 -0.2314514 0.5230160), wk = 0.0028902 k( 99) = ( 0.6488521 -0.2499312 0.5230160), wk = 0.0028902 k( 100) = ( 0.6553239 -0.2684111 0.5230160), wk = 0.0028902 k( 101) = ( 0.6617958 -0.2868909 0.5230160), wk = 0.0028902 k( 102) = ( 0.6682676 -0.3053707 0.5230160), wk = 0.0028902 k( 103) = ( 0.6747394 -0.3238506 0.5230160), wk = 0.0028902 k( 104) = ( 0.6812113 -0.3423304 0.5230160), wk = 0.0028902 k( 105) = ( 0.6876831 -0.3608103 0.5230160), wk = 0.0028902 k( 106) = ( 0.6941549 -0.3792901 0.5230160), wk = 0.0028902 k( 107) = ( 0.7006267 -0.3977700 0.5230160), wk = 0.0028902 k( 108) = ( 0.7070986 -0.4162498 0.5230160), wk = 0.0028902 k( 109) = ( 0.7135704 -0.4347296 0.5230160), wk = 0.0028902 k( 110) = ( 0.7200422 -0.4532095 0.5230160), wk = 0.0028902 k( 111) = ( 0.7265141 -0.4716893 0.5230160), wk = 0.0028902 k( 112) = ( 0.7329859 -0.4901692 0.5230160), wk = 0.0028902 k( 113) = ( 0.7394577 -0.5086490 0.5230160), wk = 0.0028902 k( 114) = ( 0.7459296 -0.5271288 0.5230160), wk = 0.0028902 k( 115) = ( 0.2540704 -0.7254797 0.7189916), wk = 0.0028902 k( 116) = ( 0.2475558 -0.7068776 0.7189916), wk = 0.0028902 k( 117) = ( 0.2410412 -0.6882756 0.7189916), wk = 0.0028902 k( 118) = ( 0.2345266 -0.6696735 0.7189916), wk = 0.0028902 k( 119) = ( 0.2280119 -0.6510715 0.7189916), wk = 0.0028902 k( 120) = ( 0.2214973 -0.6324695 0.7189916), wk = 0.0028902 k( 121) = ( 0.2149827 -0.6138674 0.7189916), wk = 0.0028902 k( 122) = ( 0.2084680 -0.5952654 0.7189916), wk = 0.0028902 k( 123) = ( 0.2019534 -0.5766633 0.7189916), wk = 0.0028902 k( 124) = ( 0.1954388 -0.5580613 0.7189916), wk = 0.0028902 k( 125) = ( 0.1889242 -0.5394592 0.7189916), wk = 0.0028902 k( 126) = ( 0.1824096 -0.5208572 0.7189916), wk = 0.0028902 k( 127) = ( 0.1758949 -0.5022552 0.7189916), wk = 0.0028902 k( 128) = ( 0.1693803 -0.4836531 0.7189916), wk = 0.0028902 k( 129) = ( 0.1628657 -0.4650511 0.7189916), wk = 0.0028902 k( 130) = ( 0.1563510 -0.4464490 0.7189916), wk = 0.0028902 k( 131) = ( 0.1498364 -0.4278470 0.7189916), wk = 0.0028902 k( 132) = ( 0.1433218 -0.4092450 0.7189916), wk = 0.0028902 k( 133) = ( 0.1368072 -0.3906429 0.7189916), wk = 0.0028902 k( 134) = ( 0.1302925 -0.3720408 0.7189916), wk = 0.0028902 k( 135) = ( 0.1237779 -0.3534388 0.7189916), wk = 0.0028902 k( 136) = ( 0.1172633 -0.3348368 0.7189916), wk = 0.0028902 k( 137) = ( 0.1107487 -0.3162347 0.7189916), wk = 0.0028902 k( 138) = ( 0.1042340 -0.2976327 0.7189916), wk = 0.0028902 k( 139) = ( 0.0977194 -0.2790306 0.7189916), wk = 0.0028902 k( 140) = ( 0.0912048 -0.2604286 0.7189916), wk = 0.0028902 k( 141) = ( 0.0846902 -0.2418266 0.7189916), wk = 0.0028902 k( 142) = ( 0.0781755 -0.2232245 0.7189916), wk = 0.0028902 k( 143) = ( 0.0716609 -0.2046225 0.7189916), wk = 0.0028902 k( 144) = ( 0.0651463 -0.1860204 0.7189916), wk = 0.0028902 k( 145) = ( 0.0586316 -0.1674184 0.7189916), wk = 0.0028902 k( 146) = ( 0.0521170 -0.1488163 0.7189916), wk = 0.0028902 k( 147) = ( 0.0456024 -0.1302143 0.7189916), wk = 0.0028902 k( 148) = ( 0.0390878 -0.1116123 0.7189916), wk = 0.0028902 k( 149) = ( 0.0325731 -0.0930102 0.7189916), wk = 0.0028902 k( 150) = ( 0.0260585 -0.0744082 0.7189916), wk = 0.0028902 k( 151) = ( 0.0195439 -0.0558061 0.7189916), wk = 0.0028902 k( 152) = ( 0.0130292 -0.0372041 0.7189916), wk = 0.0028902 k( 153) = ( 0.0065146 -0.0186021 0.7189916), wk = 0.0028902 k( 154) = ( 0.0000000 0.0000000 0.7189916), wk = 0.0028902 k( 155) = ( 0.0000000 0.0000000 0.7189916), wk = 0.0028902 k( 156) = ( 0.0186705 0.0065386 0.7189916), wk = 0.0028902 k( 157) = ( 0.0373410 0.0130772 0.7189916), wk = 0.0028902 k( 158) = ( 0.0560116 0.0196158 0.7189916), wk = 0.0028902 k( 159) = ( 0.0746821 0.0261544 0.7189916), wk = 0.0028902 k( 160) = ( 0.0933526 0.0326930 0.7189916), wk = 0.0028902 k( 161) = ( 0.1120231 0.0392316 0.7189916), wk = 0.0028902 k( 162) = ( 0.1306936 0.0457702 0.7189916), wk = 0.0028902 k( 163) = ( 0.1493641 0.0523089 0.7189916), wk = 0.0028902 k( 164) = ( 0.1680347 0.0588475 0.7189916), wk = 0.0028902 k( 165) = ( 0.1867052 0.0653861 0.7189916), wk = 0.0028902 k( 166) = ( 0.2053757 0.0719247 0.7189916), wk = 0.0028902 k( 167) = ( 0.2240462 0.0784633 0.7189916), wk = 0.0028902 k( 168) = ( 0.2427167 0.0850019 0.7189916), wk = 0.0028902 k( 169) = ( 0.2613872 0.0915405 0.7189916), wk = 0.0028902 k( 170) = ( 0.2800577 0.0980791 0.7189916), wk = 0.0028902 k( 171) = ( 0.2987283 0.1046177 0.7189916), wk = 0.0028902 k( 172) = ( 0.3173988 0.1111563 0.7189916), wk = 0.0028902 k( 173) = ( 0.5000000 0.1751051 -0.1959756), wk = 0.0028902 k( 174) = ( 0.5065195 0.1564893 -0.1959756), wk = 0.0028902 k( 175) = ( 0.5130389 0.1378734 -0.1959756), wk = 0.0028902 k( 176) = ( 0.5195584 0.1192576 -0.1959756), wk = 0.0028902 k( 177) = ( 0.5260779 0.1006417 -0.1959756), wk = 0.0028902 k( 178) = ( 0.5325973 0.0820258 -0.1959756), wk = 0.0028902 k( 179) = ( 0.5391168 0.0634100 -0.1959756), wk = 0.0028902 k( 180) = ( 0.5456363 0.0447941 -0.1959756), wk = 0.0028902 k( 181) = ( 0.5521557 0.0261783 -0.1959756), wk = 0.0028902 k( 182) = ( 0.5586752 0.0075624 -0.1959756), wk = 0.0028902 k( 183) = ( 0.5651947 -0.0110534 -0.1959756), wk = 0.0028902 k( 184) = ( 0.5717141 -0.0296693 -0.1959756), wk = 0.0028902 k( 185) = ( 0.5782336 -0.0482852 -0.1959756), wk = 0.0028902 k( 186) = ( 0.5847530 -0.0669010 -0.1959756), wk = 0.0028902 k( 187) = ( 0.5912725 -0.0855169 -0.1959756), wk = 0.0028902 k( 188) = ( 0.5977920 -0.1041328 -0.1959756), wk = 0.0028902 k( 189) = ( 0.6043114 -0.1227486 -0.1959756), wk = 0.0028902 k( 190) = ( 0.6108309 -0.1413645 -0.1959756), wk = 0.0028902 k( 191) = ( 0.6173504 -0.1599803 -0.1959756), wk = 0.0028902 k( 192) = ( 0.6238698 -0.1785962 -0.1959756), wk = 0.0028902 k( 193) = ( 0.6303893 -0.1972121 -0.1959756), wk = 0.0028902 k( 194) = ( 0.6369088 -0.2158279 -0.1959756), wk = 0.0028902 k( 195) = ( 0.6434282 -0.2344438 -0.1959756), wk = 0.0028902 k( 196) = ( 0.6499477 -0.2530596 -0.1959756), wk = 0.0028902 k( 197) = ( 0.6564672 -0.2716755 -0.1959756), wk = 0.0028902 k( 198) = ( 0.6629866 -0.2902913 -0.1959756), wk = 0.0028902 k( 199) = ( 0.6695061 -0.3089072 -0.1959756), wk = 0.0028902 k( 200) = ( 0.6760256 -0.3275231 -0.1959756), wk = 0.0028902 k( 201) = ( 0.6825450 -0.3461389 -0.1959756), wk = 0.0028902 k( 202) = ( 0.6890645 -0.3647548 -0.1959756), wk = 0.0028902 k( 203) = ( 0.6955840 -0.3833706 -0.1959756), wk = 0.0028902 k( 204) = ( 0.7021034 -0.4019865 -0.1959756), wk = 0.0028902 k( 205) = ( 0.7086229 -0.4206024 -0.1959756), wk = 0.0028902 k( 206) = ( 0.7151424 -0.4392182 -0.1959756), wk = 0.0028902 k( 207) = ( 0.2848577 -0.8133903 -0.0000000), wk = 0.0028902 k( 208) = ( 0.2783836 -0.7949042 -0.0000000), wk = 0.0028902 k( 209) = ( 0.2719096 -0.7764180 -0.0000000), wk = 0.0028902 k( 210) = ( 0.2654355 -0.7579319 -0.0000000), wk = 0.0028902 k( 211) = ( 0.2589615 -0.7394457 -0.0000000), wk = 0.0028902 k( 212) = ( 0.2524875 -0.7209596 -0.0000000), wk = 0.0028902 k( 213) = ( 0.2460134 -0.7024734 -0.0000000), wk = 0.0028902 k( 214) = ( 0.2395394 -0.6839873 -0.0000000), wk = 0.0028902 k( 215) = ( 0.2330654 -0.6655012 -0.0000000), wk = 0.0028902 k( 216) = ( 0.2265913 -0.6470150 -0.0000000), wk = 0.0028902 k( 217) = ( 0.2201173 -0.6285289 -0.0000000), wk = 0.0028902 k( 218) = ( 0.2136432 -0.6100427 -0.0000000), wk = 0.0028902 k( 219) = ( 0.2071692 -0.5915566 -0.0000000), wk = 0.0028902 k( 220) = ( 0.2006952 -0.5730704 -0.0000000), wk = 0.0028902 k( 221) = ( 0.1942211 -0.5545843 -0.0000000), wk = 0.0028902 k( 222) = ( 0.1877471 -0.5360982 -0.0000000), wk = 0.0028902 k( 223) = ( 0.1812730 -0.5176120 -0.0000000), wk = 0.0028902 k( 224) = ( 0.1747990 -0.4991259 -0.0000000), wk = 0.0028902 k( 225) = ( 0.1683250 -0.4806397 -0.0000000), wk = 0.0028902 k( 226) = ( 0.1618509 -0.4621536 -0.0000000), wk = 0.0028902 k( 227) = ( 0.1553769 -0.4436674 -0.0000000), wk = 0.0028902 k( 228) = ( 0.1489029 -0.4251813 -0.0000000), wk = 0.0028902 k( 229) = ( 0.1424288 -0.4066951 -0.0000000), wk = 0.0028902 k( 230) = ( 0.1359548 -0.3882090 -0.0000000), wk = 0.0028902 k( 231) = ( 0.1294808 -0.3697229 -0.0000000), wk = 0.0028902 k( 232) = ( 0.1230067 -0.3512367 -0.0000000), wk = 0.0028902 k( 233) = ( 0.1165327 -0.3327506 -0.0000000), wk = 0.0028902 k( 234) = ( 0.1100586 -0.3142644 -0.0000000), wk = 0.0028902 k( 235) = ( 0.1035846 -0.2957783 -0.0000000), wk = 0.0028902 k( 236) = ( 0.0971106 -0.2772921 -0.0000000), wk = 0.0028902 k( 237) = ( 0.0906365 -0.2588060 -0.0000000), wk = 0.0028902 k( 238) = ( 0.0841625 -0.2403199 -0.0000000), wk = 0.0028902 k( 239) = ( 0.0776885 -0.2218337 -0.0000000), wk = 0.0028902 k( 240) = ( 0.0712144 -0.2033476 -0.0000000), wk = 0.0028902 k( 241) = ( 0.0647404 -0.1848614 -0.0000000), wk = 0.0028902 k( 242) = ( 0.0582663 -0.1663753 -0.0000000), wk = 0.0028902 k( 243) = ( 0.0517923 -0.1478891 -0.0000000), wk = 0.0028902 k( 244) = ( 0.0453183 -0.1294030 -0.0000000), wk = 0.0028902 k( 245) = ( 0.0388442 -0.1109168 -0.0000000), wk = 0.0028902 k( 246) = ( 0.0323702 -0.0924307 -0.0000000), wk = 0.0028902 k( 247) = ( 0.0258961 -0.0739446 -0.0000000), wk = 0.0028902 k( 248) = ( 0.0194221 -0.0554584 -0.0000000), wk = 0.0028902 k( 249) = ( 0.0129481 -0.0369723 -0.0000000), wk = 0.0028902 k( 250) = ( 0.0064740 -0.0184862 -0.0000000), wk = 0.0028902 k( 251) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 252) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 253) = ( 0.0121951 -0.0152757 -0.0023899), wk = 0.0028902 k( 254) = ( 0.0243902 -0.0305514 -0.0047799), wk = 0.0028902 k( 255) = ( 0.0365854 -0.0458271 -0.0071698), wk = 0.0028902 k( 256) = ( 0.0487805 -0.0611029 -0.0095598), wk = 0.0028902 k( 257) = ( 0.0609756 -0.0763786 -0.0119497), wk = 0.0028902 k( 258) = ( 0.0731707 -0.0916543 -0.0143397), wk = 0.0028902 k( 259) = ( 0.0853658 -0.1069300 -0.0167296), wk = 0.0028902 k( 260) = ( 0.0975610 -0.1222057 -0.0191196), wk = 0.0028902 k( 261) = ( 0.1097561 -0.1374814 -0.0215095), wk = 0.0028902 k( 262) = ( 0.1219512 -0.1527571 -0.0238995), wk = 0.0028902 k( 263) = ( 0.1341463 -0.1680328 -0.0262894), wk = 0.0028902 k( 264) = ( 0.1463415 -0.1833086 -0.0286794), wk = 0.0028902 k( 265) = ( 0.1585366 -0.1985843 -0.0310693), wk = 0.0028902 k( 266) = ( 0.1707317 -0.2138600 -0.0334593), wk = 0.0028902 k( 267) = ( 0.1829268 -0.2291357 -0.0358492), wk = 0.0028902 k( 268) = ( 0.1951219 -0.2444114 -0.0382391), wk = 0.0028902 k( 269) = ( 0.2073171 -0.2596871 -0.0406291), wk = 0.0028902 k( 270) = ( 0.2195122 -0.2749629 -0.0430190), wk = 0.0028902 k( 271) = ( 0.2317073 -0.2902386 -0.0454090), wk = 0.0028902 k( 272) = ( 0.2439024 -0.3055143 -0.0477989), wk = 0.0028902 k( 273) = ( 0.2560976 -0.3207900 -0.0501889), wk = 0.0028902 k( 274) = ( 0.2682927 -0.3360657 -0.0525788), wk = 0.0028902 k( 275) = ( 0.2804878 -0.3513414 -0.0549688), wk = 0.0028902 k( 276) = ( 0.2926829 -0.3666171 -0.0573587), wk = 0.0028902 k( 277) = ( 0.3048781 -0.3818928 -0.0597487), wk = 0.0028902 k( 278) = ( 0.3170732 -0.3971686 -0.0621386), wk = 0.0028902 k( 279) = ( 0.3292683 -0.4124443 -0.0645286), wk = 0.0028902 k( 280) = ( 0.3414634 -0.4277200 -0.0669185), wk = 0.0028902 k( 281) = ( 0.3536585 -0.4429957 -0.0693084), wk = 0.0028902 k( 282) = ( 0.3658537 -0.4582714 -0.0716984), wk = 0.0028902 k( 283) = ( 0.3780488 -0.4735471 -0.0740883), wk = 0.0028902 k( 284) = ( 0.3902439 -0.4888228 -0.0764783), wk = 0.0028902 k( 285) = ( 0.4024390 -0.5040985 -0.0788682), wk = 0.0028902 k( 286) = ( 0.4146341 -0.5193743 -0.0812582), wk = 0.0028902 k( 287) = ( 0.4268293 -0.5346500 -0.0836481), wk = 0.0028902 k( 288) = ( 0.4390244 -0.5499257 -0.0860381), wk = 0.0028902 k( 289) = ( 0.4512195 -0.5652014 -0.0884280), wk = 0.0028902 k( 290) = ( 0.4634146 -0.5804771 -0.0908180), wk = 0.0028902 k( 291) = ( 0.4756098 -0.5957528 -0.0932079), wk = 0.0028902 k( 292) = ( 0.4878049 -0.6110285 -0.0955979), wk = 0.0028902 k( 293) = ( 0.5000000 -0.6263043 -0.0979878), wk = 0.0028902 k( 294) = ( 0.5000000 -0.6263043 0.6210038), wk = 0.0028902 k( 295) = ( 0.4903846 -0.6142600 0.6090614), wk = 0.0028902 k( 296) = ( 0.4807692 -0.6022156 0.5971190), wk = 0.0028902 k( 297) = ( 0.4711538 -0.5901713 0.5851766), wk = 0.0028902 k( 298) = ( 0.4615385 -0.5781270 0.5732343), wk = 0.0028902 k( 299) = ( 0.4519231 -0.5660827 0.5612919), wk = 0.0028902 k( 300) = ( 0.4423077 -0.5540384 0.5493495), wk = 0.0028902 k( 301) = ( 0.4326923 -0.5419941 0.5374071), wk = 0.0028902 k( 302) = ( 0.4230769 -0.5299498 0.5254647), wk = 0.0028902 k( 303) = ( 0.4134615 -0.5179054 0.5135224), wk = 0.0028902 k( 304) = ( 0.4038462 -0.5058611 0.5015800), wk = 0.0028902 k( 305) = ( 0.3942308 -0.4938168 0.4896376), wk = 0.0028902 k( 306) = ( 0.3846154 -0.4817725 0.4776952), wk = 0.0028902 k( 307) = ( 0.3750000 -0.4697282 0.4657528), wk = 0.0028902 k( 308) = ( 0.3653846 -0.4576839 0.4538105), wk = 0.0028902 k( 309) = ( 0.3557692 -0.4456396 0.4418681), wk = 0.0028902 k( 310) = ( 0.3461538 -0.4335953 0.4299257), wk = 0.0028902 k( 311) = ( 0.3365385 -0.4215509 0.4179833), wk = 0.0028902 k( 312) = ( 0.3269231 -0.4095066 0.4060409), wk = 0.0028902 k( 313) = ( 0.3173077 -0.3974623 0.3940985), wk = 0.0028902 k( 314) = ( 0.3076923 -0.3854180 0.3821562), wk = 0.0028902 k( 315) = ( 0.2980769 -0.3733737 0.3702138), wk = 0.0028902 k( 316) = ( 0.2884615 -0.3613294 0.3582714), wk = 0.0028902 k( 317) = ( 0.2788462 -0.3492851 0.3463290), wk = 0.0028902 k( 318) = ( 0.2692308 -0.3372408 0.3343866), wk = 0.0028902 k( 319) = ( 0.2596154 -0.3251964 0.3224443), wk = 0.0028902 k( 320) = ( 0.2500000 -0.3131521 0.3105019), wk = 0.0028902 k( 321) = ( 0.2403846 -0.3011078 0.2985595), wk = 0.0028902 k( 322) = ( 0.2307692 -0.2890635 0.2866171), wk = 0.0028902 k( 323) = ( 0.2211539 -0.2770192 0.2746748), wk = 0.0028902 k( 324) = ( 0.2115385 -0.2649749 0.2627324), wk = 0.0028902 k( 325) = ( 0.2019231 -0.2529306 0.2507900), wk = 0.0028902 k( 326) = ( 0.1923077 -0.2408863 0.2388476), wk = 0.0028902 k( 327) = ( 0.1826923 -0.2288419 0.2269052), wk = 0.0028902 k( 328) = ( 0.1730769 -0.2167976 0.2149628), wk = 0.0028902 k( 329) = ( 0.1634615 -0.2047533 0.2030205), wk = 0.0028902 k( 330) = ( 0.1538461 -0.1927090 0.1910781), wk = 0.0028902 k( 331) = ( 0.1442308 -0.1806647 0.1791357), wk = 0.0028902 k( 332) = ( 0.1346154 -0.1686204 0.1671933), wk = 0.0028902 k( 333) = ( 0.1250000 -0.1565761 0.1552509), wk = 0.0028902 k( 334) = ( 0.1153846 -0.1445318 0.1433086), wk = 0.0028902 k( 335) = ( 0.1057692 -0.1324874 0.1313662), wk = 0.0028902 k( 336) = ( 0.0961538 -0.1204431 0.1194238), wk = 0.0028902 k( 337) = ( 0.0865385 -0.1083988 0.1074814), wk = 0.0028902 k( 338) = ( 0.0769231 -0.0963545 0.0955390), wk = 0.0028902 k( 339) = ( 0.0673077 -0.0843102 0.0835967), wk = 0.0028902 k( 340) = ( 0.0576923 -0.0722659 0.0716543), wk = 0.0028902 k( 341) = ( 0.0480769 -0.0602216 0.0597119), wk = 0.0028902 k( 342) = ( 0.0384615 -0.0481773 0.0477695), wk = 0.0028902 k( 343) = ( 0.0288462 -0.0361329 0.0358271), wk = 0.0028902 k( 344) = ( 0.0192308 -0.0240886 0.0238848), wk = 0.0028902 k( 345) = ( 0.0096154 -0.0120443 0.0119424), wk = 0.0028902 k( 346) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0028902 k( 3) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0028902 k( 4) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0028902 k( 5) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0028902 k( 6) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0028902 k( 7) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0028902 k( 8) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0028902 k( 9) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0028902 k( 10) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0028902 k( 11) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0028902 k( 12) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0028902 k( 13) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0028902 k( 14) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0028902 k( 15) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0028902 k( 16) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0028902 k( 17) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0028902 k( 18) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0028902 k( 19) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0028902 k( 20) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0028902 k( 21) = ( 0.3448276 0.3448276 0.0000000), wk = 0.0028902 k( 22) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0028902 k( 23) = ( 0.3793103 0.3793103 0.0000000), wk = 0.0028902 k( 24) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0028902 k( 25) = ( 0.4137931 0.4137931 0.0000000), wk = 0.0028902 k( 26) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0028902 k( 27) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0028902 k( 28) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0028902 k( 29) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0028902 k( 30) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028902 k( 31) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028902 k( 32) = ( 0.5062966 0.5062966 0.0142582), wk = 0.0028902 k( 33) = ( 0.5125932 0.5125932 0.0285163), wk = 0.0028902 k( 34) = ( 0.5188898 0.5188898 0.0427745), wk = 0.0028902 k( 35) = ( 0.5251864 0.5251864 0.0570326), wk = 0.0028902 k( 36) = ( 0.5314830 0.5314830 0.0712908), wk = 0.0028902 k( 37) = ( 0.5377796 0.5377796 0.0855489), wk = 0.0028902 k( 38) = ( 0.5440762 0.5440762 0.0998071), wk = 0.0028902 k( 39) = ( 0.5503727 0.5503727 0.1140653), wk = 0.0028902 k( 40) = ( 0.5566693 0.5566693 0.1283234), wk = 0.0028902 k( 41) = ( 0.5629659 0.5629659 0.1425816), wk = 0.0028902 k( 42) = ( 0.5692625 0.5692625 0.1568397), wk = 0.0028902 k( 43) = ( 0.5755591 0.5755591 0.1710979), wk = 0.0028902 k( 44) = ( 0.5818557 0.5818557 0.1853560), wk = 0.0028902 k( 45) = ( 0.5881523 0.5881523 0.1996142), wk = 0.0028902 k( 46) = ( 0.5944489 0.5944489 0.2138724), wk = 0.0028902 k( 47) = ( 0.6007455 0.6007455 0.2281305), wk = 0.0028902 k( 48) = ( 0.6070421 0.6070421 0.2423887), wk = 0.0028902 k( 49) = ( 0.6133387 0.6133387 0.2566468), wk = 0.0028902 k( 50) = ( 0.6196353 0.6196353 0.2709050), wk = 0.0028902 k( 51) = ( 0.6259319 0.6259319 0.2851632), wk = 0.0028902 k( 52) = ( 0.6322285 0.6322285 0.2994213), wk = 0.0028902 k( 53) = ( 0.6385251 0.6385251 0.3136795), wk = 0.0028902 k( 54) = ( 0.6448217 0.6448217 0.3279376), wk = 0.0028902 k( 55) = ( 0.6511183 0.6511183 0.3421958), wk = 0.0028902 k( 56) = ( 0.6574148 0.6574148 0.3564540), wk = 0.0028902 k( 57) = ( 0.6637114 0.6637114 0.3707121), wk = 0.0028902 k( 58) = ( 0.6700080 0.6700080 0.3849703), wk = 0.0028902 k( 59) = ( 0.6763046 0.6763046 0.3992284), wk = 0.0028902 k( 60) = ( 0.6826012 0.6826012 0.4134866), wk = 0.0028902 k( 61) = ( 0.6826012 0.6826012 0.4134866), wk = 0.0028902 k( 62) = ( 0.6695583 0.6695583 0.4196661), wk = 0.0028902 k( 63) = ( 0.6565153 0.6565153 0.4258456), wk = 0.0028902 k( 64) = ( 0.6434724 0.6434724 0.4320252), wk = 0.0028902 k( 65) = ( 0.6304294 0.6304294 0.4382047), wk = 0.0028902 k( 66) = ( 0.6173865 0.6173865 0.4443842), wk = 0.0028902 k( 67) = ( 0.6043435 0.6043435 0.4505638), wk = 0.0028902 k( 68) = ( 0.5913006 0.5913006 0.4567433), wk = 0.0028902 k( 69) = ( 0.5782577 0.5782577 0.4629228), wk = 0.0028902 k( 70) = ( 0.5652147 0.5652147 0.4691024), wk = 0.0028902 k( 71) = ( 0.5521718 0.5521718 0.4752819), wk = 0.0028902 k( 72) = ( 0.5391288 0.5391288 0.4814614), wk = 0.0028902 k( 73) = ( 0.5260859 0.5260859 0.4876409), wk = 0.0028902 k( 74) = ( 0.5130429 0.5130429 0.4938205), wk = 0.0028902 k( 75) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 77) = ( 0.5064718 0.4935282 0.5000000), wk = 0.0028902 k( 78) = ( 0.5129437 0.4870563 0.5000000), wk = 0.0028902 k( 79) = ( 0.5194155 0.4805845 0.5000000), wk = 0.0028902 k( 80) = ( 0.5258873 0.4741127 0.5000000), wk = 0.0028902 k( 81) = ( 0.5323592 0.4676408 0.5000000), wk = 0.0028902 k( 82) = ( 0.5388310 0.4611690 0.5000000), wk = 0.0028902 k( 83) = ( 0.5453028 0.4546972 0.5000000), wk = 0.0028902 k( 84) = ( 0.5517746 0.4482254 0.5000000), wk = 0.0028902 k( 85) = ( 0.5582465 0.4417535 0.5000000), wk = 0.0028902 k( 86) = ( 0.5647183 0.4352817 0.5000000), wk = 0.0028902 k( 87) = ( 0.5711901 0.4288099 0.5000000), wk = 0.0028902 k( 88) = ( 0.5776620 0.4223380 0.5000000), wk = 0.0028902 k( 89) = ( 0.5841338 0.4158662 0.5000000), wk = 0.0028902 k( 90) = ( 0.5906056 0.4093944 0.5000000), wk = 0.0028902 k( 91) = ( 0.5970775 0.4029225 0.5000000), wk = 0.0028902 k( 92) = ( 0.6035493 0.3964507 0.5000000), wk = 0.0028902 k( 93) = ( 0.6100211 0.3899789 0.5000000), wk = 0.0028902 k( 94) = ( 0.6164930 0.3835071 0.5000000), wk = 0.0028902 k( 95) = ( 0.6229648 0.3770352 0.5000000), wk = 0.0028902 k( 96) = ( 0.6294366 0.3705634 0.5000000), wk = 0.0028902 k( 97) = ( 0.6359084 0.3640916 0.5000000), wk = 0.0028902 k( 98) = ( 0.6423803 0.3576197 0.5000000), wk = 0.0028902 k( 99) = ( 0.6488521 0.3511479 0.5000000), wk = 0.0028902 k( 100) = ( 0.6553239 0.3446761 0.5000000), wk = 0.0028902 k( 101) = ( 0.6617958 0.3382042 0.5000000), wk = 0.0028902 k( 102) = ( 0.6682676 0.3317324 0.5000000), wk = 0.0028902 k( 103) = ( 0.6747394 0.3252606 0.5000000), wk = 0.0028902 k( 104) = ( 0.6812113 0.3187887 0.5000000), wk = 0.0028902 k( 105) = ( 0.6876831 0.3123169 0.5000000), wk = 0.0028902 k( 106) = ( 0.6941549 0.3058451 0.5000000), wk = 0.0028902 k( 107) = ( 0.7006267 0.2993732 0.5000000), wk = 0.0028902 k( 108) = ( 0.7070986 0.2929014 0.5000000), wk = 0.0028902 k( 109) = ( 0.7135704 0.2864296 0.5000000), wk = 0.0028902 k( 110) = ( 0.7200422 0.2799578 0.5000000), wk = 0.0028902 k( 111) = ( 0.7265141 0.2734859 0.5000000), wk = 0.0028902 k( 112) = ( 0.7329859 0.2670141 0.5000000), wk = 0.0028902 k( 113) = ( 0.7394577 0.2605423 0.5000000), wk = 0.0028902 k( 114) = ( 0.7459296 0.2540704 0.5000000), wk = 0.0028902 k( 115) = ( 0.2540704 -0.2540704 0.5000000), wk = 0.0028902 k( 116) = ( 0.2475558 -0.2475558 0.5000000), wk = 0.0028902 k( 117) = ( 0.2410412 -0.2410412 0.5000000), wk = 0.0028902 k( 118) = ( 0.2345266 -0.2345266 0.5000000), wk = 0.0028902 k( 119) = ( 0.2280119 -0.2280119 0.5000000), wk = 0.0028902 k( 120) = ( 0.2214973 -0.2214973 0.5000000), wk = 0.0028902 k( 121) = ( 0.2149827 -0.2149827 0.5000000), wk = 0.0028902 k( 122) = ( 0.2084680 -0.2084680 0.5000000), wk = 0.0028902 k( 123) = ( 0.2019534 -0.2019534 0.5000000), wk = 0.0028902 k( 124) = ( 0.1954388 -0.1954388 0.5000000), wk = 0.0028902 k( 125) = ( 0.1889242 -0.1889242 0.5000000), wk = 0.0028902 k( 126) = ( 0.1824096 -0.1824096 0.5000000), wk = 0.0028902 k( 127) = ( 0.1758949 -0.1758949 0.5000000), wk = 0.0028902 k( 128) = ( 0.1693803 -0.1693803 0.5000000), wk = 0.0028902 k( 129) = ( 0.1628657 -0.1628657 0.5000000), wk = 0.0028902 k( 130) = ( 0.1563510 -0.1563510 0.5000000), wk = 0.0028902 k( 131) = ( 0.1498364 -0.1498364 0.5000000), wk = 0.0028902 k( 132) = ( 0.1433218 -0.1433218 0.5000000), wk = 0.0028902 k( 133) = ( 0.1368072 -0.1368072 0.5000000), wk = 0.0028902 k( 134) = ( 0.1302925 -0.1302925 0.5000000), wk = 0.0028902 k( 135) = ( 0.1237779 -0.1237779 0.5000000), wk = 0.0028902 k( 136) = ( 0.1172633 -0.1172633 0.5000000), wk = 0.0028902 k( 137) = ( 0.1107487 -0.1107487 0.5000000), wk = 0.0028902 k( 138) = ( 0.1042340 -0.1042340 0.5000000), wk = 0.0028902 k( 139) = ( 0.0977194 -0.0977194 0.5000000), wk = 0.0028902 k( 140) = ( 0.0912048 -0.0912048 0.5000000), wk = 0.0028902 k( 141) = ( 0.0846902 -0.0846902 0.5000000), wk = 0.0028902 k( 142) = ( 0.0781755 -0.0781755 0.5000000), wk = 0.0028902 k( 143) = ( 0.0716609 -0.0716609 0.5000000), wk = 0.0028902 k( 144) = ( 0.0651463 -0.0651463 0.5000000), wk = 0.0028902 k( 145) = ( 0.0586316 -0.0586316 0.5000000), wk = 0.0028902 k( 146) = ( 0.0521170 -0.0521170 0.5000000), wk = 0.0028902 k( 147) = ( 0.0456024 -0.0456024 0.5000000), wk = 0.0028902 k( 148) = ( 0.0390878 -0.0390878 0.5000000), wk = 0.0028902 k( 149) = ( 0.0325731 -0.0325731 0.5000000), wk = 0.0028902 k( 150) = ( 0.0260585 -0.0260585 0.5000000), wk = 0.0028902 k( 151) = ( 0.0195439 -0.0195439 0.5000000), wk = 0.0028902 k( 152) = ( 0.0130292 -0.0130292 0.5000000), wk = 0.0028902 k( 153) = ( 0.0065146 -0.0065146 0.5000000), wk = 0.0028902 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 156) = ( 0.0186705 0.0186705 0.5050890), wk = 0.0028902 k( 157) = ( 0.0373410 0.0373410 0.5101781), wk = 0.0028902 k( 158) = ( 0.0560116 0.0560116 0.5152671), wk = 0.0028902 k( 159) = ( 0.0746821 0.0746821 0.5203561), wk = 0.0028902 k( 160) = ( 0.0933526 0.0933526 0.5254451), wk = 0.0028902 k( 161) = ( 0.1120231 0.1120231 0.5305342), wk = 0.0028902 k( 162) = ( 0.1306936 0.1306936 0.5356232), wk = 0.0028902 k( 163) = ( 0.1493641 0.1493641 0.5407122), wk = 0.0028902 k( 164) = ( 0.1680347 0.1680347 0.5458012), wk = 0.0028902 k( 165) = ( 0.1867052 0.1867052 0.5508903), wk = 0.0028902 k( 166) = ( 0.2053757 0.2053757 0.5559793), wk = 0.0028902 k( 167) = ( 0.2240462 0.2240462 0.5610683), wk = 0.0028902 k( 168) = ( 0.2427167 0.2427167 0.5661573), wk = 0.0028902 k( 169) = ( 0.2613872 0.2613872 0.5712464), wk = 0.0028902 k( 170) = ( 0.2800577 0.2800577 0.5763354), wk = 0.0028902 k( 171) = ( 0.2987283 0.2987283 0.5814244), wk = 0.0028902 k( 172) = ( 0.3173988 0.3173988 0.5865134), wk = 0.0028902 k( 173) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028902 k( 174) = ( 0.5065195 0.4934805 0.0000000), wk = 0.0028902 k( 175) = ( 0.5130389 0.4869611 0.0000000), wk = 0.0028902 k( 176) = ( 0.5195584 0.4804416 0.0000000), wk = 0.0028902 k( 177) = ( 0.5260779 0.4739221 0.0000000), wk = 0.0028902 k( 178) = ( 0.5325973 0.4674027 0.0000000), wk = 0.0028902 k( 179) = ( 0.5391168 0.4608832 0.0000000), wk = 0.0028902 k( 180) = ( 0.5456363 0.4543637 0.0000000), wk = 0.0028902 k( 181) = ( 0.5521557 0.4478443 0.0000000), wk = 0.0028902 k( 182) = ( 0.5586752 0.4413248 0.0000000), wk = 0.0028902 k( 183) = ( 0.5651947 0.4348054 0.0000000), wk = 0.0028902 k( 184) = ( 0.5717141 0.4282859 0.0000000), wk = 0.0028902 k( 185) = ( 0.5782336 0.4217664 0.0000000), wk = 0.0028902 k( 186) = ( 0.5847530 0.4152470 0.0000000), wk = 0.0028902 k( 187) = ( 0.5912725 0.4087275 0.0000000), wk = 0.0028902 k( 188) = ( 0.5977920 0.4022080 0.0000000), wk = 0.0028902 k( 189) = ( 0.6043114 0.3956886 -0.0000000), wk = 0.0028902 k( 190) = ( 0.6108309 0.3891691 0.0000000), wk = 0.0028902 k( 191) = ( 0.6173504 0.3826496 -0.0000000), wk = 0.0028902 k( 192) = ( 0.6238698 0.3761302 0.0000000), wk = 0.0028902 k( 193) = ( 0.6303893 0.3696107 0.0000000), wk = 0.0028902 k( 194) = ( 0.6369088 0.3630912 0.0000000), wk = 0.0028902 k( 195) = ( 0.6434282 0.3565718 0.0000000), wk = 0.0028902 k( 196) = ( 0.6499477 0.3500523 0.0000000), wk = 0.0028902 k( 197) = ( 0.6564672 0.3435328 0.0000000), wk = 0.0028902 k( 198) = ( 0.6629866 0.3370134 0.0000000), wk = 0.0028902 k( 199) = ( 0.6695061 0.3304939 0.0000000), wk = 0.0028902 k( 200) = ( 0.6760256 0.3239744 0.0000000), wk = 0.0028902 k( 201) = ( 0.6825450 0.3174550 0.0000000), wk = 0.0028902 k( 202) = ( 0.6890645 0.3109355 -0.0000000), wk = 0.0028902 k( 203) = ( 0.6955840 0.3044160 0.0000000), wk = 0.0028902 k( 204) = ( 0.7021034 0.2978966 -0.0000000), wk = 0.0028902 k( 205) = ( 0.7086229 0.2913771 0.0000000), wk = 0.0028902 k( 206) = ( 0.7151424 0.2848577 -0.0000000), wk = 0.0028902 k( 207) = ( 0.2848577 -0.2848577 -0.0000000), wk = 0.0028902 k( 208) = ( 0.2783836 -0.2783836 0.0000000), wk = 0.0028902 k( 209) = ( 0.2719096 -0.2719096 0.0000000), wk = 0.0028902 k( 210) = ( 0.2654355 -0.2654355 0.0000000), wk = 0.0028902 k( 211) = ( 0.2589615 -0.2589615 -0.0000000), wk = 0.0028902 k( 212) = ( 0.2524875 -0.2524875 -0.0000000), wk = 0.0028902 k( 213) = ( 0.2460134 -0.2460134 0.0000000), wk = 0.0028902 k( 214) = ( 0.2395394 -0.2395394 -0.0000000), wk = 0.0028902 k( 215) = ( 0.2330654 -0.2330654 -0.0000000), wk = 0.0028902 k( 216) = ( 0.2265913 -0.2265913 0.0000000), wk = 0.0028902 k( 217) = ( 0.2201173 -0.2201173 0.0000000), wk = 0.0028902 k( 218) = ( 0.2136432 -0.2136432 -0.0000000), wk = 0.0028902 k( 219) = ( 0.2071692 -0.2071692 0.0000000), wk = 0.0028902 k( 220) = ( 0.2006952 -0.2006952 -0.0000000), wk = 0.0028902 k( 221) = ( 0.1942211 -0.1942211 0.0000000), wk = 0.0028902 k( 222) = ( 0.1877471 -0.1877471 -0.0000000), wk = 0.0028902 k( 223) = ( 0.1812730 -0.1812731 -0.0000000), wk = 0.0028902 k( 224) = ( 0.1747990 -0.1747990 0.0000000), wk = 0.0028902 k( 225) = ( 0.1683250 -0.1683250 0.0000000), wk = 0.0028902 k( 226) = ( 0.1618509 -0.1618509 -0.0000000), wk = 0.0028902 k( 227) = ( 0.1553769 -0.1553769 -0.0000000), wk = 0.0028902 k( 228) = ( 0.1489029 -0.1489029 -0.0000000), wk = 0.0028902 k( 229) = ( 0.1424288 -0.1424288 -0.0000000), wk = 0.0028902 k( 230) = ( 0.1359548 -0.1359548 0.0000000), wk = 0.0028902 k( 231) = ( 0.1294808 -0.1294808 -0.0000000), wk = 0.0028902 k( 232) = ( 0.1230067 -0.1230067 0.0000000), wk = 0.0028902 k( 233) = ( 0.1165327 -0.1165327 0.0000000), wk = 0.0028902 k( 234) = ( 0.1100586 -0.1100586 0.0000000), wk = 0.0028902 k( 235) = ( 0.1035846 -0.1035846 0.0000000), wk = 0.0028902 k( 236) = ( 0.0971106 -0.0971106 0.0000000), wk = 0.0028902 k( 237) = ( 0.0906365 -0.0906365 0.0000000), wk = 0.0028902 k( 238) = ( 0.0841625 -0.0841625 0.0000000), wk = 0.0028902 k( 239) = ( 0.0776885 -0.0776884 -0.0000000), wk = 0.0028902 k( 240) = ( 0.0712144 -0.0712144 -0.0000000), wk = 0.0028902 k( 241) = ( 0.0647404 -0.0647404 -0.0000000), wk = 0.0028902 k( 242) = ( 0.0582663 -0.0582663 -0.0000000), wk = 0.0028902 k( 243) = ( 0.0517923 -0.0517923 0.0000000), wk = 0.0028902 k( 244) = ( 0.0453183 -0.0453183 0.0000000), wk = 0.0028902 k( 245) = ( 0.0388442 -0.0388442 0.0000000), wk = 0.0028902 k( 246) = ( 0.0323702 -0.0323702 -0.0000000), wk = 0.0028902 k( 247) = ( 0.0258961 -0.0258961 0.0000000), wk = 0.0028902 k( 248) = ( 0.0194221 -0.0194221 0.0000000), wk = 0.0028902 k( 249) = ( 0.0129481 -0.0129481 -0.0000000), wk = 0.0028902 k( 250) = ( 0.0064740 -0.0064740 0.0000000), wk = 0.0028902 k( 251) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 252) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 253) = ( 0.0121951 0.0000000 0.0000000), wk = 0.0028902 k( 254) = ( 0.0243902 0.0000000 0.0000000), wk = 0.0028902 k( 255) = ( 0.0365854 0.0000000 0.0000000), wk = 0.0028902 k( 256) = ( 0.0487805 -0.0000000 -0.0000000), wk = 0.0028902 k( 257) = ( 0.0609756 0.0000000 0.0000000), wk = 0.0028902 k( 258) = ( 0.0731707 0.0000000 0.0000000), wk = 0.0028902 k( 259) = ( 0.0853658 0.0000000 -0.0000000), wk = 0.0028902 k( 260) = ( 0.0975610 -0.0000000 -0.0000000), wk = 0.0028902 k( 261) = ( 0.1097561 0.0000000 0.0000000), wk = 0.0028902 k( 262) = ( 0.1219512 0.0000000 0.0000000), wk = 0.0028902 k( 263) = ( 0.1341463 0.0000000 0.0000000), wk = 0.0028902 k( 264) = ( 0.1463415 0.0000000 0.0000000), wk = 0.0028902 k( 265) = ( 0.1585366 -0.0000000 0.0000000), wk = 0.0028902 k( 266) = ( 0.1707317 0.0000000 -0.0000000), wk = 0.0028902 k( 267) = ( 0.1829268 0.0000000 -0.0000000), wk = 0.0028902 k( 268) = ( 0.1951219 -0.0000000 -0.0000000), wk = 0.0028902 k( 269) = ( 0.2073171 -0.0000000 0.0000000), wk = 0.0028902 k( 270) = ( 0.2195122 0.0000000 0.0000000), wk = 0.0028902 k( 271) = ( 0.2317073 0.0000000 0.0000000), wk = 0.0028902 k( 272) = ( 0.2439024 0.0000000 0.0000000), wk = 0.0028902 k( 273) = ( 0.2560976 0.0000000 0.0000000), wk = 0.0028902 k( 274) = ( 0.2682927 0.0000000 0.0000000), wk = 0.0028902 k( 275) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0028902 k( 276) = ( 0.2926829 0.0000000 -0.0000000), wk = 0.0028902 k( 277) = ( 0.3048781 0.0000000 -0.0000000), wk = 0.0028902 k( 278) = ( 0.3170732 0.0000000 0.0000000), wk = 0.0028902 k( 279) = ( 0.3292683 0.0000000 -0.0000000), wk = 0.0028902 k( 280) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0028902 k( 281) = ( 0.3536585 0.0000000 -0.0000000), wk = 0.0028902 k( 282) = ( 0.3658537 0.0000000 -0.0000000), wk = 0.0028902 k( 283) = ( 0.3780488 -0.0000000 0.0000000), wk = 0.0028902 k( 284) = ( 0.3902439 -0.0000000 -0.0000000), wk = 0.0028902 k( 285) = ( 0.4024390 -0.0000000 -0.0000000), wk = 0.0028902 k( 286) = ( 0.4146341 -0.0000000 -0.0000000), wk = 0.0028902 k( 287) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0028902 k( 288) = ( 0.4390244 0.0000000 0.0000000), wk = 0.0028902 k( 289) = ( 0.4512195 -0.0000000 0.0000000), wk = 0.0028902 k( 290) = ( 0.4634146 0.0000000 -0.0000000), wk = 0.0028902 k( 291) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0028902 k( 292) = ( 0.4878049 0.0000000 0.0000000), wk = 0.0028902 k( 293) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028902 k( 294) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 295) = ( 0.4903846 -0.0000000 0.4903846), wk = 0.0028902 k( 296) = ( 0.4807692 0.0000000 0.4807692), wk = 0.0028902 k( 297) = ( 0.4711538 -0.0000000 0.4711538), wk = 0.0028902 k( 298) = ( 0.4615385 -0.0000000 0.4615385), wk = 0.0028902 k( 299) = ( 0.4519231 0.0000000 0.4519231), wk = 0.0028902 k( 300) = ( 0.4423077 0.0000000 0.4423077), wk = 0.0028902 k( 301) = ( 0.4326923 0.0000000 0.4326923), wk = 0.0028902 k( 302) = ( 0.4230769 0.0000000 0.4230769), wk = 0.0028902 k( 303) = ( 0.4134615 -0.0000000 0.4134615), wk = 0.0028902 k( 304) = ( 0.4038462 0.0000000 0.4038462), wk = 0.0028902 k( 305) = ( 0.3942308 0.0000000 0.3942308), wk = 0.0028902 k( 306) = ( 0.3846154 -0.0000000 0.3846154), wk = 0.0028902 k( 307) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0028902 k( 308) = ( 0.3653846 0.0000000 0.3653846), wk = 0.0028902 k( 309) = ( 0.3557692 -0.0000000 0.3557692), wk = 0.0028902 k( 310) = ( 0.3461538 -0.0000000 0.3461538), wk = 0.0028902 k( 311) = ( 0.3365385 0.0000000 0.3365385), wk = 0.0028902 k( 312) = ( 0.3269231 0.0000000 0.3269231), wk = 0.0028902 k( 313) = ( 0.3173077 -0.0000000 0.3173077), wk = 0.0028902 k( 314) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0028902 k( 315) = ( 0.2980769 -0.0000000 0.2980769), wk = 0.0028902 k( 316) = ( 0.2884615 0.0000000 0.2884615), wk = 0.0028902 k( 317) = ( 0.2788462 -0.0000000 0.2788462), wk = 0.0028902 k( 318) = ( 0.2692308 0.0000000 0.2692308), wk = 0.0028902 k( 319) = ( 0.2596154 0.0000000 0.2596154), wk = 0.0028902 k( 320) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028902 k( 321) = ( 0.2403846 0.0000000 0.2403846), wk = 0.0028902 k( 322) = ( 0.2307692 -0.0000000 0.2307692), wk = 0.0028902 k( 323) = ( 0.2211539 0.0000000 0.2211539), wk = 0.0028902 k( 324) = ( 0.2115385 0.0000000 0.2115385), wk = 0.0028902 k( 325) = ( 0.2019231 -0.0000000 0.2019231), wk = 0.0028902 k( 326) = ( 0.1923077 -0.0000000 0.1923077), wk = 0.0028902 k( 327) = ( 0.1826923 0.0000000 0.1826923), wk = 0.0028902 k( 328) = ( 0.1730769 0.0000000 0.1730769), wk = 0.0028902 k( 329) = ( 0.1634615 0.0000000 0.1634615), wk = 0.0028902 k( 330) = ( 0.1538461 0.0000000 0.1538461), wk = 0.0028902 k( 331) = ( 0.1442308 0.0000000 0.1442308), wk = 0.0028902 k( 332) = ( 0.1346154 0.0000000 0.1346154), wk = 0.0028902 k( 333) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0028902 k( 334) = ( 0.1153846 -0.0000000 0.1153846), wk = 0.0028902 k( 335) = ( 0.1057692 0.0000000 0.1057692), wk = 0.0028902 k( 336) = ( 0.0961538 -0.0000000 0.0961538), wk = 0.0028902 k( 337) = ( 0.0865385 0.0000000 0.0865385), wk = 0.0028902 k( 338) = ( 0.0769231 0.0000000 0.0769231), wk = 0.0028902 k( 339) = ( 0.0673077 0.0000000 0.0673077), wk = 0.0028902 k( 340) = ( 0.0576923 -0.0000000 0.0576923), wk = 0.0028902 k( 341) = ( 0.0480769 0.0000000 0.0480769), wk = 0.0028902 k( 342) = ( 0.0384615 0.0000000 0.0384615), wk = 0.0028902 k( 343) = ( 0.0288462 -0.0000000 0.0288462), wk = 0.0028902 k( 344) = ( 0.0192308 0.0000000 0.0192308), wk = 0.0028902 k( 345) = ( 0.0096154 0.0000000 0.0096154), wk = 0.0028902 k( 346) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 Dense grid: 38033 G-vectors FFT dimensions: ( 60, 60, 45) Smooth grid: 24959 G-vectors FFT dimensions: ( 48, 48, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 178, 46) NL pseudopotentials 0.13 Mb ( 89, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1059) G-vector shells 0.01 Mb ( 1019) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.50 Mb ( 178, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.13 Mb ( 96, 2, 46) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./InSe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.6 secs Computing kpt #: 7 total cpu time spent up to now is 3.9 secs Computing kpt #: 8 total cpu time spent up to now is 4.2 secs Computing kpt #: 9 total cpu time spent up to now is 4.5 secs Computing kpt #: 10 total cpu time spent up to now is 4.8 secs Computing kpt #: 11 total cpu time spent up to now is 5.1 secs Computing kpt #: 12 total cpu time spent up to now is 5.4 secs Computing kpt #: 13 total cpu time spent up to now is 5.7 secs Computing kpt #: 14 total cpu time spent up to now is 6.0 secs Computing kpt #: 15 total cpu time spent up to now is 6.4 secs Computing kpt #: 16 total cpu time spent up to now is 6.7 secs Computing kpt #: 17 total cpu time spent up to now is 7.1 secs Computing kpt #: 18 total cpu time spent up to now is 7.4 secs Computing kpt #: 19 total cpu time spent up to now is 7.8 secs Computing kpt #: 20 total cpu time spent up to now is 8.1 secs Computing kpt #: 21 total cpu time spent up to now is 8.4 secs Computing kpt #: 22 total cpu time spent up to now is 8.7 secs Computing kpt #: 23 total cpu time spent up to now is 9.0 secs Computing kpt #: 24 total cpu time spent up to now is 9.3 secs Computing kpt #: 25 total cpu time spent up to now is 9.6 secs Computing kpt #: 26 total cpu time spent up to now is 9.8 secs Computing kpt #: 27 total cpu time spent up to now is 10.1 secs Computing kpt #: 28 total cpu time spent up to now is 10.4 secs Computing kpt #: 29 total cpu time spent up to now is 10.7 secs Computing kpt #: 30 total cpu time spent up to now is 10.9 secs Computing kpt #: 31 total cpu time spent up to now is 11.2 secs Computing kpt #: 32 total cpu time spent up to now is 11.5 secs Computing kpt #: 33 total cpu time spent up to now is 11.7 secs Computing kpt #: 34 total cpu time spent up to now is 12.0 secs Computing kpt #: 35 total cpu time spent up to now is 12.3 secs Computing kpt #: 36 total cpu time spent up to now is 12.5 secs Computing kpt #: 37 total cpu time spent up to now is 12.8 secs Computing kpt #: 38 total cpu time spent up to now is 13.1 secs Computing kpt #: 39 total cpu time spent up to now is 13.4 secs Computing kpt #: 40 total cpu time spent up to now is 13.6 secs Computing kpt #: 41 total cpu time spent up to now is 13.9 secs Computing kpt #: 42 total cpu time spent up to now is 14.2 secs Computing kpt #: 43 total cpu time spent up to now is 14.4 secs Computing kpt #: 44 total cpu time spent up to now is 14.7 secs Computing kpt #: 45 total cpu time spent up to now is 15.0 secs Computing kpt #: 46 total cpu time spent up to now is 15.3 secs Computing kpt #: 47 total cpu time spent up to now is 15.5 secs Computing kpt #: 48 total cpu time spent up to now is 15.8 secs Computing kpt #: 49 total cpu time spent up to now is 16.1 secs Computing kpt #: 50 total cpu time spent up to now is 16.4 secs Computing kpt #: 51 total cpu time spent up to now is 16.8 secs Computing kpt #: 52 total cpu time spent up to now is 17.1 secs Computing kpt #: 53 total cpu time spent up to now is 17.4 secs Computing kpt #: 54 total cpu time spent up to now is 17.8 secs Computing kpt #: 55 total cpu time spent up to now is 18.1 secs Computing kpt #: 56 total cpu time spent up to now is 18.4 secs Computing kpt #: 57 total cpu time spent up to now is 18.7 secs Computing kpt #: 58 total cpu time spent up to now is 19.0 secs Computing kpt #: 59 total cpu time spent up to now is 19.3 secs Computing kpt #: 60 total cpu time spent up to now is 19.5 secs Computing kpt #: 61 total cpu time spent up to now is 19.8 secs Computing kpt #: 62 total cpu time spent up to now is 20.1 secs Computing kpt #: 63 total cpu time spent up to now is 20.3 secs Computing kpt #: 64 total cpu time spent up to now is 20.6 secs Computing kpt #: 65 total cpu time spent up to now is 20.9 secs Computing kpt #: 66 total cpu time spent up to now is 21.1 secs Computing kpt #: 67 total cpu time spent up to now is 21.4 secs Computing kpt #: 68 total cpu time spent up to now is 21.7 secs Computing kpt #: 69 total cpu time spent up to now is 21.9 secs Computing kpt #: 70 total cpu time spent up to now is 22.2 secs Computing kpt #: 71 total cpu time spent up to now is 22.4 secs Computing kpt #: 72 total cpu time spent up to now is 22.7 secs Computing kpt #: 73 total cpu time spent up to now is 22.9 secs Computing kpt #: 74 total cpu time spent up to now is 23.2 secs Computing kpt #: 75 total cpu time spent up to now is 23.4 secs Computing kpt #: 76 total cpu time spent up to now is 23.7 secs Computing kpt #: 77 total cpu time spent up to now is 23.9 secs Computing kpt #: 78 total cpu time spent up to now is 24.1 secs Computing kpt #: 79 total cpu time spent up to now is 24.4 secs Computing kpt #: 80 total cpu time spent up to now is 24.6 secs Computing kpt #: 81 total cpu time spent up to now is 24.9 secs Computing kpt #: 82 total cpu time spent up to now is 25.1 secs Computing kpt #: 83 total cpu time spent up to now is 25.4 secs Computing kpt #: 84 total cpu time spent up to now is 25.6 secs Computing kpt #: 85 total cpu time spent up to now is 25.9 secs Computing kpt #: 86 total cpu time spent up to now is 26.1 secs Computing kpt #: 87 total cpu time spent up to now is 26.4 secs Computing kpt #: 88 total cpu time spent up to now is 26.6 secs Computing kpt #: 89 total cpu time spent up to now is 26.9 secs Computing kpt #: 90 total cpu time spent up to now is 27.1 secs Computing kpt #: 91 total cpu time spent up to now is 27.4 secs Computing kpt #: 92 total cpu time spent up to now is 27.6 secs Computing kpt #: 93 total cpu time spent up to now is 27.9 secs Computing kpt #: 94 total cpu time spent up to now is 28.2 secs Computing kpt #: 95 total cpu time spent up to now is 28.4 secs Computing kpt #: 96 total cpu time spent up to now is 28.7 secs Computing kpt #: 97 total cpu time spent up to now is 29.0 secs Computing kpt #: 98 total cpu time spent up to now is 29.2 secs Computing kpt #: 99 total cpu time spent up to now is 29.5 secs Computing kpt #: 100 total cpu time spent up to now is 29.8 secs Computing kpt #: 101 total cpu time spent up to now is 30.0 secs Computing kpt #: 102 total cpu time spent up to now is 30.3 secs Computing kpt #: 103 total cpu time spent up to now is 30.6 secs Computing kpt #: 104 total cpu time spent up to now is 30.8 secs Computing kpt #: 105 total cpu time spent up to now is 31.1 secs Computing kpt #: 106 total cpu time spent up to now is 31.3 secs Computing kpt #: 107 total cpu time spent up to now is 31.6 secs Computing kpt #: 108 total cpu time spent up to now is 31.9 secs Computing kpt #: 109 total cpu time spent up to now is 32.1 secs Computing kpt #: 110 total cpu time spent up to now is 32.4 secs Computing kpt #: 111 total cpu time spent up to now is 32.7 secs Computing kpt #: 112 total cpu time spent up to now is 32.9 secs Computing kpt #: 113 total cpu time spent up to now is 33.2 secs Computing kpt #: 114 total cpu time spent up to now is 33.4 secs Computing kpt #: 115 total cpu time spent up to now is 33.7 secs Computing kpt #: 116 total cpu time spent up to now is 34.0 secs Computing kpt #: 117 total cpu time spent up to now is 34.2 secs Computing kpt #: 118 total cpu time spent up to now is 34.5 secs Computing kpt #: 119 total cpu time spent up to now is 34.8 secs Computing kpt #: 120 total cpu time spent up to now is 35.0 secs Computing kpt #: 121 total cpu time spent up to now is 35.3 secs Computing kpt #: 122 total cpu time spent up to now is 35.6 secs Computing kpt #: 123 total cpu time spent up to now is 35.9 secs Computing kpt #: 124 total cpu time spent up to now is 36.2 secs Computing kpt #: 125 total cpu time spent up to now is 36.5 secs Computing kpt #: 126 total cpu time spent up to now is 36.9 secs Computing kpt #: 127 total cpu time spent up to now is 37.2 secs Computing kpt #: 128 total cpu time spent up to now is 37.6 secs Computing kpt #: 129 total cpu time spent up to now is 37.9 secs Computing kpt #: 130 total cpu time spent up to now is 38.2 secs Computing kpt #: 131 total cpu time spent up to now is 38.6 secs Computing kpt #: 132 total cpu time spent up to now is 38.9 secs Computing kpt #: 133 total cpu time spent up to now is 39.3 secs Computing kpt #: 134 total cpu time spent up to now is 39.6 secs Computing kpt #: 135 total cpu time spent up to now is 39.9 secs Computing kpt #: 136 total cpu time spent up to now is 40.3 secs Computing kpt #: 137 total cpu time spent up to now is 40.5 secs Computing kpt #: 138 total cpu time spent up to now is 40.8 secs Computing kpt #: 139 total cpu time spent up to now is 41.1 secs Computing kpt #: 140 total cpu time spent up to now is 41.3 secs Computing kpt #: 141 total cpu time spent up to now is 41.6 secs Computing kpt #: 142 total cpu time spent up to now is 41.8 secs Computing kpt #: 143 total cpu time spent up to now is 42.1 secs Computing kpt #: 144 total cpu time spent up to now is 42.4 secs Computing kpt #: 145 total cpu time spent up to now is 42.6 secs Computing kpt #: 146 total cpu time spent up to now is 42.8 secs Computing kpt #: 147 total cpu time spent up to now is 43.1 secs Computing kpt #: 148 total cpu time spent up to now is 43.3 secs Computing kpt #: 149 total cpu time spent up to now is 43.6 secs Computing kpt #: 150 total cpu time spent up to now is 43.8 secs Computing kpt #: 151 total cpu time spent up to now is 44.1 secs Computing kpt #: 152 total cpu time spent up to now is 44.3 secs Computing kpt #: 153 total cpu time spent up to now is 44.5 secs Computing kpt #: 154 total cpu time spent up to now is 44.8 secs Computing kpt #: 155 total cpu time spent up to now is 45.0 secs Computing kpt #: 156 total cpu time spent up to now is 45.2 secs Computing kpt #: 157 total cpu time spent up to now is 45.5 secs Computing kpt #: 158 total cpu time spent up to now is 45.7 secs Computing kpt #: 159 total cpu time spent up to now is 45.9 secs Computing kpt #: 160 total cpu time spent up to now is 46.2 secs Computing kpt #: 161 total cpu time spent up to now is 46.4 secs Computing kpt #: 162 total cpu time spent up to now is 46.7 secs Computing kpt #: 163 total cpu time spent up to now is 46.9 secs Computing kpt #: 164 total cpu time spent up to now is 47.2 secs Computing kpt #: 165 total cpu time spent up to now is 47.4 secs Computing kpt #: 166 total cpu time spent up to now is 47.7 secs Computing kpt #: 167 total cpu time spent up to now is 48.0 secs Computing kpt #: 168 total cpu time spent up to now is 48.2 secs Computing kpt #: 169 total cpu time spent up to now is 48.5 secs Computing kpt #: 170 total cpu time spent up to now is 48.8 secs Computing kpt #: 171 total cpu time spent up to now is 49.0 secs Computing kpt #: 172 total cpu time spent up to now is 49.3 secs Computing kpt #: 173 total cpu time spent up to now is 49.6 secs Computing kpt #: 174 total cpu time spent up to now is 49.8 secs Computing kpt #: 175 total cpu time spent up to now is 50.1 secs Computing kpt #: 176 total cpu time spent up to now is 50.4 secs Computing kpt #: 177 total cpu time spent up to now is 50.7 secs Computing kpt #: 178 total cpu time spent up to now is 50.9 secs Computing kpt #: 179 total cpu time spent up to now is 51.2 secs Computing kpt #: 180 total cpu time spent up to now is 51.5 secs Computing kpt #: 181 total cpu time spent up to now is 51.8 secs Computing kpt #: 182 total cpu time spent up to now is 52.1 secs Computing kpt #: 183 total cpu time spent up to now is 52.4 secs Computing kpt #: 184 total cpu time spent up to now is 52.7 secs Computing kpt #: 185 total cpu time spent up to now is 53.0 secs Computing kpt #: 186 total cpu time spent up to now is 53.2 secs Computing kpt #: 187 total cpu time spent up to now is 53.5 secs Computing kpt #: 188 total cpu time spent up to now is 53.8 secs Computing kpt #: 189 total cpu time spent up to now is 54.1 secs Computing kpt #: 190 total cpu time spent up to now is 54.4 secs Computing kpt #: 191 total cpu time spent up to now is 54.7 secs Computing kpt #: 192 total cpu time spent up to now is 55.0 secs Computing kpt #: 193 total cpu time spent up to now is 55.3 secs Computing kpt #: 194 total cpu time spent up to now is 55.6 secs Computing kpt #: 195 total cpu time spent up to now is 55.9 secs Computing kpt #: 196 total cpu time spent up to now is 56.1 secs Computing kpt #: 197 total cpu time spent up to now is 56.4 secs Computing kpt #: 198 total cpu time spent up to now is 56.7 secs Computing kpt #: 199 total cpu time spent up to now is 57.0 secs Computing kpt #: 200 total cpu time spent up to now is 57.3 secs Computing kpt #: 201 total cpu time spent up to now is 57.5 secs Computing kpt #: 202 total cpu time spent up to now is 57.8 secs Computing kpt #: 203 total cpu time spent up to now is 58.1 secs Computing kpt #: 204 total cpu time spent up to now is 58.4 secs Computing kpt #: 205 total cpu time spent up to now is 58.7 secs Computing kpt #: 206 total cpu time spent up to now is 59.0 secs Computing kpt #: 207 total cpu time spent up to now is 59.2 secs Computing kpt #: 208 total cpu time spent up to now is 59.5 secs Computing kpt #: 209 total cpu time spent up to now is 59.8 secs Computing kpt #: 210 total cpu time spent up to now is 60.1 secs Computing kpt #: 211 total cpu time spent up to now is 60.3 secs Computing kpt #: 212 total cpu time spent up to now is 60.6 secs Computing kpt #: 213 total cpu time spent up to now is 60.9 secs Computing kpt #: 214 total cpu time spent up to now is 61.2 secs Computing kpt #: 215 total cpu time spent up to now is 61.5 secs Computing kpt #: 216 total cpu time spent up to now is 61.8 secs Computing kpt #: 217 total cpu time spent up to now is 62.1 secs Computing kpt #: 218 total cpu time spent up to now is 62.4 secs Computing kpt #: 219 total cpu time spent up to now is 62.7 secs Computing kpt #: 220 total cpu time spent up to now is 63.1 secs Computing kpt #: 221 total cpu time spent up to now is 63.4 secs Computing kpt #: 222 total cpu time spent up to now is 63.7 secs Computing kpt #: 223 total cpu time spent up to now is 64.1 secs Computing kpt #: 224 total cpu time spent up to now is 64.4 secs Computing kpt #: 225 total cpu time spent up to now is 64.8 secs Computing kpt #: 226 total cpu time spent up to now is 65.1 secs Computing kpt #: 227 total cpu time spent up to now is 65.4 secs Computing kpt #: 228 total cpu time spent up to now is 65.7 secs Computing kpt #: 229 total cpu time spent up to now is 66.0 secs Computing kpt #: 230 total cpu time spent up to now is 66.3 secs Computing kpt #: 231 total cpu time spent up to now is 66.5 secs Computing kpt #: 232 total cpu time spent up to now is 66.8 secs Computing kpt #: 233 total cpu time spent up to now is 67.1 secs Computing kpt #: 234 total cpu time spent up to now is 67.3 secs Computing kpt #: 235 total cpu time spent up to now is 67.6 secs Computing kpt #: 236 total cpu time spent up to now is 67.9 secs Computing kpt #: 237 total cpu time spent up to now is 68.2 secs Computing kpt #: 238 total cpu time spent up to now is 68.5 secs Computing kpt #: 239 total cpu time spent up to now is 68.7 secs Computing kpt #: 240 total cpu time spent up to now is 69.0 secs Computing kpt #: 241 total cpu time spent up to now is 69.3 secs Computing kpt #: 242 total cpu time spent up to now is 69.6 secs Computing kpt #: 243 total cpu time spent up to now is 69.9 secs Computing kpt #: 244 total cpu time spent up to now is 70.1 secs Computing kpt #: 245 total cpu time spent up to now is 70.4 secs Computing kpt #: 246 total cpu time spent up to now is 70.7 secs Computing kpt #: 247 total cpu time spent up to now is 71.0 secs Computing kpt #: 248 total cpu time spent up to now is 71.3 secs Computing kpt #: 249 total cpu time spent up to now is 71.6 secs Computing kpt #: 250 total cpu time spent up to now is 71.9 secs Computing kpt #: 251 total cpu time spent up to now is 72.1 secs Computing kpt #: 252 total cpu time spent up to now is 72.4 secs Computing kpt #: 253 total cpu time spent up to now is 72.7 secs Computing kpt #: 254 total cpu time spent up to now is 73.0 secs Computing kpt #: 255 total cpu time spent up to now is 73.3 secs Computing kpt #: 256 total cpu time spent up to now is 73.6 secs Computing kpt #: 257 total cpu time spent up to now is 73.9 secs Computing kpt #: 258 total cpu time spent up to now is 74.1 secs Computing kpt #: 259 total cpu time spent up to now is 74.4 secs Computing kpt #: 260 total cpu time spent up to now is 74.7 secs Computing kpt #: 261 total cpu time spent up to now is 75.0 secs Computing kpt #: 262 total cpu time spent up to now is 75.3 secs Computing kpt #: 263 total cpu time spent up to now is 75.5 secs Computing kpt #: 264 total cpu time spent up to now is 75.8 secs Computing kpt #: 265 total cpu time spent up to now is 76.1 secs Computing kpt #: 266 total cpu time spent up to now is 76.4 secs Computing kpt #: 267 total cpu time spent up to now is 76.7 secs Computing kpt #: 268 total cpu time spent up to now is 77.1 secs Computing kpt #: 269 total cpu time spent up to now is 77.4 secs Computing kpt #: 270 total cpu time spent up to now is 77.7 secs Computing kpt #: 271 total cpu time spent up to now is 78.1 secs Computing kpt #: 272 total cpu time spent up to now is 78.4 secs Computing kpt #: 273 total cpu time spent up to now is 78.8 secs Computing kpt #: 274 total cpu time spent up to now is 79.1 secs Computing kpt #: 275 total cpu time spent up to now is 79.5 secs Computing kpt #: 276 total cpu time spent up to now is 79.8 secs Computing kpt #: 277 total cpu time spent up to now is 80.2 secs Computing kpt #: 278 total cpu time spent up to now is 80.5 secs Computing kpt #: 279 total cpu time spent up to now is 80.8 secs Computing kpt #: 280 total cpu time spent up to now is 81.1 secs Computing kpt #: 281 total cpu time spent up to now is 81.4 secs Computing kpt #: 282 total cpu time spent up to now is 81.6 secs Computing kpt #: 283 total cpu time spent up to now is 81.9 secs Computing kpt #: 284 total cpu time spent up to now is 82.2 secs Computing kpt #: 285 total cpu time spent up to now is 82.5 secs Computing kpt #: 286 total cpu time spent up to now is 82.7 secs Computing kpt #: 287 total cpu time spent up to now is 83.0 secs Computing kpt #: 288 total cpu time spent up to now is 83.3 secs Computing kpt #: 289 total cpu time spent up to now is 83.5 secs Computing kpt #: 290 total cpu time spent up to now is 83.8 secs Computing kpt #: 291 total cpu time spent up to now is 84.1 secs Computing kpt #: 292 total cpu time spent up to now is 84.3 secs Computing kpt #: 293 total cpu time spent up to now is 84.6 secs Computing kpt #: 294 total cpu time spent up to now is 84.8 secs Computing kpt #: 295 total cpu time spent up to now is 85.1 secs Computing kpt #: 296 total cpu time spent up to now is 85.3 secs Computing kpt #: 297 total cpu time spent up to now is 85.6 secs Computing kpt #: 298 total cpu time spent up to now is 85.8 secs Computing kpt #: 299 total cpu time spent up to now is 86.1 secs Computing kpt #: 300 total cpu time spent up to now is 86.3 secs Computing kpt #: 301 total cpu time spent up to now is 86.6 secs Computing kpt #: 302 total cpu time spent up to now is 86.8 secs Computing kpt #: 303 total cpu time spent up to now is 87.1 secs Computing kpt #: 304 total cpu time spent up to now is 87.3 secs Computing kpt #: 305 total cpu time spent up to now is 87.6 secs Computing kpt #: 306 total cpu time spent up to now is 87.9 secs Computing kpt #: 307 total cpu time spent up to now is 88.1 secs Computing kpt #: 308 total cpu time spent up to now is 88.4 secs Computing kpt #: 309 total cpu time spent up to now is 88.7 secs Computing kpt #: 310 total cpu time spent up to now is 89.0 secs Computing kpt #: 311 total cpu time spent up to now is 89.2 secs Computing kpt #: 312 total cpu time spent up to now is 89.5 secs Computing kpt #: 313 total cpu time spent up to now is 89.8 secs Computing kpt #: 314 total cpu time spent up to now is 90.0 secs Computing kpt #: 315 total cpu time spent up to now is 90.3 secs Computing kpt #: 316 total cpu time spent up to now is 90.6 secs Computing kpt #: 317 total cpu time spent up to now is 90.8 secs Computing kpt #: 318 total cpu time spent up to now is 91.1 secs Computing kpt #: 319 total cpu time spent up to now is 91.3 secs Computing kpt #: 320 total cpu time spent up to now is 91.6 secs Computing kpt #: 321 total cpu time spent up to now is 91.9 secs Computing kpt #: 322 total cpu time spent up to now is 92.1 secs Computing kpt #: 323 total cpu time spent up to now is 92.4 secs Computing kpt #: 324 total cpu time spent up to now is 92.7 secs Computing kpt #: 325 total cpu time spent up to now is 93.0 secs Computing kpt #: 326 total cpu time spent up to now is 93.3 secs Computing kpt #: 327 total cpu time spent up to now is 93.6 secs Computing kpt #: 328 total cpu time spent up to now is 93.9 secs Computing kpt #: 329 total cpu time spent up to now is 94.2 secs Computing kpt #: 330 total cpu time spent up to now is 94.4 secs Computing kpt #: 331 total cpu time spent up to now is 94.7 secs Computing kpt #: 332 total cpu time spent up to now is 95.0 secs Computing kpt #: 333 total cpu time spent up to now is 95.3 secs Computing kpt #: 334 total cpu time spent up to now is 95.5 secs Computing kpt #: 335 total cpu time spent up to now is 95.8 secs Computing kpt #: 336 total cpu time spent up to now is 96.1 secs Computing kpt #: 337 total cpu time spent up to now is 96.4 secs Computing kpt #: 338 total cpu time spent up to now is 96.6 secs Computing kpt #: 339 total cpu time spent up to now is 96.9 secs Computing kpt #: 340 total cpu time spent up to now is 97.2 secs Computing kpt #: 341 total cpu time spent up to now is 97.5 secs Computing kpt #: 342 total cpu time spent up to now is 97.7 secs Computing kpt #: 343 total cpu time spent up to now is 98.0 secs Computing kpt #: 344 total cpu time spent up to now is 98.3 secs Computing kpt #: 345 total cpu time spent up to now is 98.6 secs Computing kpt #: 346 total cpu time spent up to now is 98.9 secs ethr = 2.63E-08, avg # of iterations = 17.7 total cpu time spent up to now is 98.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3105 PWs) bands (ev): -7.5020 -7.5020 -7.4950 -7.4950 -7.3569 -7.3569 -7.3531 -7.3531 -6.6878 -6.6878 -6.6396 -6.6396 -6.5210 -6.5210 -6.5139 -6.5139 -6.4321 -6.4321 -6.3631 -6.3631 -5.9823 -5.9823 -3.9882 -3.9882 2.7918 2.7918 3.3732 3.3732 3.4598 3.4598 4.6468 4.6468 5.2032 5.2032 5.6633 5.6633 6.3436 6.3436 10.2410 10.2410 10.9621 10.9621 11.8411 11.8411 12.0874 12.0874 k = 0.0172 0.0060-0.0068 ( 3105 PWs) bands (ev): -7.5039 -7.5039 -7.4930 -7.4930 -7.3570 -7.3570 -7.3530 -7.3530 -6.6882 -6.6882 -6.6391 -6.6391 -6.5212 -6.5212 -6.5136 -6.5136 -6.4320 -6.4320 -6.3630 -6.3630 -5.9819 -5.9819 -3.9892 -3.9892 2.7745 2.7745 3.3598 3.3598 3.4940 3.4940 4.6477 4.6477 5.2015 5.2015 5.6660 5.6660 6.3457 6.3457 10.2323 10.2323 10.9574 10.9574 11.8458 11.8458 12.0899 12.0899 k = 0.0345 0.0121-0.0135 ( 3105 PWs) bands (ev): -7.5074 -7.5074 -7.4892 -7.4892 -7.3574 -7.3574 -7.3528 -7.3528 -6.6895 -6.6895 -6.6377 -6.6377 -6.5218 -6.5218 -6.5130 -6.5130 -6.4318 -6.4318 -6.3629 -6.3629 -5.9807 -5.9807 -3.9924 -3.9924 2.7274 2.7274 3.3441 3.3441 3.5670 3.5670 4.6505 4.6505 5.1965 5.1965 5.6740 5.6740 6.3518 6.3518 10.2061 10.2061 10.9442 10.9442 11.8585 11.8585 12.0976 12.0976 k = 0.0517 0.0181-0.0203 ( 3107 PWs) bands (ev): -7.5110 -7.5110 -7.4850 -7.4850 -7.3579 -7.3579 -7.3526 -7.3526 -6.6915 -6.6915 -6.6356 -6.6356 -6.5226 -6.5226 -6.5120 -6.5120 -6.4316 -6.4316 -6.3626 -6.3626 -5.9786 -5.9786 -3.9978 -3.9978 2.6600 2.6600 3.3372 3.3372 3.6576 3.6576 4.6561 4.6561 5.1884 5.1884 5.6872 5.6872 6.3618 6.3618 10.1629 10.1629 10.9248 10.9248 11.8762 11.8762 12.1106 12.1106 k = 0.0690 0.0242-0.0270 ( 3112 PWs) bands (ev): -7.5147 -7.5147 -7.4806 -7.4806 -7.3585 -7.3585 -7.3523 -7.3523 -6.6940 -6.6940 -6.6330 -6.6330 -6.5234 -6.5234 -6.5109 -6.5109 -6.4312 -6.4312 -6.3622 -6.3622 -5.9757 -5.9757 -4.0051 -4.0051 2.5811 2.5811 3.3376 3.3376 3.7571 3.7571 4.6660 4.6660 5.1775 5.1775 5.7052 5.7052 6.3754 6.3754 10.1037 10.1037 10.9017 10.9017 11.8948 11.8948 12.1290 12.1290 k = 0.0862 0.0302-0.0338 ( 3108 PWs) bands (ev): -7.5182 -7.5182 -7.4760 -7.4760 -7.3592 -7.3592 -7.3521 -7.3521 -6.6969 -6.6969 -6.6301 -6.6301 -6.5243 -6.5243 -6.5097 -6.5097 -6.4308 -6.4308 -6.3617 -6.3617 -5.9720 -5.9720 -4.0145 -4.0145 2.4967 2.4967 3.3431 3.3431 3.8595 3.8595 4.6824 4.6824 5.1642 5.1642 5.7276 5.7276 6.3924 6.3924 10.0297 10.0297 10.8771 10.8771 11.9109 11.9109 12.1525 12.1525 k = 0.1034 0.0362-0.0405 ( 3103 PWs) bands (ev): -7.5217 -7.5217 -7.4713 -7.4713 -7.3600 -7.3600 -7.3519 -7.3519 -6.6999 -6.6999 -6.6271 -6.6271 -6.5251 -6.5251 -6.5084 -6.5084 -6.4303 -6.4303 -6.3610 -6.3610 -5.9674 -5.9674 -4.0259 -4.0259 2.4103 2.4103 3.3522 3.3522 3.9598 3.9598 4.7083 4.7083 5.1491 5.1491 5.7538 5.7538 6.4122 6.4122 9.9429 9.9429 10.8523 10.8523 11.9224 11.9224 12.1799 12.1799 k = 0.1207 0.0423-0.0473 ( 3105 PWs) bands (ev): -7.5251 -7.5251 -7.4666 -7.4666 -7.3608 -7.3608 -7.3517 -7.3517 -6.7031 -6.7031 -6.6241 -6.6241 -6.5258 -6.5258 -6.5070 -6.5070 -6.4299 -6.4299 -6.3602 -6.3602 -5.9620 -5.9620 -4.0391 -4.0391 2.3241 2.3241 3.3640 3.3640 4.0527 4.0527 4.7476 4.7476 5.1329 5.1329 5.7833 5.7833 6.4345 6.4345 9.8454 9.8454 10.8281 10.8281 11.9284 11.9284 12.2098 12.2098 k = 0.1379 0.0483-0.0541 ( 3100 PWs) bands (ev): -7.5283 -7.5283 -7.4618 -7.4618 -7.3616 -7.3616 -7.3516 -7.3516 -6.7063 -6.7063 -6.6212 -6.6212 -6.5264 -6.5264 -6.5056 -6.5056 -6.4295 -6.4295 -6.3593 -6.3593 -5.9557 -5.9557 -4.0540 -4.0540 2.2395 2.2395 3.3777 3.3777 4.1337 4.1337 4.8033 4.8033 5.1167 5.1167 5.8158 5.8158 6.4588 6.4588 9.7395 9.7395 10.8047 10.8047 11.9292 11.9292 12.2412 12.2412 k = 0.1552 0.0543-0.0608 ( 3110 PWs) bands (ev): -7.5314 -7.5314 -7.4569 -7.4569 -7.3625 -7.3625 -7.3515 -7.3515 -6.7094 -6.7094 -6.6185 -6.6185 -6.5269 -6.5269 -6.5041 -6.5041 -6.4291 -6.4291 -6.3582 -6.3582 -5.9486 -5.9486 -4.0706 -4.0706 2.1574 2.1574 3.3927 3.3927 4.2001 4.2001 4.8754 4.8754 5.1034 5.1034 5.8506 5.8506 6.4848 6.4848 9.6272 9.6272 10.7820 10.7820 11.9257 11.9257 12.2738 12.2738 k = 0.1724 0.0604-0.0676 ( 3113 PWs) bands (ev): -7.5344 -7.5344 -7.4520 -7.4520 -7.3634 -7.3634 -7.3515 -7.3515 -6.7124 -6.7124 -6.6163 -6.6163 -6.5271 -6.5271 -6.5026 -6.5026 -6.4287 -6.4287 -6.3571 -6.3571 -5.9406 -5.9406 -4.0886 -4.0886 2.0783 2.0783 3.4085 3.4085 4.2524 4.2524 4.9530 4.9530 5.1035 5.1035 5.8875 5.8875 6.5120 6.5120 9.5107 9.5107 10.7600 10.7600 11.9189 11.9189 12.3076 12.3076 k = 0.1897 0.0664-0.0743 ( 3109 PWs) bands (ev): -7.5373 -7.5373 -7.4471 -7.4471 -7.3643 -7.3643 -7.3516 -7.3516 -6.7153 -6.7153 -6.6144 -6.6144 -6.5272 -6.5272 -6.5010 -6.5010 -6.4283 -6.4283 -6.3559 -6.3559 -5.9318 -5.9318 -4.1080 -4.1080 2.0026 2.0026 3.4245 3.4245 4.2936 4.2936 4.9971 4.9971 5.1530 5.1530 5.9260 5.9260 6.5401 6.5401 9.3916 9.3916 10.7387 10.7387 11.9096 11.9096 12.3424 12.3424 k = 0.2069 0.0725-0.0811 ( 3109 PWs) bands (ev): -7.5400 -7.5400 -7.4422 -7.4422 -7.3653 -7.3653 -7.3517 -7.3517 -6.7180 -6.7180 -6.6130 -6.6130 -6.5271 -6.5271 -6.4993 -6.4993 -6.4278 -6.4278 -6.3546 -6.3546 -5.9222 -5.9222 -4.1285 -4.1285 1.9306 1.9306 3.4404 3.4404 4.3274 4.3274 4.9969 4.9969 5.2588 5.2588 5.9660 5.9660 6.5687 6.5687 9.2718 9.2718 10.7179 10.7179 11.8984 11.8984 12.3773 12.3773 k = 0.2241 0.0785-0.0879 ( 3108 PWs) bands (ev): -7.5426 -7.5426 -7.4373 -7.4373 -7.3662 -7.3662 -7.3519 -7.3519 -6.7206 -6.7206 -6.6122 -6.6122 -6.5269 -6.5269 -6.4976 -6.4976 -6.4273 -6.4273 -6.3534 -6.3534 -5.9118 -5.9118 -4.1500 -4.1500 1.8625 1.8625 3.4555 3.4555 4.3572 4.3572 4.9829 4.9829 5.3863 5.3863 6.0076 6.0076 6.5974 6.5974 9.1526 9.1526 10.6976 10.6976 11.8857 11.8857 12.4074 12.4074 k = 0.2414 0.0845-0.0946 ( 3103 PWs) bands (ev): -7.5450 -7.5450 -7.4325 -7.4325 -7.3671 -7.3671 -7.3522 -7.3522 -6.7229 -6.7229 -6.6118 -6.6118 -6.5265 -6.5265 -6.4959 -6.4959 -6.4267 -6.4267 -6.3523 -6.3523 -5.9009 -5.9009 -4.1723 -4.1723 1.7983 1.7983 3.4695 3.4695 4.3856 4.3856 4.9654 4.9654 5.5213 5.5213 6.0515 6.0515 6.6262 6.6262 9.0357 9.0357 10.6779 10.6779 11.8710 11.8710 12.4111 12.4111 k = 0.2586 0.0906-0.1014 ( 3101 PWs) bands (ev): -7.5473 -7.5473 -7.4277 -7.4277 -7.3680 -7.3680 -7.3525 -7.3525 -6.7251 -6.7251 -6.6119 -6.6119 -6.5260 -6.5260 -6.4943 -6.4943 -6.4259 -6.4259 -6.3512 -6.3512 -5.8893 -5.8893 -4.1950 -4.1950 1.7383 1.7383 3.4822 3.4822 4.4142 4.4142 4.9471 4.9471 5.6567 5.6567 6.0991 6.0991 6.6546 6.6546 8.9225 8.9225 10.6588 10.6588 11.8529 11.8529 12.3497 12.3497 k = 0.2759 0.0966-0.1081 ( 3101 PWs) bands (ev): -7.5495 -7.5495 -7.4230 -7.4230 -7.3689 -7.3689 -7.3530 -7.3530 -6.7270 -6.7270 -6.6125 -6.6125 -6.5254 -6.5254 -6.4926 -6.4926 -6.4249 -6.4249 -6.3503 -6.3503 -5.8773 -5.8773 -4.2181 -4.2181 1.6823 1.6823 3.4933 3.4933 4.4441 4.4441 4.9292 4.9292 5.7856 5.7856 6.1541 6.1541 6.6827 6.6827 8.8147 8.8147 10.6404 10.6404 11.8278 11.8278 12.2461 12.2461 k = 0.2931 0.1026-0.1149 ( 3107 PWs) bands (ev): -7.5515 -7.5515 -7.4184 -7.4184 -7.3697 -7.3697 -7.3535 -7.3535 -6.7287 -6.7287 -6.6134 -6.6134 -6.5248 -6.5248 -6.4911 -6.4911 -6.4237 -6.4237 -6.3495 -6.3495 -5.8649 -5.8649 -4.2412 -4.2412 1.6306 1.6306 3.5027 3.5027 4.4757 4.4757 4.9122 4.9122 5.8989 5.8989 6.2222 6.2222 6.7103 6.7103 8.7140 8.7140 10.6228 10.6228 11.7870 11.7870 12.1341 12.1341 k = 0.3103 0.1087-0.1216 ( 3101 PWs) bands (ev): -7.5534 -7.5534 -7.4139 -7.4139 -7.3705 -7.3705 -7.3541 -7.3541 -6.7302 -6.7302 -6.6147 -6.6147 -6.5242 -6.5242 -6.4897 -6.4897 -6.4222 -6.4222 -6.3489 -6.3489 -5.8524 -5.8524 -4.2640 -4.2640 1.5831 1.5831 3.5105 3.5105 4.5090 4.5090 4.8966 4.8966 5.9880 5.9880 6.3091 6.3091 6.7377 6.7377 8.6223 8.6223 10.6059 10.6059 11.7147 11.7147 12.0395 12.0395 k = 0.3276 0.1147-0.1284 ( 3105 PWs) bands (ev): -7.5551 -7.5551 -7.4095 -7.4095 -7.3713 -7.3713 -7.3549 -7.3549 -6.7315 -6.7315 -6.6162 -6.6162 -6.5237 -6.5237 -6.4884 -6.4884 -6.4206 -6.4206 -6.3485 -6.3485 -5.8400 -5.8400 -4.2863 -4.2863 1.5397 1.5397 3.5166 3.5166 4.5435 4.5435 4.8827 4.8827 6.0516 6.0516 6.4124 6.4124 6.7656 6.7656 8.5416 8.5416 10.5900 10.5900 11.6001 11.6001 11.9785 11.9785 k = 0.3448 0.1208-0.1352 ( 3103 PWs) bands (ev): -7.5567 -7.5567 -7.4053 -7.4053 -7.3719 -7.3719 -7.3557 -7.3557 -6.7326 -6.7326 -6.6179 -6.6179 -6.5232 -6.5232 -6.4873 -6.4873 -6.4187 -6.4187 -6.3482 -6.3482 -5.8277 -5.8277 -4.3077 -4.3077 1.5006 1.5006 3.5212 3.5212 4.5784 4.5784 4.8711 4.8711 6.0958 6.0958 6.5210 6.5210 6.7958 6.7958 8.4745 8.4745 10.5748 10.5748 11.4539 11.4539 11.9447 11.9447 k = 0.3621 0.1268-0.1419 ( 3102 PWs) bands (ev): -7.5581 -7.5581 -7.4013 -7.4013 -7.3726 -7.3726 -7.3566 -7.3566 -6.7334 -6.7334 -6.6197 -6.6197 -6.5227 -6.5227 -6.4864 -6.4864 -6.4168 -6.4168 -6.3481 -6.3481 -5.8158 -5.8158 -4.3281 -4.3281 1.4656 1.4656 3.5246 3.5246 4.6124 4.6124 4.8625 4.8625 6.1272 6.1272 6.6208 6.6208 6.8323 6.8323 8.4233 8.4233 10.5604 10.5604 11.2925 11.2925 11.9255 11.9255 k = 0.3793 0.1328-0.1487 ( 3104 PWs) bands (ev): -7.5593 -7.5593 -7.3976 -7.3976 -7.3731 -7.3731 -7.3577 -7.3577 -6.7341 -6.7341 -6.6215 -6.6215 -6.5223 -6.5223 -6.4856 -6.4856 -6.4147 -6.4147 -6.3482 -6.3482 -5.8046 -5.8046 -4.3469 -4.3469 1.4348 1.4348 3.5270 3.5270 4.6439 4.6439 4.8576 4.8576 6.1496 6.1496 6.6981 6.6981 6.8813 6.8813 8.3906 8.3906 10.5464 10.5464 11.1268 11.1268 11.9136 11.9136 k = 0.3966 0.1389-0.1554 ( 3105 PWs) bands (ev): -7.5604 -7.5604 -7.3940 -7.3940 -7.3736 -7.3736 -7.3588 -7.3588 -6.7347 -6.7347 -6.6232 -6.6232 -6.5219 -6.5219 -6.4850 -6.4850 -6.4127 -6.4127 -6.3484 -6.3484 -5.7943 -5.7943 -4.3641 -4.3641 1.4081 1.4081 3.5285 3.5285 4.6709 4.6709 4.8573 4.8573 6.1654 6.1654 6.7477 6.7477 6.9426 6.9426 8.3778 8.3778 10.5320 10.5320 10.9648 10.9648 11.9058 11.9058 k = 0.4138 0.1449-0.1622 ( 3110 PWs) bands (ev): -7.5613 -7.5613 -7.3908 -7.3908 -7.3739 -7.3739 -7.3601 -7.3601 -6.7351 -6.7351 -6.6248 -6.6248 -6.5216 -6.5216 -6.4845 -6.4845 -6.4108 -6.4108 -6.3487 -6.3487 -5.7851 -5.7851 -4.3792 -4.3792 1.3856 1.3856 3.5294 3.5294 4.6919 4.6919 4.8622 4.8622 6.1759 6.1759 6.7774 6.7774 7.0047 7.0047 8.3848 8.3848 10.5149 10.5149 10.8143 10.8143 11.9005 11.9005 k = 0.4310 0.1510-0.1689 ( 3107 PWs) bands (ev): -7.5621 -7.5621 -7.3879 -7.3879 -7.3741 -7.3741 -7.3613 -7.3613 -6.7354 -6.7354 -6.6262 -6.6262 -6.5213 -6.5213 -6.4841 -6.4841 -6.4091 -6.4091 -6.3490 -6.3490 -5.7772 -5.7772 -4.3919 -4.3919 1.3672 1.3672 3.5299 3.5299 4.7061 4.7061 4.8715 4.8715 6.1825 6.1825 6.7962 6.7962 7.0575 7.0575 8.4085 8.4085 10.4885 10.4885 10.6877 10.6877 11.8968 11.8968 k = 0.4483 0.1570-0.1757 ( 3108 PWs) bands (ev): -7.5626 -7.5626 -7.3855 -7.3855 -7.3742 -7.3742 -7.3626 -7.3626 -6.7356 -6.7356 -6.6274 -6.6274 -6.5211 -6.5211 -6.4839 -6.4839 -6.4076 -6.4076 -6.3493 -6.3493 -5.7708 -5.7708 -4.4021 -4.4021 1.3529 1.3529 3.5301 3.5301 4.7147 4.7147 4.8830 4.8830 6.1861 6.1861 6.8085 6.8085 7.0969 7.0969 8.4426 8.4426 10.4392 10.4392 10.6053 10.6053 11.8943 11.8943 k = 0.4655 0.1630-0.1825 ( 3116 PWs) bands (ev): -7.5631 -7.5631 -7.3836 -7.3836 -7.3741 -7.3741 -7.3638 -7.3638 -6.7357 -6.7357 -6.6282 -6.6282 -6.5210 -6.5210 -6.4837 -6.4837 -6.4065 -6.4065 -6.3496 -6.3496 -5.7661 -5.7661 -4.4096 -4.4096 1.3428 1.3428 3.5302 3.5302 4.7193 4.7193 4.8937 4.8937 6.1878 6.1878 6.8165 6.8165 7.1233 7.1233 8.4781 8.4781 10.3725 10.3725 10.5691 10.5691 11.8927 11.8927 k = 0.4828 0.1691-0.1892 ( 3114 PWs) bands (ev): -7.5633 -7.5633 -7.3825 -7.3825 -7.3739 -7.3739 -7.3646 -7.3646 -6.7358 -6.7358 -6.6287 -6.6287 -6.5209 -6.5209 -6.4836 -6.4836 -6.4058 -6.4058 -6.3497 -6.3497 -5.7632 -5.7632 -4.4141 -4.4141 1.3366 1.3366 3.5302 3.5302 4.7214 4.7214 4.9012 4.9012 6.1884 6.1884 6.8210 6.8210 7.1381 7.1381 8.5049 8.5049 10.3201 10.3201 10.5554 10.5554 11.8918 11.8918 k = 0.5000 0.1751-0.1960 ( 3116 PWs) bands (ev): -7.5634 -7.5634 -7.3821 -7.3821 -7.3738 -7.3738 -7.3650 -7.3650 -6.7358 -6.7358 -6.6289 -6.6289 -6.5209 -6.5209 -6.4835 -6.4835 -6.4056 -6.4056 -6.3498 -6.3498 -5.7623 -5.7623 -4.4156 -4.4156 1.3346 1.3346 3.5302 3.5302 4.7220 4.7220 4.9039 4.9039 6.1885 6.1885 6.8224 6.8224 7.1429 7.1429 8.5149 8.5149 10.3009 10.3009 10.5517 10.5517 11.8915 11.8915 k = 0.5000 0.1751-0.1960 ( 3116 PWs) bands (ev): -7.5634 -7.5634 -7.3821 -7.3821 -7.3738 -7.3738 -7.3650 -7.3650 -6.7358 -6.7358 -6.6289 -6.6289 -6.5209 -6.5209 -6.4835 -6.4835 -6.4056 -6.4056 -6.3498 -6.3498 -5.7623 -5.7623 -4.4156 -4.4156 1.3346 1.3346 3.5302 3.5302 4.7220 4.7220 4.9039 4.9039 6.1885 6.1885 6.8224 6.8224 7.1429 7.1429 8.5149 8.5149 10.3009 10.3009 10.5517 10.5517 11.8915 11.8915 k = 0.5063 0.1773-0.1779 ( 3116 PWs) bands (ev): -7.5634 -7.5634 -7.3822 -7.3822 -7.3738 -7.3738 -7.3649 -7.3649 -6.7359 -6.7359 -6.6289 -6.6289 -6.5209 -6.5209 -6.4835 -6.4835 -6.4056 -6.4056 -6.3498 -6.3498 -5.7614 -5.7614 -4.4160 -4.4160 1.3319 1.3319 3.5321 3.5321 4.7218 4.7218 4.9018 4.9018 6.1907 6.1907 6.8221 6.8221 7.1405 7.1405 8.5194 8.5194 10.3024 10.3024 10.5531 10.5531 11.8913 11.8913 k = 0.5126 0.1795-0.1599 ( 3114 PWs) bands (ev): -7.5634 -7.5634 -7.3824 -7.3824 -7.3739 -7.3739 -7.3647 -7.3647 -6.7361 -6.7361 -6.6288 -6.6288 -6.5209 -6.5209 -6.4836 -6.4836 -6.4057 -6.4057 -6.3498 -6.3498 -5.7587 -5.7587 -4.4170 -4.4170 1.3238 1.3238 3.5378 3.5378 4.7209 4.7209 4.8960 4.8960 6.1972 6.1972 6.8210 6.8210 7.1333 7.1333 8.5329 8.5329 10.3070 10.3070 10.5572 10.5572 11.8908 11.8908 k = 0.5189 0.1817-0.1419 ( 3111 PWs) bands (ev): -7.5633 -7.5633 -7.3828 -7.3828 -7.3739 -7.3739 -7.3645 -7.3645 -6.7364 -6.7364 -6.6287 -6.6287 -6.5209 -6.5209 -6.4836 -6.4836 -6.4059 -6.4059 -6.3497 -6.3497 -5.7543 -5.7543 -4.4187 -4.4187 1.3105 1.3105 3.5469 3.5469 4.7186 4.7186 4.8878 4.8878 6.2075 6.2075 6.8191 6.8191 7.1215 7.1215 8.5551 8.5551 10.3145 10.3145 10.5641 10.5641 11.8900 11.8900 k = 0.5252 0.1839-0.1238 ( 3110 PWs) bands (ev): -7.5632 -7.5632 -7.3833 -7.3833 -7.3739 -7.3739 -7.3641 -7.3641 -6.7368 -6.7368 -6.6285 -6.6285 -6.5210 -6.5210 -6.4836 -6.4836 -6.4062 -6.4062 -6.3497 -6.3497 -5.7482 -5.7482 -4.4210 -4.4210 1.2925 1.2925 3.5584 3.5584 4.7138 4.7138 4.8797 4.8797 6.2209 6.2209 6.8164 6.8164 7.1055 7.1055 8.5859 8.5859 10.3245 10.3245 10.5737 10.5737 11.8887 11.8887 k = 0.5315 0.1861-0.1058 ( 3110 PWs) bands (ev): -7.5631 -7.5631 -7.3839 -7.3839 -7.3740 -7.3740 -7.3637 -7.3637 -6.7374 -6.7374 -6.6283 -6.6283 -6.5210 -6.5210 -6.4837 -6.4837 -6.4065 -6.4065 -6.3496 -6.3496 -5.7404 -5.7404 -4.4241 -4.4241 1.2703 1.2703 3.5716 3.5716 4.7053 4.7053 4.8741 4.8741 6.2365 6.2365 6.8128 6.8128 7.0858 7.0858 8.6249 8.6249 10.3366 10.3366 10.5859 10.5859 11.8867 11.8867 k = 0.5378 0.1883-0.0878 ( 3112 PWs) bands (ev): -7.5629 -7.5629 -7.3847 -7.3847 -7.3740 -7.3740 -7.3632 -7.3632 -6.7380 -6.7380 -6.6280 -6.6280 -6.5211 -6.5211 -6.4838 -6.4838 -6.4069 -6.4069 -6.3496 -6.3496 -5.7308 -5.7308 -4.4279 -4.4279 1.2443 1.2443 3.5849 3.5849 4.6928 4.6928 4.8731 4.8731 6.2534 6.2534 6.8081 6.8081 7.0629 7.0629 8.6716 8.6716 10.3504 10.3504 10.6008 10.6008 11.8838 11.8838 k = 0.5441 0.1905-0.0697 ( 3108 PWs) bands (ev): -7.5628 -7.5628 -7.3855 -7.3855 -7.3740 -7.3740 -7.3627 -7.3627 -6.7388 -6.7388 -6.6276 -6.6276 -6.5211 -6.5211 -6.4839 -6.4839 -6.4073 -6.4073 -6.3495 -6.3495 -5.7197 -5.7197 -4.4324 -4.4324 1.2151 1.2151 3.5971 3.5971 4.6772 4.6772 4.8777 4.8777 6.2708 6.2708 6.8023 6.8023 7.0377 7.0377 8.7257 8.7257 10.3653 10.3653 10.6181 10.6181 11.8798 11.8798 k = 0.5504 0.1927-0.0517 ( 3110 PWs) bands (ev): -7.5626 -7.5626 -7.3865 -7.3865 -7.3740 -7.3740 -7.3622 -7.3622 -6.7396 -6.7396 -6.6273 -6.6273 -6.5212 -6.5212 -6.4840 -6.4840 -6.4078 -6.4078 -6.3494 -6.3494 -5.7069 -5.7069 -4.4377 -4.4377 1.1835 1.1835 3.6062 3.6062 4.6610 4.6610 4.8874 4.8874 6.2875 6.2875 6.7950 6.7950 7.0109 7.0109 8.7868 8.7868 10.3806 10.3806 10.6376 10.6376 11.8742 11.8742 k = 0.5567 0.1950-0.0337 ( 3106 PWs) bands (ev): -7.5623 -7.5623 -7.3875 -7.3875 -7.3740 -7.3740 -7.3617 -7.3617 -6.7404 -6.7404 -6.6269 -6.6269 -6.5213 -6.5213 -6.4841 -6.4841 -6.4084 -6.4084 -6.3493 -6.3493 -5.6925 -5.6925 -4.4438 -4.4438 1.1501 1.1501 3.6108 3.6108 4.6467 4.6467 4.9017 4.9017 6.3027 6.3027 6.7861 6.7861 6.9835 6.9835 8.8542 8.8542 10.3957 10.3957 10.6590 10.6590 11.8667 11.8667 k = 0.5630 0.1972-0.0156 ( 3108 PWs) bands (ev): -7.5621 -7.5621 -7.3886 -7.3886 -7.3739 -7.3739 -7.3611 -7.3611 -6.7413 -6.7413 -6.6264 -6.6264 -6.5214 -6.5214 -6.4842 -6.4842 -6.4089 -6.4089 -6.3493 -6.3493 -5.6767 -5.6767 -4.4507 -4.4507 1.1154 1.1154 3.6090 3.6090 4.6367 4.6367 4.9197 4.9197 6.3154 6.3154 6.7754 6.7754 6.9567 6.9567 8.9275 8.9275 10.4098 10.4098 10.6818 10.6818 11.8567 11.8567 k = 0.5693 0.1994 0.0024 ( 3108 PWs) bands (ev): -7.5618 -7.5618 -7.3898 -7.3898 -7.3739 -7.3739 -7.3606 -7.3606 -6.7422 -6.7422 -6.6259 -6.6259 -6.5214 -6.5214 -6.4844 -6.4844 -6.4096 -6.4096 -6.3492 -6.3492 -5.6594 -5.6594 -4.4584 -4.4584 1.0802 1.0802 3.5998 3.5998 4.6329 4.6329 4.9410 4.9410 6.3246 6.3246 6.7631 6.7631 6.9313 6.9313 9.0062 9.0062 10.4222 10.4222 10.7054 10.7054 11.8438 11.8438 k = 0.5756 0.2016 0.0204 ( 3111 PWs) bands (ev): -7.5615 -7.5615 -7.3911 -7.3911 -7.3738 -7.3738 -7.3600 -7.3600 -6.7432 -6.7432 -6.6254 -6.6254 -6.5215 -6.5215 -6.4846 -6.4846 -6.4102 -6.4102 -6.3491 -6.3491 -5.6407 -5.6407 -4.4670 -4.4670 1.0448 1.0448 3.5823 3.5823 4.6363 4.6363 4.9651 4.9651 6.3293 6.3293 6.7493 6.7493 6.9084 6.9084 9.0899 9.0899 10.4323 10.4323 10.7291 10.7291 11.8275 11.8275 k = 0.5819 0.2038 0.0385 ( 3111 PWs) bands (ev): -7.5612 -7.5612 -7.3924 -7.3924 -7.3737 -7.3737 -7.3595 -7.3595 -6.7441 -6.7441 -6.6249 -6.6249 -6.5216 -6.5216 -6.4848 -6.4848 -6.4109 -6.4109 -6.3490 -6.3490 -5.6207 -5.6207 -4.4765 -4.4765 1.0099 1.0099 3.5565 3.5565 4.6473 4.6473 4.9918 4.9918 6.3286 6.3286 6.7350 6.7350 6.8881 6.8881 9.1779 9.1779 10.4392 10.4392 10.7521 10.7521 11.8078 11.8078 k = 0.5882 0.2060 0.0565 ( 3114 PWs) bands (ev): -7.5609 -7.5609 -7.3938 -7.3938 -7.3736 -7.3736 -7.3590 -7.3590 -6.7451 -6.7451 -6.6243 -6.6243 -6.5217 -6.5217 -6.4850 -6.4850 -6.4116 -6.4116 -6.3490 -6.3490 -5.5995 -5.5995 -4.4869 -4.4869 0.9759 0.9759 3.5228 3.5228 4.6653 4.6653 5.0207 5.0207 6.3220 6.3220 6.7209 6.7209 6.8707 6.8707 9.2698 9.2698 10.4423 10.4423 10.7735 10.7735 11.7849 11.7849 k = 0.5944 0.2082 0.0745 ( 3104 PWs) bands (ev): -7.5605 -7.5605 -7.3952 -7.3952 -7.3735 -7.3735 -7.3584 -7.3584 -6.7460 -6.7460 -6.6238 -6.6238 -6.5218 -6.5218 -6.4853 -6.4853 -6.4123 -6.4123 -6.3489 -6.3489 -5.5771 -5.5771 -4.4982 -4.4982 0.9432 0.9432 3.4822 3.4822 4.6893 4.6893 5.0515 5.0515 6.3093 6.3093 6.7079 6.7079 6.8560 6.8560 9.3651 9.3651 10.4408 10.4408 10.7922 10.7922 11.7597 11.7597 k = 0.6007 0.2104 0.0926 ( 3102 PWs) bands (ev): -7.5601 -7.5601 -7.3966 -7.3966 -7.3734 -7.3734 -7.3579 -7.3579 -6.7469 -6.7469 -6.6232 -6.6232 -6.5219 -6.5219 -6.4856 -6.4856 -6.4130 -6.4130 -6.3489 -6.3489 -5.5537 -5.5537 -4.5104 -4.5104 0.9124 0.9124 3.4358 3.4358 4.7180 4.7180 5.0842 5.0842 6.2913 6.2913 6.6961 6.6961 6.8436 6.8436 9.4631 9.4631 10.4343 10.4343 10.8071 10.8071 11.7336 11.7336 k = 0.6070 0.2126 0.1106 ( 3105 PWs) bands (ev): -7.5597 -7.5597 -7.3981 -7.3981 -7.3733 -7.3733 -7.3575 -7.3575 -6.7477 -6.7477 -6.6225 -6.6225 -6.5220 -6.5220 -6.4859 -6.4859 -6.4138 -6.4138 -6.3489 -6.3489 -5.5294 -5.5294 -4.5235 -4.5235 0.8836 0.8836 3.3848 3.3848 4.7497 4.7497 5.1183 5.1183 6.2693 6.2693 6.6852 6.6852 6.8335 6.8335 9.5634 9.5634 10.4223 10.4223 10.8168 10.8168 11.7088 11.7088 k = 0.6133 0.2148 0.1287 ( 3109 PWs) bands (ev): -7.5593 -7.5593 -7.3996 -7.3996 -7.3731 -7.3731 -7.3570 -7.3570 -6.7485 -6.7485 -6.6219 -6.6219 -6.5222 -6.5222 -6.4862 -6.4862 -6.4145 -6.4145 -6.3489 -6.3489 -5.5042 -5.5042 -4.5374 -4.5374 0.8573 0.8573 3.3303 3.3303 4.7828 4.7828 5.1538 5.1538 6.2452 6.2452 6.6743 6.6743 6.8256 6.8256 9.6650 9.6650 10.4046 10.4046 10.8202 10.8202 11.6875 11.6875 k = 0.6196 0.2170 0.1467 ( 3107 PWs) bands (ev): -7.5588 -7.5588 -7.4012 -7.4012 -7.3730 -7.3730 -7.3565 -7.3565 -6.7492 -6.7492 -6.6213 -6.6213 -6.5223 -6.5223 -6.4866 -6.4866 -6.4152 -6.4152 -6.3489 -6.3489 -5.4784 -5.4784 -4.5521 -4.5521 0.8337 0.8337 3.2734 3.2734 4.8155 4.8155 5.1903 5.1903 6.2210 6.2210 6.6624 6.6624 6.8198 6.8198 9.7671 9.7671 10.3817 10.3817 10.8161 10.8161 11.6723 11.6723 k = 0.6259 0.2192 0.1647 ( 3103 PWs) bands (ev): -7.5583 -7.5583 -7.4028 -7.4028 -7.3728 -7.3728 -7.3561 -7.3561 -6.7498 -6.7498 -6.6206 -6.6206 -6.5224 -6.5224 -6.4870 -6.4870 -6.4160 -6.4160 -6.3489 -6.3489 -5.4520 -5.4520 -4.5674 -4.5674 0.8132 0.8132 3.2148 3.2148 4.8459 4.8459 5.2277 5.2277 6.1991 6.1991 6.6488 6.6488 6.8160 6.8160 9.8680 9.8680 10.3546 10.3546 10.8039 10.8039 11.6650 11.6650 k = 0.6322 0.2214 0.1828 ( 3101 PWs) bands (ev): -7.5578 -7.5578 -7.4044 -7.4044 -7.3727 -7.3727 -7.3557 -7.3557 -6.7504 -6.7504 -6.6199 -6.6199 -6.5226 -6.5226 -6.4874 -6.4874 -6.4167 -6.4167 -6.3489 -6.3489 -5.4253 -5.4253 -4.5834 -4.5834 0.7958 0.7958 3.1553 3.1553 4.8722 4.8722 5.2659 5.2659 6.1816 6.1816 6.6328 6.6328 6.8137 6.8137 9.9639 9.9639 10.3265 10.3265 10.7837 10.7837 11.6668 11.6668 k = 0.6385 0.2236 0.2008 ( 3104 PWs) bands (ev): -7.5573 -7.5573 -7.4060 -7.4060 -7.3725 -7.3725 -7.3553 -7.3553 -6.7509 -6.7509 -6.6193 -6.6193 -6.5227 -6.5227 -6.4878 -6.4878 -6.4174 -6.4174 -6.3490 -6.3490 -5.3985 -5.3985 -4.5998 -4.5998 0.7819 0.7819 3.0956 3.0956 4.8924 4.8924 5.3049 5.3049 6.1707 6.1707 6.6144 6.6144 6.8125 6.8125 10.0452 10.0452 10.3065 10.3065 10.7567 10.7567 11.6777 11.6777 k = 0.6448 0.2258 0.2188 ( 3109 PWs) bands (ev): -7.5568 -7.5568 -7.4076 -7.4076 -7.3723 -7.3723 -7.3549 -7.3549 -6.7513 -6.7513 -6.6186 -6.6186 -6.5229 -6.5229 -6.4882 -6.4882 -6.4181 -6.4181 -6.3490 -6.3490 -5.3719 -5.3719 -4.6164 -4.6164 0.7716 0.7716 3.0361 3.0361 4.9049 4.9049 5.3448 5.3448 6.1680 6.1680 6.5936 6.5936 6.8117 6.8117 10.0885 10.0885 10.3171 10.3171 10.7252 10.7252 11.6958 11.6958 k = 0.6511 0.2280 0.2369 ( 3112 PWs) bands (ev): -7.5563 -7.5563 -7.4093 -7.4093 -7.3721 -7.3721 -7.3546 -7.3546 -6.7516 -6.7516 -6.6180 -6.6180 -6.5231 -6.5231 -6.4887 -6.4887 -6.4188 -6.4188 -6.3491 -6.3491 -5.3458 -5.3458 -4.6330 -4.6330 0.7650 0.7650 2.9775 2.9775 4.9082 4.9082 5.3857 5.3857 6.1746 6.1746 6.5704 6.5704 6.8109 6.8109 10.0782 10.0782 10.3710 10.3710 10.6936 10.6936 11.7132 11.7132 k = 0.6574 0.2302 0.2549 ( 3114 PWs) bands (ev): -7.5557 -7.5557 -7.4110 -7.4110 -7.3719 -7.3719 -7.3543 -7.3543 -6.7519 -6.7519 -6.6173 -6.6173 -6.5233 -6.5233 -6.4892 -6.4892 -6.4194 -6.4194 -6.3492 -6.3492 -5.3205 -5.3205 -4.6491 -4.6491 0.7622 0.7622 2.9199 2.9199 4.9017 4.9017 5.4278 5.4278 6.1912 6.1912 6.5451 6.5451 6.8094 6.8094 10.0360 10.0360 10.4380 10.4380 10.6725 10.6725 11.6946 11.6946 k = 0.6637 0.2324 0.2729 ( 3119 PWs) bands (ev): -7.5551 -7.5551 -7.4127 -7.4127 -7.3717 -7.3717 -7.3540 -7.3540 -6.7520 -6.7520 -6.6166 -6.6166 -6.5236 -6.5236 -6.4897 -6.4897 -6.4201 -6.4201 -6.3493 -6.3493 -5.2966 -5.2966 -4.6644 -4.6644 0.7634 0.7634 2.8639 2.8639 4.8853 4.8853 5.4711 5.4711 6.2175 6.2175 6.5180 6.5180 6.8069 6.8069 9.9796 9.9796 10.4771 10.4771 10.6868 10.6868 11.6271 11.6271 k = 0.6700 0.2346 0.2910 ( 3126 PWs) bands (ev): -7.5546 -7.5546 -7.4144 -7.4144 -7.3715 -7.3715 -7.3537 -7.3537 -6.7521 -6.7521 -6.6160 -6.6160 -6.5238 -6.5238 -6.4902 -6.4902 -6.4207 -6.4207 -6.3494 -6.3494 -5.2746 -5.2746 -4.6783 -4.6783 0.7685 0.7685 2.8096 2.8096 4.8597 4.8597 5.5155 5.5155 6.2525 6.2525 6.4898 6.4898 6.8029 6.8029 9.9155 9.9155 10.4694 10.4694 10.7503 10.7503 11.5485 11.5485 k = 0.6763 0.2368 0.3090 ( 3124 PWs) bands (ev): -7.5539 -7.5539 -7.4161 -7.4161 -7.3712 -7.3712 -7.3534 -7.3534 -6.7520 -6.7520 -6.6154 -6.6154 -6.5241 -6.5241 -6.4907 -6.4907 -6.4213 -6.4213 -6.3496 -6.3496 -5.2553 -5.2553 -4.6902 -4.6902 0.7777 0.7777 2.7573 2.7573 4.8258 4.8258 5.5607 5.5607 6.2939 6.2939 6.4616 6.4616 6.7972 6.7972 9.8463 9.8463 10.4378 10.4378 10.8389 10.8389 11.4698 11.4698 k = 0.6826 0.2391 0.3270 ( 3124 PWs) bands (ev): -7.5533 -7.5533 -7.4178 -7.4178 -7.3710 -7.3710 -7.3532 -7.3532 -6.7519 -6.7519 -6.6147 -6.6147 -6.5244 -6.5244 -6.4912 -6.4912 -6.4218 -6.4218 -6.3497 -6.3497 -5.2392 -5.2392 -4.6993 -4.6993 0.7910 0.7910 2.7073 2.7073 4.7850 4.7850 5.6066 5.6066 6.3357 6.3357 6.4387 6.4387 6.7895 6.7895 9.7736 9.7736 10.3989 10.3989 10.9348 10.9348 11.3940 11.3940 k = 0.6826 0.2391 0.3270 ( 3124 PWs) bands (ev): -7.5533 -7.5533 -7.4178 -7.4178 -7.3710 -7.3710 -7.3532 -7.3532 -6.7519 -6.7519 -6.6147 -6.6147 -6.5244 -6.5244 -6.4912 -6.4912 -6.4218 -6.4218 -6.3497 -6.3497 -5.2392 -5.2392 -4.6993 -4.6993 0.7910 0.7910 2.7073 2.7073 4.7850 4.7850 5.6066 5.6066 6.3357 6.3357 6.4387 6.4387 6.7895 6.7895 9.7736 9.7736 10.3989 10.3989 10.9348 10.9348 11.3940 11.3940 k = 0.6696 0.2345 0.3410 ( 3128 PWs) bands (ev): -7.5542 -7.5542 -7.4147 -7.4147 -7.3717 -7.3717 -7.3542 -7.3542 -6.7536 -6.7536 -6.6167 -6.6167 -6.5238 -6.5238 -6.4900 -6.4900 -6.4211 -6.4211 -6.3503 -6.3503 -5.2447 -5.2447 -4.6856 -4.6856 0.7977 0.7977 2.6563 2.6563 4.7783 4.7783 5.6293 5.6293 6.3372 6.3372 6.4355 6.4355 6.7889 6.7889 9.8069 9.8069 10.3949 10.3949 10.9582 10.9582 11.3877 11.3877 k = 0.6565 0.2299 0.3550 ( 3132 PWs) bands (ev): -7.5550 -7.5550 -7.4117 -7.4117 -7.3723 -7.3723 -7.3554 -7.3554 -6.7552 -6.7552 -6.6187 -6.6187 -6.5232 -6.5232 -6.4888 -6.4888 -6.4204 -6.4204 -6.3508 -6.3508 -5.2513 -5.2513 -4.6709 -4.6709 0.8079 0.8079 2.5994 2.5994 4.7817 4.7817 5.6531 5.6531 6.3253 6.3253 6.4337 6.4337 6.7915 6.7915 9.8322 9.8322 10.3934 10.3934 10.9597 10.9597 11.3806 11.3806 k = 0.6435 0.2254 0.3690 ( 3130 PWs) bands (ev): -7.5557 -7.5557 -7.4087 -7.4087 -7.3729 -7.3729 -7.3567 -7.3567 -6.7566 -6.7566 -6.6207 -6.6207 -6.5226 -6.5226 -6.4877 -6.4877 -6.4195 -6.4195 -6.3515 -6.3515 -5.2586 -5.2586 -4.6557 -4.6557 0.8215 0.8215 2.5380 2.5380 4.7938 4.7938 5.6779 5.6779 6.3049 6.3049 6.4274 6.4274 6.7990 6.7990 9.8495 9.8495 10.3956 10.3956 10.9424 10.9424 11.3727 11.3727 k = 0.6304 0.2208 0.3830 ( 3134 PWs) bands (ev): -7.5563 -7.5563 -7.4058 -7.4058 -7.3734 -7.3734 -7.3581 -7.3581 -6.7579 -6.7579 -6.6226 -6.6226 -6.5220 -6.5220 -6.4867 -6.4867 -6.4187 -6.4187 -6.3522 -6.3522 -5.2663 -5.2663 -4.6404 -4.6404 0.8382 0.8382 2.4734 2.4734 4.8135 4.8135 5.7036 5.7036 6.2793 6.2793 6.4141 6.4141 6.8114 6.8114 9.8591 9.8591 10.4013 10.4013 10.9127 10.9127 11.3645 11.3645 k = 0.6174 0.2162 0.3970 ( 3134 PWs) bands (ev): -7.5568 -7.5568 -7.4030 -7.4030 -7.3739 -7.3739 -7.3595 -7.3595 -6.7591 -6.7591 -6.6245 -6.6245 -6.5214 -6.5214 -6.4858 -6.4858 -6.4178 -6.4178 -6.3529 -6.3529 -5.2739 -5.2739 -4.6255 -4.6255 0.8576 0.8576 2.4071 2.4071 4.8393 4.8393 5.7300 5.7300 6.2503 6.2503 6.3940 6.3940 6.8280 6.8280 9.8623 9.8623 10.4094 10.4094 10.8766 10.8766 11.3566 11.3566 k = 0.6043 0.2116 0.4110 ( 3135 PWs) bands (ev): -7.5573 -7.5573 -7.4002 -7.4002 -7.3744 -7.3744 -7.3611 -7.3611 -6.7601 -6.7601 -6.6262 -6.6262 -6.5209 -6.5209 -6.4851 -6.4851 -6.4169 -6.4169 -6.3536 -6.3536 -5.2813 -5.2813 -4.6113 -4.6113 0.8793 0.8793 2.3408 2.3408 4.8697 4.8697 5.7569 5.7569 6.2188 6.2188 6.3685 6.3685 6.8471 6.8471 9.8604 9.8604 10.4186 10.4186 10.8389 10.8389 11.3494 11.3494 k = 0.5913 0.2071 0.4250 ( 3135 PWs) bands (ev): -7.5577 -7.5577 -7.3975 -7.3975 -7.3748 -7.3748 -7.3628 -7.3628 -6.7610 -6.7610 -6.6278 -6.6278 -6.5204 -6.5204 -6.4844 -6.4844 -6.4160 -6.4160 -6.3544 -6.3544 -5.2882 -5.2882 -4.5982 -4.5982 0.9026 0.9026 2.2759 2.2759 4.9032 4.9032 5.7842 5.7842 6.1855 6.1855 6.3397 6.3397 6.8673 6.8673 9.8550 9.8550 10.4277 10.4277 10.8028 10.8028 11.3432 11.3432 k = 0.5783 0.2025 0.4390 ( 3134 PWs) bands (ev): -7.5580 -7.5580 -7.3949 -7.3949 -7.3752 -7.3752 -7.3645 -7.3645 -6.7618 -6.7618 -6.6292 -6.6292 -6.5200 -6.5200 -6.4839 -6.4839 -6.4152 -6.4152 -6.3550 -6.3550 -5.2944 -5.2944 -4.5863 -4.5863 0.9268 0.9268 2.2141 2.2141 4.9382 4.9382 5.8113 5.8113 6.1516 6.1516 6.3093 6.3093 6.8872 6.8872 9.8474 9.8474 10.4356 10.4356 10.7705 10.7705 11.3379 11.3379 k = 0.5652 0.1979 0.4530 ( 3137 PWs) bands (ev): -7.5583 -7.5583 -7.3924 -7.3924 -7.3755 -7.3755 -7.3662 -7.3662 -6.7624 -6.7624 -6.6304 -6.6304 -6.5196 -6.5196 -6.4834 -6.4834 -6.4145 -6.4145 -6.3557 -6.3557 -5.2999 -5.2999 -4.5759 -4.5759 0.9508 0.9508 2.1572 2.1572 4.9729 4.9729 5.8380 5.8380 6.1181 6.1181 6.2789 6.2789 6.9057 6.9057 9.8387 9.8387 10.4418 10.4418 10.7431 10.7431 11.3336 11.3336 k = 0.5522 0.1934 0.4670 ( 3134 PWs) bands (ev): -7.5585 -7.5585 -7.3900 -7.3900 -7.3757 -7.3757 -7.3680 -7.3680 -6.7629 -6.7629 -6.6314 -6.6314 -6.5192 -6.5192 -6.4831 -6.4831 -6.4138 -6.4138 -6.3562 -6.3562 -5.3045 -5.3045 -4.5672 -4.5672 0.9735 0.9735 2.1068 2.1068 5.0053 5.0053 5.8633 5.8633 6.0868 6.0868 6.2499 6.2499 6.9219 6.9219 9.8301 9.8301 10.4462 10.4462 10.7213 10.7213 11.3302 11.3302 k = 0.5391 0.1888 0.4810 ( 3136 PWs) bands (ev): -7.5587 -7.5587 -7.3878 -7.3878 -7.3758 -7.3758 -7.3698 -7.3698 -6.7633 -6.7633 -6.6322 -6.6322 -6.5190 -6.5190 -6.4828 -6.4828 -6.4133 -6.4133 -6.3566 -6.3566 -5.3082 -5.3082 -4.5603 -4.5603 0.9935 0.9935 2.0648 2.0648 5.0337 5.0337 5.8863 5.8863 6.0595 6.0595 6.2237 6.2237 6.9352 6.9352 9.8224 9.8224 10.4489 10.4489 10.7049 10.7049 11.3277 11.3277 k = 0.5261 0.1842 0.4950 ( 3136 PWs) bands (ev): -7.5588 -7.5588 -7.3860 -7.3860 -7.3758 -7.3758 -7.3714 -7.3714 -6.7636 -6.7636 -6.6328 -6.6328 -6.5188 -6.5188 -6.4826 -6.4826 -6.4130 -6.4130 -6.3570 -6.3570 -5.3109 -5.3109 -4.5553 -4.5553 1.0092 1.0092 2.0332 2.0332 5.0558 5.0558 5.9053 5.9053 6.0382 6.0382 6.2023 6.2023 6.9451 6.9451 9.8163 9.8163 10.4503 10.4503 10.6936 10.6936 11.3259 11.3259 k = 0.5130 0.1797 0.5090 ( 3134 PWs) bands (ev): -7.5589 -7.5589 -7.3846 -7.3846 -7.3758 -7.3758 -7.3727 -7.3727 -6.7638 -6.7638 -6.6331 -6.6331 -6.5186 -6.5186 -6.4825 -6.4825 -6.4127 -6.4127 -6.3572 -6.3572 -5.3125 -5.3125 -4.5523 -4.5523 1.0193 1.0193 2.0134 2.0134 5.0699 5.0699 5.9181 5.9181 6.0246 6.0246 6.1879 6.1879 6.9512 6.9512 9.8124 9.8124 10.4510 10.4510 10.6872 10.6872 11.3249 11.3249 k = 0.5000 0.1751 0.5230 ( 3134 PWs) bands (ev): -7.5589 -7.5589 -7.3841 -7.3841 -7.3756 -7.3756 -7.3733 -7.3733 -6.7639 -6.7639 -6.6332 -6.6332 -6.5186 -6.5186 -6.4824 -6.4824 -6.4126 -6.4126 -6.3572 -6.3572 -5.3130 -5.3130 -4.5513 -4.5513 1.0228 1.0228 2.0067 2.0067 5.0748 5.0748 5.9226 5.9226 6.0199 6.0199 6.1828 6.1828 6.9532 6.9532 9.8111 9.8111 10.4512 10.4512 10.6850 10.6850 11.3246 11.3246 k = 0.5000 0.1751 0.5230 ( 3134 PWs) bands (ev): -7.5589 -7.5589 -7.3841 -7.3841 -7.3756 -7.3756 -7.3733 -7.3733 -6.7639 -6.7639 -6.6332 -6.6332 -6.5186 -6.5186 -6.4824 -6.4824 -6.4126 -6.4126 -6.3572 -6.3572 -5.3130 -5.3130 -4.5513 -4.5513 1.0228 1.0228 2.0067 2.0067 5.0748 5.0748 5.9226 5.9226 6.0199 6.0199 6.1828 6.1828 6.9532 6.9532 9.8111 9.8111 10.4512 10.4512 10.6850 10.6850 11.3246 11.3246 k = 0.5065 0.1566 0.5230 ( 3136 PWs) bands (ev): -7.5589 -7.5589 -7.3842 -7.3842 -7.3764 -7.3764 -7.3725 -7.3725 -6.7640 -6.7640 -6.6332 -6.6332 -6.5187 -6.5187 -6.4824 -6.4824 -6.4130 -6.4130 -6.3571 -6.3571 -5.3119 -5.3119 -4.5508 -4.5508 1.0241 1.0241 2.0075 2.0075 5.0674 5.0674 5.9202 5.9202 6.0066 6.0066 6.1861 6.1861 6.9629 6.9629 9.8102 9.8102 10.4468 10.4468 10.6847 10.6847 11.3288 11.3288 k = 0.5129 0.1381 0.5230 ( 3130 PWs) bands (ev): -7.5589 -7.5589 -7.3846 -7.3846 -7.3778 -7.3778 -7.3712 -7.3712 -6.7643 -6.7643 -6.6331 -6.6331 -6.5189 -6.5189 -6.4824 -6.4824 -6.4140 -6.4140 -6.3567 -6.3567 -5.3084 -5.3084 -4.5493 -4.5493 1.0282 1.0282 2.0101 2.0101 5.0456 5.0456 5.9015 5.9015 5.9818 5.9818 6.1940 6.1940 6.9895 6.9895 9.8066 9.8066 10.4355 10.4355 10.6836 10.6836 11.3415 11.3415 k = 0.5194 0.1197 0.5230 ( 3132 PWs) bands (ev): -7.5590 -7.5590 -7.3854 -7.3854 -7.3790 -7.3790 -7.3698 -7.3698 -6.7648 -6.7648 -6.6328 -6.6328 -6.5192 -6.5192 -6.4825 -6.4825 -6.4155 -6.4155 -6.3560 -6.3560 -5.3026 -5.3026 -4.5468 -4.5468 1.0350 1.0350 2.0144 2.0144 5.0107 5.0107 5.8442 5.8442 5.9748 5.9748 6.2039 6.2039 7.0275 7.0275 9.7981 9.7981 10.4214 10.4214 10.6815 10.6815 11.3629 11.3629 k = 0.5259 0.1012 0.5230 ( 3126 PWs) bands (ev): -7.5590 -7.5590 -7.3865 -7.3865 -7.3801 -7.3801 -7.3685 -7.3685 -6.7656 -6.7656 -6.6325 -6.6325 -6.5197 -6.5197 -6.4825 -6.4825 -6.4176 -6.4176 -6.3551 -6.3551 -5.2945 -5.2945 -4.5433 -4.5433 1.0445 1.0445 2.0203 2.0203 4.9644 4.9644 5.7579 5.7579 5.9815 5.9815 6.2150 6.2150 7.0705 7.0705 9.7811 9.7811 10.4105 10.4105 10.6786 10.6786 11.3933 11.3933 k = 0.5324 0.0827 0.5230 ( 3130 PWs) bands (ev): -7.5590 -7.5590 -7.3881 -7.3881 -7.3808 -7.3808 -7.3673 -7.3673 -6.7665 -6.7665 -6.6321 -6.6321 -6.5204 -6.5204 -6.4826 -6.4826 -6.4201 -6.4201 -6.3540 -6.3540 -5.2843 -5.2843 -4.5389 -4.5389 1.0566 1.0566 2.0279 2.0279 4.9088 4.9088 5.6557 5.6557 5.9925 5.9925 6.2270 6.2270 7.1130 7.1130 9.7520 9.7520 10.4083 10.4083 10.6754 10.6754 11.4329 11.4329 k = 0.5388 0.0642 0.5230 ( 3132 PWs) bands (ev): -7.5591 -7.5591 -7.3901 -7.3901 -7.3814 -7.3814 -7.3662 -7.3662 -6.7676 -6.7676 -6.6317 -6.6317 -6.5211 -6.5211 -6.4828 -6.4828 -6.4229 -6.4229 -6.3529 -6.3529 -5.2719 -5.2719 -4.5335 -4.5335 1.0715 1.0715 2.0370 2.0370 4.8456 4.8456 5.5435 5.5435 6.0046 6.0046 6.2395 6.2395 7.1510 7.1510 9.7089 9.7089 10.4185 10.4185 10.6734 10.6734 11.4819 11.4819 k = 0.5453 0.0457 0.5230 ( 3132 PWs) bands (ev): -7.5591 -7.5591 -7.3922 -7.3922 -7.3819 -7.3819 -7.3652 -7.3652 -6.7688 -6.7688 -6.6312 -6.6312 -6.5221 -6.5221 -6.4831 -6.4831 -6.4258 -6.4258 -6.3516 -6.3516 -5.2576 -5.2576 -4.5273 -4.5273 1.0891 1.0891 2.0476 2.0476 4.7764 4.7764 5.4245 5.4245 6.0164 6.0164 6.2521 6.2521 7.1815 7.1815 9.6521 9.6521 10.4417 10.4417 10.6741 10.6741 11.5403 11.5403 k = 0.5518 0.0273 0.5230 ( 3136 PWs) bands (ev): -7.5592 -7.5592 -7.3946 -7.3946 -7.3824 -7.3824 -7.3643 -7.3643 -6.7701 -6.7701 -6.6306 -6.6306 -6.5231 -6.5231 -6.4836 -6.4836 -6.4287 -6.4287 -6.3503 -6.3503 -5.2413 -5.2413 -4.5202 -4.5202 1.1093 1.1093 2.0596 2.0596 4.7028 4.7028 5.3011 5.3011 6.0276 6.0276 6.2641 6.2641 7.2025 7.2025 9.5838 9.5838 10.4754 10.4754 10.6798 10.6798 11.6082 11.6082 k = 0.5582 0.0088 0.5230 ( 3136 PWs) bands (ev): -7.5592 -7.5592 -7.3971 -7.3971 -7.3828 -7.3828 -7.3634 -7.3634 -6.7715 -6.7715 -6.6301 -6.6301 -6.5243 -6.5243 -6.4843 -6.4843 -6.4316 -6.4316 -6.3490 -6.3490 -5.2232 -5.2232 -4.5124 -4.5124 1.1323 1.1323 2.0729 2.0729 4.6260 4.6260 5.1747 5.1747 6.0376 6.0376 6.2750 6.2750 7.2127 7.2127 9.5070 9.5070 10.5146 10.5146 10.6938 10.6938 11.6855 11.6855 k = 0.5647-0.0097 0.5230 ( 3142 PWs) bands (ev): -7.5593 -7.5593 -7.3998 -7.3998 -7.3833 -7.3833 -7.3627 -7.3627 -6.7730 -6.7730 -6.6295 -6.6295 -6.5257 -6.5257 -6.4851 -6.4851 -6.4343 -6.4343 -6.3476 -6.3476 -5.2035 -5.2035 -4.5038 -4.5038 1.1578 1.1578 2.0874 2.0874 4.5471 4.5471 5.0466 5.0466 6.0465 6.0465 6.2839 6.2839 7.2115 7.2115 9.4248 9.4248 10.5531 10.5531 10.7206 10.7206 11.7718 11.7718 k = 0.5712-0.0282 0.5230 ( 3136 PWs) bands (ev): -7.5594 -7.5594 -7.4025 -7.4025 -7.3837 -7.3837 -7.3621 -7.3621 -6.7744 -6.7744 -6.6288 -6.6288 -6.5273 -6.5273 -6.4862 -6.4862 -6.4367 -6.4367 -6.3462 -6.3462 -5.1822 -5.1822 -4.4945 -4.4945 1.1860 1.1860 2.1029 2.1029 4.4671 4.4671 4.9177 4.9177 6.0541 6.0541 6.2905 6.2905 7.1990 7.1990 9.3397 9.3397 10.5853 10.5853 10.7632 10.7632 11.8667 11.8667 k = 0.5777-0.0467 0.5230 ( 3136 PWs) bands (ev): -7.5594 -7.5594 -7.4054 -7.4054 -7.3842 -7.3842 -7.3616 -7.3616 -6.7759 -6.7759 -6.6282 -6.6282 -6.5291 -6.5291 -6.4875 -6.4875 -6.4387 -6.4387 -6.3449 -6.3449 -5.1595 -5.1595 -4.4847 -4.4847 1.2168 1.2168 2.1191 2.1191 4.3869 4.3869 4.7888 4.7888 6.0602 6.0602 6.2941 6.2941 7.1753 7.1753 9.2539 9.2539 10.6109 10.6109 10.8199 10.8199 11.9695 11.9695 k = 0.5841-0.0651 0.5230 ( 3134 PWs) bands (ev): -7.5594 -7.5594 -7.4083 -7.4083 -7.3848 -7.3848 -7.3612 -7.3612 -6.7774 -6.7774 -6.6276 -6.6276 -6.5312 -6.5312 -6.4890 -6.4890 -6.4404 -6.4404 -6.3435 -6.3435 -5.1356 -5.1356 -4.4743 -4.4743 1.2501 1.2501 2.1360 2.1360 4.3073 4.3073 4.6606 4.6606 6.0647 6.0647 6.2944 6.2944 7.1413 7.1413 9.1693 9.1693 10.6328 10.6328 10.8855 10.8855 12.0790 12.0790 k = 0.5906-0.0836 0.5230 ( 3134 PWs) bands (ev): -7.5594 -7.5594 -7.4113 -7.4113 -7.3854 -7.3854 -7.3608 -7.3608 -6.7788 -6.7788 -6.6270 -6.6270 -6.5334 -6.5334 -6.4906 -6.4906 -6.4418 -6.4418 -6.3421 -6.3421 -5.1105 -5.1105 -4.4635 -4.4635 1.2860 1.2860 2.1533 2.1533 4.2291 4.2291 4.5336 4.5336 6.0671 6.0671 6.2913 6.2913 7.0978 7.0978 9.0872 9.0872 10.6536 10.6536 10.9550 10.9550 12.1941 12.1941 k = 0.5971-0.1021 0.5230 ( 3128 PWs) bands (ev): -7.5594 -7.5594 -7.4144 -7.4144 -7.3860 -7.3860 -7.3605 -7.3605 -6.7801 -6.7801 -6.6264 -6.6264 -6.5360 -6.5360 -6.4922 -6.4922 -6.4427 -6.4427 -6.3407 -6.3407 -5.0844 -5.0844 -4.4524 -4.4524 1.3244 1.3244 2.1707 2.1707 4.1529 4.1529 4.4083 4.4083 6.0669 6.0669 6.2847 6.2847 7.0460 7.0460 9.0090 9.0090 10.6745 10.6745 11.0249 11.0249 12.3129 12.3129 k = 0.6035-0.1206 0.5230 ( 3138 PWs) bands (ev): -7.5594 -7.5594 -7.4176 -7.4176 -7.3867 -7.3867 -7.3603 -7.3603 -6.7813 -6.7813 -6.6259 -6.6259 -6.5387 -6.5387 -6.4938 -6.4938 -6.4434 -6.4434 -6.3394 -6.3394 -5.0575 -5.0575 -4.4410 -4.4410 1.3652 1.3652 2.1878 2.1878 4.0793 4.0793 4.2854 4.2854 6.0634 6.0634 6.2748 6.2748 6.9872 6.9872 8.9356 8.9356 10.6963 10.6963 11.0922 11.0922 12.4334 12.4334 k = 0.6100-0.1391 0.5230 ( 3136 PWs) bands (ev): -7.5594 -7.5594 -7.4208 -7.4208 -7.3875 -7.3875 -7.3601 -7.3601 -6.7824 -6.7824 -6.6253 -6.6253 -6.5417 -6.5417 -6.4954 -6.4954 -6.4438 -6.4438 -6.3380 -6.3380 -5.0298 -5.0298 -4.4294 -4.4294 1.4084 1.4084 2.2045 2.2045 4.0087 4.0087 4.1655 4.1655 6.0555 6.0555 6.2619 6.2619 6.9226 6.9226 8.8678 8.8678 10.7190 10.7190 11.1547 11.1547 12.5528 12.5528 k = 0.6165-0.1575 0.5230 ( 3136 PWs) bands (ev): -7.5593 -7.5593 -7.4241 -7.4241 -7.3883 -7.3883 -7.3599 -7.3599 -6.7834 -6.7834 -6.6248 -6.6248 -6.5449 -6.5449 -6.4969 -6.4969 -6.4439 -6.4439 -6.3367 -6.3367 -5.0016 -5.0016 -4.4177 -4.4177 1.4539 1.4539 2.2202 2.2202 3.9408 3.9408 4.0499 4.0499 6.0423 6.0423 6.2467 6.2467 6.8538 6.8538 8.8063 8.8063 10.7426 10.7426 11.2103 11.2103 12.6678 12.6678 k = 0.6230-0.1760 0.5230 ( 3136 PWs) bands (ev): -7.5592 -7.5592 -7.4274 -7.4274 -7.3892 -7.3892 -7.3598 -7.3598 -6.7843 -6.7843 -6.6244 -6.6244 -6.5483 -6.5483 -6.4982 -6.4982 -6.4439 -6.4439 -6.3354 -6.3354 -4.9730 -4.9730 -4.4061 -4.4061 1.5016 1.5016 2.2346 2.2346 3.8726 3.8726 3.9428 3.9428 6.0225 6.0225 6.2296 6.2296 6.7824 6.7824 8.7516 8.7516 10.7670 10.7670 11.2575 11.2575 12.7747 12.7747 k = 0.6294-0.1945 0.5230 ( 3138 PWs) bands (ev): -7.5590 -7.5590 -7.4308 -7.4308 -7.3901 -7.3901 -7.3597 -7.3597 -6.7850 -6.7850 -6.6239 -6.6239 -6.5518 -6.5518 -6.4993 -6.4993 -6.4437 -6.4437 -6.3341 -6.3341 -4.9442 -4.9442 -4.3947 -4.3947 1.5513 1.5513 2.2474 2.2474 3.7918 3.7918 3.8574 3.8574 5.9952 5.9952 6.2104 6.2104 6.7102 6.7102 8.7038 8.7038 10.7919 10.7919 11.2951 11.2951 12.8692 12.8692 k = 0.6359-0.2130 0.5230 ( 3132 PWs) bands (ev): -7.5588 -7.5588 -7.4342 -7.4342 -7.3910 -7.3910 -7.3596 -7.3596 -6.7856 -6.7856 -6.6236 -6.6236 -6.5554 -6.5554 -6.5003 -6.5003 -6.4434 -6.4434 -6.3329 -6.3329 -4.9152 -4.9152 -4.3835 -4.3835 1.6028 1.6028 2.2582 2.2582 3.6944 3.6944 3.7985 3.7985 5.9603 5.9603 6.1884 6.1884 6.6395 6.6395 8.6630 8.6630 10.8172 10.8172 11.3223 11.3223 12.9480 12.9480 k = 0.6424-0.2315 0.5230 ( 3128 PWs) bands (ev): -7.5585 -7.5585 -7.4376 -7.4376 -7.3920 -7.3920 -7.3595 -7.3595 -6.7859 -6.7859 -6.6232 -6.6232 -6.5590 -6.5590 -6.5012 -6.5012 -6.4429 -6.4429 -6.3317 -6.3317 -4.8862 -4.8862 -4.3726 -4.3726 1.6561 1.6561 2.2666 2.2666 3.5941 3.5941 3.7534 3.7534 5.9181 5.9181 6.1617 6.1617 6.5727 6.5727 8.6291 8.6291 10.8427 10.8427 11.3391 11.3391 13.0089 13.0089 k = 0.6489-0.2499 0.5230 ( 3132 PWs) bands (ev): -7.5582 -7.5582 -7.4410 -7.4410 -7.3930 -7.3930 -7.3594 -7.3594 -6.7862 -6.7862 -6.6229 -6.6229 -6.5626 -6.5626 -6.5020 -6.5020 -6.4424 -6.4424 -6.3305 -6.3305 -4.8574 -4.8574 -4.3623 -4.3623 1.7107 1.7107 2.2725 2.2725 3.4962 3.4962 3.7173 3.7173 5.8693 5.8693 6.1278 6.1278 6.5130 6.5130 8.6019 8.6019 10.8681 10.8681 11.3458 11.3458 13.0525 13.0525 k = 0.6553-0.2684 0.5230 ( 3124 PWs) bands (ev): -7.5578 -7.5578 -7.4444 -7.4444 -7.3940 -7.3940 -7.3593 -7.3593 -6.7863 -6.7863 -6.6226 -6.6226 -6.5661 -6.5661 -6.5026 -6.5026 -6.4419 -6.4419 -6.3293 -6.3293 -4.8290 -4.8290 -4.3526 -4.3526 1.7663 1.7663 2.2757 2.2757 3.4027 3.4027 3.6891 3.6891 5.8150 5.8150 6.0844 6.0844 6.4626 6.4626 8.5809 8.5809 10.8932 10.8932 11.3432 11.3432 13.0810 13.0810 k = 0.6618-0.2869 0.5230 ( 3130 PWs) bands (ev): -7.5574 -7.5574 -7.4478 -7.4478 -7.3950 -7.3950 -7.3592 -7.3592 -6.7862 -6.7862 -6.6224 -6.6224 -6.5696 -6.5696 -6.5031 -6.5031 -6.4412 -6.4412 -6.3283 -6.3283 -4.8010 -4.8010 -4.3435 -4.3435 1.8224 1.8224 2.2763 2.2763 3.3145 3.3145 3.6684 3.6684 5.7563 5.7563 6.0307 6.0307 6.4225 6.4225 8.5655 8.5655 10.9178 10.9178 11.3327 11.3327 13.0979 13.0979 k = 0.6683-0.3054 0.5230 ( 3128 PWs) bands (ev): -7.5569 -7.5569 -7.4512 -7.4512 -7.3960 -7.3960 -7.3590 -7.3590 -6.7859 -6.7859 -6.6223 -6.6223 -6.5730 -6.5730 -6.5036 -6.5036 -6.4406 -6.4406 -6.3272 -6.3272 -4.7737 -4.7737 -4.3354 -4.3354 1.8783 1.8783 2.2746 2.2746 3.2324 3.2324 3.6547 3.6547 5.6942 5.6942 5.9680 5.9680 6.3917 6.3917 8.5554 8.5554 10.9417 10.9417 11.3155 11.3155 13.1067 13.1067 k = 0.6747-0.3239 0.5230 ( 3132 PWs) bands (ev): -7.5563 -7.5563 -7.4546 -7.4546 -7.3971 -7.3971 -7.3589 -7.3589 -6.7856 -6.7856 -6.6221 -6.6221 -6.5763 -6.5763 -6.5040 -6.5040 -6.4399 -6.4399 -6.3263 -6.3263 -4.7471 -4.7471 -4.3281 -4.3281 1.9330 1.9330 2.2708 2.2708 3.1576 3.1576 3.6476 3.6476 5.6299 5.6299 5.8985 5.8985 6.3681 6.3681 8.5497 8.5497 10.9645 10.9645 11.2932 11.2932 13.1107 13.1107 k = 0.6812-0.3423 0.5230 ( 3124 PWs) bands (ev): -7.5556 -7.5556 -7.4579 -7.4579 -7.3981 -7.3981 -7.3587 -7.3587 -6.7850 -6.7850 -6.6220 -6.6220 -6.5794 -6.5794 -6.5043 -6.5043 -6.4392 -6.4392 -6.3254 -6.3254 -4.7215 -4.7215 -4.3219 -4.3219 1.9854 1.9854 2.2656 2.2656 3.0914 3.0914 3.6462 3.6462 5.5646 5.5646 5.8249 5.8249 6.3493 6.3493 8.5479 8.5479 10.9862 10.9862 11.2674 11.2674 13.1121 13.1121 k = 0.6877-0.3608 0.5230 ( 3128 PWs) bands (ev): -7.5549 -7.5549 -7.4611 -7.4611 -7.3991 -7.3991 -7.3585 -7.3585 -6.7843 -6.7843 -6.6220 -6.6220 -6.5823 -6.5823 -6.5045 -6.5045 -6.4385 -6.4385 -6.3245 -6.3245 -4.6969 -4.6969 -4.3169 -4.3169 2.0337 2.0337 2.2595 2.2595 3.0353 3.0353 3.6497 3.6497 5.4991 5.4991 5.7494 5.7494 6.3333 6.3333 8.5494 8.5494 11.0062 11.0062 11.2397 11.2397 13.1131 13.1131 k = 0.6942-0.3793 0.5230 ( 3126 PWs) bands (ev): -7.5541 -7.5541 -7.4642 -7.4642 -7.4001 -7.4001 -7.3583 -7.3583 -6.7835 -6.7835 -6.6220 -6.6220 -6.5851 -6.5851 -6.5048 -6.5048 -6.4377 -6.4377 -6.3238 -6.3238 -4.6735 -4.6735 -4.3131 -4.3131 2.0758 2.0758 2.2532 2.2532 2.9916 2.9916 3.6570 3.6570 5.4349 5.4349 5.6735 5.6735 6.3189 6.3189 8.5534 8.5534 11.0242 11.0242 11.2117 11.2117 13.1149 13.1149 k = 0.7006-0.3978 0.5230 ( 3126 PWs) bands (ev): -7.5532 -7.5532 -7.4672 -7.4672 -7.4011 -7.4011 -7.3580 -7.3580 -6.7826 -6.7826 -6.6220 -6.6220 -6.5877 -6.5877 -6.5049 -6.5049 -6.4370 -6.4370 -6.3231 -6.3231 -4.6514 -4.6514 -4.3107 -4.3107 2.1093 2.1093 2.2473 2.2473 2.9626 2.9626 3.6668 3.6668 5.3729 5.3729 5.5986 5.5986 6.3051 6.3051 8.5594 8.5594 11.0392 11.0392 11.1854 11.1854 13.1187 13.1187 k = 0.7071-0.4162 0.5230 ( 3130 PWs) bands (ev): -7.5522 -7.5522 -7.4701 -7.4701 -7.4020 -7.4020 -7.3578 -7.3578 -6.7816 -6.7816 -6.6221 -6.6221 -6.5901 -6.5901 -6.5051 -6.5051 -6.4362 -6.4362 -6.3225 -6.3225 -4.6308 -4.6308 -4.3097 -4.3097 2.1321 2.1321 2.2423 2.2423 2.9503 2.9503 3.6780 3.6780 5.3143 5.3143 5.5257 5.5257 6.2913 6.2913 8.5667 8.5667 11.0498 11.0498 11.1631 11.1631 13.1251 13.1251 k = 0.7136-0.4347 0.5230 ( 3134 PWs) bands (ev): -7.5512 -7.5512 -7.4729 -7.4729 -7.4028 -7.4028 -7.3575 -7.3575 -6.7804 -6.7804 -6.6223 -6.6223 -6.5923 -6.5923 -6.5052 -6.5052 -6.4355 -6.4355 -6.3220 -6.3220 -4.6117 -4.6117 -4.3102 -4.3102 2.1429 2.1429 2.2387 2.2387 2.9562 2.9562 3.6891 3.6891 5.2605 5.2605 5.4555 5.4555 6.2769 6.2769 8.5748 8.5748 11.0534 11.0534 11.1481 11.1481 13.1346 13.1346 k = 0.7200-0.4532 0.5230 ( 3128 PWs) bands (ev): -7.5501 -7.5501 -7.4755 -7.4755 -7.4037 -7.4037 -7.3572 -7.3572 -6.7792 -6.7792 -6.6224 -6.6224 -6.5943 -6.5943 -6.5053 -6.5053 -6.4347 -6.4347 -6.3216 -6.3216 -4.5943 -4.5943 -4.3122 -4.3122 2.1420 2.1420 2.2369 2.2369 2.9798 2.9798 3.6987 3.6987 5.2126 5.2126 5.3888 5.3888 6.2617 6.2617 8.5832 8.5832 11.0485 11.0485 11.1427 11.1427 13.1476 13.1476 k = 0.7265-0.4717 0.5230 ( 3128 PWs) bands (ev): -7.5489 -7.5489 -7.4780 -7.4780 -7.4044 -7.4044 -7.3569 -7.3569 -6.7778 -6.7778 -6.6226 -6.6226 -6.5961 -6.5961 -6.5055 -6.5055 -6.4340 -6.4340 -6.3213 -6.3213 -4.5786 -4.5786 -4.3159 -4.3159 2.1307 2.1307 2.2378 2.2378 3.0192 3.0192 3.7053 3.7053 5.1720 5.1720 5.3262 5.3262 6.2456 6.2456 8.5915 8.5915 11.0377 11.0377 11.1448 11.1448 13.1642 13.1642 k = 0.7330-0.4902 0.5230 ( 3128 PWs) bands (ev): -7.5477 -7.5477 -7.4803 -7.4803 -7.4051 -7.4051 -7.3565 -7.3565 -6.7763 -6.7763 -6.6228 -6.6228 -6.5978 -6.5978 -6.5055 -6.5055 -6.4332 -6.4332 -6.3211 -6.3211 -4.5647 -4.5647 -4.3212 -4.3212 2.1113 2.1113 2.2421 2.2421 3.0717 3.0717 3.7077 3.7077 5.1395 5.1395 5.2685 5.2685 6.2282 6.2282 8.5992 8.5992 11.0254 11.0254 11.1504 11.1504 13.1843 13.1843 k = 0.7395-0.5086 0.5230 ( 3124 PWs) bands (ev): -7.5465 -7.5465 -7.4824 -7.4824 -7.4057 -7.4057 -7.3562 -7.3562 -6.7748 -6.7748 -6.6230 -6.6230 -6.5992 -6.5992 -6.5056 -6.5056 -6.4325 -6.4325 -6.3210 -6.3210 -4.5526 -4.5526 -4.3282 -4.3282 2.0859 2.0859 2.2501 2.2501 3.1346 3.1346 3.7048 3.7048 5.1160 5.1160 5.2166 5.2166 6.2097 6.2097 8.6061 8.6061 11.0142 11.0142 11.1570 11.1570 13.2079 13.2079 k = 0.7459-0.5271 0.5230 ( 3122 PWs) bands (ev): -7.5452 -7.5452 -7.4843 -7.4843 -7.4062 -7.4062 -7.3558 -7.3558 -6.7732 -6.7732 -6.6232 -6.6232 -6.6005 -6.6005 -6.5057 -6.5057 -6.4318 -6.4318 -6.3209 -6.3209 -4.5425 -4.5425 -4.3368 -4.3368 2.0569 2.0569 2.2621 2.2621 3.2052 3.2052 3.6958 3.6958 5.1012 5.1012 5.1716 5.1716 6.1899 6.1899 8.6121 8.6121 11.0058 11.0058 11.1632 11.1632 13.2348 13.2348 k = 0.2541-0.7255 0.7190 ( 3122 PWs) bands (ev): -7.5452 -7.5452 -7.4843 -7.4843 -7.4062 -7.4062 -7.3558 -7.3558 -6.7732 -6.7732 -6.6232 -6.6232 -6.6005 -6.6005 -6.5057 -6.5057 -6.4318 -6.4318 -6.3209 -6.3209 -4.5425 -4.5425 -4.3368 -4.3368 2.0569 2.0569 2.2621 2.2621 3.2052 3.2052 3.6958 3.6958 5.1012 5.1012 5.1716 5.1716 6.1899 6.1899 8.6121 8.6121 11.0058 11.0058 11.1632 11.1632 13.2348 13.2348 k = 0.2476-0.7069 0.7190 ( 3126 PWs) bands (ev): -7.5440 -7.5440 -7.4860 -7.4860 -7.4067 -7.4067 -7.3554 -7.3554 -6.7715 -6.7715 -6.6234 -6.6234 -6.6016 -6.6016 -6.5058 -6.5058 -6.4311 -6.4311 -6.3210 -6.3210 -4.5344 -4.5344 -4.3473 -4.3473 2.0254 2.0254 2.2785 2.2785 3.2822 3.2822 3.6803 3.6803 5.0922 5.0922 5.1374 5.1374 6.1687 6.1687 8.6169 8.6169 11.0005 11.0005 11.1684 11.1684 13.2648 13.2648 k = 0.2410-0.6883 0.7190 ( 3126 PWs) bands (ev): -7.5427 -7.5427 -7.4875 -7.4875 -7.4070 -7.4070 -7.3550 -7.3550 -6.7697 -6.7697 -6.6235 -6.6235 -6.6025 -6.6025 -6.5058 -6.5058 -6.4304 -6.4304 -6.3212 -6.3212 -4.5282 -4.5282 -4.3594 -4.3594 1.9929 1.9929 2.2992 2.2992 3.3634 3.3634 3.6583 3.6583 5.0776 5.0776 5.1259 5.1259 6.1464 6.1464 8.6206 8.6206 10.9985 10.9985 11.1722 11.1722 13.2974 13.2974 k = 0.2345-0.6697 0.7190 ( 3124 PWs) bands (ev): -7.5414 -7.5414 -7.4888 -7.4888 -7.4073 -7.4073 -7.3545 -7.3545 -6.7679 -6.7679 -6.6236 -6.6236 -6.6034 -6.6034 -6.5059 -6.5059 -6.4297 -6.4297 -6.3215 -6.3215 -4.5240 -4.5240 -4.3731 -4.3731 1.9600 1.9600 2.3243 2.3243 3.4474 3.4474 3.6304 3.6304 5.0573 5.0573 5.1375 5.1375 6.1228 6.1228 8.6231 8.6231 10.9996 10.9996 11.1743 11.1743 13.3323 13.3323 k = 0.2280-0.6511 0.7190 ( 3122 PWs) bands (ev): -7.5401 -7.5401 -7.4898 -7.4898 -7.4074 -7.4074 -7.3541 -7.3541 -6.7660 -6.7660 -6.6237 -6.6237 -6.6040 -6.6040 -6.5060 -6.5060 -6.4290 -6.4290 -6.3219 -6.3219 -4.5217 -4.5217 -4.3885 -4.3885 1.9273 1.9273 2.3538 2.3538 3.5332 3.5332 3.5975 3.5975 5.0414 5.0414 5.1616 5.1616 6.0983 6.0983 8.6248 8.6248 11.0033 11.0033 11.1744 11.1744 13.3686 13.3686 k = 0.2215-0.6325 0.7190 ( 3120 PWs) bands (ev): -7.5389 -7.5389 -7.4906 -7.4906 -7.4074 -7.4074 -7.3536 -7.3536 -6.7640 -6.7640 -6.6236 -6.6236 -6.6046 -6.6046 -6.5060 -6.5060 -6.4283 -6.4283 -6.3224 -6.3224 -4.5214 -4.5214 -4.4054 -4.4054 1.8949 1.8949 2.3874 2.3874 3.5606 3.5606 3.6198 3.6198 5.0333 5.0333 5.1944 5.1944 6.0729 6.0729 8.6258 8.6258 11.0088 11.0088 11.1727 11.1727 13.4059 13.4059 k = 0.2150-0.6139 0.7190 ( 3124 PWs) bands (ev): -7.5377 -7.5377 -7.4913 -7.4913 -7.4072 -7.4072 -7.3531 -7.3531 -6.7620 -6.7620 -6.6235 -6.6235 -6.6050 -6.6050 -6.5061 -6.5061 -6.4277 -6.4277 -6.3229 -6.3229 -4.5231 -4.5231 -4.4238 -4.4238 1.8631 1.8631 2.4250 2.4250 3.5212 3.5212 3.7061 3.7061 5.0343 5.0343 5.2339 5.2339 6.0468 6.0468 8.6264 8.6264 11.0151 11.0151 11.1689 11.1689 13.4431 13.4431 k = 0.2085-0.5953 0.7190 ( 3126 PWs) bands (ev): -7.5366 -7.5366 -7.4917 -7.4917 -7.4069 -7.4069 -7.3527 -7.3527 -6.7600 -6.7600 -6.6233 -6.6233 -6.6053 -6.6053 -6.5061 -6.5061 -6.4271 -6.4271 -6.3236 -6.3236 -4.5265 -4.5265 -4.4435 -4.4435 1.8317 1.8317 2.4661 2.4661 3.4804 3.4804 3.7916 3.7916 5.0453 5.0453 5.2787 5.2787 6.0203 6.0203 8.6271 8.6271 11.0210 11.0210 11.1631 11.1631 13.4792 13.4792 k = 0.2020-0.5767 0.7190 ( 3128 PWs) bands (ev): -7.5355 -7.5355 -7.4919 -7.4919 -7.4065 -7.4065 -7.3522 -7.3522 -6.7579 -6.7579 -6.6230 -6.6230 -6.6054 -6.6054 -6.5062 -6.5062 -6.4264 -6.4264 -6.3244 -6.3244 -4.5317 -4.5317 -4.4646 -4.4646 1.8009 1.8009 2.5100 2.5100 3.4399 3.4399 3.8754 3.8754 5.0666 5.0666 5.3275 5.3275 5.9935 5.9935 8.6282 8.6282 11.0248 11.0248 11.1556 11.1556 13.5126 13.5126 k = 0.1954-0.5581 0.7190 ( 3132 PWs) bands (ev): -7.5345 -7.5345 -7.4919 -7.4919 -7.4059 -7.4059 -7.3517 -7.3517 -6.7557 -6.7557 -6.6227 -6.6227 -6.6055 -6.6055 -6.5062 -6.5062 -6.4258 -6.4258 -6.3252 -6.3252 -4.5386 -4.5386 -4.4868 -4.4868 1.7706 1.7706 2.5557 2.5557 3.4013 3.4013 3.9570 3.9570 5.0986 5.0986 5.3792 5.3792 5.9670 5.9670 8.6302 8.6302 11.0248 11.0248 11.1464 11.1464 13.5413 13.5413 k = 0.1889-0.5395 0.7190 ( 3132 PWs) bands (ev): -7.5336 -7.5336 -7.4919 -7.4919 -7.4051 -7.4051 -7.3512 -7.3512 -6.7535 -6.7535 -6.6222 -6.6222 -6.6053 -6.6053 -6.5062 -6.5062 -6.4252 -6.4252 -6.3262 -6.3262 -4.5471 -4.5471 -4.5100 -4.5100 1.7408 1.7408 2.6018 2.6018 3.3667 3.3667 4.0363 4.0363 5.1411 5.1411 5.4326 5.4326 5.9411 5.9411 8.6336 8.6336 11.0197 11.0197 11.1356 11.1356 13.5627 13.5627 k = 0.1824-0.5209 0.7190 ( 3134 PWs) bands (ev): -7.5326 -7.5326 -7.4917 -7.4917 -7.4042 -7.4042 -7.3508 -7.3508 -6.7513 -6.7513 -6.6218 -6.6218 -6.6050 -6.6050 -6.5062 -6.5062 -6.4247 -6.4247 -6.3272 -6.3272 -4.5573 -4.5573 -4.5339 -4.5339 1.7113 1.7113 2.6459 2.6459 3.3388 3.3388 4.1132 4.1132 5.1936 5.1936 5.4865 5.4865 5.9167 5.9167 8.6389 8.6389 11.0080 11.0080 11.1226 11.1226 13.5742 13.5742 k = 0.1759-0.5023 0.7190 ( 3132 PWs) bands (ev): -7.5317 -7.5317 -7.4914 -7.4914 -7.4031 -7.4031 -7.3503 -7.3503 -6.7491 -6.7491 -6.6213 -6.6213 -6.6044 -6.6044 -6.5062 -6.5062 -6.4241 -6.4241 -6.3283 -6.3283 -4.5698 -4.5698 -4.5577 -4.5577 1.6822 1.6822 2.6850 2.6850 3.3210 3.3210 4.1879 4.1879 5.2547 5.2547 5.5397 5.5397 5.8950 5.8950 8.6464 8.6464 10.9897 10.9897 11.1062 11.1062 13.5745 13.5745 k = 0.1694-0.4837 0.7190 ( 3128 PWs) bands (ev): -7.5308 -7.5308 -7.4911 -7.4911 -7.4019 -7.4019 -7.3498 -7.3498 -6.7468 -6.7468 -6.6209 -6.6209 -6.6036 -6.6036 -6.5062 -6.5062 -6.4235 -6.4235 -6.3294 -6.3294 -4.5888 -4.5888 -4.5768 -4.5768 1.6534 1.6534 2.7154 2.7154 3.3173 3.3173 4.2611 4.2611 5.3226 5.3226 5.5906 5.5906 5.8782 5.8782 8.6568 8.6568 10.9647 10.9647 11.0846 11.0846 13.5655 13.5655 k = 0.1629-0.4651 0.7190 ( 3128 PWs) bands (ev): -7.5300 -7.5300 -7.4907 -7.4907 -7.4004 -7.4004 -7.3494 -7.3494 -6.7445 -6.7445 -6.6205 -6.6205 -6.6025 -6.6025 -6.5062 -6.5062 -6.4230 -6.4230 -6.3306 -6.3306 -4.6139 -4.6139 -4.5916 -4.5916 1.6249 1.6249 2.7337 2.7337 3.3313 3.3313 4.3333 4.3333 5.3941 5.3941 5.6374 5.6374 5.8697 5.8697 8.6702 8.6702 10.9337 10.9337 11.0560 11.0560 13.5503 13.5503 k = 0.1564-0.4464 0.7190 ( 3126 PWs) bands (ev): -7.5291 -7.5291 -7.4904 -7.4904 -7.3988 -7.3988 -7.3490 -7.3490 -6.7422 -6.7422 -6.6202 -6.6202 -6.6011 -6.6011 -6.5062 -6.5062 -6.4224 -6.4224 -6.3319 -6.3319 -4.6404 -4.6404 -4.6062 -4.6062 1.5967 1.5967 2.7384 2.7384 3.3645 3.3645 4.4053 4.4053 5.4632 5.4632 5.6787 5.6787 5.8750 5.8750 8.6872 8.6872 10.8970 10.8970 11.0190 11.0190 13.5316 13.5316 k = 0.1498-0.4278 0.7190 ( 3124 PWs) bands (ev): -7.5282 -7.5282 -7.4900 -7.4900 -7.3971 -7.3971 -7.3485 -7.3485 -6.7398 -6.7398 -6.6200 -6.6200 -6.5994 -6.5994 -6.5061 -6.5061 -6.4218 -6.4218 -6.3332 -6.3332 -4.6675 -4.6675 -4.6213 -4.6213 1.5688 1.5688 2.7304 2.7304 3.4160 3.4160 4.4778 4.4778 5.5199 5.5199 5.7187 5.7187 5.8986 5.8986 8.7080 8.7080 10.8547 10.8547 10.9729 10.9729 13.5101 13.5101 k = 0.1433-0.4092 0.7190 ( 3122 PWs) bands (ev): -7.5273 -7.5273 -7.4898 -7.4898 -7.3953 -7.3953 -7.3481 -7.3481 -6.7375 -6.7375 -6.6199 -6.6199 -6.5974 -6.5974 -6.5061 -6.5061 -6.4213 -6.4213 -6.3346 -6.3346 -4.6948 -4.6948 -4.6370 -4.6370 1.5413 1.5413 2.7126 2.7126 3.4831 3.4831 4.5513 4.5513 5.5526 5.5526 5.7664 5.7664 5.9412 5.9412 8.7327 8.7327 10.8061 10.8061 10.9181 10.9181 13.4840 13.4840 k = 0.1368-0.3906 0.7190 ( 3126 PWs) bands (ev): -7.5264 -7.5264 -7.4895 -7.4895 -7.3933 -7.3933 -7.3478 -7.3478 -6.7351 -6.7351 -6.6199 -6.6199 -6.5950 -6.5950 -6.5060 -6.5060 -6.4208 -6.4208 -6.3360 -6.3360 -4.7222 -4.7222 -4.6531 -4.6531 1.5142 1.5142 2.6881 2.6881 3.5625 3.5625 4.6265 4.6265 5.5608 5.5608 5.8226 5.8226 6.0011 6.0011 8.7615 8.7615 10.7497 10.7497 10.8567 10.8567 13.4485 13.4485 k = 0.1303-0.3720 0.7190 ( 3116 PWs) bands (ev): -7.5255 -7.5255 -7.4894 -7.4894 -7.3912 -7.3912 -7.3474 -7.3474 -6.7328 -6.7328 -6.6199 -6.6199 -6.5924 -6.5924 -6.5060 -6.5060 -6.4202 -6.4202 -6.3374 -6.3374 -4.7496 -4.7496 -4.6696 -4.6696 1.4876 1.4876 2.6593 2.6593 3.6517 3.6517 4.7036 4.7036 5.5538 5.5538 5.8783 5.8783 6.0769 6.0769 8.7944 8.7944 10.6825 10.6825 10.7926 10.7926 13.3969 13.3969 k = 0.1238-0.3534 0.7190 ( 3116 PWs) bands (ev): -7.5246 -7.5246 -7.4893 -7.4893 -7.3890 -7.3890 -7.3471 -7.3471 -6.7304 -6.7304 -6.6201 -6.6201 -6.5894 -6.5894 -6.5059 -6.5059 -6.4197 -6.4197 -6.3389 -6.3389 -4.7767 -4.7767 -4.6862 -4.6862 1.4616 1.4616 2.6281 2.6281 3.7486 3.7486 4.7829 4.7829 5.5392 5.5392 5.9277 5.9277 6.1652 6.1652 8.8312 8.8312 10.6016 10.6016 10.7301 10.7301 13.3251 13.3251 k = 0.1173-0.3348 0.7190 ( 3118 PWs) bands (ev): -7.5236 -7.5236 -7.4892 -7.4892 -7.3868 -7.3868 -7.3468 -7.3468 -6.7280 -6.7280 -6.6203 -6.6203 -6.5862 -6.5862 -6.5059 -6.5059 -6.4192 -6.4192 -6.3404 -6.3404 -4.8034 -4.8034 -4.7030 -4.7030 1.4363 1.4363 2.5959 2.5959 3.8518 3.8518 4.8643 4.8643 5.5209 5.5209 5.9702 5.9702 6.2617 6.2617 8.8717 8.8717 10.5069 10.5069 10.6712 10.6712 13.2358 13.2358 k = 0.1107-0.3162 0.7190 ( 3118 PWs) bands (ev): -7.5226 -7.5226 -7.4893 -7.4893 -7.3845 -7.3845 -7.3466 -7.3466 -6.7257 -6.7257 -6.6206 -6.6206 -6.5828 -6.5828 -6.5058 -6.5058 -6.4186 -6.4186 -6.3419 -6.3419 -4.8297 -4.8297 -4.7196 -4.7196 1.4117 1.4117 2.5635 2.5635 3.9601 3.9601 4.9478 4.9478 5.5012 5.5012 6.0068 6.0068 6.3621 6.3621 8.9153 8.9153 10.4009 10.4009 10.6158 10.6158 13.1336 13.1336 k = 0.1042-0.2976 0.7190 ( 3114 PWs) bands (ev): -7.5215 -7.5215 -7.4894 -7.4894 -7.3822 -7.3822 -7.3463 -7.3463 -6.7234 -6.7234 -6.6210 -6.6210 -6.5792 -6.5792 -6.5058 -6.5058 -6.4181 -6.4181 -6.3434 -6.3434 -4.8552 -4.8552 -4.7361 -4.7361 1.3880 1.3880 2.5316 2.5316 4.0727 4.0727 5.0331 5.0331 5.4815 5.4815 6.0381 6.0381 6.4632 6.4632 8.9614 8.9614 10.2864 10.2864 10.5637 10.5637 13.0223 13.0223 k = 0.0977-0.2790 0.7190 ( 3116 PWs) bands (ev): -7.5205 -7.5205 -7.4897 -7.4897 -7.3799 -7.3799 -7.3462 -7.3462 -6.7211 -6.7211 -6.6214 -6.6214 -6.5754 -6.5754 -6.5058 -6.5058 -6.4175 -6.4175 -6.3448 -6.3448 -4.8801 -4.8801 -4.7522 -4.7522 1.3652 1.3652 2.5005 2.5005 4.1889 4.1889 5.1193 5.1193 5.4630 5.4630 6.0649 6.0649 6.5627 6.5627 9.0090 9.0090 10.1663 10.1663 10.5153 10.5153 12.9045 12.9045 k = 0.0912-0.2604 0.7190 ( 3112 PWs) bands (ev): -7.5194 -7.5194 -7.4899 -7.4899 -7.3776 -7.3776 -7.3461 -7.3461 -6.7188 -6.7188 -6.6218 -6.6218 -6.5715 -6.5715 -6.5059 -6.5059 -6.4170 -6.4170 -6.3463 -6.3463 -4.9040 -4.9040 -4.7679 -4.7679 1.3434 1.3434 2.4707 2.4707 4.3079 4.3079 5.2045 5.2045 5.4478 5.4478 6.0874 6.0874 6.6585 6.6585 9.0565 9.0565 10.0434 10.0434 10.4714 10.4714 12.7819 12.7819 k = 0.0847-0.2418 0.7190 ( 3112 PWs) bands (ev): -7.5184 -7.5184 -7.4903 -7.4903 -7.3754 -7.3754 -7.3460 -7.3460 -6.7166 -6.7166 -6.6223 -6.6223 -6.5675 -6.5675 -6.5060 -6.5060 -6.4165 -6.4165 -6.3478 -6.3478 -4.9269 -4.9269 -4.7831 -4.7831 1.3228 1.3228 2.4424 2.4424 4.4291 4.4291 5.2826 5.2826 5.4421 5.4421 6.1058 6.1058 6.7488 6.7488 9.1017 9.1017 9.9211 9.9211 10.4332 10.4332 12.6557 12.6557 k = 0.0782-0.2232 0.7190 ( 3116 PWs) bands (ev): -7.5173 -7.5173 -7.4907 -7.4907 -7.3732 -7.3732 -7.3460 -7.3460 -6.7144 -6.7144 -6.6228 -6.6228 -6.5634 -6.5634 -6.5062 -6.5062 -6.4159 -6.4159 -6.3492 -6.3492 -4.9487 -4.9487 -4.7975 -4.7975 1.3033 1.3033 2.4157 2.4157 4.5519 4.5519 5.3339 5.3339 5.4651 5.4651 6.1205 6.1205 6.8319 6.8319 9.1403 9.1403 9.8045 9.8045 10.4022 10.4022 12.5268 12.5268 k = 0.0717-0.2046 0.7190 ( 3110 PWs) bands (ev): -7.5162 -7.5162 -7.4912 -7.4912 -7.3710 -7.3710 -7.3460 -7.3460 -6.7124 -6.7124 -6.6233 -6.6233 -6.5593 -6.5593 -6.5065 -6.5065 -6.4154 -6.4154 -6.3506 -6.3506 -4.9692 -4.9692 -4.8113 -4.8113 1.2851 1.2851 2.3909 2.3909 4.6756 4.6756 5.3447 5.3447 5.5302 5.5302 6.1315 6.1315 6.9062 6.9062 9.1653 9.1653 9.7016 9.7016 10.3799 10.3799 12.3960 12.3960 k = 0.0651-0.1860 0.7190 ( 3108 PWs) bands (ev): -7.5151 -7.5151 -7.4917 -7.4917 -7.3689 -7.3689 -7.3462 -7.3462 -6.7104 -6.7104 -6.6238 -6.6238 -6.5551 -6.5551 -6.5069 -6.5069 -6.4149 -6.4149 -6.3519 -6.3519 -4.9884 -4.9884 -4.8242 -4.8242 1.2682 1.2682 2.3679 2.3679 4.7994 4.7994 5.3380 5.3380 5.6137 5.6137 6.1392 6.1392 6.9702 6.9702 9.1644 9.1644 9.6253 9.6253 10.3679 10.3679 12.2638 12.2638 k = 0.0586-0.1674 0.7190 ( 3112 PWs) bands (ev): -7.5140 -7.5140 -7.4923 -7.4923 -7.3669 -7.3669 -7.3463 -7.3463 -6.7085 -6.7085 -6.6243 -6.6243 -6.5510 -6.5510 -6.5074 -6.5074 -6.4144 -6.4144 -6.3532 -6.3532 -5.0061 -5.0061 -4.8361 -4.8361 1.2528 1.2528 2.3470 2.3470 4.9225 4.9225 5.3272 5.3272 5.7012 5.7012 6.1438 6.1438 7.0227 7.0227 9.1265 9.1265 9.5875 9.5875 10.3674 10.3674 12.1307 12.1307 k = 0.0521-0.1488 0.7190 ( 3114 PWs) bands (ev): -7.5129 -7.5129 -7.4929 -7.4929 -7.3651 -7.3651 -7.3466 -7.3466 -6.7067 -6.7067 -6.6248 -6.6248 -6.5470 -6.5470 -6.5081 -6.5081 -6.4139 -6.4139 -6.3544 -6.3544 -5.0222 -5.0222 -4.8470 -4.8470 1.2388 1.2388 2.3281 2.3281 5.0437 5.0437 5.3162 5.3162 5.7872 5.7872 6.1462 6.1462 7.0631 7.0631 9.0553 9.0553 9.5854 9.5854 10.3797 10.3797 11.9973 11.9973 k = 0.0456-0.1302 0.7190 ( 3118 PWs) bands (ev): -7.5119 -7.5119 -7.4935 -7.4935 -7.3633 -7.3633 -7.3468 -7.3468 -6.7051 -6.7051 -6.6253 -6.6253 -6.5430 -6.5430 -6.5089 -6.5089 -6.4134 -6.4134 -6.3554 -6.3554 -5.0367 -5.0367 -4.8568 -4.8568 1.2263 1.2263 2.3113 2.3113 5.1612 5.1612 5.3070 5.3070 5.8675 5.8675 6.1480 6.1480 7.0911 7.0911 8.9663 8.9663 9.6046 9.6046 10.4053 10.4053 11.8642 11.8642 k = 0.0391-0.1116 0.7190 ( 3112 PWs) bands (ev): -7.5109 -7.5109 -7.4941 -7.4941 -7.3616 -7.3616 -7.3472 -7.3472 -6.7037 -6.7037 -6.6258 -6.6258 -6.5392 -6.5392 -6.5099 -6.5099 -6.4130 -6.4130 -6.3564 -6.3564 -5.0494 -5.0494 -4.8654 -4.8654 1.2154 1.2154 2.2967 2.2967 5.2618 5.2618 5.3121 5.3121 5.9352 5.9352 6.1538 6.1538 7.1072 7.1072 8.8731 8.8731 9.6326 9.6326 10.4444 10.4444 11.7320 11.7320 k = 0.0326-0.0930 0.7190 ( 3114 PWs) bands (ev): -7.5100 -7.5100 -7.4948 -7.4948 -7.3601 -7.3601 -7.3476 -7.3476 -6.7024 -6.7024 -6.6262 -6.6262 -6.5355 -6.5355 -6.5110 -6.5110 -6.4126 -6.4126 -6.3573 -6.3573 -5.0603 -5.0603 -4.8728 -4.8728 1.2061 1.2061 2.2843 2.2843 5.2784 5.2784 5.3979 5.3979 5.9787 5.9787 6.1726 6.1726 7.1126 7.1126 8.7839 8.7839 9.6625 9.6625 10.4965 10.4965 11.6016 11.6016 k = 0.0261-0.0744 0.7190 ( 3110 PWs) bands (ev): -7.5092 -7.5092 -7.4953 -7.4953 -7.3588 -7.3588 -7.3480 -7.3480 -6.7014 -6.7014 -6.6265 -6.6265 -6.5320 -6.5320 -6.5124 -6.5124 -6.4123 -6.4123 -6.3580 -6.3580 -5.0693 -5.0693 -4.8790 -4.8790 1.1985 1.1985 2.2741 2.2741 5.2736 5.2736 5.5007 5.5007 5.9899 5.9899 6.2094 6.2094 7.1095 7.1095 8.7042 8.7042 9.6904 9.6904 10.5604 10.5604 11.4742 11.4742 k = 0.0195-0.0558 0.7190 ( 3116 PWs) bands (ev): -7.5085 -7.5085 -7.4959 -7.4959 -7.3576 -7.3576 -7.3485 -7.3485 -6.7005 -6.7005 -6.6268 -6.6268 -6.5288 -6.5288 -6.5140 -6.5140 -6.4121 -6.4121 -6.3586 -6.3586 -5.0764 -5.0764 -4.8838 -4.8838 1.1925 1.1925 2.2662 2.2662 5.2686 5.2686 5.5980 5.5980 5.9747 5.9747 6.2546 6.2546 7.1009 7.1009 8.6380 8.6380 9.7140 9.7140 10.6340 10.6340 11.3518 11.3518 k = 0.0130-0.0372 0.7190 ( 3118 PWs) bands (ev): -7.5079 -7.5079 -7.4963 -7.4963 -7.3567 -7.3567 -7.3489 -7.3489 -6.6999 -6.6999 -6.6271 -6.6271 -6.5257 -6.5257 -6.5158 -6.5158 -6.4119 -6.4119 -6.3590 -6.3590 -5.0815 -5.0815 -4.8872 -4.8872 1.1882 1.1882 2.2605 2.2605 5.2648 5.2648 5.6872 5.6872 5.9417 5.9417 6.2953 6.2953 7.0903 7.0903 8.5884 8.5884 9.7318 9.7318 10.7130 10.7130 11.2383 11.2383 k = 0.0065-0.0186 0.7190 ( 3118 PWs) bands (ev): -7.5076 -7.5076 -7.4966 -7.4966 -7.3560 -7.3560 -7.3492 -7.3492 -6.6995 -6.6995 -6.6272 -6.6272 -6.5230 -6.5230 -6.5178 -6.5178 -6.4117 -6.4117 -6.3593 -6.3593 -5.0845 -5.0845 -4.8893 -4.8893 1.1856 1.1856 2.2571 2.2571 5.2625 5.2625 5.7671 5.7671 5.8952 5.8952 6.3230 6.3230 7.0818 7.0818 8.5576 8.5576 9.7429 9.7429 10.7866 10.7866 11.1441 11.1441 k = 0.0000 0.0000 0.7190 ( 3124 PWs) bands (ev): -7.5075 -7.5075 -7.4967 -7.4967 -7.3558 -7.3558 -7.3493 -7.3493 -6.6994 -6.6994 -6.6272 -6.6272 -6.5210 -6.5210 -6.5196 -6.5196 -6.4117 -6.4117 -6.3594 -6.3594 -5.0855 -5.0855 -4.8900 -4.8900 1.1848 1.1848 2.2560 2.2560 5.2617 5.2617 5.8355 5.8355 5.8379 5.8379 6.3327 6.3327 7.0785 7.0785 8.5472 8.5472 9.7466 9.7466 10.8226 10.8226 11.1013 11.1013 k = 0.0000 0.0000 0.7190 ( 3124 PWs) bands (ev): -7.5075 -7.5075 -7.4967 -7.4967 -7.3558 -7.3558 -7.3493 -7.3493 -6.6994 -6.6994 -6.6272 -6.6272 -6.5210 -6.5210 -6.5196 -6.5196 -6.4117 -6.4117 -6.3594 -6.3594 -5.0855 -5.0855 -4.8900 -4.8900 1.1848 1.1848 2.2560 2.2560 5.2617 5.2617 5.8355 5.8355 5.8379 5.8379 6.3327 6.3327 7.0785 7.0785 8.5472 8.5472 9.7466 9.7466 10.8226 10.8226 11.1013 11.1013 k = 0.0187 0.0065 0.7190 ( 3121 PWs) bands (ev): -7.5090 -7.5090 -7.4950 -7.4950 -7.3560 -7.3560 -7.3493 -7.3493 -6.7000 -6.7000 -6.6267 -6.6267 -6.5218 -6.5218 -6.5188 -6.5188 -6.4119 -6.4119 -6.3592 -6.3592 -5.0861 -5.0861 -4.8893 -4.8893 1.1806 1.1806 2.2616 2.2616 5.2503 5.2503 5.8285 5.8285 5.8547 5.8547 6.3338 6.3338 7.0750 7.0750 8.5534 8.5534 9.7498 9.7498 10.8248 10.8248 11.1013 11.1013 k = 0.0373 0.0131 0.7190 ( 3117 PWs) bands (ev): -7.5122 -7.5122 -7.4913 -7.4913 -7.3563 -7.3563 -7.3491 -7.3491 -6.7016 -6.7016 -6.6252 -6.6252 -6.5230 -6.5230 -6.5176 -6.5176 -6.4125 -6.4125 -6.3588 -6.3588 -5.0879 -5.0879 -4.8870 -4.8870 1.1684 1.1684 2.2779 2.2779 5.2187 5.2187 5.8224 5.8224 5.8874 5.8874 6.3371 6.3371 7.0648 7.0648 8.5718 8.5718 9.7595 9.7595 10.8314 10.8314 11.1014 11.1014 k = 0.0560 0.0196 0.7190 ( 3113 PWs) bands (ev): -7.5158 -7.5158 -7.4870 -7.4870 -7.3569 -7.3569 -7.3488 -7.3488 -6.7041 -6.7041 -6.6229 -6.6229 -6.5242 -6.5242 -6.5163 -6.5163 -6.4134 -6.4134 -6.3581 -6.3581 -5.0908 -5.0908 -4.8832 -4.8832 1.1491 1.1491 2.3039 2.3039 5.1731 5.1731 5.8152 5.8152 5.9324 5.9324 6.3424 6.3424 7.0483 7.0483 8.6020 8.6020 9.7755 9.7755 10.8425 10.8425 11.1015 11.1015 k = 0.0747 0.0262 0.7190 ( 3108 PWs) bands (ev): -7.5195 -7.5195 -7.4824 -7.4824 -7.3577 -7.3577 -7.3486 -7.3486 -6.7074 -6.7074 -6.6201 -6.6201 -6.5254 -6.5254 -6.5149 -6.5149 -6.4146 -6.4146 -6.3572 -6.3572 -5.0948 -5.0948 -4.8780 -4.8780 1.1241 1.1241 2.3378 2.3378 5.1192 5.1192 5.8060 5.8060 5.9846 5.9846 6.3496 6.3496 7.0265 7.0265 8.6431 8.6431 9.7977 9.7977 10.8579 10.8579 11.1015 11.1015 k = 0.0934 0.0327 0.7190 ( 3113 PWs) bands (ev): -7.5231 -7.5231 -7.4776 -7.4776 -7.3585 -7.3585 -7.3483 -7.3483 -6.7110 -6.7110 -6.6170 -6.6170 -6.5265 -6.5265 -6.5136 -6.5136 -6.4159 -6.4159 -6.3562 -6.3562 -5.1000 -5.1000 -4.8713 -4.8713 1.0950 1.0950 2.3778 2.3778 5.0617 5.0617 5.7950 5.7950 6.0397 6.0397 6.3585 6.3585 7.0005 7.0005 8.6944 8.6944 9.8260 9.8260 10.8776 10.8776 11.1012 11.1012 k = 0.1120 0.0392 0.7190 ( 3118 PWs) bands (ev): -7.5266 -7.5266 -7.4726 -7.4726 -7.3594 -7.3594 -7.3482 -7.3482 -6.7150 -6.7150 -6.6140 -6.6140 -6.5275 -6.5275 -6.5122 -6.5122 -6.4173 -6.4173 -6.3552 -6.3552 -5.1063 -5.1063 -4.8633 -4.8633 1.0631 1.0631 2.4218 2.4218 5.0038 5.0038 5.7823 5.7823 6.0946 6.0946 6.3690 6.3690 6.9714 6.9714 8.7549 8.7549 9.8602 9.8602 10.9013 10.9013 11.1005 11.1005 k = 0.1307 0.0458 0.7190 ( 3116 PWs) bands (ev): -7.5299 -7.5299 -7.4676 -7.4676 -7.3605 -7.3605 -7.3480 -7.3480 -6.7191 -6.7191 -6.6112 -6.6112 -6.5283 -6.5283 -6.5107 -6.5107 -6.4188 -6.4188 -6.3541 -6.3541 -5.1137 -5.1137 -4.8539 -4.8539 1.0299 1.0299 2.4678 2.4678 4.9481 4.9481 5.7682 5.7682 6.1469 6.1469 6.3807 6.3807 6.9404 6.9404 8.8237 8.8237 9.9000 9.9000 10.9290 10.9290 11.0992 11.0992 k = 0.1494 0.0523 0.7190 ( 3116 PWs) bands (ev): -7.5330 -7.5330 -7.4625 -7.4625 -7.3615 -7.3615 -7.3480 -7.3480 -6.7232 -6.7232 -6.6088 -6.6088 -6.5289 -6.5289 -6.5091 -6.5091 -6.4202 -6.4202 -6.3530 -6.3530 -5.1221 -5.1221 -4.8431 -4.8431 0.9963 0.9963 2.5140 2.5140 4.8965 4.8965 5.7530 5.7530 6.1949 6.1949 6.3934 6.3934 6.9090 6.9090 8.8998 8.8998 9.9448 9.9448 10.9601 10.9601 11.0973 11.0973 k = 0.1680 0.0588 0.7190 ( 3116 PWs) bands (ev): -7.5360 -7.5360 -7.4574 -7.4574 -7.3626 -7.3626 -7.3481 -7.3481 -6.7273 -6.7273 -6.6069 -6.6069 -6.5292 -6.5292 -6.5074 -6.5074 -6.4214 -6.4214 -6.3521 -6.3521 -5.1316 -5.1316 -4.8312 -4.8312 0.9635 0.9635 2.5585 2.5585 4.8506 4.8506 5.7369 5.7369 6.2372 6.2372 6.4064 6.4064 6.8784 6.8784 8.9826 8.9826 9.9942 9.9942 10.9939 10.9939 11.0952 11.0952 k = 0.1867 0.0654 0.7190 ( 3117 PWs) bands (ev): -7.5388 -7.5388 -7.4523 -7.4523 -7.3637 -7.3637 -7.3482 -7.3482 -6.7312 -6.7312 -6.6058 -6.6058 -6.5292 -6.5292 -6.5056 -6.5056 -6.4224 -6.4224 -6.3512 -6.3512 -5.1420 -5.1420 -4.8180 -4.8180 0.9320 0.9320 2.5998 2.5998 4.8118 4.8118 5.7203 5.7203 6.2733 6.2733 6.4187 6.4187 6.8501 6.8501 9.0710 9.0710 10.0474 10.0474 11.0276 11.0276 11.0951 11.0951 k = 0.2054 0.0719 0.7190 ( 3115 PWs) bands (ev): -7.5414 -7.5414 -7.4472 -7.4472 -7.3648 -7.3648 -7.3485 -7.3485 -6.7349 -6.7349 -6.6054 -6.6054 -6.5289 -6.5289 -6.5036 -6.5036 -6.4232 -6.4232 -6.3505 -6.3505 -5.1534 -5.1534 -4.8038 -4.8038 0.9025 0.9025 2.6363 2.6363 4.7811 4.7811 5.7034 5.7034 6.3029 6.3029 6.4289 6.4289 6.8255 6.8255 9.1644 9.1644 10.1034 10.1034 11.0503 11.0503 11.1071 11.1071 k = 0.2240 0.0785 0.7190 ( 3120 PWs) bands (ev): -7.5439 -7.5439 -7.4421 -7.4421 -7.3659 -7.3659 -7.3489 -7.3489 -6.7384 -6.7384 -6.6056 -6.6056 -6.5285 -6.5285 -6.5016 -6.5016 -6.4238 -6.4238 -6.3500 -6.3500 -5.1657 -5.1657 -4.7885 -4.7885 0.8756 0.8756 2.6668 2.6668 4.7594 4.7594 5.6863 5.6863 6.3265 6.3265 6.4354 6.4354 6.8062 6.8062 9.2619 9.2619 10.1608 10.1608 11.0517 11.0517 11.1411 11.1411 k = 0.2427 0.0850 0.7190 ( 3118 PWs) bands (ev): -7.5461 -7.5461 -7.4370 -7.4370 -7.3670 -7.3670 -7.3495 -7.3495 -6.7417 -6.7417 -6.6066 -6.6066 -6.5278 -6.5278 -6.4995 -6.4995 -6.4240 -6.4240 -6.3496 -6.3496 -5.1789 -5.1789 -4.7723 -4.7723 0.8516 0.8516 2.6903 2.6903 4.7472 4.7472 5.6694 5.6694 6.3444 6.3444 6.4371 6.4371 6.7929 6.7929 9.3626 9.3626 10.2180 10.2180 11.0417 11.0417 11.1860 11.1860 k = 0.2614 0.0915 0.7190 ( 3126 PWs) bands (ev): -7.5482 -7.5482 -7.4321 -7.4321 -7.3681 -7.3681 -7.3502 -7.3502 -6.7447 -6.7447 -6.6081 -6.6081 -6.5270 -6.5270 -6.4973 -6.4973 -6.4239 -6.4239 -6.3494 -6.3494 -5.1929 -5.1929 -4.7552 -4.7552 0.8309 0.8309 2.7061 2.7061 4.7443 4.7443 5.6528 5.6528 6.3558 6.3558 6.4350 6.4350 6.7857 6.7857 9.4655 9.4655 10.2729 10.2729 11.0254 11.0254 11.2355 11.2355 k = 0.2801 0.0981 0.7190 ( 3127 PWs) bands (ev): -7.5501 -7.5501 -7.4272 -7.4272 -7.3691 -7.3691 -7.3510 -7.3510 -6.7474 -6.7474 -6.6100 -6.6100 -6.5261 -6.5261 -6.4952 -6.4952 -6.4235 -6.4235 -6.3493 -6.3493 -5.2077 -5.2077 -4.7372 -4.7372 0.8138 0.8138 2.7140 2.7140 4.7504 4.7504 5.6367 5.6367 6.3590 6.3590 6.4326 6.4326 6.7836 6.7836 9.5693 9.5693 10.3230 10.3230 11.0031 11.0031 11.2873 11.2873 k = 0.2987 0.1046 0.7190 ( 3122 PWs) bands (ev): -7.5518 -7.5518 -7.4224 -7.4224 -7.3701 -7.3701 -7.3520 -7.3520 -6.7498 -6.7498 -6.6123 -6.6123 -6.5253 -6.5253 -6.4932 -6.4932 -6.4228 -6.4228 -6.3495 -6.3495 -5.2231 -5.2231 -4.7186 -4.7186 0.8004 0.8004 2.7143 2.7143 4.7645 4.7645 5.6212 5.6212 6.3517 6.3517 6.4336 6.4336 6.7853 6.7853 9.6727 9.6727 10.3657 10.3657 10.9734 10.9734 11.3405 11.3405 k = 0.3174 0.1112 0.7190 ( 3124 PWs) bands (ev): -7.5533 -7.5533 -7.4178 -7.4178 -7.3710 -7.3710 -7.3532 -7.3532 -6.7519 -6.7519 -6.6147 -6.6147 -6.5244 -6.5244 -6.4912 -6.4912 -6.4218 -6.4218 -6.3497 -6.3497 -5.2392 -5.2392 -4.6993 -4.6993 0.7910 0.7910 2.7073 2.7073 4.7850 4.7850 5.6066 5.6066 6.3357 6.3357 6.4387 6.4387 6.7895 6.7895 9.7736 9.7736 10.3989 10.3989 10.9348 10.9348 11.3940 11.3940 k = 0.5000 0.1751-0.1960 ( 3116 PWs) bands (ev): -7.5634 -7.5634 -7.3821 -7.3821 -7.3738 -7.3738 -7.3650 -7.3650 -6.7358 -6.7358 -6.6289 -6.6289 -6.5209 -6.5209 -6.4835 -6.4835 -6.4056 -6.4056 -6.3498 -6.3498 -5.7623 -5.7623 -4.4156 -4.4156 1.3346 1.3346 3.5302 3.5302 4.7220 4.7220 4.9039 4.9039 6.1885 6.1885 6.8224 6.8224 7.1429 7.1429 8.5149 8.5149 10.3009 10.3009 10.5517 10.5517 11.8915 11.8915 k = 0.5065 0.1565-0.1960 ( 3112 PWs) bands (ev): -7.5634 -7.5634 -7.3821 -7.3821 -7.3739 -7.3739 -7.3649 -7.3649 -6.7359 -6.7359 -6.6289 -6.6289 -6.5209 -6.5209 -6.4836 -6.4836 -6.4059 -6.4059 -6.3497 -6.3497 -5.7609 -5.7609 -4.4155 -4.4155 1.3334 1.3334 3.5303 3.5303 4.7209 4.7209 4.9028 4.9028 6.1886 6.1886 6.8191 6.8191 7.1410 7.1410 8.5204 8.5204 10.3027 10.3027 10.5559 10.5559 11.8925 11.8925 k = 0.5130 0.1379-0.1960 ( 3114 PWs) bands (ev): -7.5633 -7.5633 -7.3822 -7.3822 -7.3743 -7.3743 -7.3646 -7.3646 -6.7361 -6.7361 -6.6288 -6.6288 -6.5210 -6.5210 -6.4836 -6.4836 -6.4070 -6.4070 -6.3495 -6.3495 -5.7569 -5.7569 -4.4152 -4.4152 1.3300 1.3300 3.5309 3.5309 4.7174 4.7174 4.8993 4.8993 6.1889 6.1889 6.8095 6.8095 7.1356 7.1356 8.5365 8.5365 10.3081 10.3081 10.5685 10.5685 11.8954 11.8954 k = 0.5196 0.1193-0.1960 ( 3114 PWs) bands (ev): -7.5632 -7.5632 -7.3823 -7.3823 -7.3749 -7.3749 -7.3643 -7.3643 -6.7364 -6.7364 -6.6287 -6.6287 -6.5211 -6.5211 -6.4837 -6.4837 -6.4086 -6.4086 -6.3491 -6.3491 -5.7502 -5.7502 -4.4146 -4.4146 1.3243 1.3243 3.5317 3.5317 4.7118 4.7118 4.8936 4.8936 6.1892 6.1892 6.7939 6.7939 7.1270 7.1270 8.5627 8.5627 10.3167 10.3167 10.5893 10.5893 11.9000 11.9000 k = 0.5261 0.1006-0.1960 ( 3108 PWs) bands (ev): -7.5631 -7.5631 -7.3825 -7.3825 -7.3755 -7.3755 -7.3638 -7.3638 -6.7368 -6.7368 -6.6285 -6.6285 -6.5213 -6.5213 -6.4839 -6.4839 -6.4108 -6.4108 -6.3485 -6.3485 -5.7410 -5.7410 -4.4139 -4.4139 1.3163 1.3163 3.5326 3.5326 4.7043 4.7043 4.8858 4.8858 6.1895 6.1895 6.7730 6.7730 7.1154 7.1154 8.5979 8.5979 10.3283 10.3283 10.6183 10.6183 11.9062 11.9062 k = 0.5326 0.0820-0.1960 ( 3100 PWs) bands (ev): -7.5630 -7.5630 -7.3828 -7.3828 -7.3763 -7.3763 -7.3633 -7.3633 -6.7374 -6.7374 -6.6283 -6.6283 -6.5216 -6.5216 -6.4841 -6.4841 -6.4135 -6.4135 -6.3479 -6.3479 -5.7293 -5.7293 -4.4130 -4.4130 1.3061 1.3061 3.5336 3.5336 4.6952 4.6952 4.8761 4.8761 6.1896 6.1896 6.7477 6.7477 7.1014 7.1014 8.6411 8.6411 10.3426 10.3426 10.6550 10.6550 11.9136 11.9136 k = 0.5391 0.0634-0.1960 ( 3100 PWs) bands (ev): -7.5628 -7.5628 -7.3831 -7.3831 -7.3772 -7.3772 -7.3628 -7.3628 -6.7380 -6.7380 -6.6280 -6.6280 -6.5219 -6.5219 -6.4844 -6.4844 -6.4165 -6.4165 -6.3472 -6.3472 -5.7151 -5.7151 -4.4119 -4.4119 1.2938 1.2938 3.5343 3.5343 4.6848 4.6848 4.8648 4.8648 6.1892 6.1892 6.7190 6.7190 7.0851 7.0851 8.6910 8.6910 10.3592 10.3592 10.6986 10.6986 11.9217 11.9217 k = 0.5456 0.0448-0.1960 ( 3102 PWs) bands (ev): -7.5625 -7.5625 -7.3837 -7.3837 -7.3780 -7.3780 -7.3623 -7.3623 -6.7388 -6.7388 -6.6277 -6.6277 -6.5222 -6.5222 -6.4849 -6.4849 -6.4197 -6.4197 -6.3463 -6.3463 -5.6987 -5.6987 -4.4108 -4.4108 1.2793 1.2793 3.5344 3.5344 4.6735 4.6735 4.8522 4.8522 6.1881 6.1881 6.6881 6.6881 7.0668 7.0668 8.7464 8.7464 10.3782 10.3782 10.7483 10.7483 11.9300 11.9300 k = 0.5522 0.0262-0.1960 ( 3106 PWs) bands (ev): -7.5623 -7.5623 -7.3844 -7.3844 -7.3787 -7.3787 -7.3618 -7.3618 -6.7396 -6.7396 -6.6273 -6.6273 -6.5226 -6.5226 -6.4854 -6.4854 -6.4231 -6.4231 -6.3455 -6.3455 -5.6800 -5.6800 -4.4097 -4.4097 1.2629 1.2629 3.5338 3.5338 4.6617 4.6617 4.8387 4.8387 6.1862 6.1862 6.6560 6.6560 7.0465 7.0465 8.8065 8.8065 10.3992 10.3992 10.8026 10.8026 11.9378 11.9378 k = 0.5587 0.0076-0.1960 ( 3106 PWs) bands (ev): -7.5619 -7.5619 -7.3853 -7.3853 -7.3794 -7.3794 -7.3613 -7.3613 -6.7405 -6.7405 -6.6270 -6.6270 -6.5231 -6.5231 -6.4862 -6.4862 -6.4264 -6.4264 -6.3445 -6.3445 -5.6593 -5.6593 -4.4086 -4.4086 1.2445 1.2445 3.5319 3.5319 4.6500 4.6500 4.8247 4.8247 6.1832 6.1832 6.6237 6.6237 7.0243 7.0243 8.8702 8.8702 10.4223 10.4223 10.8598 10.8598 11.9443 11.9443 k = 0.5652-0.0111-0.1960 ( 3106 PWs) bands (ev): -7.5616 -7.5616 -7.3864 -7.3864 -7.3799 -7.3799 -7.3608 -7.3608 -6.7414 -6.7414 -6.6266 -6.6266 -6.5236 -6.5236 -6.4871 -6.4871 -6.4297 -6.4297 -6.3435 -6.3435 -5.6365 -5.6365 -4.4077 -4.4077 1.2244 1.2244 3.5282 3.5282 4.6386 4.6386 4.8108 4.8108 6.1791 6.1791 6.5918 6.5918 7.0003 7.0003 8.9370 8.9370 10.4475 10.4475 10.9179 10.9179 11.9484 11.9484 k = 0.5717-0.0297-0.1960 ( 3114 PWs) bands (ev): -7.5612 -7.5612 -7.3878 -7.3878 -7.3804 -7.3804 -7.3604 -7.3604 -6.7424 -6.7424 -6.6261 -6.6261 -6.5242 -6.5242 -6.4882 -6.4882 -6.4328 -6.4328 -6.3425 -6.3425 -5.6119 -5.6119 -4.4069 -4.4069 1.2028 1.2028 3.5224 3.5224 4.6281 4.6281 4.7977 4.7977 6.1736 6.1736 6.5611 6.5611 6.9744 6.9744 9.0060 9.0060 10.4747 10.4747 10.9746 10.9746 11.9491 11.9491 k = 0.5782-0.0483-0.1960 ( 3112 PWs) bands (ev): -7.5608 -7.5608 -7.3892 -7.3892 -7.3808 -7.3808 -7.3600 -7.3600 -6.7434 -6.7434 -6.6257 -6.6257 -6.5249 -6.5249 -6.4895 -6.4895 -6.4356 -6.4356 -6.3414 -6.3414 -5.5855 -5.5855 -4.4064 -4.4064 1.1797 1.1797 3.5139 3.5139 4.6190 4.6190 4.7858 4.7858 6.1666 6.1666 6.5320 6.5320 6.9466 6.9466 9.0770 9.0770 10.5039 10.5039 11.0272 11.0272 11.9450 11.9450 k = 0.5848-0.0669-0.1960 ( 3118 PWs) bands (ev): -7.5604 -7.5604 -7.3909 -7.3909 -7.3811 -7.3811 -7.3595 -7.3595 -6.7444 -6.7444 -6.6252 -6.6252 -6.5258 -6.5258 -6.4910 -6.4910 -6.4382 -6.4382 -6.3403 -6.3403 -5.5575 -5.5575 -4.4063 -4.4063 1.1555 1.1555 3.5021 3.5021 4.6115 4.6115 4.7760 4.7760 6.1580 6.1580 6.5047 6.5047 6.9171 6.9171 9.1495 9.1495 10.5351 10.5351 11.0731 11.0731 11.9341 11.9341 k = 0.5913-0.0855-0.1960 ( 3118 PWs) bands (ev): -7.5599 -7.5599 -7.3926 -7.3926 -7.3815 -7.3815 -7.3591 -7.3591 -6.7454 -6.7454 -6.6247 -6.6247 -6.5267 -6.5267 -6.4926 -6.4926 -6.4403 -6.4403 -6.3392 -6.3392 -5.5279 -5.5279 -4.4066 -4.4066 1.1303 1.1303 3.4866 3.4866 4.6063 4.6063 4.7688 4.7688 6.1477 6.1477 6.4794 6.4794 6.8860 6.8860 9.2232 9.2232 10.5680 10.5680 11.1095 11.1095 11.9140 11.9140 k = 0.5978-0.1041-0.1960 ( 3118 PWs) bands (ev): -7.5594 -7.5594 -7.3945 -7.3945 -7.3818 -7.3818 -7.3587 -7.3587 -6.7465 -6.7465 -6.6242 -6.6242 -6.5278 -6.5278 -6.4943 -6.4943 -6.4422 -6.4422 -6.3380 -6.3380 -5.4968 -5.4968 -4.4075 -4.4075 1.1045 1.1045 3.4669 3.4669 4.6037 4.6037 4.7646 4.7646 6.1355 6.1355 6.4562 6.4562 6.8532 6.8532 9.2979 9.2979 10.6027 10.6027 11.1339 11.1339 11.8808 11.8808 k = 0.6043-0.1227-0.1960 ( 3120 PWs) bands (ev): -7.5588 -7.5588 -7.3964 -7.3964 -7.3822 -7.3822 -7.3584 -7.3584 -6.7475 -6.7475 -6.6236 -6.6236 -6.5290 -6.5290 -6.4961 -6.4961 -6.4436 -6.4436 -6.3369 -6.3369 -5.4644 -5.4644 -4.4092 -4.4092 1.0784 1.0784 3.4427 3.4427 4.6042 4.6042 4.7639 4.7639 6.1213 6.1213 6.4350 6.4350 6.8190 6.8190 9.3734 9.3734 10.6387 10.6387 11.1443 11.1443 11.8293 11.8293 k = 0.6108-0.1414-0.1960 ( 3118 PWs) bands (ev): -7.5582 -7.5582 -7.3984 -7.3984 -7.3826 -7.3826 -7.3580 -7.3580 -6.7484 -6.7484 -6.6231 -6.6231 -6.5304 -6.5304 -6.4979 -6.4979 -6.4448 -6.4448 -6.3357 -6.3357 -5.4306 -5.4306 -4.4116 -4.4116 1.0522 1.0522 3.4139 3.4139 4.6081 4.6081 4.7669 4.7669 6.1049 6.1049 6.4159 6.4159 6.7835 6.7835 9.4496 9.4496 10.6758 10.6758 11.1393 11.1393 11.7552 11.7552 k = 0.6174-0.1600-0.1960 ( 3122 PWs) bands (ev): -7.5576 -7.5576 -7.4005 -7.4005 -7.3829 -7.3829 -7.3577 -7.3577 -6.7494 -6.7494 -6.6225 -6.6225 -6.5320 -6.5320 -6.4996 -6.4996 -6.4456 -6.4456 -6.3345 -6.3345 -5.3956 -5.3956 -4.4149 -4.4149 1.0263 1.0263 3.3805 3.3805 4.6158 4.6158 4.7736 4.7736 6.0860 6.0860 6.3988 6.3988 6.7470 6.7470 9.5264 9.5264 10.7130 10.7130 11.1186 11.1186 11.6605 11.6605 k = 0.6239-0.1786-0.1960 ( 3122 PWs) bands (ev): -7.5569 -7.5569 -7.4026 -7.4026 -7.3833 -7.3833 -7.3573 -7.3573 -6.7503 -6.7503 -6.6220 -6.6220 -6.5339 -6.5339 -6.5012 -6.5012 -6.4463 -6.4463 -6.3333 -6.3333 -5.3596 -5.3596 -4.4192 -4.4192 1.0010 1.0010 3.3428 3.3428 4.6273 4.6273 4.7841 4.7841 6.0644 6.0644 6.3838 6.3838 6.7095 6.7095 9.6036 9.6036 10.7488 10.7488 11.0832 11.0832 11.5532 11.5532 k = 0.6304-0.1972-0.1960 ( 3114 PWs) bands (ev): -7.5562 -7.5562 -7.4049 -7.4049 -7.3838 -7.3838 -7.3570 -7.3570 -6.7511 -6.7511 -6.6214 -6.6214 -6.5358 -6.5358 -6.5026 -6.5026 -6.4467 -6.4467 -6.3322 -6.3322 -5.3224 -5.3224 -4.4247 -4.4247 0.9767 0.9767 3.3010 3.3010 4.6426 4.6426 4.7981 4.7981 6.0400 6.0400 6.3707 6.3707 6.6714 6.6714 9.6811 9.6811 10.7792 10.7792 11.0371 11.0371 11.4411 11.4411 k = 0.6369-0.2158-0.1960 ( 3116 PWs) bands (ev): -7.5555 -7.5555 -7.4071 -7.4071 -7.3842 -7.3842 -7.3566 -7.3566 -6.7519 -6.7519 -6.6208 -6.6208 -6.5380 -6.5380 -6.5038 -6.5038 -6.4469 -6.4469 -6.3311 -6.3311 -5.2844 -5.2844 -4.4314 -4.4314 0.9538 0.9538 3.2557 3.2557 4.6617 4.6617 4.8155 4.8155 6.0127 6.0127 6.3592 6.3592 6.6328 6.6328 9.7586 9.7586 10.7940 10.7940 10.9903 10.9903 11.3305 11.3305 k = 0.6434-0.2344-0.1960 ( 3116 PWs) bands (ev): -7.5547 -7.5547 -7.4094 -7.4094 -7.3847 -7.3847 -7.3563 -7.3563 -6.7526 -6.7526 -6.6203 -6.6203 -6.5403 -6.5403 -6.5048 -6.5048 -6.4470 -6.4470 -6.3300 -6.3300 -5.2455 -5.2455 -4.4395 -4.4395 0.9325 0.9325 3.2073 3.2073 4.6842 4.6842 4.8361 4.8361 5.9829 5.9829 6.3491 6.3491 6.5940 6.5940 9.8357 9.8357 10.7725 10.7725 10.9605 10.9605 11.2293 11.2293 k = 0.6499-0.2531-0.1960 ( 3126 PWs) bands (ev): -7.5538 -7.5538 -7.4118 -7.4118 -7.3852 -7.3852 -7.3559 -7.3559 -6.7532 -6.7532 -6.6197 -6.6197 -6.5426 -6.5426 -6.5057 -6.5057 -6.4469 -6.4469 -6.3289 -6.3289 -5.2058 -5.2058 -4.4490 -4.4490 0.9132 0.9132 3.1566 3.1566 4.7097 4.7097 4.8594 4.8594 5.9508 5.9508 6.3400 6.3400 6.5554 6.5554 9.9117 9.9117 10.7090 10.7090 10.9410 10.9410 11.1545 11.1545 k = 0.6565-0.2717-0.1960 ( 3128 PWs) bands (ev): -7.5530 -7.5530 -7.4142 -7.4142 -7.3857 -7.3857 -7.3556 -7.3556 -6.7538 -6.7538 -6.6191 -6.6191 -6.5451 -6.5451 -6.5064 -6.5064 -6.4468 -6.4468 -6.3279 -6.3279 -5.1654 -5.1654 -4.4601 -4.4601 0.8962 0.8962 3.1040 3.1040 4.7376 4.7376 4.8852 4.8852 5.9170 5.9170 6.3312 6.3312 6.5173 6.5173 9.9855 9.9855 10.6216 10.6216 10.8930 10.8930 11.1313 11.1313 k = 0.6630-0.2903-0.1960 ( 3128 PWs) bands (ev): -7.5520 -7.5520 -7.4166 -7.4166 -7.3863 -7.3863 -7.3552 -7.3552 -6.7543 -6.7543 -6.6185 -6.6185 -6.5475 -6.5475 -6.5070 -6.5070 -6.4465 -6.4465 -6.3269 -6.3269 -5.1245 -5.1245 -4.4728 -4.4728 0.8818 0.8818 3.0502 3.0502 4.7671 4.7671 4.9131 4.9131 5.8824 5.8824 6.3217 6.3217 6.4804 6.4804 10.0544 10.0544 10.5233 10.5233 10.8174 10.8174 11.1508 11.1508 k = 0.6695-0.3089-0.1960 ( 3126 PWs) bands (ev): -7.5511 -7.5511 -7.4190 -7.4190 -7.3869 -7.3869 -7.3549 -7.3549 -6.7547 -6.7547 -6.6179 -6.6179 -6.5500 -6.5500 -6.5074 -6.5074 -6.4462 -6.4462 -6.3260 -6.3260 -5.0830 -5.0830 -4.4872 -4.4872 0.8703 0.8703 2.9958 2.9958 4.7971 4.7971 4.9429 4.9429 5.8479 5.8479 6.3103 6.3103 6.4460 6.4460 10.1134 10.1134 10.4207 10.4207 10.7394 10.7394 11.1885 11.1885 k = 0.6760-0.3275-0.1960 ( 3124 PWs) bands (ev): -7.5501 -7.5501 -7.4215 -7.4215 -7.3874 -7.3874 -7.3545 -7.3545 -6.7551 -6.7551 -6.6173 -6.6173 -6.5524 -6.5524 -6.5078 -6.5078 -6.4458 -6.4458 -6.3252 -6.3252 -5.0412 -5.0412 -4.5034 -4.5034 0.8620 0.8620 2.9413 2.9413 4.8261 4.8261 4.9745 4.9745 5.8147 5.8147 6.2952 6.2952 6.4155 6.4155 10.1500 10.1500 10.3211 10.3211 10.6767 10.6767 11.2333 11.2333 k = 0.6825-0.3461-0.1960 ( 3132 PWs) bands (ev): -7.5490 -7.5490 -7.4239 -7.4239 -7.3880 -7.3880 -7.3542 -7.3542 -6.7554 -6.7554 -6.6167 -6.6167 -6.5547 -6.5547 -6.5081 -6.5081 -6.4454 -6.4454 -6.3244 -6.3244 -4.9990 -4.9990 -4.5214 -4.5214 0.8571 0.8571 2.8872 2.8872 4.8520 4.8520 5.0081 5.0081 5.7842 5.7842 6.2749 6.2749 6.3904 6.3904 10.1343 10.1343 10.2434 10.2434 10.6452 10.6452 11.2807 11.2807 k = 0.6891-0.3648-0.1960 ( 3134 PWs) bands (ev): -7.5479 -7.5479 -7.4264 -7.4264 -7.3887 -7.3887 -7.3538 -7.3538 -6.7556 -6.7556 -6.6162 -6.6162 -6.5570 -6.5570 -6.5083 -6.5083 -6.4450 -6.4450 -6.3237 -6.3237 -4.9567 -4.9567 -4.5412 -4.5412 0.8557 0.8557 2.8340 2.8340 4.8726 4.8726 5.0440 5.0440 5.7579 5.7579 6.2490 6.2490 6.3712 6.3712 10.0535 10.0535 10.1936 10.1936 10.6550 10.6550 11.3236 11.3236 k = 0.6956-0.3834-0.1960 ( 3138 PWs) bands (ev): -7.5467 -7.5467 -7.4288 -7.4288 -7.3893 -7.3893 -7.3534 -7.3534 -6.7557 -6.7557 -6.6156 -6.6156 -6.5592 -6.5592 -6.5085 -6.5085 -6.4445 -6.4445 -6.3231 -6.3231 -4.9143 -4.9143 -4.5629 -4.5629 0.8581 0.8581 2.7821 2.7821 4.8853 4.8853 5.0826 5.0826 5.7370 5.7370 6.2194 6.2194 6.3564 6.3564 9.9511 9.9511 10.1365 10.1365 10.6994 10.6994 11.2906 11.2906 k = 0.7021-0.4020-0.1960 ( 3138 PWs) bands (ev): -7.5455 -7.5455 -7.4312 -7.4312 -7.3899 -7.3899 -7.3531 -7.3531 -6.7558 -6.7558 -6.6151 -6.6151 -6.5613 -6.5613 -6.5087 -6.5087 -6.4439 -6.4439 -6.3227 -6.3227 -4.8719 -4.8719 -4.5864 -4.5864 0.8644 0.8644 2.7319 2.7319 4.8882 4.8882 5.1241 5.1241 5.7223 5.7223 6.1885 6.1885 6.3440 6.3440 9.8448 9.8448 10.0689 10.0689 10.7651 10.7651 11.2215 11.2215 k = 0.7086-0.4206-0.1960 ( 3136 PWs) bands (ev): -7.5443 -7.5443 -7.4337 -7.4337 -7.3905 -7.3905 -7.3527 -7.3527 -6.7557 -6.7557 -6.6145 -6.6145 -6.5633 -6.5633 -6.5088 -6.5088 -6.4434 -6.4434 -6.3222 -6.3222 -4.8297 -4.8297 -4.6117 -4.6117 0.8747 0.8747 2.6837 2.6837 4.8805 4.8805 5.1682 5.1682 5.7134 5.7134 6.1591 6.1591 6.3326 6.3326 9.7389 9.7389 9.9969 9.9969 10.8423 10.8423 11.1536 11.1536 k = 0.7151-0.4392-0.1960 ( 3138 PWs) bands (ev): -7.5430 -7.5430 -7.4360 -7.4360 -7.3911 -7.3911 -7.3523 -7.3523 -6.7556 -6.7556 -6.6140 -6.6140 -6.5652 -6.5652 -6.5089 -6.5089 -6.4428 -6.4428 -6.3219 -6.3219 -4.7877 -4.7877 -4.6388 -4.6388 0.8891 0.8891 2.6379 2.6379 4.8620 4.8620 5.2143 5.2143 5.7085 5.7085 6.1339 6.1339 6.3210 6.3210 9.6347 9.6347 9.9249 9.9249 10.9248 10.9248 11.0904 11.0904 k = 0.2849-0.8134-0.0000 ( 3138 PWs) bands (ev): -7.5430 -7.5430 -7.4360 -7.4360 -7.3911 -7.3911 -7.3523 -7.3523 -6.7556 -6.7556 -6.6140 -6.6140 -6.5652 -6.5652 -6.5089 -6.5089 -6.4428 -6.4428 -6.3219 -6.3219 -4.7877 -4.7877 -4.6388 -4.6388 0.8891 0.8891 2.6379 2.6379 4.8620 4.8620 5.2143 5.2143 5.7085 5.7085 6.1339 6.1339 6.3210 6.3210 9.6347 9.6347 9.9249 9.9249 10.9248 10.9248 11.0904 11.0904 k = 0.2784-0.7949-0.0000 ( 3134 PWs) bands (ev): -7.5417 -7.5417 -7.4384 -7.4384 -7.3916 -7.3916 -7.3519 -7.3519 -6.7554 -6.7554 -6.6136 -6.6136 -6.5669 -6.5669 -6.5090 -6.5090 -6.4423 -6.4423 -6.3218 -6.3218 -4.7465 -4.7465 -4.6672 -4.6672 0.9075 0.9075 2.5951 2.5951 4.8338 4.8338 5.2616 5.2616 5.7047 5.7047 6.1161 6.1161 6.3088 6.3088 9.5340 9.5340 9.8556 9.8556 10.9886 10.9886 11.0538 11.0538 k = 0.2719-0.7764-0.0000 ( 3136 PWs) bands (ev): -7.5403 -7.5403 -7.4407 -7.4407 -7.3922 -7.3922 -7.3515 -7.3515 -6.7552 -6.7552 -6.6131 -6.6131 -6.5685 -6.5685 -6.5091 -6.5091 -6.4417 -6.4417 -6.3217 -6.3217 -4.7090 -4.7090 -4.6942 -4.6942 0.9300 0.9300 2.5551 2.5551 4.7972 4.7972 5.3097 5.3097 5.6981 5.6981 6.1082 6.1082 6.2956 6.2956 9.4365 9.4365 9.7898 9.7898 10.9554 10.9554 11.1214 11.1214 k = 0.2654-0.7579-0.0000 ( 3134 PWs) bands (ev): -7.5390 -7.5390 -7.4429 -7.4429 -7.3927 -7.3927 -7.3512 -7.3512 -6.7548 -6.7548 -6.6127 -6.6127 -6.5700 -6.5700 -6.5092 -6.5092 -6.4411 -6.4411 -6.3217 -6.3217 -4.7307 -4.7307 -4.6640 -4.6640 0.9565 0.9565 2.5184 2.5184 4.7536 4.7536 5.3582 5.3582 5.6853 5.6853 6.1124 6.1124 6.2814 6.2814 9.3430 9.3430 9.7284 9.7284 10.9035 10.9035 11.2144 11.2144 k = 0.2590-0.7394-0.0000 ( 3130 PWs) bands (ev): -7.5375 -7.5375 -7.4451 -7.4451 -7.3932 -7.3932 -7.3508 -7.3508 -6.7544 -6.7544 -6.6123 -6.6123 -6.5714 -6.5714 -6.5093 -6.5093 -6.4405 -6.4405 -6.3218 -6.3218 -4.7638 -4.7638 -4.6245 -4.6245 0.9871 0.9871 2.4849 2.4849 4.7045 4.7045 5.4064 5.4064 5.6647 5.6647 6.1284 6.1284 6.2667 6.2667 9.2539 9.2539 9.6720 9.6720 10.8537 10.8537 11.3116 11.3116 k = 0.2525-0.7210-0.0000 ( 3128 PWs) bands (ev): -7.5361 -7.5361 -7.4473 -7.4473 -7.3936 -7.3936 -7.3504 -7.3504 -6.7539 -6.7539 -6.6120 -6.6120 -6.5726 -6.5726 -6.5094 -6.5094 -6.4399 -6.4399 -6.3220 -6.3220 -4.7985 -4.7985 -4.5856 -4.5856 1.0216 1.0216 2.4551 2.4551 4.6512 4.6512 5.4539 5.4539 5.6367 5.6367 6.1526 6.1526 6.2532 6.2532 9.1700 9.1700 9.6210 9.6210 10.8076 10.8076 11.4113 11.4113 k = 0.2460-0.7025-0.0000 ( 3126 PWs) bands (ev): -7.5346 -7.5346 -7.4494 -7.4494 -7.3940 -7.3940 -7.3501 -7.3501 -6.7533 -6.7533 -6.6117 -6.6117 -6.5738 -6.5738 -6.5096 -6.5096 -6.4392 -6.4392 -6.3224 -6.3224 -4.8345 -4.8345 -4.5476 -4.5476 1.0600 1.0600 2.4289 2.4289 4.5947 4.5947 5.5001 5.5001 5.6027 5.6027 6.1749 6.1749 6.2488 6.2488 9.0917 9.0917 9.5756 9.5756 10.7658 10.7658 11.5127 11.5127 k = 0.2395-0.6840-0.0000 ( 3124 PWs) bands (ev): -7.5331 -7.5331 -7.4515 -7.4515 -7.3943 -7.3943 -7.3497 -7.3497 -6.7526 -6.7526 -6.6115 -6.6115 -6.5747 -6.5747 -6.5097 -6.5097 -6.4386 -6.4386 -6.3228 -6.3228 -4.8717 -4.8717 -4.5104 -4.5104 1.1022 1.1022 2.4066 2.4066 4.5359 4.5359 5.5425 5.5425 5.5665 5.5665 6.1765 6.1765 6.2694 6.2694 9.0200 9.0200 9.5361 9.5361 10.7283 10.7283 11.6156 11.6156 k = 0.2331-0.6655-0.0000 ( 3126 PWs) bands (ev): -7.5316 -7.5316 -7.4535 -7.4535 -7.3946 -7.3946 -7.3494 -7.3494 -6.7518 -6.7518 -6.6113 -6.6113 -6.5756 -6.5756 -6.5099 -6.5099 -6.4380 -6.4380 -6.3234 -6.3234 -4.9099 -4.9099 -4.4743 -4.4743 1.1480 1.1480 2.3884 2.3884 4.4756 4.4756 5.5204 5.5204 5.5894 5.5894 6.1608 6.1608 6.3095 6.3095 8.9555 8.9555 9.5026 9.5026 10.6953 10.6953 11.7196 11.7196 k = 0.2266-0.6470-0.0000 ( 3122 PWs) bands (ev): -7.5301 -7.5301 -7.4554 -7.4554 -7.3947 -7.3947 -7.3491 -7.3491 -6.7509 -6.7509 -6.6112 -6.6112 -6.5763 -6.5763 -6.5100 -6.5100 -6.4374 -6.4374 -6.3240 -6.3240 -4.9491 -4.9491 -4.4393 -4.4393 1.1973 1.1973 2.3742 2.3742 4.4142 4.4142 5.4769 5.4769 5.6291 5.6291 6.1388 6.1388 6.3561 6.3561 8.8990 8.8990 9.4754 9.4754 10.6667 10.6667 11.8243 11.8243 k = 0.2201-0.6285-0.0000 ( 3120 PWs) bands (ev): -7.5286 -7.5286 -7.4573 -7.4573 -7.3949 -7.3949 -7.3488 -7.3488 -6.7500 -6.7500 -6.6112 -6.6112 -6.5768 -6.5768 -6.5102 -6.5102 -6.4368 -6.4368 -6.3248 -6.3248 -4.9890 -4.9890 -4.4056 -4.4056 1.2499 1.2499 2.3643 2.3643 4.3524 4.3524 5.4317 5.4317 5.6660 5.6660 6.1140 6.1140 6.4041 6.4041 8.8516 8.8516 9.4545 9.4545 10.6425 10.6425 11.9294 11.9294 k = 0.2136-0.6100-0.0000 ( 3126 PWs) bands (ev): -7.5272 -7.5272 -7.4591 -7.4591 -7.3949 -7.3949 -7.3485 -7.3485 -6.7489 -6.7489 -6.6112 -6.6112 -6.5773 -6.5773 -6.5104 -6.5104 -6.4362 -6.4362 -6.3257 -6.3257 -5.0295 -5.0295 -4.3731 -4.3731 1.3056 1.3056 2.3586 2.3586 4.2905 4.2905 5.3858 5.3858 5.6992 5.6992 6.0880 6.0880 6.4509 6.4509 8.8141 8.8141 9.4399 9.4399 10.6226 10.6226 12.0345 12.0345 k = 0.2072-0.5916-0.0000 ( 3120 PWs) bands (ev): -7.5257 -7.5257 -7.4609 -7.4609 -7.3948 -7.3948 -7.3483 -7.3483 -6.7478 -6.7478 -6.6114 -6.6114 -6.5775 -6.5775 -6.5106 -6.5106 -6.4356 -6.4356 -6.3266 -6.3266 -5.0705 -5.0705 -4.3420 -4.3420 1.3642 1.3642 2.3572 2.3572 4.2288 4.2288 5.3395 5.3395 5.7281 5.7281 6.0617 6.0617 6.4949 6.4949 8.7876 8.7876 9.4318 9.4318 10.6070 10.6070 12.1389 12.1389 k = 0.2007-0.5731-0.0000 ( 3116 PWs) bands (ev): -7.5243 -7.5243 -7.4625 -7.4625 -7.3946 -7.3946 -7.3480 -7.3480 -6.7465 -6.7465 -6.6115 -6.6115 -6.5776 -6.5776 -6.5109 -6.5109 -6.4349 -6.4349 -6.3276 -6.3276 -5.1119 -5.1119 -4.3123 -4.3123 1.4255 1.4255 2.3601 2.3601 4.1676 4.1676 5.2933 5.2933 5.7515 5.7515 6.0361 6.0361 6.5344 6.5344 8.7729 8.7729 9.4300 9.4300 10.5954 10.5954 12.2418 12.2418 k = 0.1942-0.5546-0.0000 ( 3118 PWs) bands (ev): -7.5229 -7.5229 -7.4642 -7.4642 -7.3943 -7.3943 -7.3478 -7.3478 -6.7452 -6.7452 -6.6118 -6.6118 -6.5776 -6.5776 -6.5111 -6.5111 -6.4343 -6.4343 -6.3288 -6.3288 -5.1536 -5.1536 -4.2841 -4.2841 1.4892 1.4892 2.3673 2.3673 4.1072 4.1072 5.2475 5.2475 5.7682 5.7682 6.0125 6.0125 6.5685 6.5685 8.7708 8.7708 9.4345 9.4345 10.5878 10.5878 12.3424 12.3424 k = 0.1877-0.5361-0.0000 ( 3112 PWs) bands (ev): -7.5215 -7.5215 -7.4657 -7.4657 -7.3939 -7.3939 -7.3476 -7.3476 -6.7438 -6.7438 -6.6122 -6.6122 -6.5774 -6.5774 -6.5114 -6.5114 -6.4337 -6.4337 -6.3300 -6.3300 -5.1953 -5.1953 -4.2573 -4.2573 1.5551 1.5551 2.3789 2.3789 4.0479 4.0479 5.2023 5.2023 5.7768 5.7768 5.9925 5.9925 6.5962 6.5962 8.7819 8.7819 9.4451 9.4451 10.5839 10.5839 12.4394 12.4394 k = 0.1813-0.5176-0.0000 ( 3108 PWs) bands (ev): -7.5202 -7.5202 -7.4673 -7.4673 -7.3934 -7.3934 -7.3474 -7.3474 -6.7423 -6.7423 -6.6126 -6.6126 -6.5771 -6.5771 -6.5116 -6.5116 -6.4331 -6.4331 -6.3312 -6.3312 -5.2370 -5.2370 -4.2320 -4.2320 1.6229 1.6229 2.3946 2.3946 3.9898 3.9898 5.1580 5.1580 5.7760 5.7760 5.9776 5.9776 6.6170 6.6170 8.8065 8.8065 9.4617 9.4617 10.5836 10.5836 12.5316 12.5316 k = 0.1748-0.4991-0.0000 ( 3110 PWs) bands (ev): -7.5190 -7.5190 -7.4687 -7.4687 -7.3927 -7.3927 -7.3473 -7.3473 -6.7406 -6.7406 -6.6131 -6.6131 -6.5766 -6.5766 -6.5119 -6.5119 -6.4325 -6.4325 -6.3326 -6.3326 -5.2786 -5.2786 -4.2083 -4.2083 1.6923 1.6923 2.4145 2.4145 3.9330 3.9330 5.1147 5.1147 5.7656 5.7656 5.9682 5.9682 6.6309 6.6309 8.8446 8.8446 9.4838 9.4838 10.5867 10.5867 12.6179 12.6179 k = 0.1683-0.4806-0.0000 ( 3116 PWs) bands (ev): -7.5178 -7.5178 -7.4701 -7.4701 -7.3920 -7.3920 -7.3472 -7.3472 -6.7389 -6.7389 -6.6137 -6.6137 -6.5759 -6.5759 -6.5122 -6.5122 -6.4320 -6.4320 -6.3339 -6.3339 -5.3199 -5.3199 -4.1860 -4.1860 1.7629 1.7629 2.4384 2.4384 3.8779 3.8779 5.0726 5.0726 5.7470 5.7470 5.9629 5.9629 6.6380 6.6380 8.8957 8.8957 9.5112 9.5112 10.5930 10.5930 12.6974 12.6974 k = 0.1619-0.4622-0.0000 ( 3118 PWs) bands (ev): -7.5167 -7.5167 -7.4715 -7.4715 -7.3911 -7.3911 -7.3471 -7.3471 -6.7371 -6.7371 -6.6143 -6.6143 -6.5751 -6.5751 -6.5125 -6.5125 -6.4314 -6.4314 -6.3354 -6.3354 -5.3609 -5.3609 -4.1653 -4.1653 1.8345 1.8345 2.4662 2.4662 3.8245 3.8245 5.0320 5.0320 5.7226 5.7226 5.9598 5.9598 6.6389 6.6389 8.9592 8.9592 9.5435 9.5435 10.6025 10.6025 12.7696 12.7696 k = 0.1554-0.4437-0.0000 ( 3116 PWs) bands (ev): -7.5156 -7.5156 -7.4728 -7.4728 -7.3901 -7.3901 -7.3470 -7.3470 -6.7352 -6.7352 -6.6150 -6.6150 -6.5741 -6.5741 -6.5128 -6.5128 -6.4308 -6.4308 -6.3369 -6.3369 -5.4014 -5.4014 -4.1460 -4.1460 1.9066 1.9066 2.4978 2.4978 3.7730 3.7730 4.9928 4.9928 5.6944 5.6944 5.9571 5.9571 6.6342 6.6342 9.0344 9.0344 9.5800 9.5800 10.6149 10.6149 12.8336 12.8336 k = 0.1489-0.4252-0.0000 ( 3116 PWs) bands (ev): -7.5147 -7.5147 -7.4741 -7.4741 -7.3889 -7.3889 -7.3470 -7.3470 -6.7332 -6.7332 -6.6158 -6.6158 -6.5729 -6.5729 -6.5131 -6.5131 -6.4303 -6.4303 -6.3384 -6.3384 -5.4412 -5.4412 -4.1282 -4.1282 1.9789 1.9789 2.5329 2.5329 3.7235 3.7235 4.9554 4.9554 5.6639 5.6639 5.9537 5.9537 6.6248 6.6248 9.1201 9.1201 9.6202 9.6202 10.6302 10.6302 12.8882 12.8882 k = 0.1424-0.4067-0.0000 ( 3120 PWs) bands (ev): -7.5137 -7.5137 -7.4753 -7.4753 -7.3877 -7.3877 -7.3470 -7.3470 -6.7312 -6.7312 -6.6167 -6.6167 -6.5715 -6.5715 -6.5134 -6.5134 -6.4297 -6.4297 -6.3399 -6.3399 -5.4804 -5.4804 -4.1119 -4.1119 2.0509 2.0509 2.5712 2.5712 3.6763 3.6763 4.9198 4.9198 5.6322 5.6322 5.9487 5.9487 6.6115 6.6115 9.2154 9.2154 9.6635 9.6635 10.6483 10.6483 12.9318 12.9318 k = 0.1360-0.3882-0.0000 ( 3114 PWs) bands (ev): -7.5129 -7.5129 -7.4765 -7.4765 -7.3864 -7.3864 -7.3470 -7.3470 -6.7290 -6.7290 -6.6176 -6.6176 -6.5700 -6.5700 -6.5137 -6.5137 -6.4292 -6.4292 -6.3415 -6.3415 -5.5188 -5.5188 -4.0969 -4.0969 2.1222 2.1222 2.6127 2.6127 3.6315 3.6315 4.8861 4.8861 5.6000 5.6000 5.9421 5.9421 6.5953 6.5953 9.3191 9.3191 9.7093 9.7093 10.6690 10.6690 12.9627 12.9627 k = 0.1295-0.3697-0.0000 ( 3112 PWs) bands (ev): -7.5121 -7.5121 -7.4777 -7.4777 -7.3849 -7.3849 -7.3470 -7.3470 -6.7268 -6.7268 -6.6185 -6.6185 -6.5683 -6.5683 -6.5140 -6.5140 -6.4288 -6.4288 -6.3430 -6.3430 -5.5563 -5.5563 -4.0832 -4.0832 2.1924 2.1924 2.6570 2.6570 3.5892 3.5892 4.8545 4.8545 5.5679 5.5679 5.9335 5.9335 6.5770 6.5770 9.4301 9.4301 9.7569 9.7569 10.6923 10.6923 12.9785 12.9785 k = 0.1230-0.3512-0.0000 ( 3112 PWs) bands (ev): -7.5113 -7.5113 -7.4789 -7.4789 -7.3834 -7.3834 -7.3471 -7.3471 -6.7245 -6.7245 -6.6196 -6.6196 -6.5664 -6.5664 -6.5143 -6.5143 -6.4283 -6.4283 -6.3446 -6.3446 -5.5928 -5.5928 -4.0708 -4.0708 2.2608 2.2608 2.7037 2.7037 3.5497 3.5497 4.8251 4.8251 5.5360 5.5360 5.9230 5.9230 6.5572 6.5572 9.5471 9.5471 9.8059 9.8059 10.7181 10.7181 12.9775 12.9775 k = 0.1165-0.3328-0.0000 ( 3106 PWs) bands (ev): -7.5106 -7.5106 -7.4800 -7.4800 -7.3818 -7.3818 -7.3472 -7.3472 -6.7221 -6.7221 -6.6206 -6.6206 -6.5643 -6.5643 -6.5146 -6.5146 -6.4279 -6.4279 -6.3462 -6.3462 -5.6282 -5.6282 -4.0596 -4.0596 2.3269 2.3269 2.7526 2.7526 3.5132 3.5132 4.7979 4.7979 5.5049 5.5049 5.9109 5.9109 6.5368 6.5368 9.6680 9.6680 9.8567 9.8567 10.7460 10.7460 12.9583 12.9583 k = 0.1101-0.3143-0.0000 ( 3106 PWs) bands (ev): -7.5100 -7.5100 -7.4811 -7.4811 -7.3801 -7.3801 -7.3474 -7.3474 -6.7197 -6.7197 -6.6218 -6.6218 -6.5620 -6.5620 -6.5148 -6.5148 -6.4276 -6.4276 -6.3477 -6.3477 -5.6625 -5.6625 -4.0495 -4.0495 2.3903 2.3903 2.8033 2.8033 3.4798 3.4798 4.7731 4.7731 5.4746 5.4746 5.8971 5.8971 6.5161 6.5161 9.7877 9.7877 9.9129 9.9129 10.7759 10.7759 12.9210 12.9210 k = 0.1036-0.2958-0.0000 ( 3108 PWs) bands (ev): -7.5093 -7.5093 -7.4822 -7.4822 -7.3784 -7.3784 -7.3475 -7.3475 -6.7173 -6.7173 -6.6230 -6.6230 -6.5595 -6.5595 -6.5151 -6.5151 -6.4273 -6.4273 -6.3492 -6.3492 -5.6955 -5.6955 -4.0404 -4.0404 2.4502 2.4502 2.8554 2.8554 3.4498 3.4498 4.7507 4.7507 5.4453 5.4453 5.8820 5.8820 6.4957 6.4957 9.8890 9.8890 9.9904 9.9904 10.8074 10.8074 12.8669 12.8669 k = 0.0971-0.2773-0.0000 ( 3112 PWs) bands (ev): -7.5088 -7.5088 -7.4833 -7.4833 -7.3767 -7.3767 -7.3477 -7.3477 -6.7148 -6.7148 -6.6242 -6.6242 -6.5568 -6.5568 -6.5154 -6.5154 -6.4271 -6.4271 -6.3507 -6.3507 -5.7272 -5.7272 -4.0324 -4.0324 2.5061 2.5061 2.9084 2.9084 3.4235 3.4235 4.7307 4.7307 5.4173 5.4173 5.8657 5.8657 6.4759 6.4759 9.9543 9.9543 10.1053 10.1053 10.8399 10.8399 12.7986 12.7986 k = 0.0906-0.2588-0.0000 ( 3106 PWs) bands (ev): -7.5082 -7.5082 -7.4843 -7.4843 -7.3749 -7.3749 -7.3479 -7.3479 -6.7123 -6.7123 -6.6254 -6.6254 -6.5540 -6.5540 -6.5157 -6.5157 -6.4269 -6.4269 -6.3522 -6.3522 -5.7574 -5.7574 -4.0253 -4.0253 2.5574 2.5574 2.9619 2.9619 3.4010 3.4010 4.7132 4.7132 5.3906 5.3906 5.8485 5.8485 6.4572 6.4572 10.0010 10.0010 10.2388 10.2388 10.8730 10.8730 12.7194 12.7194 k = 0.0842-0.2403-0.0000 ( 3108 PWs) bands (ev): -7.5076 -7.5076 -7.4854 -7.4854 -7.3731 -7.3731 -7.3482 -7.3482 -6.7098 -6.7098 -6.6267 -6.6267 -6.5510 -6.5510 -6.5159 -6.5159 -6.4269 -6.4269 -6.3536 -6.3536 -5.7862 -5.7862 -4.0190 -4.0190 2.6036 2.6036 3.0155 3.0155 3.3826 3.3826 4.6981 4.6981 5.3654 5.3654 5.8306 5.8306 6.4397 6.4397 10.0402 10.0402 10.3786 10.3786 10.9062 10.9062 12.6327 12.6327 k = 0.0777-0.2218-0.0000 ( 3112 PWs) bands (ev): -7.5071 -7.5071 -7.4864 -7.4864 -7.3714 -7.3714 -7.3485 -7.3485 -6.7073 -6.7073 -6.6280 -6.6280 -6.5479 -6.5479 -6.5161 -6.5161 -6.4269 -6.4269 -6.3549 -6.3549 -5.8134 -5.8134 -4.0135 -4.0135 2.6442 2.6442 3.0685 3.0685 3.3683 3.3683 4.6854 4.6854 5.3418 5.3418 5.8123 5.8123 6.4236 6.4236 10.0745 10.0745 10.5200 10.5200 10.9394 10.9394 12.5419 12.5419 k = 0.0712-0.2033-0.0000 ( 3112 PWs) bands (ev): -7.5066 -7.5066 -7.4874 -7.4874 -7.3697 -7.3697 -7.3488 -7.3488 -6.7048 -6.7048 -6.6293 -6.6293 -6.5446 -6.5446 -6.5163 -6.5163 -6.4270 -6.4270 -6.3562 -6.3562 -5.8388 -5.8388 -4.0088 -4.0088 2.6791 2.6791 3.1204 3.1204 3.3582 3.3582 4.6749 4.6749 5.3198 5.3198 5.7938 5.7938 6.4090 6.4090 10.1047 10.1047 10.6590 10.6590 10.9746 10.9746 12.4499 12.4499 k = 0.0647-0.1849-0.0000 ( 3106 PWs) bands (ev): -7.5061 -7.5061 -7.4884 -7.4884 -7.3680 -7.3680 -7.3491 -7.3491 -6.7024 -6.7024 -6.6307 -6.6307 -6.5413 -6.5413 -6.5165 -6.5165 -6.4273 -6.4273 -6.3573 -6.3573 -5.8625 -5.8625 -4.0046 -4.0046 2.7082 2.7082 3.1707 3.1707 3.3521 3.3521 4.6665 4.6665 5.2996 5.2996 5.7754 5.7754 6.3960 6.3960 10.1312 10.1312 10.7865 10.7865 11.0187 11.0187 12.3591 12.3591 k = 0.0583-0.1664-0.0000 ( 3106 PWs) bands (ev): -7.5056 -7.5056 -7.4893 -7.4893 -7.3664 -7.3664 -7.3494 -7.3494 -6.7001 -6.7001 -6.6320 -6.6320 -6.5380 -6.5380 -6.5166 -6.5166 -6.4277 -6.4277 -6.3584 -6.3584 -5.8843 -5.8843 -4.0011 -4.0011 2.7316 2.7316 3.2187 3.2187 3.3496 3.3496 4.6600 4.6600 5.2813 5.2813 5.7575 5.7575 6.3847 6.3847 10.1543 10.1543 10.8823 10.8823 11.0905 11.0905 12.2716 12.2716 k = 0.0518-0.1479-0.0000 ( 3104 PWs) bands (ev): -7.5050 -7.5050 -7.4903 -7.4903 -7.3649 -7.3649 -7.3498 -7.3498 -6.6979 -6.6979 -6.6333 -6.6333 -6.5347 -6.5347 -6.5167 -6.5167 -6.4281 -6.4281 -6.3594 -6.3594 -5.9042 -5.9042 -3.9981 -3.9981 2.7499 2.7499 3.2637 3.2637 3.3502 3.3502 4.6551 4.6551 5.2648 5.2648 5.7403 5.7403 6.3750 6.3750 10.1741 10.1741 10.9332 10.9332 11.2022 11.2022 12.1892 12.1892 k = 0.0453-0.1294-0.0000 ( 3102 PWs) bands (ev): -7.5045 -7.5045 -7.4911 -7.4911 -7.3634 -7.3634 -7.3502 -7.3502 -6.6958 -6.6958 -6.6345 -6.6345 -6.5315 -6.5315 -6.5167 -6.5167 -6.4287 -6.4287 -6.3602 -6.3602 -5.9220 -5.9220 -3.9956 -3.9956 2.7637 2.7637 3.3046 3.3046 3.3537 3.3537 4.6517 4.6517 5.2503 5.2503 5.7241 5.7241 6.3668 6.3668 10.1909 10.1909 10.9563 10.9563 11.3359 11.3359 12.1133 12.1133 k = 0.0388-0.1109-0.0000 ( 3105 PWs) bands (ev): -7.5040 -7.5040 -7.4920 -7.4920 -7.3620 -7.3620 -7.3507 -7.3507 -6.6938 -6.6938 -6.6357 -6.6357 -6.5285 -6.5285 -6.5166 -6.5166 -6.4293 -6.4293 -6.3610 -6.3610 -5.9377 -5.9377 -3.9935 -3.9935 2.7737 2.7737 3.3384 3.3384 3.3617 3.3617 4.6495 4.6495 5.2377 5.2377 5.7092 5.7092 6.3601 6.3601 10.2050 10.2050 10.9664 10.9664 11.4761 11.4761 12.0452 12.0452 k = 0.0324-0.0924-0.0000 ( 3105 PWs) bands (ev): -7.5035 -7.5035 -7.4928 -7.4928 -7.3608 -7.3608 -7.3511 -7.3511 -6.6921 -6.6921 -6.6368 -6.6368 -6.5260 -6.5260 -6.5163 -6.5163 -6.4300 -6.4300 -6.3616 -6.3616 -5.9511 -5.9511 -3.9918 -3.9918 2.7808 2.7808 3.3551 3.3551 3.3829 3.3829 4.6481 4.6481 5.2271 5.2271 5.6959 5.6959 6.3547 6.3547 10.2165 10.2165 10.9697 10.9697 11.6156 11.6156 11.9862 11.9862 k = 0.0259-0.0739-0.0000 ( 3105 PWs) bands (ev): -7.5031 -7.5031 -7.4935 -7.4935 -7.3596 -7.3596 -7.3516 -7.3516 -6.6906 -6.6906 -6.6377 -6.6377 -6.5239 -6.5239 -6.5159 -6.5159 -6.4306 -6.4306 -6.3622 -6.3622 -5.9622 -5.9622 -3.9904 -3.9904 2.7855 2.7855 3.3620 3.3620 3.4088 3.4088 4.6473 4.6473 5.2185 5.2185 5.6846 5.6846 6.3505 6.3505 10.2255 10.2255 10.9693 10.9693 11.7491 11.7491 11.9377 11.9377 k = 0.0194-0.0555-0.0000 ( 3105 PWs) bands (ev): -7.5027 -7.5027 -7.4941 -7.4941 -7.3586 -7.3586 -7.3521 -7.3521 -6.6894 -6.6894 -6.6385 -6.6385 -6.5225 -6.5225 -6.5153 -6.5153 -6.4312 -6.4312 -6.3626 -6.3626 -5.9710 -5.9710 -3.9894 -3.9894 2.7886 2.7886 3.3668 3.3668 3.4306 3.4306 4.6470 4.6470 5.2118 5.2118 5.6755 5.6755 6.3474 6.3474 10.2324 10.2324 10.9671 10.9671 11.8607 11.8607 11.9109 11.9109 k = 0.0129-0.0370-0.0000 ( 3107 PWs) bands (ev): -7.5023 -7.5023 -7.4946 -7.4946 -7.3577 -7.3577 -7.3526 -7.3526 -6.6885 -6.6885 -6.6391 -6.6391 -6.5216 -6.5216 -6.5146 -6.5146 -6.4317 -6.4317 -6.3628 -6.3628 -5.9772 -5.9772 -3.9887 -3.9887 2.7905 2.7905 3.3703 3.3703 3.4467 3.4467 4.6468 4.6468 5.2070 5.2070 5.6687 5.6687 6.3452 6.3452 10.2372 10.2372 10.9646 10.9646 11.8620 11.8620 11.9870 11.9870 k = 0.0065-0.0185-0.0000 ( 3103 PWs) bands (ev): -7.5021 -7.5021 -7.4949 -7.4949 -7.3571 -7.3571 -7.3529 -7.3529 -6.6880 -6.6880 -6.6394 -6.6394 -6.5212 -6.5212 -6.5141 -6.5141 -6.4320 -6.4320 -6.3630 -6.3630 -5.9810 -5.9810 -3.9883 -3.9883 2.7915 2.7915 3.3725 3.3725 3.4565 3.4565 4.6468 4.6468 5.2042 5.2042 5.6646 5.6646 6.3440 6.3440 10.2401 10.2401 10.9628 10.9628 11.8466 11.8466 12.0600 12.0600 k = 0.0000 0.0000 0.0000 ( 3105 PWs) bands (ev): -7.5020 -7.5020 -7.4950 -7.4950 -7.3569 -7.3569 -7.3531 -7.3531 -6.6878 -6.6878 -6.6396 -6.6396 -6.5210 -6.5210 -6.5139 -6.5139 -6.4321 -6.4321 -6.3631 -6.3631 -5.9823 -5.9823 -3.9882 -3.9882 2.7918 2.7918 3.3732 3.3732 3.4598 3.4598 4.6468 4.6468 5.2032 5.2032 5.6633 5.6633 6.3436 6.3436 10.2410 10.2410 10.9621 10.9621 11.8411 11.8411 12.0874 12.0874 k = 0.0000 0.0000 0.0000 ( 3105 PWs) bands (ev): -7.5020 -7.5020 -7.4950 -7.4950 -7.3569 -7.3569 -7.3531 -7.3531 -6.6878 -6.6878 -6.6396 -6.6396 -6.5210 -6.5210 -6.5139 -6.5139 -6.4321 -6.4321 -6.3631 -6.3631 -5.9823 -5.9823 -3.9882 -3.9882 2.7918 2.7918 3.3732 3.3732 3.4598 3.4598 4.6468 4.6468 5.2032 5.2032 5.6633 5.6633 6.3436 6.3436 10.2410 10.2410 10.9621 10.9621 11.8411 11.8411 12.0874 12.0874 k = 0.0122-0.0153-0.0024 ( 3103 PWs) bands (ev): -7.5024 -7.5024 -7.4946 -7.4946 -7.3571 -7.3571 -7.3529 -7.3529 -6.6880 -6.6880 -6.6394 -6.6394 -6.5212 -6.5212 -6.5140 -6.5140 -6.4320 -6.4320 -6.3630 -6.3630 -5.9811 -5.9811 -3.9884 -3.9884 2.7893 2.7893 3.3702 3.3702 3.4619 3.4619 4.6469 4.6469 5.2039 5.2039 5.6648 5.6648 6.3442 6.3442 10.2391 10.2391 10.9621 10.9621 11.8466 11.8466 12.0633 12.0633 k = 0.0244-0.0306-0.0048 ( 3103 PWs) bands (ev): -7.5033 -7.5033 -7.4936 -7.4936 -7.3577 -7.3577 -7.3526 -7.3526 -6.6887 -6.6887 -6.6389 -6.6389 -6.5216 -6.5216 -6.5144 -6.5144 -6.4317 -6.4317 -6.3628 -6.3628 -5.9776 -5.9776 -3.9892 -3.9892 2.7818 2.7818 3.3616 3.3616 3.4678 3.4678 4.6472 4.6472 5.2058 5.2058 5.6695 5.6695 6.3461 6.3461 10.2333 10.2333 10.9621 10.9621 11.8619 11.8619 11.9987 11.9987 k = 0.0366-0.0458-0.0072 ( 3104 PWs) bands (ev): -7.5044 -7.5044 -7.4922 -7.4922 -7.3585 -7.3585 -7.3522 -7.3522 -6.6897 -6.6897 -6.6381 -6.6381 -6.5225 -6.5225 -6.5148 -6.5148 -6.4312 -6.4312 -6.3626 -6.3626 -5.9718 -5.9718 -3.9905 -3.9905 2.7694 2.7694 3.3486 3.3486 3.4763 3.4763 4.6478 4.6478 5.2090 5.2090 5.6771 5.6771 6.3493 6.3493 10.2236 10.2236 10.9617 10.9617 11.8708 11.8708 11.9230 11.9230 k = 0.0488-0.0611-0.0096 ( 3105 PWs) bands (ev): -7.5057 -7.5057 -7.4907 -7.4907 -7.3595 -7.3595 -7.3517 -7.3517 -6.6911 -6.6911 -6.6372 -6.6372 -6.5239 -6.5239 -6.5152 -6.5152 -6.4307 -6.4307 -6.3622 -6.3622 -5.9636 -5.9636 -3.9923 -3.9923 2.7518 2.7518 3.3322 3.3322 3.4869 3.4869 4.6486 4.6486 5.2136 5.2136 5.6874 5.6874 6.3540 6.3540 10.2099 10.2099 10.9606 10.9606 11.7820 11.7820 11.9384 11.9384 k = 0.0610-0.0764-0.0119 ( 3109 PWs) bands (ev): -7.5070 -7.5070 -7.4891 -7.4891 -7.3606 -7.3606 -7.3512 -7.3512 -6.6927 -6.6927 -6.6361 -6.6361 -6.5258 -6.5258 -6.5155 -6.5155 -6.4301 -6.4301 -6.3617 -6.3617 -5.9533 -5.9533 -3.9946 -3.9946 2.7292 2.7292 3.3130 3.3130 3.4992 3.4992 4.6498 4.6498 5.2197 5.2197 5.7002 5.7002 6.3602 6.3602 10.1922 10.1922 10.9579 10.9579 11.6628 11.6628 11.9838 11.9838 k = 0.0732-0.0917-0.0143 ( 3104 PWs) bands (ev): -7.5083 -7.5083 -7.4874 -7.4874 -7.3618 -7.3618 -7.3508 -7.3508 -6.6945 -6.6945 -6.6349 -6.6349 -6.5280 -6.5280 -6.5155 -6.5155 -6.4295 -6.4295 -6.3611 -6.3611 -5.9407 -5.9407 -3.9975 -3.9975 2.7015 2.7015 3.2911 3.2911 3.5133 3.5133 4.6514 4.6514 5.2274 5.2274 5.7152 5.7152 6.3682 6.3682 10.1703 10.1703 10.9524 10.9524 11.5374 11.5374 12.0389 12.0389 k = 0.0854-0.1069-0.0167 ( 3108 PWs) bands (ev): -7.5095 -7.5095 -7.4857 -7.4857 -7.3630 -7.3630 -7.3505 -7.3505 -6.6965 -6.6965 -6.6338 -6.6338 -6.5305 -6.5305 -6.5154 -6.5154 -6.4289 -6.4289 -6.3604 -6.3604 -5.9260 -5.9260 -4.0010 -4.0010 2.6689 2.6689 3.2668 3.2668 3.5294 3.5294 4.6535 4.6535 5.2368 5.2368 5.7320 5.7320 6.3780 6.3780 10.1442 10.1442 10.9427 10.9427 11.4108 11.4108 12.1012 12.1012 k = 0.0976-0.1222-0.0191 ( 3106 PWs) bands (ev): -7.5108 -7.5108 -7.4839 -7.4839 -7.3644 -7.3644 -7.3501 -7.3501 -6.6986 -6.6986 -6.6328 -6.6328 -6.5330 -6.5330 -6.5153 -6.5153 -6.4284 -6.4284 -6.3596 -6.3596 -5.9093 -5.9093 -4.0050 -4.0050 2.6314 2.6314 3.2401 3.2401 3.5476 3.5476 4.6563 4.6563 5.2479 5.2479 5.7502 5.7502 6.3899 6.3899 10.1137 10.1137 10.9260 10.9260 11.2869 11.2869 12.1690 12.1690 k = 0.1098-0.1375-0.0215 ( 3105 PWs) bands (ev): -7.5119 -7.5119 -7.4822 -7.4822 -7.3658 -7.3658 -7.3498 -7.3498 -6.7007 -6.7007 -6.6319 -6.6319 -6.5356 -6.5356 -6.5150 -6.5150 -6.4281 -6.4281 -6.3587 -6.3587 -5.8906 -5.8906 -4.0097 -4.0097 2.5894 2.5894 3.2111 3.2111 3.5682 3.5682 4.6600 4.6600 5.2607 5.2607 5.7696 5.7696 6.4040 6.4040 10.0787 10.0787 10.8979 10.8979 11.1712 11.1712 12.2409 12.2409 k = 0.1220-0.1528-0.0239 ( 3101 PWs) bands (ev): -7.5130 -7.5130 -7.4805 -7.4805 -7.3672 -7.3672 -7.3496 -7.3496 -6.7028 -6.7028 -6.6313 -6.6313 -6.5380 -6.5380 -6.5147 -6.5147 -6.4278 -6.4278 -6.3578 -6.3578 -5.8699 -5.8699 -4.0150 -4.0150 2.5432 2.5432 3.1798 3.1798 3.5912 3.5912 4.6648 4.6648 5.2754 5.2754 5.7896 5.7896 6.4203 6.4203 10.0390 10.0390 10.8502 10.8502 11.0726 11.0726 12.3155 12.3155 k = 0.1341-0.1680-0.0263 ( 3101 PWs) bands (ev): -7.5141 -7.5141 -7.4788 -7.4788 -7.3687 -7.3687 -7.3494 -7.3494 -6.7049 -6.7049 -6.6310 -6.6310 -6.5401 -6.5401 -6.5143 -6.5143 -6.4277 -6.4277 -6.3568 -6.3568 -5.8475 -5.8475 -4.0209 -4.0209 2.4932 2.4932 3.1463 3.1463 3.6167 3.6167 4.6707 4.6707 5.2918 5.2918 5.8100 5.8100 6.4387 6.4387 9.9945 9.9945 10.7753 10.7753 10.9996 10.9996 12.3920 12.3920 k = 0.1463-0.1833-0.0287 ( 3106 PWs) bands (ev): -7.5151 -7.5151 -7.4772 -7.4772 -7.3701 -7.3701 -7.3492 -7.3492 -6.7070 -6.7070 -6.6310 -6.6310 -6.5420 -6.5420 -6.5138 -6.5138 -6.4276 -6.4276 -6.3558 -6.3558 -5.8232 -5.8232 -4.0275 -4.0275 2.4398 2.4398 3.1106 3.1106 3.6448 3.6448 4.6780 4.6780 5.3099 5.3099 5.8305 5.8305 6.4593 6.4593 9.9451 9.9451 10.6790 10.6790 10.9474 10.9474 12.4693 12.4693 k = 0.1585-0.1986-0.0311 ( 3112 PWs) bands (ev): -7.5161 -7.5161 -7.4756 -7.4756 -7.3716 -7.3716 -7.3491 -7.3491 -6.7090 -6.7090 -6.6314 -6.6314 -6.5435 -6.5435 -6.5134 -6.5134 -6.4277 -6.4277 -6.3548 -6.3548 -5.7973 -5.7973 -4.0348 -4.0348 2.3836 2.3836 3.0729 3.0729 3.6756 3.6756 4.6868 4.6868 5.3297 5.3297 5.8507 5.8507 6.4818 6.4818 9.8908 9.8908 10.5738 10.5738 10.9049 10.9049 12.5469 12.5469 k = 0.1707-0.2139-0.0335 ( 3110 PWs) bands (ev): -7.5170 -7.5170 -7.4741 -7.4741 -7.3730 -7.3730 -7.3491 -7.3491 -6.7109 -6.7109 -6.6322 -6.6322 -6.5447 -6.5447 -6.5129 -6.5129 -6.4278 -6.4278 -6.3537 -6.3537 -5.7698 -5.7698 -4.0429 -4.0429 2.3249 2.3249 3.0334 3.0334 3.7090 3.7090 4.6973 4.6973 5.3512 5.3512 5.8705 5.8705 6.5059 6.5059 9.8317 9.8317 10.4677 10.4677 10.8655 10.8655 12.6237 12.6237 k = 0.1829-0.2291-0.0358 ( 3110 PWs) bands (ev): -7.5178 -7.5178 -7.4726 -7.4726 -7.3744 -7.3744 -7.3491 -7.3491 -6.7127 -6.7127 -6.6333 -6.6333 -6.5454 -6.5454 -6.5123 -6.5123 -6.4281 -6.4281 -6.3527 -6.3527 -5.7408 -5.7408 -4.0517 -4.0517 2.2642 2.2642 2.9921 2.9921 3.7451 3.7451 4.7096 4.7096 5.3743 5.3743 5.8895 5.8895 6.5313 6.5313 9.7681 9.7681 10.3644 10.3644 10.8267 10.8267 12.6982 12.6982 k = 0.1951-0.2444-0.0382 ( 3116 PWs) bands (ev): -7.5186 -7.5186 -7.4713 -7.4713 -7.3757 -7.3757 -7.3491 -7.3491 -6.7143 -6.7143 -6.6348 -6.6348 -6.5458 -6.5458 -6.5118 -6.5118 -6.4284 -6.4284 -6.3516 -6.3516 -5.7103 -5.7103 -4.0614 -4.0614 2.2020 2.2020 2.9495 2.9495 3.7836 3.7836 4.7237 4.7237 5.3988 5.3988 5.9076 5.9076 6.5574 6.5574 9.7007 9.7007 10.2656 10.2656 10.7880 10.7880 12.7678 12.7678 k = 0.2073-0.2597-0.0406 ( 3119 PWs) bands (ev): -7.5193 -7.5193 -7.4700 -7.4700 -7.3770 -7.3770 -7.3492 -7.3492 -6.7159 -6.7159 -6.6366 -6.6366 -6.5459 -6.5459 -6.5112 -6.5112 -6.4287 -6.4287 -6.3506 -6.3506 -5.6785 -5.6785 -4.0719 -4.0719 2.1388 2.1388 2.9056 2.9056 3.8247 3.8247 4.7397 4.7397 5.4248 5.4248 5.9247 5.9247 6.5836 6.5836 9.6307 9.6307 10.1719 10.1719 10.7494 10.7494 12.8292 12.8292 k = 0.2195-0.2750-0.0430 ( 3122 PWs) bands (ev): -7.5200 -7.5200 -7.4689 -7.4689 -7.3781 -7.3781 -7.3493 -7.3493 -6.7173 -6.7173 -6.6387 -6.6387 -6.5457 -6.5457 -6.5106 -6.5106 -6.4290 -6.4290 -6.3496 -6.3496 -5.6454 -5.6454 -4.0833 -4.0833 2.0750 2.0750 2.8608 2.8608 3.8682 3.8682 4.7576 4.7576 5.4520 5.4520 5.9404 5.9404 6.6092 6.6092 9.5593 9.5593 10.0836 10.0836 10.7113 10.7113 12.8777 12.8777 k = 0.2317-0.2902-0.0454 ( 3124 PWs) bands (ev): -7.5206 -7.5206 -7.4679 -7.4679 -7.3792 -7.3792 -7.3495 -7.3495 -6.7185 -6.7185 -6.6411 -6.6411 -6.5452 -6.5452 -6.5101 -6.5101 -6.4294 -6.4294 -6.3486 -6.3486 -5.6110 -5.6110 -4.0957 -4.0957 2.0111 2.0111 2.8154 2.8154 3.9141 3.9141 4.7774 4.7774 5.4805 5.4805 5.9547 5.9547 6.6333 6.6333 9.4882 9.4882 10.0002 10.0002 10.6742 10.6742 12.9085 12.9085 k = 0.2439-0.3055-0.0478 ( 3120 PWs) bands (ev): -7.5212 -7.5212 -7.4670 -7.4670 -7.3801 -7.3801 -7.3498 -7.3498 -6.7196 -6.7196 -6.6436 -6.6436 -6.5444 -6.5444 -6.5095 -6.5095 -6.4298 -6.4298 -6.3477 -6.3477 -5.5756 -5.5756 -4.1090 -4.1090 1.9473 1.9473 2.7696 2.7696 3.9622 3.9622 4.7992 4.7992 5.5099 5.5099 5.9673 5.9673 6.6551 6.6551 9.4194 9.4194 9.9214 9.9214 10.6386 10.6386 12.9172 12.9172 k = 0.2561-0.3208-0.0502 ( 3119 PWs) bands (ev): -7.5217 -7.5217 -7.4663 -7.4663 -7.3808 -7.3808 -7.3501 -7.3501 -6.7205 -6.7205 -6.6464 -6.6464 -6.5435 -6.5435 -6.5090 -6.5090 -6.4302 -6.4302 -6.3468 -6.3468 -5.5390 -5.5390 -4.1233 -4.1233 1.8841 1.8841 2.7238 2.7238 4.0126 4.0126 4.8229 4.8229 5.5403 5.5403 5.9782 5.9782 6.6736 6.6736 9.3547 9.3547 9.8468 9.8468 10.6049 10.6049 12.9004 12.9004 k = 0.2683-0.3361-0.0526 ( 3117 PWs) bands (ev): -7.5222 -7.5222 -7.4657 -7.4657 -7.3814 -7.3814 -7.3504 -7.3504 -6.7213 -6.7213 -6.6492 -6.6492 -6.5425 -6.5425 -6.5084 -6.5084 -6.4305 -6.4305 -6.3459 -6.3459 -5.5016 -5.5016 -4.1387 -4.1387 1.8219 1.8219 2.6782 2.6782 4.0650 4.0650 4.8484 4.8484 5.5713 5.5713 5.9872 5.9872 6.6878 6.6878 9.2958 9.2958 9.7760 9.7760 10.5736 10.5736 12.8561 12.8561 k = 0.2805-0.3513-0.0550 ( 3119 PWs) bands (ev): -7.5226 -7.5226 -7.4652 -7.4652 -7.3818 -7.3818 -7.3509 -7.3509 -6.7219 -6.7219 -6.6522 -6.6522 -6.5413 -6.5413 -6.5079 -6.5079 -6.4308 -6.4308 -6.3451 -6.3451 -5.4632 -5.4632 -4.1551 -4.1551 1.7609 1.7609 2.6331 2.6331 4.1193 4.1193 4.8756 4.8756 5.6028 5.6028 5.9941 5.9941 6.6968 6.6968 9.2443 9.2443 9.7089 9.7089 10.5451 10.5451 12.7838 12.7838 k = 0.2927-0.3666-0.0574 ( 3116 PWs) bands (ev): -7.5230 -7.5230 -7.4649 -7.4649 -7.3821 -7.3821 -7.3513 -7.3513 -6.7223 -6.7223 -6.6552 -6.6552 -6.5401 -6.5401 -6.5074 -6.5074 -6.4311 -6.4311 -6.3443 -6.3443 -5.4241 -5.4241 -4.1727 -4.1727 1.7015 1.7015 2.5888 2.5888 4.1756 4.1756 4.9045 4.9045 5.6345 5.6345 5.9989 5.9989 6.6996 6.6996 9.2013 9.2013 9.6455 9.6455 10.5197 10.5197 12.6879 12.6879 k = 0.3049-0.3819-0.0597 ( 3112 PWs) bands (ev): -7.5233 -7.5233 -7.4647 -7.4647 -7.3822 -7.3822 -7.3519 -7.3519 -6.7226 -6.7226 -6.6583 -6.6583 -6.5388 -6.5388 -6.5070 -6.5070 -6.4314 -6.4314 -6.3435 -6.3435 -5.3843 -5.3843 -4.1914 -4.1914 1.6439 1.6439 2.5456 2.5456 4.2335 4.2335 4.9350 4.9350 5.6662 5.6662 6.0015 6.0015 6.6955 6.6955 9.1677 9.1677 9.5860 9.5860 10.4977 10.4977 12.5757 12.5757 k = 0.3171-0.3972-0.0621 ( 3114 PWs) bands (ev): -7.5236 -7.5236 -7.4646 -7.4646 -7.3821 -7.3821 -7.3525 -7.3525 -6.7226 -6.7226 -6.6614 -6.6614 -6.5375 -6.5375 -6.5066 -6.5066 -6.4316 -6.4316 -6.3428 -6.3428 -5.3439 -5.3439 -4.2112 -4.2112 1.5886 1.5886 2.5037 2.5037 4.2930 4.2930 4.9669 4.9669 5.6974 5.6974 6.0018 6.0018 6.6842 6.6842 9.1437 9.1437 9.5311 9.5311 10.4794 10.4794 12.4531 12.4531 k = 0.3293-0.4124-0.0645 ( 3121 PWs) bands (ev): -7.5239 -7.5239 -7.4646 -7.4646 -7.3819 -7.3819 -7.3532 -7.3532 -6.7226 -6.7226 -6.6645 -6.6645 -6.5362 -6.5362 -6.5062 -6.5062 -6.4317 -6.4317 -6.3422 -6.3422 -5.3031 -5.3031 -4.2322 -4.2322 1.5356 1.5356 2.4633 2.4633 4.3540 4.3540 5.0002 5.0002 5.7277 5.7277 6.0000 6.0000 6.6656 6.6656 9.1287 9.1287 9.4819 9.4819 10.4651 10.4651 12.3240 12.3240 k = 0.3415-0.4277-0.0669 ( 3124 PWs) bands (ev): -7.5242 -7.5242 -7.4648 -7.4648 -7.3815 -7.3815 -7.3539 -7.3539 -6.7223 -6.7223 -6.6676 -6.6676 -6.5349 -6.5349 -6.5059 -6.5059 -6.4319 -6.4319 -6.3416 -6.3416 -5.2619 -5.2619 -4.2543 -4.2543 1.4853 1.4853 2.4248 2.4248 4.4161 4.4161 5.0346 5.0346 5.7564 5.7564 5.9963 5.9963 6.6398 6.6398 9.1207 9.1207 9.4403 9.4403 10.4548 10.4548 12.1910 12.1910 k = 0.3537-0.4430-0.0693 ( 3125 PWs) bands (ev): -7.5244 -7.5244 -7.4650 -7.4650 -7.3809 -7.3809 -7.3547 -7.3547 -6.7219 -6.7219 -6.6707 -6.6707 -6.5336 -6.5336 -6.5056 -6.5056 -6.4320 -6.4320 -6.3411 -6.3411 -5.2204 -5.2204 -4.2775 -4.2775 1.4378 1.4378 2.3882 2.3882 4.4793 4.4793 5.0699 5.0699 5.7827 5.7827 5.9910 5.9910 6.6074 6.6074 9.1165 9.1165 9.4097 9.4097 10.4488 10.4488 12.0557 12.0557 k = 0.3659-0.4583-0.0717 ( 3123 PWs) bands (ev): -7.5245 -7.5245 -7.4653 -7.4653 -7.3803 -7.3803 -7.3555 -7.3555 -6.7213 -6.7213 -6.6738 -6.6738 -6.5324 -6.5324 -6.5054 -6.5054 -6.4320 -6.4320 -6.3406 -6.3406 -5.1789 -5.1789 -4.3019 -4.3019 1.3934 1.3934 2.3539 2.3539 4.5431 4.5431 5.1060 5.1060 5.8056 5.8056 5.9850 5.9850 6.5695 6.5695 9.1110 9.1110 9.3944 9.3944 10.4469 10.4469 11.9194 11.9194 k = 0.3780-0.4735-0.0741 ( 3121 PWs) bands (ev): -7.5247 -7.5247 -7.4656 -7.4656 -7.3795 -7.3795 -7.3564 -7.3564 -6.7206 -6.7206 -6.6768 -6.6768 -6.5312 -6.5312 -6.5052 -6.5052 -6.4320 -6.4320 -6.3402 -6.3402 -5.1375 -5.1375 -4.3272 -4.3272 1.3523 1.3523 2.3219 2.3219 4.6074 4.6074 5.1426 5.1426 5.8235 5.8235 5.9790 5.9790 6.5273 6.5273 9.0998 9.0998 9.3984 9.3984 10.4491 10.4491 11.7832 11.7832 k = 0.3902-0.4888-0.0765 ( 3117 PWs) bands (ev): -7.5248 -7.5248 -7.4659 -7.4659 -7.3786 -7.3786 -7.3574 -7.3574 -6.7197 -6.7197 -6.6797 -6.6797 -6.5301 -6.5301 -6.5051 -6.5051 -6.4320 -6.4320 -6.3398 -6.3398 -5.0964 -5.0964 -4.3535 -4.3535 1.3146 1.3146 2.2924 2.2924 4.6716 4.6716 5.1794 5.1794 5.8347 5.8347 5.9744 5.9744 6.4823 6.4823 9.0815 9.0815 9.4221 9.4221 10.4551 10.4551 11.6482 11.6482 k = 0.4024-0.5041-0.0789 ( 3118 PWs) bands (ev): -7.5249 -7.5249 -7.4663 -7.4663 -7.3776 -7.3776 -7.3584 -7.3584 -6.7187 -6.7187 -6.6826 -6.6826 -6.5291 -6.5291 -6.5050 -6.5050 -6.4320 -6.4320 -6.3394 -6.3394 -5.0558 -5.0558 -4.3806 -4.3806 1.2804 1.2804 2.2657 2.2657 4.7352 4.7352 5.2159 5.2159 5.8383 5.8383 5.9714 5.9714 6.4367 6.4367 9.0580 9.0580 9.4624 9.4624 10.4645 10.4645 11.5152 11.5152 k = 0.4146-0.5194-0.0813 ( 3116 PWs) bands (ev): -7.5250 -7.5250 -7.4666 -7.4666 -7.3765 -7.3765 -7.3594 -7.3594 -6.7175 -6.7175 -6.6854 -6.6854 -6.5281 -6.5281 -6.5050 -6.5050 -6.4319 -6.4319 -6.3391 -6.3391 -5.0160 -5.0160 -4.4083 -4.4083 1.2500 1.2500 2.2418 2.2418 4.7976 4.7976 5.2515 5.2515 5.8347 5.8347 5.9689 5.9689 6.3925 6.3925 9.0325 9.0325 9.5153 9.5153 10.4768 10.4768 11.3855 11.3855 k = 0.4268-0.5346-0.0836 ( 3112 PWs) bands (ev): -7.5251 -7.5251 -7.4670 -7.4670 -7.3754 -7.3754 -7.3605 -7.3605 -6.7162 -6.7162 -6.6881 -6.6881 -6.5273 -6.5273 -6.5050 -6.5050 -6.4319 -6.4319 -6.3388 -6.3388 -4.9773 -4.9773 -4.4363 -4.4363 1.2234 1.2234 2.2208 2.2208 4.8578 4.8578 5.2856 5.2856 5.8260 5.8260 5.9644 5.9644 6.3523 6.3523 9.0073 9.0073 9.5767 9.5767 10.4911 10.4911 11.2605 11.2605 k = 0.4390-0.5499-0.0860 ( 3106 PWs) bands (ev): -7.5252 -7.5252 -7.4673 -7.4673 -7.3743 -7.3743 -7.3616 -7.3616 -6.7148 -6.7148 -6.6907 -6.6907 -6.5266 -6.5266 -6.5050 -6.5050 -6.4318 -6.4318 -6.3386 -6.3386 -4.9404 -4.9404 -4.4641 -4.4641 1.2007 1.2007 2.2029 2.2029 4.9147 4.9147 5.3172 5.3172 5.8149 5.8149 5.9552 5.9552 6.3184 6.3184 8.9840 8.9840 9.6431 9.6431 10.5067 10.5067 11.1421 11.1421 k = 0.4512-0.5652-0.0884 ( 3104 PWs) bands (ev): -7.5252 -7.5252 -7.4675 -7.4675 -7.3731 -7.3731 -7.3628 -7.3628 -6.7134 -6.7134 -6.6932 -6.6932 -6.5259 -6.5259 -6.5050 -6.5050 -6.4317 -6.4317 -6.3384 -6.3384 -4.9060 -4.9060 -4.4910 -4.4910 1.1820 1.1820 2.1881 2.1881 4.9666 4.9666 5.3451 5.3451 5.8042 5.8042 5.9398 5.9398 6.2925 6.2925 8.9638 8.9638 9.7108 9.7108 10.5222 10.5222 11.0328 11.0328 k = 0.4634-0.5805-0.0908 ( 3109 PWs) bands (ev): -7.5253 -7.5253 -7.4678 -7.4678 -7.3719 -7.3719 -7.3640 -7.3640 -6.7119 -6.7119 -6.6954 -6.6954 -6.5255 -6.5255 -6.5050 -6.5050 -6.4317 -6.4317 -6.3383 -6.3383 -4.8753 -4.8753 -4.5157 -4.5157 1.1674 1.1674 2.1765 2.1765 5.0115 5.0115 5.3679 5.3679 5.7964 5.7964 5.9193 5.9193 6.2746 6.2746 8.9474 8.9474 9.7752 9.7752 10.5365 10.5365 10.9364 10.9364 k = 0.4756-0.5958-0.0932 ( 3111 PWs) bands (ev): -7.5253 -7.5253 -7.4679 -7.4679 -7.3707 -7.3707 -7.3651 -7.3651 -6.7105 -6.7105 -6.6974 -6.6974 -6.5251 -6.5251 -6.5050 -6.5050 -6.4316 -6.4316 -6.3382 -6.3382 -4.8501 -4.8501 -4.5366 -4.5366 1.1570 1.1570 2.1682 2.1682 5.0468 5.0468 5.3844 5.3844 5.7932 5.7932 5.8968 5.8968 6.2636 6.2636 8.9353 8.9353 9.8301 9.8301 10.5484 10.5484 10.8585 10.8585 k = 0.4878-0.6110-0.0956 ( 3109 PWs) bands (ev): -7.5253 -7.5253 -7.4680 -7.4680 -7.3696 -7.3696 -7.3662 -7.3662 -6.7094 -6.7094 -6.6988 -6.6988 -6.5249 -6.5249 -6.5050 -6.5050 -6.4316 -6.4316 -6.3382 -6.3382 -4.8332 -4.8332 -4.5510 -4.5510 1.1507 1.1507 2.1632 2.1632 5.0696 5.0696 5.3942 5.3942 5.7944 5.7944 5.8779 5.8779 6.2579 6.2579 8.9279 8.9279 9.8681 9.8681 10.5565 10.5565 10.8065 10.8065 k = 0.5000-0.6263-0.0980 ( 3110 PWs) bands (ev): -7.5253 -7.5253 -7.4681 -7.4681 -7.3690 -7.3690 -7.3668 -7.3668 -6.7090 -6.7090 -6.6994 -6.6994 -6.5248 -6.5248 -6.5051 -6.5051 -6.4316 -6.4316 -6.3381 -6.3381 -4.8271 -4.8271 -4.5562 -4.5562 1.1486 1.1486 2.1615 2.1615 5.0776 5.0776 5.3975 5.3975 5.7959 5.7959 5.8700 5.8700 6.2561 6.2561 8.9255 8.9255 9.8818 9.8818 10.5594 10.5594 10.7879 10.7879 k = 0.5000-0.6263 0.6210 ( 3130 PWs) bands (ev): -7.5422 -7.5422 -7.4887 -7.4887 -7.3949 -7.3949 -7.3676 -7.3676 -6.7385 -6.7385 -6.7071 -6.7071 -6.5390 -6.5390 -6.5126 -6.5126 -6.4217 -6.4217 -6.3343 -6.3343 -4.5223 -4.5223 -4.3586 -4.3586 1.9582 1.9582 2.2231 2.2231 3.4234 3.4234 4.1700 4.1700 4.6900 4.6900 5.0057 5.0057 5.8025 5.8025 9.6377 9.6377 10.7255 10.7255 11.4489 11.4489 12.0734 12.0734 k = 0.4904-0.6143 0.6091 ( 3132 PWs) bands (ev): -7.5422 -7.5422 -7.4886 -7.4886 -7.3949 -7.3949 -7.3675 -7.3675 -6.7386 -6.7386 -6.7069 -6.7069 -6.5391 -6.5391 -6.5125 -6.5125 -6.4217 -6.4217 -6.3343 -6.3343 -4.5243 -4.5243 -4.3580 -4.3580 1.9497 1.9497 2.2344 2.2344 3.4246 3.4246 4.1685 4.1685 4.6855 4.6855 5.0088 5.0088 5.8072 5.8072 9.6396 9.6396 10.7295 10.7295 11.4484 11.4484 12.0744 12.0744 k = 0.4808-0.6022 0.5971 ( 3129 PWs) bands (ev): -7.5421 -7.5421 -7.4884 -7.4884 -7.3950 -7.3950 -7.3674 -7.3674 -6.7387 -6.7387 -6.7065 -6.7065 -6.5393 -6.5393 -6.5123 -6.5123 -6.4218 -6.4218 -6.3344 -6.3344 -4.5303 -4.5303 -4.3562 -4.3562 1.9280 1.9280 2.2644 2.2644 3.4283 3.4283 4.1642 4.1642 4.6736 4.6736 5.0166 5.0166 5.8211 5.8211 9.6453 9.6453 10.7417 10.7417 11.4469 11.4469 12.0773 12.0773 k = 0.4712-0.5902 0.5852 ( 3125 PWs) bands (ev): -7.5420 -7.5420 -7.4880 -7.4880 -7.3950 -7.3950 -7.3672 -7.3672 -6.7390 -6.7390 -6.7057 -6.7057 -6.5396 -6.5396 -6.5121 -6.5121 -6.4219 -6.4219 -6.3345 -6.3345 -4.5401 -4.5401 -4.3535 -4.3535 1.8993 1.8993 2.3066 2.3066 3.4343 3.4343 4.1570 4.1570 4.6577 4.6577 5.0256 5.0256 5.8445 5.8445 9.6548 9.6548 10.7617 10.7617 11.4444 11.4444 12.0820 12.0820 k = 0.4615-0.5781 0.5732 ( 3126 PWs) bands (ev): -7.5419 -7.5419 -7.4874 -7.4874 -7.3951 -7.3951 -7.3668 -7.3668 -6.7393 -6.7393 -6.7047 -6.7047 -6.5400 -6.5400 -6.5117 -6.5117 -6.4221 -6.4221 -6.3346 -6.3346 -4.5535 -4.5535 -4.3500 -4.3500 1.8685 1.8685 2.3560 2.3560 3.4422 3.4422 4.1472 4.1472 4.6420 4.6420 5.0323 5.0323 5.8774 5.8774 9.6681 9.6681 10.7893 10.7893 11.4410 11.4410 12.0884 12.0884 k = 0.4519-0.5661 0.5613 ( 3126 PWs) bands (ev): -7.5417 -7.5417 -7.4868 -7.4868 -7.3952 -7.3952 -7.3665 -7.3665 -6.7396 -6.7396 -6.7034 -6.7034 -6.5405 -6.5405 -6.5112 -6.5112 -6.4223 -6.4223 -6.3347 -6.3347 -4.5701 -4.5701 -4.3459 -4.3459 1.8382 1.8382 2.4096 2.4096 3.4516 3.4516 4.1353 4.1353 4.6294 4.6294 5.0343 5.0343 5.9193 5.9193 9.6852 9.6852 10.8239 10.8239 11.4368 11.4368 12.0962 12.0962 k = 0.4423-0.5540 0.5493 ( 3128 PWs) bands (ev): -7.5414 -7.5414 -7.4860 -7.4860 -7.3952 -7.3952 -7.3660 -7.3660 -6.7400 -6.7400 -6.7019 -6.7019 -6.5410 -6.5410 -6.5106 -6.5106 -6.4226 -6.4226 -6.3349 -6.3349 -4.5898 -4.5898 -4.3413 -4.3413 1.8096 1.8096 2.4654 2.4654 3.4618 3.4618 4.1224 4.1224 4.6219 4.6219 5.0303 5.0303 5.9694 5.9694 9.7060 9.7060 10.8651 10.8651 11.4318 11.4318 12.1050 12.1050 k = 0.4327-0.5420 0.5374 ( 3128 PWs) bands (ev): -7.5411 -7.5411 -7.4850 -7.4850 -7.3953 -7.3953 -7.3655 -7.3655 -6.7403 -6.7403 -6.7002 -6.7002 -6.5417 -6.5417 -6.5100 -6.5100 -6.4229 -6.4229 -6.3351 -6.3351 -4.6124 -4.6124 -4.3363 -4.3363 1.7838 1.7838 2.5219 2.5219 3.4720 3.4720 4.1102 4.1102 4.6207 4.6207 5.0203 5.0203 6.0264 6.0264 9.7306 9.7306 10.9120 10.9120 11.4262 11.4262 12.1142 12.1142 k = 0.4231-0.5299 0.5255 ( 3124 PWs) bands (ev): -7.5407 -7.5407 -7.4840 -7.4840 -7.3954 -7.3954 -7.3649 -7.3649 -6.7406 -6.7406 -6.6983 -6.6983 -6.5424 -6.5424 -6.5094 -6.5094 -6.4232 -6.4232 -6.3354 -6.3354 -4.6376 -4.6376 -4.3309 -4.3309 1.7610 1.7610 2.5780 2.5780 3.4812 3.4812 4.1008 4.1008 4.6260 4.6260 5.0047 5.0047 6.0888 6.0888 9.7588 9.7588 10.9636 10.9636 11.4203 11.4203 12.1230 12.1230 k = 0.4135-0.5179 0.5135 ( 3125 PWs) bands (ev): -7.5403 -7.5403 -7.4829 -7.4829 -7.3954 -7.3954 -7.3643 -7.3643 -6.7409 -6.7409 -6.6963 -6.6963 -6.5431 -6.5431 -6.5087 -6.5087 -6.4236 -6.4236 -6.3357 -6.3357 -4.6652 -4.6652 -4.3253 -4.3253 1.7417 1.7417 2.6325 2.6325 3.4886 3.4886 4.0959 4.0959 4.6379 4.6379 4.9849 4.9849 6.1550 6.1550 9.7908 9.7908 11.0185 11.0185 11.4143 11.4143 12.1299 12.1299 k = 0.4038-0.5059 0.5016 ( 3121 PWs) bands (ev): -7.5399 -7.5399 -7.4818 -7.4818 -7.3954 -7.3954 -7.3636 -7.3636 -6.7411 -6.7411 -6.6941 -6.6941 -6.5439 -6.5439 -6.5080 -6.5080 -6.4240 -6.4240 -6.3360 -6.3360 -4.6952 -4.6952 -4.3193 -4.3193 1.7259 1.7259 2.6844 2.6844 3.4936 3.4936 4.0970 4.0970 4.6559 4.6559 4.9624 4.9624 6.2236 6.2236 9.8263 9.8263 11.0750 11.0750 11.4089 11.4089 12.1330 12.1330 k = 0.3942-0.4938 0.4896 ( 3117 PWs) bands (ev): -7.5394 -7.5394 -7.4806 -7.4806 -7.3954 -7.3954 -7.3629 -7.3629 -6.7412 -6.7412 -6.6918 -6.6918 -6.5448 -6.5448 -6.5073 -6.5073 -6.4244 -6.4244 -6.3363 -6.3363 -4.7272 -4.7272 -4.3131 -4.3131 1.7138 1.7138 2.7325 2.7325 3.4962 3.4962 4.1046 4.1046 4.6797 4.6797 4.9391 4.9391 6.2928 6.2928 9.8653 9.8653 11.1307 11.1307 11.4050 11.4050 12.1290 12.1290 k = 0.3846-0.4818 0.4777 ( 3118 PWs) bands (ev): -7.5388 -7.5388 -7.4794 -7.4794 -7.3953 -7.3953 -7.3621 -7.3621 -6.7412 -6.7412 -6.6894 -6.6894 -6.5456 -6.5456 -6.5065 -6.5065 -6.4248 -6.4248 -6.3367 -6.3367 -4.7612 -4.7612 -4.3065 -4.3065 1.7054 1.7054 2.7759 2.7759 3.4974 3.4974 4.1177 4.1177 4.7082 4.7082 4.9179 4.9179 6.3614 6.3614 9.9076 9.9076 11.1819 11.1819 11.4045 11.4045 12.1133 12.1133 k = 0.3750-0.4697 0.4658 ( 3120 PWs) bands (ev): -7.5382 -7.5382 -7.4782 -7.4782 -7.3952 -7.3952 -7.3614 -7.3614 -6.7411 -6.7411 -6.6869 -6.6869 -6.5465 -6.5465 -6.5058 -6.5058 -6.4252 -6.4252 -6.3371 -6.3371 -4.7970 -4.7970 -4.2997 -4.2997 1.7006 1.7006 2.8134 2.8134 3.4986 3.4986 4.1342 4.1342 4.7390 4.7390 4.9037 4.9037 6.4281 6.4281 9.9528 9.9528 11.2233 11.2233 11.4104 11.4104 12.0802 12.0802 k = 0.3654-0.4577 0.4538 ( 3124 PWs) bands (ev): -7.5375 -7.5375 -7.4770 -7.4770 -7.3950 -7.3950 -7.3606 -7.3606 -6.7410 -6.7410 -6.6843 -6.6843 -6.5474 -6.5474 -6.5052 -6.5052 -6.4256 -6.4256 -6.3376 -6.3376 -4.8343 -4.8343 -4.2925 -4.2925 1.6996 1.6996 2.8442 2.8442 3.5016 3.5016 4.1511 4.1511 4.7663 4.7663 4.9049 4.9049 6.4916 6.4916 10.0006 10.0006 11.2491 11.2491 11.4259 11.4259 12.0256 12.0256 k = 0.3558-0.4456 0.4419 ( 3122 PWs) bands (ev): -7.5368 -7.5368 -7.4759 -7.4759 -7.3947 -7.3947 -7.3598 -7.3598 -6.7407 -6.7407 -6.6816 -6.6816 -6.5483 -6.5483 -6.5045 -6.5045 -6.4260 -6.4260 -6.3381 -6.3381 -4.8730 -4.8730 -4.2850 -4.2850 1.7023 1.7023 2.8676 2.8676 3.5083 3.5083 4.1647 4.1647 4.7831 4.7831 4.9312 4.9312 6.5509 6.5509 10.0502 10.0502 11.2574 11.2574 11.4493 11.4493 11.9517 11.9517 k = 0.3462-0.4336 0.4299 ( 3122 PWs) bands (ev): -7.5361 -7.5361 -7.4748 -7.4748 -7.3943 -7.3943 -7.3590 -7.3590 -6.7403 -6.7403 -6.6789 -6.6789 -6.5491 -6.5491 -6.5039 -6.5039 -6.4264 -6.4264 -6.3387 -6.3387 -4.9130 -4.9130 -4.2772 -4.2772 1.7085 1.7085 2.8834 2.8834 3.5201 3.5201 4.1717 4.1717 4.7922 4.7922 4.9823 4.9823 6.6047 6.6047 10.1005 10.1005 11.2508 11.2508 11.4738 11.4738 11.8666 11.8666 k = 0.3365-0.4216 0.4180 ( 3117 PWs) bands (ev): -7.5353 -7.5353 -7.4738 -7.4738 -7.3939 -7.3939 -7.3582 -7.3582 -6.7399 -6.7399 -6.6760 -6.6760 -6.5500 -6.5500 -6.5034 -6.5034 -6.4268 -6.4268 -6.3392 -6.3392 -4.9539 -4.9539 -4.2690 -4.2690 1.7184 1.7184 2.8920 2.8920 3.5377 3.5377 4.1696 4.1696 4.8021 4.8021 5.0510 5.0510 6.6523 6.6523 10.1500 10.1500 11.2315 11.2315 11.4927 11.4927 11.7807 11.7807 k = 0.3269-0.4095 0.4060 ( 3119 PWs) bands (ev): -7.5345 -7.5345 -7.4729 -7.4729 -7.3933 -7.3933 -7.3575 -7.3575 -6.7393 -6.7393 -6.6732 -6.6732 -6.5509 -6.5509 -6.5029 -6.5029 -6.4271 -6.4271 -6.3399 -6.3399 -4.9958 -4.9958 -4.2606 -4.2606 1.7316 1.7316 2.8943 2.8943 3.5611 3.5611 4.1576 4.1576 4.8177 4.8177 5.1325 5.1325 6.6927 6.6927 10.1969 10.1969 11.1985 11.1985 11.5023 11.5023 11.7038 11.7038 k = 0.3173-0.3975 0.3941 ( 3118 PWs) bands (ev): -7.5336 -7.5336 -7.4721 -7.4721 -7.3927 -7.3927 -7.3567 -7.3567 -6.7386 -6.7386 -6.6703 -6.6703 -6.5517 -6.5517 -6.5025 -6.5025 -6.4274 -6.4274 -6.3405 -6.3405 -5.0383 -5.0383 -4.2518 -4.2518 1.7483 1.7483 2.8916 2.8916 3.5900 3.5900 4.1362 4.1362 4.8401 4.8401 5.2242 5.2242 6.7252 6.7252 10.2384 10.2384 11.1494 11.1494 11.5011 11.5011 11.6454 11.6454 k = 0.3077-0.3854 0.3822 ( 3122 PWs) bands (ev): -7.5328 -7.5328 -7.4714 -7.4714 -7.3920 -7.3920 -7.3560 -7.3560 -6.7378 -6.7378 -6.6673 -6.6673 -6.5525 -6.5525 -6.5022 -6.5022 -6.4276 -6.4276 -6.3412 -6.3412 -5.0812 -5.0812 -4.2427 -4.2427 1.7683 1.7683 2.8852 2.8852 3.6235 3.6235 4.1070 4.1070 4.8687 4.8687 5.3243 5.3243 6.7490 6.7490 10.2718 10.2718 11.0838 11.0838 11.4868 11.4868 11.6144 11.6144 k = 0.2981-0.3734 0.3702 ( 3125 PWs) bands (ev): -7.5319 -7.5319 -7.4709 -7.4709 -7.3912 -7.3912 -7.3552 -7.3552 -6.7368 -6.7368 -6.6644 -6.6644 -6.5533 -6.5533 -6.5020 -6.5020 -6.4279 -6.4279 -6.3419 -6.3419 -5.1246 -5.1246 -4.2333 -4.2333 1.7916 1.7916 2.8765 2.8765 3.6608 3.6608 4.0717 4.0717 4.9024 4.9024 5.4312 5.4312 6.7636 6.7636 10.2938 10.2938 11.0053 11.0053 11.4594 11.4594 11.6152 11.6152 k = 0.2885-0.3613 0.3583 ( 3127 PWs) bands (ev): -7.5309 -7.5309 -7.4704 -7.4704 -7.3903 -7.3903 -7.3546 -7.3546 -6.7358 -6.7358 -6.6614 -6.6614 -6.5540 -6.5540 -6.5018 -6.5018 -6.4280 -6.4280 -6.3427 -6.3427 -5.1680 -5.1680 -4.2237 -4.2237 1.8179 1.8179 2.8667 2.8667 3.7009 3.7009 4.0322 4.0322 4.9401 4.9401 5.5433 5.5433 6.7687 6.7687 10.3016 10.3016 10.9194 10.9194 11.4256 11.4256 11.6431 11.6431 k = 0.2788-0.3493 0.3463 ( 3125 PWs) bands (ev): -7.5300 -7.5300 -7.4702 -7.4702 -7.3893 -7.3893 -7.3539 -7.3539 -6.7347 -6.7347 -6.6585 -6.6585 -6.5546 -6.5546 -6.5018 -6.5018 -6.4281 -6.4281 -6.3435 -6.3435 -5.2115 -5.2115 -4.2138 -4.2138 1.8472 1.8472 2.8567 2.8567 3.7429 3.7429 3.9904 3.9904 4.9809 4.9809 5.6592 5.6592 6.7641 6.7641 10.2930 10.2930 10.8319 10.8319 11.3918 11.3918 11.6928 11.6928 k = 0.2692-0.3372 0.3344 ( 3126 PWs) bands (ev): -7.5291 -7.5291 -7.4700 -7.4700 -7.3882 -7.3882 -7.3533 -7.3533 -6.7335 -6.7335 -6.6555 -6.6555 -6.5552 -6.5552 -6.5018 -6.5018 -6.4282 -6.4282 -6.3443 -6.3443 -5.2548 -5.2548 -4.2036 -4.2036 1.8794 1.8794 2.8474 2.8474 3.7846 3.7846 3.9489 3.9489 5.0241 5.0241 5.7774 5.7774 6.7496 6.7496 10.2668 10.2668 10.7482 10.7482 11.3609 11.3609 11.7613 11.7613 k = 0.2596-0.3252 0.3224 ( 3120 PWs) bands (ev): -7.5281 -7.5281 -7.4700 -7.4700 -7.3871 -7.3871 -7.3527 -7.3527 -6.7323 -6.7323 -6.6526 -6.6526 -6.5557 -6.5557 -6.5020 -6.5020 -6.4282 -6.4282 -6.3451 -6.3451 -5.2979 -5.2979 -4.1933 -4.1933 1.9144 1.9144 2.8394 2.8394 3.8183 3.8183 3.9160 3.9160 5.0690 5.0690 5.8963 5.8963 6.7255 6.7255 10.2235 10.2235 10.6726 10.6726 11.3341 11.3341 11.8458 11.8458 k = 0.2500-0.3132 0.3105 ( 3117 PWs) bands (ev): -7.5271 -7.5271 -7.4702 -7.4702 -7.3858 -7.3858 -7.3522 -7.3522 -6.7309 -6.7309 -6.6498 -6.6498 -6.5561 -6.5561 -6.5022 -6.5022 -6.4282 -6.4282 -6.3460 -6.3460 -5.3405 -5.3405 -4.1828 -4.1828 1.9519 1.9519 2.8332 2.8332 3.8170 3.8170 3.9191 3.9191 5.1153 5.1153 6.0142 6.0142 6.6921 6.6921 10.1653 10.1653 10.6075 10.6075 11.3118 11.3118 11.9434 11.9434 k = 0.2404-0.3011 0.2986 ( 3117 PWs) bands (ev): -7.5261 -7.5261 -7.4704 -7.4704 -7.3846 -7.3846 -7.3517 -7.3517 -6.7294 -6.7294 -6.6470 -6.6470 -6.5564 -6.5564 -6.5025 -6.5025 -6.4281 -6.4281 -6.3468 -6.3468 -5.3825 -5.3825 -4.1722 -4.1722 1.9919 1.9919 2.8291 2.8291 3.7821 3.7821 3.9568 3.9568 5.1626 5.1626 6.1293 6.1293 6.6500 6.6500 10.0966 10.0966 10.5536 10.5536 11.2937 11.2937 12.0506 12.0506 k = 0.2308-0.2891 0.2866 ( 3111 PWs) bands (ev): -7.5251 -7.5251 -7.4708 -7.4708 -7.3832 -7.3832 -7.3513 -7.3513 -6.7279 -6.7279 -6.6444 -6.6444 -6.5565 -6.5565 -6.5029 -6.5029 -6.4280 -6.4280 -6.3477 -6.3477 -5.4239 -5.4239 -4.1615 -4.1615 2.0341 2.0341 2.8276 2.8276 3.7393 3.7393 4.0039 4.0039 5.2105 5.2105 6.2395 6.2395 6.6000 6.6000 10.0227 10.0227 10.5102 10.5102 11.2795 11.2795 12.1628 12.1628 k = 0.2212-0.2770 0.2747 ( 3113 PWs) bands (ev): -7.5241 -7.5241 -7.4713 -7.4713 -7.3819 -7.3819 -7.3509 -7.3509 -6.7263 -6.7263 -6.6419 -6.6419 -6.5565 -6.5565 -6.5034 -6.5034 -6.4279 -6.4279 -6.3486 -6.3486 -5.4645 -5.4645 -4.1507 -4.1507 2.0783 2.0783 2.8289 2.8289 3.6950 3.6950 4.0538 4.0538 5.2587 5.2587 6.3416 6.3416 6.5439 6.5439 9.9493 9.9493 10.4758 10.4758 11.2688 11.2688 12.2732 12.2732 k = 0.2115-0.2650 0.2627 ( 3111 PWs) bands (ev): -7.5231 -7.5231 -7.4719 -7.4719 -7.3805 -7.3805 -7.3506 -7.3506 -6.7247 -6.7247 -6.6396 -6.6396 -6.5562 -6.5562 -6.5039 -6.5039 -6.4277 -6.4277 -6.3496 -6.3496 -5.5041 -5.5041 -4.1399 -4.1399 2.1244 2.1244 2.8332 2.8332 3.6512 3.6512 4.1048 4.1048 5.3069 5.3069 6.4224 6.4224 6.4937 6.4937 9.8811 9.8811 10.4493 10.4493 11.2613 11.2613 12.3709 12.3709 k = 0.2019-0.2529 0.2508 ( 3110 PWs) bands (ev): -7.5221 -7.5221 -7.4726 -7.4726 -7.3790 -7.3790 -7.3503 -7.3503 -6.7229 -6.7229 -6.6374 -6.6374 -6.5558 -6.5558 -6.5046 -6.5046 -6.4275 -6.4275 -6.3505 -6.3505 -5.5427 -5.5427 -4.1291 -4.1291 2.1720 2.1720 2.8406 2.8406 3.6086 3.6086 4.1564 4.1564 5.3547 5.3547 6.3948 6.3948 6.5351 6.5351 9.8222 9.8222 10.4299 10.4299 11.2567 11.2567 12.4406 12.4406 k = 0.1923-0.2409 0.2388 ( 3112 PWs) bands (ev): -7.5211 -7.5211 -7.4734 -7.4734 -7.3776 -7.3776 -7.3500 -7.3500 -6.7212 -6.7212 -6.6355 -6.6355 -6.5551 -6.5551 -6.5052 -6.5052 -6.4274 -6.4274 -6.3514 -6.3514 -5.5802 -5.5802 -4.1184 -4.1184 2.2208 2.2208 2.8514 2.8514 3.5676 3.5676 4.2079 4.2079 5.4016 5.4016 6.3232 6.3232 6.6025 6.6025 9.7762 9.7762 10.4170 10.4170 11.2550 11.2550 12.4711 12.4711 k = 0.1827-0.2288 0.2269 ( 3111 PWs) bands (ev): -7.5201 -7.5201 -7.4743 -7.4743 -7.3762 -7.3762 -7.3498 -7.3498 -6.7193 -6.7193 -6.6339 -6.6339 -6.5542 -6.5542 -6.5059 -6.5059 -6.4272 -6.4272 -6.3523 -6.3523 -5.6165 -5.6165 -4.1078 -4.1078 2.2705 2.2705 2.8655 2.8655 3.5286 3.5286 4.2591 4.2591 5.4473 5.4473 6.2451 6.2451 6.6575 6.6575 9.7456 9.7456 10.4104 10.4104 11.2559 11.2559 12.4654 12.4654 k = 0.1731-0.2168 0.2150 ( 3112 PWs) bands (ev): -7.5191 -7.5191 -7.4753 -7.4753 -7.3748 -7.3748 -7.3497 -7.3497 -6.7174 -6.7174 -6.6325 -6.6325 -6.5531 -6.5531 -6.5067 -6.5067 -6.4271 -6.4271 -6.3532 -6.3532 -5.6515 -5.6515 -4.0974 -4.0974 2.3206 2.3206 2.8831 2.8831 3.4920 3.4920 4.3095 4.3095 5.4911 5.4911 6.1641 6.1641 6.6966 6.6966 9.7319 9.7319 10.4098 10.4098 11.2596 11.2596 12.4343 12.4343 k = 0.1635-0.2048 0.2030 ( 3110 PWs) bands (ev): -7.5181 -7.5181 -7.4763 -7.4763 -7.3733 -7.3733 -7.3496 -7.3496 -6.7155 -6.7155 -6.6314 -6.6314 -6.5517 -6.5517 -6.5075 -6.5075 -6.4270 -6.4270 -6.3541 -6.3541 -5.6851 -5.6851 -4.0872 -4.0872 2.3708 2.3708 2.9042 2.9042 3.4581 3.4581 4.3589 4.3589 5.5321 5.5321 6.0819 6.0819 6.7187 6.7187 9.7357 9.7357 10.4152 10.4152 11.2660 11.2660 12.3872 12.3872 k = 0.1538-0.1927 0.1911 ( 3108 PWs) bands (ev): -7.5170 -7.5170 -7.4774 -7.4774 -7.3720 -7.3720 -7.3496 -7.3496 -6.7135 -6.7135 -6.6306 -6.6306 -6.5500 -6.5500 -6.5082 -6.5082 -6.4270 -6.4270 -6.3550 -6.3550 -5.7172 -5.7172 -4.0772 -4.0772 2.4204 2.4204 2.9287 2.9287 3.4273 3.4273 4.4068 4.4068 5.5689 5.5689 6.0008 6.0008 6.7241 6.7241 9.7561 9.7561 10.4270 10.4270 11.2753 11.2753 12.3307 12.3307 k = 0.1442-0.1807 0.1791 ( 3112 PWs) bands (ev): -7.5160 -7.5160 -7.4786 -7.4786 -7.3706 -7.3706 -7.3496 -7.3496 -6.7115 -6.7115 -6.6302 -6.6302 -6.5481 -6.5481 -6.5090 -6.5090 -6.4270 -6.4270 -6.3559 -6.3559 -5.7478 -5.7478 -4.0676 -4.0676 2.4689 2.4689 2.9565 2.9565 3.4000 3.4000 4.4527 4.4527 5.5986 5.5986 5.9239 5.9239 6.7140 6.7140 9.7911 9.7911 10.4456 10.4456 11.2877 11.2877 12.2691 12.2691 k = 0.1346-0.1686 0.1672 ( 3110 PWs) bands (ev): -7.5150 -7.5150 -7.4798 -7.4798 -7.3693 -7.3693 -7.3496 -7.3496 -6.7095 -6.7095 -6.6300 -6.6300 -6.5460 -6.5460 -6.5098 -6.5098 -6.4270 -6.4270 -6.3567 -6.3567 -5.7767 -5.7767 -4.0583 -4.0583 2.5157 2.5157 2.9874 2.9874 3.3766 3.3766 4.4963 4.4963 5.6153 5.6153 5.8577 5.8577 6.6904 6.6904 9.8372 9.8372 10.4716 10.4716 11.3036 11.3036 12.2059 12.2059 k = 0.1250-0.1566 0.1553 ( 3108 PWs) bands (ev): -7.5140 -7.5140 -7.4810 -7.4810 -7.3680 -7.3680 -7.3497 -7.3497 -6.7074 -6.7074 -6.6300 -6.6300 -6.5437 -6.5437 -6.5106 -6.5106 -6.4272 -6.4272 -6.3575 -6.3575 -5.8040 -5.8040 -4.0494 -4.0494 2.5601 2.5601 3.0210 3.0210 3.3576 3.3576 4.5370 4.5370 5.6081 5.6081 5.8136 5.8136 6.6563 6.6563 9.8903 9.8903 10.5059 10.5059 11.3233 11.3233 12.1435 12.1435 k = 0.1154-0.1445 0.1433 ( 3109 PWs) bands (ev): -7.5129 -7.5129 -7.4822 -7.4822 -7.3667 -7.3667 -7.3498 -7.3498 -6.7053 -6.7053 -6.6304 -6.6304 -6.5412 -6.5412 -6.5113 -6.5113 -6.4274 -6.4274 -6.3583 -6.3583 -5.8296 -5.8296 -4.0409 -4.0409 2.6016 2.6016 3.0567 3.0567 3.3437 3.3437 4.5740 4.5740 5.5706 5.5706 5.7981 5.7981 6.6146 6.6146 9.9459 9.9459 10.5489 10.5489 11.3478 11.3478 12.0839 12.0839 k = 0.1058-0.1325 0.1314 ( 3110 PWs) bands (ev): -7.5119 -7.5119 -7.4835 -7.4835 -7.3655 -7.3655 -7.3500 -7.3500 -6.7032 -6.7032 -6.6309 -6.6309 -6.5387 -6.5387 -6.5120 -6.5120 -6.4277 -6.4277 -6.3590 -6.3590 -5.8533 -5.8533 -4.0330 -4.0330 2.6394 2.6394 3.0936 3.0936 3.3355 3.3355 4.6068 4.6068 5.5149 5.5149 5.7996 5.7996 6.5688 6.5688 9.9997 9.9997 10.6002 10.6002 11.3781 11.3781 12.0289 12.0289 k = 0.0962-0.1204 0.1194 ( 3108 PWs) bands (ev): -7.5108 -7.5108 -7.4848 -7.4848 -7.3644 -7.3644 -7.3502 -7.3502 -6.7012 -6.7012 -6.6316 -6.6316 -6.5361 -6.5361 -6.5127 -6.5127 -6.4280 -6.4280 -6.3597 -6.3597 -5.8752 -5.8752 -4.0256 -4.0256 2.6730 2.6730 3.1309 3.1309 3.3336 3.3336 4.6345 4.6345 5.4546 5.4546 5.8046 5.8046 6.5223 6.5223 10.0487 10.0487 10.6581 10.6581 11.4158 11.4158 11.9797 11.9797 k = 0.0865-0.1084 0.1075 ( 3107 PWs) bands (ev): -7.5098 -7.5098 -7.4861 -7.4861 -7.3632 -7.3632 -7.3504 -7.3504 -6.6991 -6.6991 -6.6325 -6.6325 -6.5335 -6.5335 -6.5133 -6.5133 -6.4284 -6.4284 -6.3603 -6.3603 -5.8952 -5.8952 -4.0187 -4.0187 2.7020 2.7020 3.1673 3.1673 3.3384 3.3384 4.6564 4.6564 5.3968 5.3968 5.8062 5.8062 6.4782 6.4782 10.0913 10.0913 10.7190 10.7190 11.4625 11.4625 11.9377 11.9377 k = 0.0769-0.0964 0.0955 ( 3106 PWs) bands (ev): -7.5087 -7.5087 -7.4874 -7.4874 -7.3622 -7.3622 -7.3507 -7.3507 -6.6972 -6.6972 -6.6335 -6.6335 -6.5310 -6.5310 -6.5138 -6.5138 -6.4289 -6.4289 -6.3609 -6.3609 -5.9132 -5.9132 -4.0125 -4.0125 2.7262 2.7262 3.2019 3.2019 3.3496 3.3496 4.6716 4.6716 5.3452 5.3452 5.8015 5.8015 6.4394 6.4394 10.1272 10.1272 10.7780 10.7780 11.5201 11.5201 11.9035 11.9035 k = 0.0673-0.0843 0.0836 ( 3105 PWs) bands (ev): -7.5076 -7.5076 -7.4886 -7.4886 -7.3612 -7.3612 -7.3510 -7.3510 -6.6953 -6.6953 -6.6345 -6.6345 -6.5286 -6.5286 -6.5142 -6.5142 -6.4294 -6.4294 -6.3614 -6.3614 -5.9292 -5.9292 -4.0069 -4.0069 2.7458 2.7458 3.2341 3.2341 3.3663 3.3663 4.6800 4.6800 5.3018 5.3018 5.7895 5.7895 6.4076 6.4076 10.1568 10.1568 10.8308 10.8308 11.5894 11.5894 11.8779 11.8779 k = 0.0577-0.0723 0.0717 ( 3103 PWs) bands (ev): -7.5066 -7.5066 -7.4899 -7.4899 -7.3603 -7.3603 -7.3513 -7.3513 -6.6935 -6.6935 -6.6356 -6.6356 -6.5265 -6.5265 -6.5145 -6.5145 -6.4300 -6.4300 -6.3618 -6.3618 -5.9432 -5.9432 -4.0020 -4.0020 2.7609 2.7609 3.2640 3.2640 3.3863 3.3863 4.6817 4.6817 5.2676 5.2676 5.7708 5.7708 6.3836 6.3836 10.1808 10.1808 10.8741 10.8741 11.6692 11.6692 11.8610 11.8610 k = 0.0481-0.0602 0.0597 ( 3104 PWs) bands (ev): -7.5055 -7.5055 -7.4911 -7.4911 -7.3594 -7.3594 -7.3517 -7.3517 -6.6919 -6.6919 -6.6366 -6.6366 -6.5247 -6.5247 -6.5146 -6.5146 -6.4305 -6.4305 -6.3622 -6.3622 -5.9551 -5.9551 -3.9979 -3.9979 2.7722 2.7722 3.2917 3.2917 3.4069 3.4069 4.6780 4.6780 5.2423 5.2423 5.7475 5.7475 6.3668 6.3668 10.2002 10.2002 10.9071 10.9071 11.7542 11.7542 11.8542 11.8542 k = 0.0385-0.0482 0.0478 ( 3105 PWs) bands (ev): -7.5045 -7.5045 -7.4922 -7.4922 -7.3586 -7.3586 -7.3521 -7.3521 -6.6905 -6.6905 -6.6376 -6.6376 -6.5232 -6.5232 -6.5146 -6.5146 -6.4310 -6.4310 -6.3625 -6.3625 -5.9648 -5.9648 -3.9944 -3.9944 2.7802 2.7802 3.3170 3.3170 3.4258 3.4258 4.6706 4.6706 5.2250 5.2250 5.7226 5.7226 6.3559 6.3559 10.2153 10.2153 10.9304 10.9304 11.8192 11.8192 11.8762 11.8762 k = 0.0288-0.0361 0.0358 ( 3106 PWs) bands (ev): -7.5036 -7.5036 -7.4933 -7.4933 -7.3580 -7.3580 -7.3524 -7.3524 -6.6894 -6.6894 -6.6384 -6.6384 -6.5222 -6.5222 -6.5144 -6.5144 -6.4315 -6.4315 -6.3628 -6.3628 -5.9725 -5.9725 -3.9917 -3.9917 2.7857 2.7857 3.3394 3.3394 3.4410 3.4410 4.6620 4.6620 5.2139 5.2139 5.6991 5.6991 6.3494 6.3494 10.2267 10.2267 10.9459 10.9459 11.8331 11.8331 11.9492 11.9492 k = 0.0192-0.0241 0.0239 ( 3105 PWs) bands (ev): -7.5028 -7.5028 -7.4941 -7.4941 -7.3574 -7.3574 -7.3528 -7.3528 -6.6885 -6.6885 -6.6390 -6.6390 -6.5215 -6.5215 -6.5141 -6.5141 -6.4318 -6.4318 -6.3629 -6.3629 -5.9779 -5.9779 -3.9897 -3.9897 2.7892 2.7892 3.3573 3.3573 3.4518 3.4518 4.6541 4.6541 5.2075 5.2075 5.6800 5.6800 6.3458 6.3458 10.2347 10.2347 10.9554 10.9554 11.8374 11.8374 12.0204 12.0204 k = 0.0096-0.0120 0.0119 ( 3104 PWs) bands (ev): -7.5022 -7.5022 -7.4948 -7.4948 -7.3570 -7.3570 -7.3530 -7.3530 -6.6880 -6.6880 -6.6394 -6.6394 -6.5211 -6.5211 -6.5139 -6.5139 -6.4320 -6.4320 -6.3630 -6.3630 -5.9812 -5.9812 -3.9886 -3.9886 2.7911 2.7911 3.3691 3.3691 3.4579 3.4579 4.6487 4.6487 5.2042 5.2042 5.6676 5.6676 6.3441 6.3441 10.2394 10.2394 10.9605 10.9605 11.8401 11.8401 12.0697 12.0697 k = 0.0000 0.0000 0.0000 ( 3105 PWs) bands (ev): -7.5020 -7.5020 -7.4950 -7.4950 -7.3569 -7.3569 -7.3531 -7.3531 -6.6878 -6.6878 -6.6396 -6.6396 -6.5210 -6.5210 -6.5139 -6.5139 -6.4321 -6.4321 -6.3631 -6.3631 -5.9823 -5.9823 -3.9882 -3.9882 2.7918 2.7918 3.3732 3.3732 3.4598 3.4598 4.6468 4.6468 5.2032 5.2032 5.6633 5.6633 6.3436 6.3436 10.2410 10.2410 10.9621 10.9621 11.8411 11.8411 12.0874 12.0874 Writing output data file InSe.save init_run : 0.23s CPU 0.35s WALL ( 1 calls) electrons : 95.22s CPU 97.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 95.20s CPU 97.03s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 346 calls) cegterg : 87.47s CPU 88.85s WALL ( 395 calls) Called by sum_band: Called by *egterg: h_psi : 46.75s CPU 47.67s WALL ( 6869 calls) s_psi : 3.42s CPU 3.55s WALL ( 6869 calls) g_psi : 0.16s CPU 0.14s WALL ( 6128 calls) cdiaghg : 34.62s CPU 35.01s WALL ( 6474 calls) cegterg:over : 3.39s CPU 3.47s WALL ( 6128 calls) cegterg:upda : 2.41s CPU 2.42s WALL ( 6128 calls) cegterg:last : 1.53s CPU 1.62s WALL ( 1087 calls) cdiaghg:chol : 1.86s CPU 1.87s WALL ( 6474 calls) cdiaghg:inve : 1.24s CPU 1.21s WALL ( 6474 calls) cdiaghg:para : 2.02s CPU 1.99s WALL ( 12948 calls) Called by h_psi: h_psi:vloc : 41.68s CPU 42.38s WALL ( 6869 calls) h_psi:vnl : 4.96s CPU 5.18s WALL ( 6869 calls) add_vuspsi : 2.64s CPU 2.70s WALL ( 6869 calls) General routines calbec : 2.32s CPU 2.46s WALL ( 6869 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 38.17s CPU 38.85s WALL ( 637584 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.16s WALL ( 692 calls) Parallel routines fft_scatter : 15.50s CPU 15.65s WALL ( 637607 calls) PWSCF : 1m48.28s CPU 2m 4.17s WALL This run was terminated on: 19:53:32 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=