Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:11: 8 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./BaN2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S 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 40 21 6 2006 805 128 Max 41 22 7 2012 825 132 Sum 1441 785 235 72333 29329 4671 bravais-lattice index = 14 lattice parameter (alat) = 7.9504 a.u. unit-cell volume = 744.6232 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.950386 celldm(2)= 1.000000 celldm(3)= 1.720708 celldm(4)= 0.218900 celldm(5)= 0.218900 celldm(6)= 0.454034 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.454034 0.890985 0.000000 ) a(3) = ( 0.376663 0.230807 1.663036 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.509587 -0.155767 ) b(2) = ( 0.000000 1.122354 -0.155767 ) b(3) = ( 0.000000 0.000000 0.601310 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 Ba 10.00 137.32700 Ba( 1.00) N 5.00 14.00670 N( 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= 356 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0108696 0.0066605 -0.0033862), wk = 0.0028090 k( 3) = ( 0.0217391 0.0133210 -0.0067725), wk = 0.0028090 k( 4) = ( 0.0326087 0.0199815 -0.0101587), wk = 0.0028090 k( 5) = ( 0.0434783 0.0266421 -0.0135450), wk = 0.0028090 k( 6) = ( 0.0543478 0.0333026 -0.0169312), wk = 0.0028090 k( 7) = ( 0.0652174 0.0399631 -0.0203175), wk = 0.0028090 k( 8) = ( 0.0760870 0.0466236 -0.0237037), wk = 0.0028090 k( 9) = ( 0.0869565 0.0532841 -0.0270900), wk = 0.0028090 k( 10) = ( 0.0978261 0.0599446 -0.0304762), wk = 0.0028090 k( 11) = ( 0.1086957 0.0666052 -0.0338625), wk = 0.0028090 k( 12) = ( 0.1195652 0.0732657 -0.0372487), wk = 0.0028090 k( 13) = ( 0.1304348 0.0799262 -0.0406350), wk = 0.0028090 k( 14) = ( 0.1413043 0.0865867 -0.0440212), wk = 0.0028090 k( 15) = ( 0.1521739 0.0932472 -0.0474075), wk = 0.0028090 k( 16) = ( 0.1630435 0.0999077 -0.0507937), wk = 0.0028090 k( 17) = ( 0.1739130 0.1065682 -0.0541799), wk = 0.0028090 k( 18) = ( 0.1847826 0.1132288 -0.0575662), wk = 0.0028090 k( 19) = ( 0.1956522 0.1198893 -0.0609524), wk = 0.0028090 k( 20) = ( 0.2065217 0.1265498 -0.0643387), wk = 0.0028090 k( 21) = ( 0.2173913 0.1332103 -0.0677249), wk = 0.0028090 k( 22) = ( 0.2282609 0.1398708 -0.0711112), wk = 0.0028090 k( 23) = ( 0.2391304 0.1465313 -0.0744974), wk = 0.0028090 k( 24) = ( 0.2500000 0.1531919 -0.0778837), wk = 0.0028090 k( 25) = ( 0.2608696 0.1598524 -0.0812699), wk = 0.0028090 k( 26) = ( 0.2717391 0.1665129 -0.0846562), wk = 0.0028090 k( 27) = ( 0.2826087 0.1731734 -0.0880424), wk = 0.0028090 k( 28) = ( 0.2934783 0.1798339 -0.0914287), wk = 0.0028090 k( 29) = ( 0.3043478 0.1864944 -0.0948149), wk = 0.0028090 k( 30) = ( 0.3152174 0.1931550 -0.0982012), wk = 0.0028090 k( 31) = ( 0.3260870 0.1998155 -0.1015874), wk = 0.0028090 k( 32) = ( 0.3369565 0.2064760 -0.1049736), wk = 0.0028090 k( 33) = ( 0.3478261 0.2131365 -0.1083599), wk = 0.0028090 k( 34) = ( 0.3586956 0.2197970 -0.1117461), wk = 0.0028090 k( 35) = ( 0.3695652 0.2264575 -0.1151324), wk = 0.0028090 k( 36) = ( 0.3804348 0.2331180 -0.1185186), wk = 0.0028090 k( 37) = ( 0.3913044 0.2397786 -0.1219049), wk = 0.0028090 k( 38) = ( 0.4021739 0.2464391 -0.1252911), wk = 0.0028090 k( 39) = ( 0.4130435 0.2530996 -0.1286774), wk = 0.0028090 k( 40) = ( 0.4239130 0.2597601 -0.1320636), wk = 0.0028090 k( 41) = ( 0.4347826 0.2664206 -0.1354499), wk = 0.0028090 k( 42) = ( 0.4456522 0.2730811 -0.1388361), wk = 0.0028090 k( 43) = ( 0.4565217 0.2797417 -0.1422224), wk = 0.0028090 k( 44) = ( 0.4673913 0.2864022 -0.1456086), wk = 0.0028090 k( 45) = ( 0.4782609 0.2930627 -0.1489949), wk = 0.0028090 k( 46) = ( 0.4891304 0.2997232 -0.1523811), wk = 0.0028090 k( 47) = ( 0.5000000 0.3063837 -0.1557673), wk = 0.0028090 k( 48) = ( 0.5000000 0.3063837 -0.1557673), wk = 0.0028090 k( 49) = ( 0.5027346 0.3080594 -0.1436934), wk = 0.0028090 k( 50) = ( 0.5054693 0.3097351 -0.1316194), wk = 0.0028090 k( 51) = ( 0.5082039 0.3114108 -0.1195455), wk = 0.0028090 k( 52) = ( 0.5109386 0.3130865 -0.1074715), wk = 0.0028090 k( 53) = ( 0.5136732 0.3147622 -0.0953975), wk = 0.0028090 k( 54) = ( 0.5164079 0.3164379 -0.0833236), wk = 0.0028090 k( 55) = ( 0.5191425 0.3181136 -0.0712496), wk = 0.0028090 k( 56) = ( 0.5218772 0.3197893 -0.0591756), wk = 0.0028090 k( 57) = ( 0.5246118 0.3214650 -0.0471017), wk = 0.0028090 k( 58) = ( 0.5273464 0.3231407 -0.0350277), wk = 0.0028090 k( 59) = ( 0.5300811 0.3248164 -0.0229538), wk = 0.0028090 k( 60) = ( 0.5328157 0.3264921 -0.0108798), wk = 0.0028090 k( 61) = ( 0.5328157 0.3264921 -0.0108798), wk = 0.0028090 k( 62) = ( 0.5300811 0.3248164 0.0021008), wk = 0.0028090 k( 63) = ( 0.5273464 0.3231407 0.0150814), wk = 0.0028090 k( 64) = ( 0.5246118 0.3214650 0.0280620), wk = 0.0028090 k( 65) = ( 0.5218772 0.3197893 0.0410427), wk = 0.0028090 k( 66) = ( 0.5191425 0.3181136 0.0540233), wk = 0.0028090 k( 67) = ( 0.5164079 0.3164379 0.0670039), wk = 0.0028090 k( 68) = ( 0.5136732 0.3147622 0.0799845), wk = 0.0028090 k( 69) = ( 0.5109386 0.3130865 0.0929651), wk = 0.0028090 k( 70) = ( 0.5082039 0.3114108 0.1059457), wk = 0.0028090 k( 71) = ( 0.5054693 0.3097351 0.1189263), wk = 0.0028090 k( 72) = ( 0.5027346 0.3080594 0.1319069), wk = 0.0028090 k( 73) = ( 0.5000000 0.3063837 0.1448876), wk = 0.0028090 k( 74) = ( 0.5000000 0.3063837 0.1448876), wk = 0.0028090 k( 75) = ( 0.5067336 0.2953948 0.1448876), wk = 0.0028090 k( 76) = ( 0.5134673 0.2844060 0.1448876), wk = 0.0028090 k( 77) = ( 0.5202009 0.2734171 0.1448876), wk = 0.0028090 k( 78) = ( 0.5269345 0.2624282 0.1448876), wk = 0.0028090 k( 79) = ( 0.5336681 0.2514393 0.1448876), wk = 0.0028090 k( 80) = ( 0.5404018 0.2404505 0.1448876), wk = 0.0028090 k( 81) = ( 0.5471354 0.2294616 0.1448876), wk = 0.0028090 k( 82) = ( 0.5538690 0.2184727 0.1448876), wk = 0.0028090 k( 83) = ( 0.5606026 0.2074838 0.1448876), wk = 0.0028090 k( 84) = ( 0.5673363 0.1964949 0.1448876), wk = 0.0028090 k( 85) = ( 0.5740699 0.1855061 0.1448876), wk = 0.0028090 k( 86) = ( 0.5808035 0.1745172 0.1448876), wk = 0.0028090 k( 87) = ( 0.5875372 0.1635283 0.1448876), wk = 0.0028090 k( 88) = ( 0.5942708 0.1525394 0.1448876), wk = 0.0028090 k( 89) = ( 0.6010044 0.1415505 0.1448876), wk = 0.0028090 k( 90) = ( 0.6077380 0.1305616 0.1448876), wk = 0.0028090 k( 91) = ( 0.6144717 0.1195728 0.1448876), wk = 0.0028090 k( 92) = ( 0.6212053 0.1085839 0.1448876), wk = 0.0028090 k( 93) = ( 0.6279389 0.0975950 0.1448876), wk = 0.0028090 k( 94) = ( 0.6346726 0.0866061 0.1448876), wk = 0.0028090 k( 95) = ( 0.6414062 0.0756173 0.1448876), wk = 0.0028090 k( 96) = ( 0.6481398 0.0646284 0.1448876), wk = 0.0028090 k( 97) = ( 0.6548734 0.0536395 0.1448876), wk = 0.0028090 k( 98) = ( 0.6616071 0.0426506 0.1448876), wk = 0.0028090 k( 99) = ( 0.6683407 0.0316617 0.1448876), wk = 0.0028090 k( 100) = ( 0.6750743 0.0206729 0.1448876), wk = 0.0028090 k( 101) = ( 0.3249257 -0.5302594 0.3006549), wk = 0.0028090 k( 102) = ( 0.3180124 -0.5189773 0.3006549), wk = 0.0028090 k( 103) = ( 0.3110991 -0.5076952 0.3006549), wk = 0.0028090 k( 104) = ( 0.3041857 -0.4964130 0.3006549), wk = 0.0028090 k( 105) = ( 0.2972724 -0.4851309 0.3006549), wk = 0.0028090 k( 106) = ( 0.2903591 -0.4738488 0.3006549), wk = 0.0028090 k( 107) = ( 0.2834458 -0.4625667 0.3006549), wk = 0.0028090 k( 108) = ( 0.2765325 -0.4512846 0.3006549), wk = 0.0028090 k( 109) = ( 0.2696192 -0.4400025 0.3006549), wk = 0.0028090 k( 110) = ( 0.2627059 -0.4287204 0.3006549), wk = 0.0028090 k( 111) = ( 0.2557926 -0.4174382 0.3006549), wk = 0.0028090 k( 112) = ( 0.2488792 -0.4061561 0.3006549), wk = 0.0028090 k( 113) = ( 0.2419659 -0.3948740 0.3006549), wk = 0.0028090 k( 114) = ( 0.2350526 -0.3835919 0.3006549), wk = 0.0028090 k( 115) = ( 0.2281393 -0.3723098 0.3006549), wk = 0.0028090 k( 116) = ( 0.2212260 -0.3610277 0.3006549), wk = 0.0028090 k( 117) = ( 0.2143127 -0.3497456 0.3006549), wk = 0.0028090 k( 118) = ( 0.2073994 -0.3384634 0.3006549), wk = 0.0028090 k( 119) = ( 0.2004861 -0.3271813 0.3006549), wk = 0.0028090 k( 120) = ( 0.1935727 -0.3158992 0.3006549), wk = 0.0028090 k( 121) = ( 0.1866594 -0.3046171 0.3006549), wk = 0.0028090 k( 122) = ( 0.1797461 -0.2933350 0.3006549), wk = 0.0028090 k( 123) = ( 0.1728328 -0.2820529 0.3006549), wk = 0.0028090 k( 124) = ( 0.1659195 -0.2707708 0.3006549), wk = 0.0028090 k( 125) = ( 0.1590062 -0.2594886 0.3006549), wk = 0.0028090 k( 126) = ( 0.1520929 -0.2482065 0.3006549), wk = 0.0028090 k( 127) = ( 0.1451796 -0.2369244 0.3006549), wk = 0.0028090 k( 128) = ( 0.1382663 -0.2256423 0.3006549), wk = 0.0028090 k( 129) = ( 0.1313529 -0.2143602 0.3006549), wk = 0.0028090 k( 130) = ( 0.1244396 -0.2030781 0.3006549), wk = 0.0028090 k( 131) = ( 0.1175263 -0.1917959 0.3006549), wk = 0.0028090 k( 132) = ( 0.1106130 -0.1805138 0.3006549), wk = 0.0028090 k( 133) = ( 0.1036997 -0.1692317 0.3006549), wk = 0.0028090 k( 134) = ( 0.0967864 -0.1579496 0.3006549), wk = 0.0028090 k( 135) = ( 0.0898731 -0.1466675 0.3006549), wk = 0.0028090 k( 136) = ( 0.0829597 -0.1353854 0.3006549), wk = 0.0028090 k( 137) = ( 0.0760464 -0.1241033 0.3006549), wk = 0.0028090 k( 138) = ( 0.0691331 -0.1128212 0.3006549), wk = 0.0028090 k( 139) = ( 0.0622198 -0.1015390 0.3006549), wk = 0.0028090 k( 140) = ( 0.0553065 -0.0902569 0.3006549), wk = 0.0028090 k( 141) = ( 0.0483932 -0.0789748 0.3006549), wk = 0.0028090 k( 142) = ( 0.0414799 -0.0676927 0.3006549), wk = 0.0028090 k( 143) = ( 0.0345666 -0.0564106 0.3006549), wk = 0.0028090 k( 144) = ( 0.0276533 -0.0451285 0.3006549), wk = 0.0028090 k( 145) = ( 0.0207399 -0.0338463 0.3006549), wk = 0.0028090 k( 146) = ( 0.0138266 -0.0225642 0.3006549), wk = 0.0028090 k( 147) = ( 0.0069133 -0.0112821 0.3006549), wk = 0.0028090 k( 148) = ( 0.0000000 0.0000000 0.3006549), wk = 0.0028090 k( 149) = ( 0.0000000 0.0000000 0.3006549), wk = 0.0028090 k( 150) = ( 0.0113947 0.0069823 0.3006549), wk = 0.0028090 k( 151) = ( 0.0227895 0.0139647 0.3006549), wk = 0.0028090 k( 152) = ( 0.0341842 0.0209470 0.3006549), wk = 0.0028090 k( 153) = ( 0.0455790 0.0279293 0.3006549), wk = 0.0028090 k( 154) = ( 0.0569737 0.0349116 0.3006549), wk = 0.0028090 k( 155) = ( 0.0683684 0.0418939 0.3006549), wk = 0.0028090 k( 156) = ( 0.0797632 0.0488763 0.3006549), wk = 0.0028090 k( 157) = ( 0.0911579 0.0558586 0.3006549), wk = 0.0028090 k( 158) = ( 0.1025526 0.0628409 0.3006549), wk = 0.0028090 k( 159) = ( 0.1139474 0.0698232 0.3006549), wk = 0.0028090 k( 160) = ( 0.1253421 0.0768056 0.3006549), wk = 0.0028090 k( 161) = ( 0.1367369 0.0837879 0.3006549), wk = 0.0028090 k( 162) = ( 0.1481316 0.0907702 0.3006549), wk = 0.0028090 k( 163) = ( 0.1595263 0.0977525 0.3006549), wk = 0.0028090 k( 164) = ( 0.1709211 0.1047349 0.3006549), wk = 0.0028090 k( 165) = ( 0.1823158 0.1117172 0.3006549), wk = 0.0028090 k( 166) = ( 0.1937106 0.1186995 0.3006549), wk = 0.0028090 k( 167) = ( 0.2051053 0.1256818 0.3006549), wk = 0.0028090 k( 168) = ( 0.2165000 0.1326642 0.3006549), wk = 0.0028090 k( 169) = ( 0.2278948 0.1396465 0.3006549), wk = 0.0028090 k( 170) = ( 0.2392895 0.1466288 0.3006549), wk = 0.0028090 k( 171) = ( 0.2506842 0.1536111 0.3006549), wk = 0.0028090 k( 172) = ( 0.2620790 0.1605935 0.3006549), wk = 0.0028090 k( 173) = ( 0.2734737 0.1675758 0.3006549), wk = 0.0028090 k( 174) = ( 0.2848685 0.1745581 0.3006549), wk = 0.0028090 k( 175) = ( 0.2962632 0.1815404 0.3006549), wk = 0.0028090 k( 176) = ( 0.3076579 0.1885228 0.3006549), wk = 0.0028090 k( 177) = ( 0.3190527 0.1955051 0.3006549), wk = 0.0028090 k( 178) = ( 0.3304474 0.2024874 0.3006549), wk = 0.0028090 k( 179) = ( 0.3418422 0.2094697 0.3006549), wk = 0.0028090 k( 180) = ( 0.3532369 0.2164521 0.3006549), wk = 0.0028090 k( 181) = ( 0.3646316 0.2234344 0.3006549), wk = 0.0028090 k( 182) = ( 0.3760264 0.2304167 0.3006549), wk = 0.0028090 k( 183) = ( 0.3874211 0.2373990 0.3006549), wk = 0.0028090 k( 184) = ( 0.3988158 0.2443814 0.3006549), wk = 0.0028090 k( 185) = ( 0.4102106 0.2513637 0.3006549), wk = 0.0028090 k( 186) = ( 0.4216053 0.2583460 0.3006549), wk = 0.0028090 k( 187) = ( 0.4330001 0.2653283 0.3006549), wk = 0.0028090 k( 188) = ( 0.4443948 0.2723107 0.3006549), wk = 0.0028090 k( 189) = ( 0.4557895 0.2792930 0.3006549), wk = 0.0028090 k( 190) = ( 0.4671843 0.2862753 0.3006549), wk = 0.0028090 k( 191) = ( 0.5000000 0.3063837 -0.1557673), wk = 0.0028090 k( 192) = ( 0.5067957 0.2952935 -0.1557673), wk = 0.0028090 k( 193) = ( 0.5135914 0.2842033 -0.1557673), wk = 0.0028090 k( 194) = ( 0.5203871 0.2731132 -0.1557673), wk = 0.0028090 k( 195) = ( 0.5271828 0.2620230 -0.1557673), wk = 0.0028090 k( 196) = ( 0.5339785 0.2509328 -0.1557673), wk = 0.0028090 k( 197) = ( 0.5407742 0.2398426 -0.1557673), wk = 0.0028090 k( 198) = ( 0.5475699 0.2287524 -0.1557673), wk = 0.0028090 k( 199) = ( 0.5543656 0.2176622 -0.1557673), wk = 0.0028090 k( 200) = ( 0.5611613 0.2065721 -0.1557673), wk = 0.0028090 k( 201) = ( 0.5679570 0.1954819 -0.1557673), wk = 0.0028090 k( 202) = ( 0.5747528 0.1843917 -0.1557673), wk = 0.0028090 k( 203) = ( 0.5815484 0.1733015 -0.1557673), wk = 0.0028090 k( 204) = ( 0.5883442 0.1622113 -0.1557673), wk = 0.0028090 k( 205) = ( 0.5951399 0.1511211 -0.1557673), wk = 0.0028090 k( 206) = ( 0.6019356 0.1400309 -0.1557673), wk = 0.0028090 k( 207) = ( 0.6087313 0.1289408 -0.1557673), wk = 0.0028090 k( 208) = ( 0.6155270 0.1178506 -0.1557673), wk = 0.0028090 k( 209) = ( 0.6223227 0.1067604 -0.1557673), wk = 0.0028090 k( 210) = ( 0.6291184 0.0956702 -0.1557673), wk = 0.0028090 k( 211) = ( 0.6359141 0.0845800 -0.1557673), wk = 0.0028090 k( 212) = ( 0.6427098 0.0734898 -0.1557673), wk = 0.0028090 k( 213) = ( 0.6495055 0.0623996 -0.1557673), wk = 0.0028090 k( 214) = ( 0.3504945 -0.5719862 -0.0000000), wk = 0.0028090 k( 215) = ( 0.3436221 -0.5607708 -0.0000000), wk = 0.0028090 k( 216) = ( 0.3367496 -0.5495553 -0.0000000), wk = 0.0028090 k( 217) = ( 0.3298772 -0.5383399 -0.0000000), wk = 0.0028090 k( 218) = ( 0.3230047 -0.5271245 -0.0000000), wk = 0.0028090 k( 219) = ( 0.3161323 -0.5159091 -0.0000000), wk = 0.0028090 k( 220) = ( 0.3092599 -0.5046937 -0.0000000), wk = 0.0028090 k( 221) = ( 0.3023874 -0.4934783 -0.0000000), wk = 0.0028090 k( 222) = ( 0.2955150 -0.4822628 -0.0000000), wk = 0.0028090 k( 223) = ( 0.2886425 -0.4710474 -0.0000000), wk = 0.0028090 k( 224) = ( 0.2817701 -0.4598320 -0.0000000), wk = 0.0028090 k( 225) = ( 0.2748976 -0.4486166 -0.0000000), wk = 0.0028090 k( 226) = ( 0.2680252 -0.4374012 -0.0000000), wk = 0.0028090 k( 227) = ( 0.2611528 -0.4261858 -0.0000000), wk = 0.0028090 k( 228) = ( 0.2542803 -0.4149704 -0.0000000), wk = 0.0028090 k( 229) = ( 0.2474079 -0.4037549 -0.0000000), wk = 0.0028090 k( 230) = ( 0.2405354 -0.3925395 -0.0000000), wk = 0.0028090 k( 231) = ( 0.2336630 -0.3813241 -0.0000000), wk = 0.0028090 k( 232) = ( 0.2267906 -0.3701087 -0.0000000), wk = 0.0028090 k( 233) = ( 0.2199181 -0.3588933 -0.0000000), wk = 0.0028090 k( 234) = ( 0.2130457 -0.3476779 -0.0000000), wk = 0.0028090 k( 235) = ( 0.2061732 -0.3364625 -0.0000000), wk = 0.0028090 k( 236) = ( 0.1993008 -0.3252470 -0.0000000), wk = 0.0028090 k( 237) = ( 0.1924283 -0.3140316 -0.0000000), wk = 0.0028090 k( 238) = ( 0.1855559 -0.3028162 -0.0000000), wk = 0.0028090 k( 239) = ( 0.1786835 -0.2916008 -0.0000000), wk = 0.0028090 k( 240) = ( 0.1718110 -0.2803854 -0.0000000), wk = 0.0028090 k( 241) = ( 0.1649386 -0.2691700 -0.0000000), wk = 0.0028090 k( 242) = ( 0.1580661 -0.2579546 -0.0000000), wk = 0.0028090 k( 243) = ( 0.1511937 -0.2467391 -0.0000000), wk = 0.0028090 k( 244) = ( 0.1443213 -0.2355237 -0.0000000), wk = 0.0028090 k( 245) = ( 0.1374488 -0.2243083 -0.0000000), wk = 0.0028090 k( 246) = ( 0.1305764 -0.2130929 -0.0000000), wk = 0.0028090 k( 247) = ( 0.1237039 -0.2018775 -0.0000000), wk = 0.0028090 k( 248) = ( 0.1168315 -0.1906621 -0.0000000), wk = 0.0028090 k( 249) = ( 0.1099591 -0.1794466 -0.0000000), wk = 0.0028090 k( 250) = ( 0.1030866 -0.1682312 -0.0000000), wk = 0.0028090 k( 251) = ( 0.0962142 -0.1570158 -0.0000000), wk = 0.0028090 k( 252) = ( 0.0893417 -0.1458004 -0.0000000), wk = 0.0028090 k( 253) = ( 0.0824693 -0.1345850 -0.0000000), wk = 0.0028090 k( 254) = ( 0.0755968 -0.1233696 -0.0000000), wk = 0.0028090 k( 255) = ( 0.0687244 -0.1121541 -0.0000000), wk = 0.0028090 k( 256) = ( 0.0618520 -0.1009387 -0.0000000), wk = 0.0028090 k( 257) = ( 0.0549795 -0.0897233 -0.0000000), wk = 0.0028090 k( 258) = ( 0.0481071 -0.0785079 -0.0000000), wk = 0.0028090 k( 259) = ( 0.0412346 -0.0672925 -0.0000000), wk = 0.0028090 k( 260) = ( 0.0343622 -0.0560771 -0.0000000), wk = 0.0028090 k( 261) = ( 0.0274898 -0.0448617 -0.0000000), wk = 0.0028090 k( 262) = ( 0.0206173 -0.0336462 -0.0000000), wk = 0.0028090 k( 263) = ( 0.0137449 -0.0224308 -0.0000000), wk = 0.0028090 k( 264) = ( 0.0068724 -0.0112154 -0.0000000), wk = 0.0028090 k( 265) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 266) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 267) = ( 0.0116279 -0.0059254 -0.0018112), wk = 0.0028090 k( 268) = ( 0.0232558 -0.0118508 -0.0036225), wk = 0.0028090 k( 269) = ( 0.0348837 -0.0177763 -0.0054337), wk = 0.0028090 k( 270) = ( 0.0465116 -0.0237017 -0.0072450), wk = 0.0028090 k( 271) = ( 0.0581395 -0.0296271 -0.0090562), wk = 0.0028090 k( 272) = ( 0.0697674 -0.0355525 -0.0108675), wk = 0.0028090 k( 273) = ( 0.0813954 -0.0414780 -0.0126787), wk = 0.0028090 k( 274) = ( 0.0930233 -0.0474034 -0.0144900), wk = 0.0028090 k( 275) = ( 0.1046512 -0.0533288 -0.0163012), wk = 0.0028090 k( 276) = ( 0.1162791 -0.0592542 -0.0181125), wk = 0.0028090 k( 277) = ( 0.1279070 -0.0651797 -0.0199237), wk = 0.0028090 k( 278) = ( 0.1395349 -0.0711051 -0.0217350), wk = 0.0028090 k( 279) = ( 0.1511628 -0.0770305 -0.0235462), wk = 0.0028090 k( 280) = ( 0.1627907 -0.0829559 -0.0253575), wk = 0.0028090 k( 281) = ( 0.1744186 -0.0888814 -0.0271687), wk = 0.0028090 k( 282) = ( 0.1860465 -0.0948068 -0.0289800), wk = 0.0028090 k( 283) = ( 0.1976744 -0.1007322 -0.0307912), wk = 0.0028090 k( 284) = ( 0.2093023 -0.1066576 -0.0326025), wk = 0.0028090 k( 285) = ( 0.2209302 -0.1125831 -0.0344137), wk = 0.0028090 k( 286) = ( 0.2325581 -0.1185085 -0.0362250), wk = 0.0028090 k( 287) = ( 0.2441860 -0.1244339 -0.0380362), wk = 0.0028090 k( 288) = ( 0.2558140 -0.1303593 -0.0398475), wk = 0.0028090 k( 289) = ( 0.2674419 -0.1362848 -0.0416587), wk = 0.0028090 k( 290) = ( 0.2790698 -0.1422102 -0.0434700), wk = 0.0028090 k( 291) = ( 0.2906977 -0.1481356 -0.0452812), wk = 0.0028090 k( 292) = ( 0.3023256 -0.1540610 -0.0470925), wk = 0.0028090 k( 293) = ( 0.3139535 -0.1599865 -0.0489037), wk = 0.0028090 k( 294) = ( 0.3255814 -0.1659119 -0.0507150), wk = 0.0028090 k( 295) = ( 0.3372093 -0.1718373 -0.0525262), wk = 0.0028090 k( 296) = ( 0.3488372 -0.1777627 -0.0543374), wk = 0.0028090 k( 297) = ( 0.3604651 -0.1836882 -0.0561487), wk = 0.0028090 k( 298) = ( 0.3720930 -0.1896136 -0.0579599), wk = 0.0028090 k( 299) = ( 0.3837209 -0.1955390 -0.0597712), wk = 0.0028090 k( 300) = ( 0.3953488 -0.2014644 -0.0615824), wk = 0.0028090 k( 301) = ( 0.4069767 -0.2073899 -0.0633937), wk = 0.0028090 k( 302) = ( 0.4186047 -0.2133153 -0.0652049), wk = 0.0028090 k( 303) = ( 0.4302326 -0.2192407 -0.0670162), wk = 0.0028090 k( 304) = ( 0.4418605 -0.2251661 -0.0688274), wk = 0.0028090 k( 305) = ( 0.4534884 -0.2310916 -0.0706387), wk = 0.0028090 k( 306) = ( 0.4651163 -0.2370170 -0.0724499), wk = 0.0028090 k( 307) = ( 0.4767442 -0.2429424 -0.0742612), wk = 0.0028090 k( 308) = ( 0.4883721 -0.2488678 -0.0760724), wk = 0.0028090 k( 309) = ( 0.5000000 -0.2547933 -0.0778837), wk = 0.0028090 k( 310) = ( 0.5000000 -0.2547933 0.2227712), wk = 0.0028090 k( 311) = ( 0.4891304 -0.2492543 0.2179284), wk = 0.0028090 k( 312) = ( 0.4782609 -0.2437153 0.2130855), wk = 0.0028090 k( 313) = ( 0.4673913 -0.2381763 0.2082427), wk = 0.0028090 k( 314) = ( 0.4565217 -0.2326373 0.2033998), wk = 0.0028090 k( 315) = ( 0.4456522 -0.2270983 0.1985570), wk = 0.0028090 k( 316) = ( 0.4347826 -0.2215594 0.1937141), wk = 0.0028090 k( 317) = ( 0.4239130 -0.2160204 0.1888713), wk = 0.0028090 k( 318) = ( 0.4130435 -0.2104814 0.1840284), wk = 0.0028090 k( 319) = ( 0.4021739 -0.2049424 0.1791856), wk = 0.0028090 k( 320) = ( 0.3913044 -0.1994034 0.1743427), wk = 0.0028090 k( 321) = ( 0.3804348 -0.1938644 0.1694999), wk = 0.0028090 k( 322) = ( 0.3695652 -0.1883255 0.1646570), wk = 0.0028090 k( 323) = ( 0.3586956 -0.1827865 0.1598141), wk = 0.0028090 k( 324) = ( 0.3478261 -0.1772475 0.1549713), wk = 0.0028090 k( 325) = ( 0.3369565 -0.1717085 0.1501284), wk = 0.0028090 k( 326) = ( 0.3260870 -0.1661695 0.1452856), wk = 0.0028090 k( 327) = ( 0.3152174 -0.1606305 0.1404427), wk = 0.0028090 k( 328) = ( 0.3043478 -0.1550916 0.1355999), wk = 0.0028090 k( 329) = ( 0.2934783 -0.1495526 0.1307570), wk = 0.0028090 k( 330) = ( 0.2826087 -0.1440136 0.1259142), wk = 0.0028090 k( 331) = ( 0.2717391 -0.1384746 0.1210713), wk = 0.0028090 k( 332) = ( 0.2608696 -0.1329356 0.1162285), wk = 0.0028090 k( 333) = ( 0.2500000 -0.1273966 0.1113856), wk = 0.0028090 k( 334) = ( 0.2391304 -0.1218576 0.1065428), wk = 0.0028090 k( 335) = ( 0.2282609 -0.1163187 0.1016999), wk = 0.0028090 k( 336) = ( 0.2173913 -0.1107797 0.0968571), wk = 0.0028090 k( 337) = ( 0.2065217 -0.1052407 0.0920142), wk = 0.0028090 k( 338) = ( 0.1956522 -0.0997017 0.0871714), wk = 0.0028090 k( 339) = ( 0.1847826 -0.0941627 0.0823285), wk = 0.0028090 k( 340) = ( 0.1739130 -0.0886237 0.0774856), wk = 0.0028090 k( 341) = ( 0.1630435 -0.0830848 0.0726428), wk = 0.0028090 k( 342) = ( 0.1521739 -0.0775458 0.0677999), wk = 0.0028090 k( 343) = ( 0.1413043 -0.0720068 0.0629571), wk = 0.0028090 k( 344) = ( 0.1304348 -0.0664678 0.0581142), wk = 0.0028090 k( 345) = ( 0.1195652 -0.0609288 0.0532714), wk = 0.0028090 k( 346) = ( 0.1086957 -0.0553898 0.0484285), wk = 0.0028090 k( 347) = ( 0.0978261 -0.0498509 0.0435857), wk = 0.0028090 k( 348) = ( 0.0869565 -0.0443119 0.0387428), wk = 0.0028090 k( 349) = ( 0.0760870 -0.0387729 0.0339000), wk = 0.0028090 k( 350) = ( 0.0652174 -0.0332339 0.0290571), wk = 0.0028090 k( 351) = ( 0.0543478 -0.0276949 0.0242143), wk = 0.0028090 k( 352) = ( 0.0434783 -0.0221559 0.0193714), wk = 0.0028090 k( 353) = ( 0.0326087 -0.0166170 0.0145286), wk = 0.0028090 k( 354) = ( 0.0217391 -0.0110780 0.0096857), wk = 0.0028090 k( 355) = ( 0.0108696 -0.0055390 0.0048429), wk = 0.0028090 k( 356) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0028090 k( 3) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0028090 k( 4) = ( 0.0326087 0.0326087 -0.0000000), wk = 0.0028090 k( 5) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0028090 k( 6) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0028090 k( 7) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0028090 k( 8) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0028090 k( 9) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0028090 k( 10) = ( 0.0978261 0.0978261 0.0000000), wk = 0.0028090 k( 11) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0028090 k( 12) = ( 0.1195652 0.1195652 -0.0000000), wk = 0.0028090 k( 13) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0028090 k( 14) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0028090 k( 15) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0028090 k( 16) = ( 0.1630435 0.1630435 0.0000000), wk = 0.0028090 k( 17) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0028090 k( 18) = ( 0.1847826 0.1847826 0.0000000), wk = 0.0028090 k( 19) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0028090 k( 20) = ( 0.2065217 0.2065217 -0.0000000), wk = 0.0028090 k( 21) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0028090 k( 22) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0028090 k( 23) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0028090 k( 24) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028090 k( 25) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0028090 k( 26) = ( 0.2717391 0.2717391 0.0000000), wk = 0.0028090 k( 27) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0028090 k( 28) = ( 0.2934783 0.2934783 0.0000000), wk = 0.0028090 k( 29) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0028090 k( 30) = ( 0.3152174 0.3152174 0.0000000), wk = 0.0028090 k( 31) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0028090 k( 32) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0028090 k( 33) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0028090 k( 34) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0028090 k( 35) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0028090 k( 36) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0028090 k( 37) = ( 0.3913044 0.3913044 0.0000000), wk = 0.0028090 k( 38) = ( 0.4021739 0.4021739 0.0000000), wk = 0.0028090 k( 39) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0028090 k( 40) = ( 0.4239130 0.4239130 0.0000000), wk = 0.0028090 k( 41) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0028090 k( 42) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0028090 k( 43) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0028090 k( 44) = ( 0.4673913 0.4673913 0.0000000), wk = 0.0028090 k( 45) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0028090 k( 46) = ( 0.4891304 0.4891304 -0.0000000), wk = 0.0028090 k( 47) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028090 k( 48) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028090 k( 49) = ( 0.5027346 0.5027346 0.0214962), wk = 0.0028090 k( 50) = ( 0.5054693 0.5054693 0.0429925), wk = 0.0028090 k( 51) = ( 0.5082039 0.5082039 0.0644887), wk = 0.0028090 k( 52) = ( 0.5109386 0.5109386 0.0859850), wk = 0.0028090 k( 53) = ( 0.5136732 0.5136732 0.1074812), wk = 0.0028090 k( 54) = ( 0.5164079 0.5164079 0.1289774), wk = 0.0028090 k( 55) = ( 0.5191425 0.5191425 0.1504737), wk = 0.0028090 k( 56) = ( 0.5218772 0.5218772 0.1719699), wk = 0.0028090 k( 57) = ( 0.5246118 0.5246118 0.1934662), wk = 0.0028090 k( 58) = ( 0.5273464 0.5273464 0.2149624), wk = 0.0028090 k( 59) = ( 0.5300811 0.5300811 0.2364586), wk = 0.0028090 k( 60) = ( 0.5328157 0.5328157 0.2579549), wk = 0.0028090 k( 61) = ( 0.5328157 0.5328157 0.2579549), wk = 0.0028090 k( 62) = ( 0.5300811 0.5300811 0.2781253), wk = 0.0028090 k( 63) = ( 0.5273464 0.5273464 0.2982957), wk = 0.0028090 k( 64) = ( 0.5246118 0.5246118 0.3184662), wk = 0.0028090 k( 65) = ( 0.5218772 0.5218772 0.3386366), wk = 0.0028090 k( 66) = ( 0.5191425 0.5191425 0.3588070), wk = 0.0028090 k( 67) = ( 0.5164079 0.5164079 0.3789774), wk = 0.0028090 k( 68) = ( 0.5136732 0.5136732 0.3991479), wk = 0.0028090 k( 69) = ( 0.5109386 0.5109386 0.4193183), wk = 0.0028090 k( 70) = ( 0.5082039 0.5082039 0.4394887), wk = 0.0028090 k( 71) = ( 0.5054693 0.5054693 0.4596591), wk = 0.0028090 k( 72) = ( 0.5027346 0.5027346 0.4798296), wk = 0.0028090 k( 73) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 74) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 75) = ( 0.5067336 0.4932664 0.5000000), wk = 0.0028090 k( 76) = ( 0.5134673 0.4865328 0.5000000), wk = 0.0028090 k( 77) = ( 0.5202009 0.4797991 0.5000000), wk = 0.0028090 k( 78) = ( 0.5269345 0.4730655 0.5000000), wk = 0.0028090 k( 79) = ( 0.5336681 0.4663319 0.5000000), wk = 0.0028090 k( 80) = ( 0.5404018 0.4595982 0.5000000), wk = 0.0028090 k( 81) = ( 0.5471354 0.4528646 0.5000000), wk = 0.0028090 k( 82) = ( 0.5538690 0.4461310 0.5000000), wk = 0.0028090 k( 83) = ( 0.5606026 0.4393974 0.5000000), wk = 0.0028090 k( 84) = ( 0.5673363 0.4326637 0.5000000), wk = 0.0028090 k( 85) = ( 0.5740699 0.4259301 0.5000000), wk = 0.0028090 k( 86) = ( 0.5808035 0.4191965 0.5000000), wk = 0.0028090 k( 87) = ( 0.5875372 0.4124628 0.5000000), wk = 0.0028090 k( 88) = ( 0.5942708 0.4057292 0.5000000), wk = 0.0028090 k( 89) = ( 0.6010044 0.3989956 0.5000000), wk = 0.0028090 k( 90) = ( 0.6077380 0.3922620 0.5000000), wk = 0.0028090 k( 91) = ( 0.6144717 0.3855283 0.5000000), wk = 0.0028090 k( 92) = ( 0.6212053 0.3787947 0.5000000), wk = 0.0028090 k( 93) = ( 0.6279389 0.3720611 0.5000000), wk = 0.0028090 k( 94) = ( 0.6346726 0.3653274 0.5000000), wk = 0.0028090 k( 95) = ( 0.6414062 0.3585938 0.5000000), wk = 0.0028090 k( 96) = ( 0.6481398 0.3518602 0.5000000), wk = 0.0028090 k( 97) = ( 0.6548734 0.3451266 0.5000000), wk = 0.0028090 k( 98) = ( 0.6616071 0.3383929 0.5000000), wk = 0.0028090 k( 99) = ( 0.6683407 0.3316593 0.5000000), wk = 0.0028090 k( 100) = ( 0.6750743 0.3249257 0.5000000), wk = 0.0028090 k( 101) = ( 0.3249257 -0.3249257 0.5000000), wk = 0.0028090 k( 102) = ( 0.3180124 -0.3180124 0.5000000), wk = 0.0028090 k( 103) = ( 0.3110991 -0.3110991 0.5000000), wk = 0.0028090 k( 104) = ( 0.3041857 -0.3041857 0.5000000), wk = 0.0028090 k( 105) = ( 0.2972724 -0.2972724 0.5000000), wk = 0.0028090 k( 106) = ( 0.2903591 -0.2903591 0.5000000), wk = 0.0028090 k( 107) = ( 0.2834458 -0.2834458 0.5000000), wk = 0.0028090 k( 108) = ( 0.2765325 -0.2765325 0.5000000), wk = 0.0028090 k( 109) = ( 0.2696192 -0.2696192 0.5000000), wk = 0.0028090 k( 110) = ( 0.2627059 -0.2627059 0.5000000), wk = 0.0028090 k( 111) = ( 0.2557926 -0.2557926 0.5000000), wk = 0.0028090 k( 112) = ( 0.2488792 -0.2488792 0.5000000), wk = 0.0028090 k( 113) = ( 0.2419659 -0.2419659 0.5000000), wk = 0.0028090 k( 114) = ( 0.2350526 -0.2350526 0.5000000), wk = 0.0028090 k( 115) = ( 0.2281393 -0.2281393 0.5000000), wk = 0.0028090 k( 116) = ( 0.2212260 -0.2212260 0.5000000), wk = 0.0028090 k( 117) = ( 0.2143127 -0.2143127 0.5000000), wk = 0.0028090 k( 118) = ( 0.2073994 -0.2073994 0.5000000), wk = 0.0028090 k( 119) = ( 0.2004861 -0.2004861 0.5000000), wk = 0.0028090 k( 120) = ( 0.1935727 -0.1935727 0.5000000), wk = 0.0028090 k( 121) = ( 0.1866594 -0.1866594 0.5000000), wk = 0.0028090 k( 122) = ( 0.1797461 -0.1797461 0.5000000), wk = 0.0028090 k( 123) = ( 0.1728328 -0.1728328 0.5000000), wk = 0.0028090 k( 124) = ( 0.1659195 -0.1659195 0.5000000), wk = 0.0028090 k( 125) = ( 0.1590062 -0.1590062 0.5000000), wk = 0.0028090 k( 126) = ( 0.1520929 -0.1520929 0.5000000), wk = 0.0028090 k( 127) = ( 0.1451796 -0.1451796 0.5000000), wk = 0.0028090 k( 128) = ( 0.1382663 -0.1382662 0.5000000), wk = 0.0028090 k( 129) = ( 0.1313529 -0.1313529 0.5000000), wk = 0.0028090 k( 130) = ( 0.1244396 -0.1244396 0.5000000), wk = 0.0028090 k( 131) = ( 0.1175263 -0.1175263 0.5000000), wk = 0.0028090 k( 132) = ( 0.1106130 -0.1106130 0.5000000), wk = 0.0028090 k( 133) = ( 0.1036997 -0.1036997 0.5000000), wk = 0.0028090 k( 134) = ( 0.0967864 -0.0967864 0.5000000), wk = 0.0028090 k( 135) = ( 0.0898731 -0.0898731 0.5000000), wk = 0.0028090 k( 136) = ( 0.0829597 -0.0829597 0.5000000), wk = 0.0028090 k( 137) = ( 0.0760464 -0.0760464 0.5000000), wk = 0.0028090 k( 138) = ( 0.0691331 -0.0691331 0.5000000), wk = 0.0028090 k( 139) = ( 0.0622198 -0.0622198 0.5000000), wk = 0.0028090 k( 140) = ( 0.0553065 -0.0553065 0.5000000), wk = 0.0028090 k( 141) = ( 0.0483932 -0.0483932 0.5000000), wk = 0.0028090 k( 142) = ( 0.0414799 -0.0414799 0.5000000), wk = 0.0028090 k( 143) = ( 0.0345666 -0.0345666 0.5000000), wk = 0.0028090 k( 144) = ( 0.0276533 -0.0276532 0.5000000), wk = 0.0028090 k( 145) = ( 0.0207399 -0.0207399 0.5000000), wk = 0.0028090 k( 146) = ( 0.0138266 -0.0138266 0.5000000), wk = 0.0028090 k( 147) = ( 0.0069133 -0.0069133 0.5000000), wk = 0.0028090 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 150) = ( 0.0113947 0.0113947 0.5059035), wk = 0.0028090 k( 151) = ( 0.0227895 0.0227895 0.5118071), wk = 0.0028090 k( 152) = ( 0.0341842 0.0341842 0.5177106), wk = 0.0028090 k( 153) = ( 0.0455790 0.0455790 0.5236142), wk = 0.0028090 k( 154) = ( 0.0569737 0.0569737 0.5295177), wk = 0.0028090 k( 155) = ( 0.0683684 0.0683684 0.5354212), wk = 0.0028090 k( 156) = ( 0.0797632 0.0797632 0.5413248), wk = 0.0028090 k( 157) = ( 0.0911579 0.0911579 0.5472283), wk = 0.0028090 k( 158) = ( 0.1025526 0.1025526 0.5531319), wk = 0.0028090 k( 159) = ( 0.1139474 0.1139474 0.5590354), wk = 0.0028090 k( 160) = ( 0.1253421 0.1253421 0.5649389), wk = 0.0028090 k( 161) = ( 0.1367369 0.1367369 0.5708425), wk = 0.0028090 k( 162) = ( 0.1481316 0.1481316 0.5767460), wk = 0.0028090 k( 163) = ( 0.1595263 0.1595263 0.5826496), wk = 0.0028090 k( 164) = ( 0.1709211 0.1709211 0.5885531), wk = 0.0028090 k( 165) = ( 0.1823158 0.1823158 0.5944566), wk = 0.0028090 k( 166) = ( 0.1937106 0.1937106 0.6003602), wk = 0.0028090 k( 167) = ( 0.2051053 0.2051053 0.6062637), wk = 0.0028090 k( 168) = ( 0.2165000 0.2165000 0.6121673), wk = 0.0028090 k( 169) = ( 0.2278948 0.2278948 0.6180708), wk = 0.0028090 k( 170) = ( 0.2392895 0.2392895 0.6239743), wk = 0.0028090 k( 171) = ( 0.2506842 0.2506842 0.6298779), wk = 0.0028090 k( 172) = ( 0.2620790 0.2620790 0.6357814), wk = 0.0028090 k( 173) = ( 0.2734737 0.2734737 0.6416850), wk = 0.0028090 k( 174) = ( 0.2848685 0.2848685 0.6475885), wk = 0.0028090 k( 175) = ( 0.2962632 0.2962632 0.6534920), wk = 0.0028090 k( 176) = ( 0.3076579 0.3076579 0.6593956), wk = 0.0028090 k( 177) = ( 0.3190527 0.3190527 0.6652991), wk = 0.0028090 k( 178) = ( 0.3304474 0.3304474 0.6712027), wk = 0.0028090 k( 179) = ( 0.3418422 0.3418422 0.6771062), wk = 0.0028090 k( 180) = ( 0.3532369 0.3532369 0.6830097), wk = 0.0028090 k( 181) = ( 0.3646316 0.3646316 0.6889133), wk = 0.0028090 k( 182) = ( 0.3760264 0.3760264 0.6948168), wk = 0.0028090 k( 183) = ( 0.3874211 0.3874211 0.7007203), wk = 0.0028090 k( 184) = ( 0.3988158 0.3988158 0.7066239), wk = 0.0028090 k( 185) = ( 0.4102106 0.4102106 0.7125274), wk = 0.0028090 k( 186) = ( 0.4216053 0.4216053 0.7184310), wk = 0.0028090 k( 187) = ( 0.4330001 0.4330001 0.7243345), wk = 0.0028090 k( 188) = ( 0.4443948 0.4443948 0.7302380), wk = 0.0028090 k( 189) = ( 0.4557895 0.4557895 0.7361416), wk = 0.0028090 k( 190) = ( 0.4671843 0.4671843 0.7420451), wk = 0.0028090 k( 191) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028090 k( 192) = ( 0.5067957 0.4932043 -0.0000000), wk = 0.0028090 k( 193) = ( 0.5135914 0.4864086 -0.0000000), wk = 0.0028090 k( 194) = ( 0.5203871 0.4796129 0.0000000), wk = 0.0028090 k( 195) = ( 0.5271828 0.4728172 0.0000000), wk = 0.0028090 k( 196) = ( 0.5339785 0.4660215 -0.0000000), wk = 0.0028090 k( 197) = ( 0.5407742 0.4592258 0.0000000), wk = 0.0028090 k( 198) = ( 0.5475699 0.4524301 0.0000000), wk = 0.0028090 k( 199) = ( 0.5543656 0.4456344 0.0000000), wk = 0.0028090 k( 200) = ( 0.5611613 0.4388387 -0.0000000), wk = 0.0028090 k( 201) = ( 0.5679570 0.4320430 0.0000000), wk = 0.0028090 k( 202) = ( 0.5747528 0.4252473 -0.0000000), wk = 0.0028090 k( 203) = ( 0.5815484 0.4184516 0.0000000), wk = 0.0028090 k( 204) = ( 0.5883442 0.4116558 0.0000000), wk = 0.0028090 k( 205) = ( 0.5951399 0.4048601 0.0000000), wk = 0.0028090 k( 206) = ( 0.6019356 0.3980644 0.0000000), wk = 0.0028090 k( 207) = ( 0.6087313 0.3912687 0.0000000), wk = 0.0028090 k( 208) = ( 0.6155270 0.3844730 -0.0000000), wk = 0.0028090 k( 209) = ( 0.6223227 0.3776773 0.0000000), wk = 0.0028090 k( 210) = ( 0.6291184 0.3708816 0.0000000), wk = 0.0028090 k( 211) = ( 0.6359141 0.3640859 0.0000000), wk = 0.0028090 k( 212) = ( 0.6427098 0.3572902 0.0000000), wk = 0.0028090 k( 213) = ( 0.6495055 0.3504945 -0.0000000), wk = 0.0028090 k( 214) = ( 0.3504945 -0.3504945 0.0000000), wk = 0.0028090 k( 215) = ( 0.3436221 -0.3436221 -0.0000000), wk = 0.0028090 k( 216) = ( 0.3367496 -0.3367496 0.0000000), wk = 0.0028090 k( 217) = ( 0.3298772 -0.3298772 -0.0000000), wk = 0.0028090 k( 218) = ( 0.3230047 -0.3230047 0.0000000), wk = 0.0028090 k( 219) = ( 0.3161323 -0.3161323 0.0000000), wk = 0.0028090 k( 220) = ( 0.3092599 -0.3092598 0.0000000), wk = 0.0028090 k( 221) = ( 0.3023874 -0.3023874 0.0000000), wk = 0.0028090 k( 222) = ( 0.2955150 -0.2955150 -0.0000000), wk = 0.0028090 k( 223) = ( 0.2886425 -0.2886425 -0.0000000), wk = 0.0028090 k( 224) = ( 0.2817701 -0.2817701 0.0000000), wk = 0.0028090 k( 225) = ( 0.2748976 -0.2748976 0.0000000), wk = 0.0028090 k( 226) = ( 0.2680252 -0.2680252 -0.0000000), wk = 0.0028090 k( 227) = ( 0.2611528 -0.2611528 0.0000000), wk = 0.0028090 k( 228) = ( 0.2542803 -0.2542803 -0.0000000), wk = 0.0028090 k( 229) = ( 0.2474079 -0.2474079 0.0000000), wk = 0.0028090 k( 230) = ( 0.2405354 -0.2405354 -0.0000000), wk = 0.0028090 k( 231) = ( 0.2336630 -0.2336630 0.0000000), wk = 0.0028090 k( 232) = ( 0.2267906 -0.2267906 -0.0000000), wk = 0.0028090 k( 233) = ( 0.2199181 -0.2199181 0.0000000), wk = 0.0028090 k( 234) = ( 0.2130457 -0.2130457 -0.0000000), wk = 0.0028090 k( 235) = ( 0.2061732 -0.2061732 0.0000000), wk = 0.0028090 k( 236) = ( 0.1993008 -0.1993008 -0.0000000), wk = 0.0028090 k( 237) = ( 0.1924283 -0.1924284 0.0000000), wk = 0.0028090 k( 238) = ( 0.1855559 -0.1855559 0.0000000), wk = 0.0028090 k( 239) = ( 0.1786835 -0.1786835 0.0000000), wk = 0.0028090 k( 240) = ( 0.1718110 -0.1718110 -0.0000000), wk = 0.0028090 k( 241) = ( 0.1649386 -0.1649386 -0.0000000), wk = 0.0028090 k( 242) = ( 0.1580661 -0.1580661 0.0000000), wk = 0.0028090 k( 243) = ( 0.1511937 -0.1511937 0.0000000), wk = 0.0028090 k( 244) = ( 0.1443213 -0.1443213 -0.0000000), wk = 0.0028090 k( 245) = ( 0.1374488 -0.1374488 0.0000000), wk = 0.0028090 k( 246) = ( 0.1305764 -0.1305764 0.0000000), wk = 0.0028090 k( 247) = ( 0.1237039 -0.1237039 0.0000000), wk = 0.0028090 k( 248) = ( 0.1168315 -0.1168315 0.0000000), wk = 0.0028090 k( 249) = ( 0.1099591 -0.1099591 0.0000000), wk = 0.0028090 k( 250) = ( 0.1030866 -0.1030866 0.0000000), wk = 0.0028090 k( 251) = ( 0.0962142 -0.0962142 0.0000000), wk = 0.0028090 k( 252) = ( 0.0893417 -0.0893417 0.0000000), wk = 0.0028090 k( 253) = ( 0.0824693 -0.0824693 0.0000000), wk = 0.0028090 k( 254) = ( 0.0755968 -0.0755968 0.0000000), wk = 0.0028090 k( 255) = ( 0.0687244 -0.0687244 0.0000000), wk = 0.0028090 k( 256) = ( 0.0618520 -0.0618520 0.0000000), wk = 0.0028090 k( 257) = ( 0.0549795 -0.0549795 0.0000000), wk = 0.0028090 k( 258) = ( 0.0481071 -0.0481071 0.0000000), wk = 0.0028090 k( 259) = ( 0.0412346 -0.0412347 -0.0000000), wk = 0.0028090 k( 260) = ( 0.0343622 -0.0343622 0.0000000), wk = 0.0028090 k( 261) = ( 0.0274898 -0.0274898 0.0000000), wk = 0.0028090 k( 262) = ( 0.0206173 -0.0206173 0.0000000), wk = 0.0028090 k( 263) = ( 0.0137449 -0.0137449 0.0000000), wk = 0.0028090 k( 264) = ( 0.0068724 -0.0068724 0.0000000), wk = 0.0028090 k( 265) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 266) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 267) = ( 0.0116279 -0.0000000 0.0000000), wk = 0.0028090 k( 268) = ( 0.0232558 -0.0000000 0.0000000), wk = 0.0028090 k( 269) = ( 0.0348837 -0.0000000 -0.0000000), wk = 0.0028090 k( 270) = ( 0.0465116 0.0000000 -0.0000000), wk = 0.0028090 k( 271) = ( 0.0581395 -0.0000000 0.0000000), wk = 0.0028090 k( 272) = ( 0.0697674 -0.0000000 -0.0000000), wk = 0.0028090 k( 273) = ( 0.0813954 0.0000000 -0.0000000), wk = 0.0028090 k( 274) = ( 0.0930233 0.0000000 -0.0000000), wk = 0.0028090 k( 275) = ( 0.1046512 -0.0000000 0.0000000), wk = 0.0028090 k( 276) = ( 0.1162791 0.0000000 0.0000000), wk = 0.0028090 k( 277) = ( 0.1279070 0.0000000 0.0000000), wk = 0.0028090 k( 278) = ( 0.1395349 -0.0000000 -0.0000000), wk = 0.0028090 k( 279) = ( 0.1511628 0.0000000 -0.0000000), wk = 0.0028090 k( 280) = ( 0.1627907 0.0000000 -0.0000000), wk = 0.0028090 k( 281) = ( 0.1744186 0.0000000 0.0000000), wk = 0.0028090 k( 282) = ( 0.1860465 -0.0000000 0.0000000), wk = 0.0028090 k( 283) = ( 0.1976744 0.0000000 0.0000000), wk = 0.0028090 k( 284) = ( 0.2093023 0.0000000 0.0000000), wk = 0.0028090 k( 285) = ( 0.2209302 0.0000000 -0.0000000), wk = 0.0028090 k( 286) = ( 0.2325581 0.0000000 0.0000000), wk = 0.0028090 k( 287) = ( 0.2441860 0.0000000 0.0000000), wk = 0.0028090 k( 288) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0028090 k( 289) = ( 0.2674419 0.0000000 -0.0000000), wk = 0.0028090 k( 290) = ( 0.2790698 -0.0000000 0.0000000), wk = 0.0028090 k( 291) = ( 0.2906977 0.0000000 0.0000000), wk = 0.0028090 k( 292) = ( 0.3023256 0.0000000 -0.0000000), wk = 0.0028090 k( 293) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0028090 k( 294) = ( 0.3255814 0.0000000 -0.0000000), wk = 0.0028090 k( 295) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0028090 k( 296) = ( 0.3488372 0.0000000 0.0000000), wk = 0.0028090 k( 297) = ( 0.3604651 0.0000000 0.0000000), wk = 0.0028090 k( 298) = ( 0.3720930 -0.0000000 0.0000000), wk = 0.0028090 k( 299) = ( 0.3837209 0.0000000 0.0000000), wk = 0.0028090 k( 300) = ( 0.3953488 0.0000000 0.0000000), wk = 0.0028090 k( 301) = ( 0.4069767 0.0000000 -0.0000000), wk = 0.0028090 k( 302) = ( 0.4186047 0.0000000 -0.0000000), wk = 0.0028090 k( 303) = ( 0.4302326 0.0000000 0.0000000), wk = 0.0028090 k( 304) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0028090 k( 305) = ( 0.4534884 0.0000000 0.0000000), wk = 0.0028090 k( 306) = ( 0.4651163 0.0000000 0.0000000), wk = 0.0028090 k( 307) = ( 0.4767442 0.0000000 0.0000000), wk = 0.0028090 k( 308) = ( 0.4883721 0.0000000 -0.0000000), wk = 0.0028090 k( 309) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028090 k( 310) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 k( 311) = ( 0.4891304 0.0000000 0.4891304), wk = 0.0028090 k( 312) = ( 0.4782609 0.0000000 0.4782609), wk = 0.0028090 k( 313) = ( 0.4673913 0.0000000 0.4673913), wk = 0.0028090 k( 314) = ( 0.4565217 0.0000000 0.4565217), wk = 0.0028090 k( 315) = ( 0.4456522 0.0000000 0.4456522), wk = 0.0028090 k( 316) = ( 0.4347826 0.0000000 0.4347826), wk = 0.0028090 k( 317) = ( 0.4239130 -0.0000000 0.4239130), wk = 0.0028090 k( 318) = ( 0.4130435 0.0000000 0.4130435), wk = 0.0028090 k( 319) = ( 0.4021739 0.0000000 0.4021739), wk = 0.0028090 k( 320) = ( 0.3913044 0.0000000 0.3913044), wk = 0.0028090 k( 321) = ( 0.3804348 0.0000000 0.3804348), wk = 0.0028090 k( 322) = ( 0.3695652 0.0000000 0.3695652), wk = 0.0028090 k( 323) = ( 0.3586956 0.0000000 0.3586956), wk = 0.0028090 k( 324) = ( 0.3478261 -0.0000000 0.3478261), wk = 0.0028090 k( 325) = ( 0.3369565 -0.0000000 0.3369565), wk = 0.0028090 k( 326) = ( 0.3260870 0.0000000 0.3260870), wk = 0.0028090 k( 327) = ( 0.3152174 -0.0000000 0.3152174), wk = 0.0028090 k( 328) = ( 0.3043478 0.0000000 0.3043478), wk = 0.0028090 k( 329) = ( 0.2934783 0.0000000 0.2934783), wk = 0.0028090 k( 330) = ( 0.2826087 0.0000000 0.2826087), wk = 0.0028090 k( 331) = ( 0.2717391 0.0000000 0.2717391), wk = 0.0028090 k( 332) = ( 0.2608696 0.0000000 0.2608696), wk = 0.0028090 k( 333) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028090 k( 334) = ( 0.2391304 0.0000000 0.2391304), wk = 0.0028090 k( 335) = ( 0.2282609 0.0000000 0.2282609), wk = 0.0028090 k( 336) = ( 0.2173913 0.0000000 0.2173913), wk = 0.0028090 k( 337) = ( 0.2065217 0.0000000 0.2065217), wk = 0.0028090 k( 338) = ( 0.1956522 0.0000000 0.1956522), wk = 0.0028090 k( 339) = ( 0.1847826 0.0000000 0.1847826), wk = 0.0028090 k( 340) = ( 0.1739130 0.0000000 0.1739130), wk = 0.0028090 k( 341) = ( 0.1630435 0.0000000 0.1630435), wk = 0.0028090 k( 342) = ( 0.1521739 -0.0000000 0.1521739), wk = 0.0028090 k( 343) = ( 0.1413043 0.0000000 0.1413043), wk = 0.0028090 k( 344) = ( 0.1304348 0.0000000 0.1304348), wk = 0.0028090 k( 345) = ( 0.1195652 0.0000000 0.1195652), wk = 0.0028090 k( 346) = ( 0.1086957 0.0000000 0.1086957), wk = 0.0028090 k( 347) = ( 0.0978261 -0.0000000 0.0978261), wk = 0.0028090 k( 348) = ( 0.0869565 0.0000000 0.0869565), wk = 0.0028090 k( 349) = ( 0.0760870 -0.0000000 0.0760870), wk = 0.0028090 k( 350) = ( 0.0652174 0.0000000 0.0652174), wk = 0.0028090 k( 351) = ( 0.0543478 0.0000000 0.0543478), wk = 0.0028090 k( 352) = ( 0.0434783 0.0000000 0.0434783), wk = 0.0028090 k( 353) = ( 0.0326087 -0.0000000 0.0326087), wk = 0.0028090 k( 354) = ( 0.0217391 0.0000000 0.0217391), wk = 0.0028090 k( 355) = ( 0.0108696 0.0000000 0.0108696), wk = 0.0028090 k( 356) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 Dense grid: 72333 G-vectors FFT dimensions: ( 45, 45, 80) Smooth grid: 29329 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 214, 48) NL pseudopotentials 0.21 Mb ( 107, 126) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2012) G-vector shells 0.01 Mb ( 1908) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.63 Mb ( 214, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.18 Mb ( 126, 2, 48) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./BaN2.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 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.6 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 4.2 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 4.9 secs Computing kpt #: 10 total cpu time spent up to now is 5.3 secs Computing kpt #: 11 total cpu time spent up to now is 5.6 secs Computing kpt #: 12 total cpu time spent up to now is 5.9 secs Computing kpt #: 13 total cpu time spent up to now is 6.3 secs Computing kpt #: 14 total cpu time spent up to now is 6.6 secs Computing kpt #: 15 total cpu time spent up to now is 7.0 secs Computing kpt #: 16 total cpu time spent up to now is 7.3 secs Computing kpt #: 17 total cpu time spent up to now is 7.7 secs Computing kpt #: 18 total cpu time spent up to now is 8.0 secs Computing kpt #: 19 total cpu time spent up to now is 8.4 secs Computing kpt #: 20 total cpu time spent up to now is 8.7 secs Computing kpt #: 21 total cpu time spent up to now is 9.0 secs Computing kpt #: 22 total cpu time spent up to now is 9.4 secs Computing kpt #: 23 total cpu time spent up to now is 9.8 secs Computing kpt #: 24 total cpu time spent up to now is 10.1 secs Computing kpt #: 25 total cpu time spent up to now is 10.5 secs Computing kpt #: 26 total cpu time spent up to now is 10.9 secs Computing kpt #: 27 total cpu time spent up to now is 11.2 secs Computing kpt #: 28 total cpu time spent up to now is 11.6 secs Computing kpt #: 29 total cpu time spent up to now is 11.9 secs Computing kpt #: 30 total cpu time spent up to now is 12.3 secs Computing kpt #: 31 total cpu time spent up to now is 12.7 secs Computing kpt #: 32 total cpu time spent up to now is 13.0 secs Computing kpt #: 33 total cpu time spent up to now is 13.4 secs Computing kpt #: 34 total cpu time spent up to now is 13.8 secs Computing kpt #: 35 total cpu time spent up to now is 14.2 secs Computing kpt #: 36 total cpu time spent up to now is 14.6 secs Computing kpt #: 37 total cpu time spent up to now is 15.1 secs Computing kpt #: 38 total cpu time spent up to now is 15.5 secs Computing kpt #: 39 total cpu time spent up to now is 15.9 secs Computing kpt #: 40 total cpu time spent up to now is 16.4 secs Computing kpt #: 41 total cpu time spent up to now is 16.8 secs Computing kpt #: 42 total cpu time spent up to now is 17.2 secs Computing kpt #: 43 total cpu time spent up to now is 17.7 secs Computing kpt #: 44 total cpu time spent up to now is 18.1 secs Computing kpt #: 45 total cpu time spent up to now is 18.6 secs Computing kpt #: 46 total cpu time spent up to now is 19.1 secs Computing kpt #: 47 total cpu time spent up to now is 19.7 secs Computing kpt #: 48 total cpu time spent up to now is 20.1 secs Computing kpt #: 49 total cpu time spent up to now is 20.6 secs Computing kpt #: 50 total cpu time spent up to now is 21.1 secs Computing kpt #: 51 total cpu time spent up to now is 21.6 secs Computing kpt #: 52 total cpu time spent up to now is 22.0 secs Computing kpt #: 53 total cpu time spent up to now is 22.5 secs Computing kpt #: 54 total cpu time spent up to now is 22.9 secs Computing kpt #: 55 total cpu time spent up to now is 23.3 secs Computing kpt #: 56 total cpu time spent up to now is 23.8 secs Computing kpt #: 57 total cpu time spent up to now is 24.2 secs Computing kpt #: 58 total cpu time spent up to now is 24.6 secs Computing kpt #: 59 total cpu time spent up to now is 25.0 secs Computing kpt #: 60 total cpu time spent up to now is 25.5 secs Computing kpt #: 61 total cpu time spent up to now is 25.9 secs Computing kpt #: 62 total cpu time spent up to now is 26.3 secs Computing kpt #: 63 total cpu time spent up to now is 26.7 secs Computing kpt #: 64 total cpu time spent up to now is 27.2 secs Computing kpt #: 65 total cpu time spent up to now is 27.6 secs Computing kpt #: 66 total cpu time spent up to now is 28.0 secs Computing kpt #: 67 total cpu time spent up to now is 28.4 secs Computing kpt #: 68 total cpu time spent up to now is 28.8 secs Computing kpt #: 69 total cpu time spent up to now is 29.1 secs Computing kpt #: 70 total cpu time spent up to now is 29.5 secs Computing kpt #: 71 total cpu time spent up to now is 29.9 secs Computing kpt #: 72 total cpu time spent up to now is 30.2 secs Computing kpt #: 73 total cpu time spent up to now is 30.6 secs Computing kpt #: 74 total cpu time spent up to now is 30.9 secs Computing kpt #: 75 total cpu time spent up to now is 31.3 secs Computing kpt #: 76 total cpu time spent up to now is 31.7 secs Computing kpt #: 77 total cpu time spent up to now is 32.0 secs Computing kpt #: 78 total cpu time spent up to now is 32.4 secs Computing kpt #: 79 total cpu time spent up to now is 32.7 secs Computing kpt #: 80 total cpu time spent up to now is 33.1 secs Computing kpt #: 81 total cpu time spent up to now is 33.4 secs Computing kpt #: 82 total cpu time spent up to now is 33.8 secs Computing kpt #: 83 total cpu time spent up to now is 34.1 secs Computing kpt #: 84 total cpu time spent up to now is 34.5 secs Computing kpt #: 85 total cpu time spent up to now is 34.8 secs Computing kpt #: 86 total cpu time spent up to now is 35.1 secs Computing kpt #: 87 total cpu time spent up to now is 35.5 secs Computing kpt #: 88 total cpu time spent up to now is 35.8 secs Computing kpt #: 89 total cpu time spent up to now is 36.1 secs Computing kpt #: 90 total cpu time spent up to now is 36.5 secs Computing kpt #: 91 total cpu time spent up to now is 36.8 secs Computing kpt #: 92 total cpu time spent up to now is 37.1 secs Computing kpt #: 93 total cpu time spent up to now is 37.5 secs Computing kpt #: 94 total cpu time spent up to now is 37.8 secs Computing kpt #: 95 total cpu time spent up to now is 38.1 secs Computing kpt #: 96 total cpu time spent up to now is 38.5 secs Computing kpt #: 97 total cpu time spent up to now is 38.8 secs Computing kpt #: 98 total cpu time spent up to now is 39.2 secs Computing kpt #: 99 total cpu time spent up to now is 39.5 secs Computing kpt #: 100 total cpu time spent up to now is 39.9 secs Computing kpt #: 101 total cpu time spent up to now is 40.3 secs Computing kpt #: 102 total cpu time spent up to now is 40.6 secs Computing kpt #: 103 total cpu time spent up to now is 40.9 secs Computing kpt #: 104 total cpu time spent up to now is 41.3 secs Computing kpt #: 105 total cpu time spent up to now is 41.6 secs Computing kpt #: 106 total cpu time spent up to now is 41.9 secs Computing kpt #: 107 total cpu time spent up to now is 42.3 secs Computing kpt #: 108 total cpu time spent up to now is 42.6 secs Computing kpt #: 109 total cpu time spent up to now is 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secs Computing kpt #: 156 total cpu time spent up to now is 60.7 secs Computing kpt #: 157 total cpu time spent up to now is 61.1 secs Computing kpt #: 158 total cpu time spent up to now is 61.4 secs Computing kpt #: 159 total cpu time spent up to now is 61.9 secs Computing kpt #: 160 total cpu time spent up to now is 62.3 secs Computing kpt #: 161 total cpu time spent up to now is 62.7 secs Computing kpt #: 162 total cpu time spent up to now is 63.2 secs Computing kpt #: 163 total cpu time spent up to now is 63.6 secs Computing kpt #: 164 total cpu time spent up to now is 64.0 secs Computing kpt #: 165 total cpu time spent up to now is 64.4 secs Computing kpt #: 166 total cpu time spent up to now is 64.8 secs Computing kpt #: 167 total cpu time spent up to now is 65.1 secs Computing kpt #: 168 total cpu time spent up to now is 65.5 secs Computing kpt #: 169 total cpu time spent up to now is 65.9 secs Computing kpt #: 170 total cpu time spent up to now is 66.2 secs Computing kpt #: 171 total cpu time spent up to now is 66.6 secs Computing kpt #: 172 total cpu time spent up to now is 67.0 secs Computing kpt #: 173 total cpu time spent up to now is 67.4 secs Computing kpt #: 174 total cpu time spent up to now is 67.8 secs Computing kpt #: 175 total cpu time spent up to now is 68.2 secs Computing kpt #: 176 total cpu time spent up to now is 68.5 secs Computing kpt #: 177 total cpu time spent up to now is 68.9 secs Computing kpt #: 178 total cpu time spent up to now is 69.3 secs Computing kpt #: 179 total cpu time spent up to now is 69.7 secs Computing kpt #: 180 total cpu time spent up to now is 70.1 secs Computing kpt #: 181 total cpu time spent up to now is 70.4 secs Computing kpt #: 182 total cpu time spent up to now is 70.8 secs Computing kpt #: 183 total cpu time spent up to now is 71.2 secs Computing kpt #: 184 total cpu time spent up to now is 71.6 secs Computing kpt #: 185 total cpu time spent up to now is 71.9 secs Computing kpt #: 186 total cpu time spent up to now is 72.3 secs Computing kpt #: 187 total cpu time spent up to now is 72.7 secs Computing kpt #: 188 total cpu time spent up to now is 73.0 secs Computing kpt #: 189 total cpu time spent up to now is 73.5 secs Computing kpt #: 190 total cpu time spent up to now is 73.9 secs Computing kpt #: 191 total cpu time spent up to now is 74.4 secs Computing kpt #: 192 total cpu time spent up to now is 74.9 secs Computing kpt #: 193 total cpu time spent up to now is 75.3 secs Computing kpt #: 194 total cpu time spent up to now is 75.8 secs Computing kpt #: 195 total cpu time spent up to now is 76.2 secs Computing kpt #: 196 total cpu time spent up to now is 76.7 secs Computing kpt #: 197 total cpu time spent up to now is 77.2 secs Computing kpt #: 198 total cpu time spent up to now is 77.6 secs Computing kpt #: 199 total cpu time spent up to now is 78.1 secs Computing kpt #: 200 total cpu time spent up to now is 78.5 secs Computing kpt #: 201 total cpu time spent up to now is 78.9 secs Computing kpt #: 202 total cpu time spent up to now is 79.3 secs Computing kpt #: 203 total cpu time spent up to now is 79.7 secs Computing kpt #: 204 total cpu time spent up to now is 80.1 secs Computing kpt #: 205 total cpu time spent up to now is 80.5 secs Computing kpt #: 206 total cpu time spent up to now is 80.9 secs Computing kpt #: 207 total cpu time spent up to now is 81.2 secs Computing kpt #: 208 total cpu time spent up to now is 81.6 secs Computing kpt #: 209 total cpu time spent up to now is 81.9 secs Computing kpt #: 210 total cpu time spent up to now is 82.3 secs Computing kpt #: 211 total cpu time spent up to now is 82.6 secs Computing kpt #: 212 total cpu time spent up to now is 83.0 secs Computing kpt #: 213 total cpu time spent up to now is 83.3 secs Computing kpt #: 214 total cpu time spent up to now is 83.7 secs Computing kpt #: 215 total cpu time spent up to now is 84.1 secs Computing kpt #: 216 total cpu time spent up to now is 84.4 secs Computing kpt #: 217 total cpu time spent up to now is 84.8 secs Computing kpt #: 218 total cpu time spent up to now is 85.2 secs Computing kpt #: 219 total cpu time spent up to now is 85.5 secs Computing kpt #: 220 total cpu time spent up to now is 85.9 secs Computing kpt #: 221 total cpu time spent up to now is 86.3 secs Computing kpt #: 222 total cpu time spent up to now is 86.6 secs Computing kpt #: 223 total cpu time spent up to now is 87.0 secs Computing kpt #: 224 total cpu time spent up to now is 87.4 secs Computing kpt #: 225 total cpu time spent up to now is 87.8 secs Computing kpt #: 226 total cpu time spent up to now is 88.1 secs Computing kpt #: 227 total cpu time spent up to now is 88.5 secs Computing kpt #: 228 total cpu time spent up to now is 88.9 secs Computing kpt #: 229 total cpu time spent up to now is 89.2 secs Computing kpt #: 230 total cpu time spent up to now is 89.6 secs Computing kpt #: 231 total cpu time spent up to now is 90.0 secs Computing kpt #: 232 total cpu time spent up to now is 90.3 secs Computing kpt #: 233 total cpu time spent up to now is 90.7 secs Computing kpt #: 234 total cpu time spent up to now is 91.1 secs Computing kpt #: 235 total cpu time spent up to now is 91.5 secs Computing kpt #: 236 total cpu time spent up to now is 91.9 secs Computing kpt #: 237 total cpu time spent up to now is 92.3 secs Computing kpt #: 238 total cpu time spent up to now is 92.6 secs Computing kpt #: 239 total cpu time spent up to now is 93.0 secs Computing kpt #: 240 total cpu time spent up to now is 93.4 secs Computing kpt #: 241 total cpu time spent up to now is 93.8 secs Computing kpt #: 242 total cpu time spent up to now is 94.2 secs Computing kpt #: 243 total cpu time spent up to now is 94.5 secs Computing kpt #: 244 total cpu time spent up to now is 94.9 secs Computing kpt #: 245 total cpu time spent up to now is 95.3 secs Computing kpt #: 246 total cpu time spent up to now is 95.8 secs Computing kpt #: 247 total cpu time spent up to now is 96.2 secs Computing kpt #: 248 total cpu time spent up to now is 96.6 secs Computing kpt #: 249 total cpu time spent up to now is 97.0 secs Computing kpt #: 250 total cpu time spent up to now is 97.4 secs Computing kpt #: 251 total cpu time spent up to now is 97.8 secs Computing kpt #: 252 total cpu time spent up to now is 98.2 secs Computing kpt #: 253 total cpu time spent up to now is 98.5 secs Computing kpt #: 254 total cpu time spent up to now is 98.9 secs Computing kpt #: 255 total cpu time spent up to now is 99.2 secs Computing kpt #: 256 total cpu time spent up to now is 99.6 secs Computing kpt #: 257 total cpu time spent up to now is 99.9 secs Computing kpt #: 258 total cpu time spent up to now is 100.2 secs Computing kpt #: 259 total cpu time spent up to now is 100.6 secs Computing kpt #: 260 total cpu time spent up to now is 100.9 secs Computing kpt #: 261 total cpu time spent up to now is 101.2 secs Computing kpt #: 262 total cpu time spent up to now is 101.6 secs Computing kpt #: 263 total cpu time spent up to now is 101.9 secs Computing kpt #: 264 total cpu time spent up to now is 102.2 secs Computing kpt #: 265 total cpu time spent up to now is 102.6 secs Computing kpt #: 266 total cpu time spent up to now is 102.9 secs Computing kpt #: 267 total cpu time spent up to now is 103.2 secs Computing kpt #: 268 total cpu time spent up to now is 103.6 secs Computing kpt #: 269 total cpu time spent up to now is 103.9 secs Computing kpt #: 270 total cpu time spent up to now is 104.2 secs Computing kpt #: 271 total cpu time spent up to now is 104.6 secs Computing kpt #: 272 total cpu time spent up to now is 104.9 secs Computing kpt #: 273 total cpu time spent up to now is 105.2 secs Computing kpt #: 274 total cpu time spent up to now is 105.6 secs Computing kpt #: 275 total cpu time spent up to now is 105.9 secs Computing kpt #: 276 total cpu time spent up to now is 106.3 secs Computing kpt #: 277 total cpu time spent up to now is 106.7 secs Computing kpt #: 278 total cpu time spent up to now is 107.0 secs Computing kpt #: 279 total cpu time spent up to now is 107.4 secs Computing kpt #: 280 total cpu time spent up to now is 107.7 secs Computing kpt #: 281 total cpu time spent up to now is 108.1 secs Computing kpt #: 282 total cpu time spent up to now is 108.5 secs Computing kpt #: 283 total cpu time spent up to now is 108.9 secs Computing kpt #: 284 total cpu time spent up to now is 109.2 secs Computing kpt #: 285 total cpu time spent up to now is 109.6 secs Computing kpt #: 286 total cpu time spent up to now is 110.0 secs Computing kpt #: 287 total cpu time spent up to now is 110.4 secs Computing kpt #: 288 total cpu time spent up to now is 110.7 secs Computing kpt #: 289 total cpu time spent up to now is 111.1 secs Computing kpt #: 290 total cpu time spent up to now is 111.5 secs Computing kpt #: 291 total cpu time spent up to now is 111.8 secs Computing kpt #: 292 total cpu time spent up to now is 112.2 secs Computing kpt #: 293 total cpu time spent up to now is 112.5 secs Computing kpt #: 294 total cpu time spent up to now is 112.9 secs Computing kpt #: 295 total cpu time spent up to now is 113.2 secs Computing kpt #: 296 total cpu time spent up to now is 113.6 secs Computing kpt #: 297 total cpu time spent up to now is 114.0 secs Computing kpt #: 298 total cpu time spent up to now is 114.3 secs Computing kpt #: 299 total cpu time spent up to now is 114.7 secs Computing kpt #: 300 total cpu time spent up to now is 115.0 secs Computing kpt #: 301 total cpu time spent up to now is 115.4 secs Computing kpt #: 302 total cpu time spent up to now is 115.8 secs Computing kpt #: 303 total cpu time spent up to now is 116.1 secs Computing kpt #: 304 total cpu time spent up to now is 116.5 secs Computing kpt #: 305 total cpu time spent up to now is 116.9 secs Computing kpt #: 306 total cpu time spent up to now is 117.3 secs Computing kpt #: 307 total cpu time spent up to now is 117.6 secs Computing kpt #: 308 total cpu time spent up to now is 118.0 secs Computing kpt #: 309 total cpu time spent up to now is 118.4 secs Computing kpt #: 310 total cpu time spent up to now is 118.7 secs Computing kpt #: 311 total cpu time spent up to now is 119.1 secs Computing kpt #: 312 total cpu time spent up to now is 119.4 secs Computing kpt #: 313 total cpu time spent up to now is 119.7 secs Computing kpt #: 314 total cpu time spent up to now is 120.1 secs Computing kpt #: 315 total cpu time spent up to now is 120.4 secs Computing kpt #: 316 total cpu time spent up to now is 120.8 secs Computing kpt #: 317 total cpu time spent up to now is 121.1 secs Computing kpt #: 318 total cpu time spent up to now is 121.5 secs Computing kpt #: 319 total cpu time spent up to now is 121.9 secs Computing kpt #: 320 total cpu time spent up to now is 122.2 secs Computing kpt #: 321 total cpu time spent up to now is 122.6 secs Computing kpt #: 322 total cpu time spent up to now is 122.9 secs Computing kpt #: 323 total cpu time spent up to now is 123.3 secs Computing kpt #: 324 total cpu time spent up to now is 123.6 secs Computing kpt #: 325 total cpu time spent up to now is 124.0 secs Computing kpt #: 326 total cpu time spent up to now is 124.3 secs Computing kpt #: 327 total cpu time spent up to now is 124.7 secs Computing kpt #: 328 total cpu time spent up to now is 125.0 secs Computing kpt #: 329 total cpu time spent up to now is 125.4 secs Computing kpt #: 330 total cpu time spent up to now is 125.7 secs Computing kpt #: 331 total cpu time spent up to now is 126.1 secs Computing kpt #: 332 total cpu time spent up to now is 126.4 secs Computing kpt #: 333 total cpu time spent up to now is 126.8 secs Computing kpt #: 334 total cpu time spent up to now is 127.2 secs Computing kpt #: 335 total cpu time spent up to now is 127.5 secs Computing kpt #: 336 total cpu time spent up to now is 127.9 secs Computing kpt #: 337 total cpu time spent up to now is 128.2 secs Computing kpt #: 338 total cpu time spent up to now is 128.6 secs Computing kpt #: 339 total cpu time spent up to now is 129.0 secs Computing kpt #: 340 total cpu time spent up to now is 129.3 secs Computing kpt #: 341 total cpu time spent up to now is 129.7 secs Computing kpt #: 342 total cpu time spent up to now is 130.1 secs Computing kpt #: 343 total cpu time spent up to now is 130.4 secs Computing kpt #: 344 total cpu time spent up to now is 130.8 secs Computing kpt #: 345 total cpu time spent up to now is 131.1 secs Computing kpt #: 346 total cpu time spent up to now is 131.5 secs Computing kpt #: 347 total cpu time spent up to now is 131.9 secs Computing kpt #: 348 total cpu time spent up to now is 132.2 secs Computing kpt #: 349 total cpu time spent up to now is 132.6 secs Computing kpt #: 350 total cpu time spent up to now is 132.9 secs Computing kpt #: 351 total cpu time spent up to now is 133.2 secs Computing kpt #: 352 total cpu time spent up to now is 133.6 secs Computing kpt #: 353 total cpu time spent up to now is 133.9 secs Computing kpt #: 354 total cpu time spent up to now is 134.2 secs Computing kpt #: 355 total cpu time spent up to now is 134.6 secs Computing kpt #: 356 total cpu time spent up to now is 134.9 secs ethr = 2.50E-08, avg # of iterations = 19.5 total cpu time spent up to now is 134.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3677 PWs) bands (ev): -18.3313 -18.3313 -18.1871 -18.1871 -12.6957 -12.6957 -12.5130 -12.5130 -4.9106 -4.9106 -4.7721 -4.7721 -3.1214 -3.1214 -2.8481 -2.8481 -2.7967 -2.7967 -2.7440 -2.7440 -0.6497 -0.6497 -0.5533 -0.5533 2.4191 2.4191 2.6852 2.6852 2.8313 2.8313 2.8522 2.8522 3.3008 3.3008 3.6144 3.6144 8.7882 8.7882 8.8673 8.8673 9.1097 9.1097 9.9647 9.9647 12.0057 12.0057 12.3971 12.3971 k = 0.0109 0.0067-0.0034 ( 3675 PWs) bands (ev): -18.3311 -18.3311 -18.1871 -18.1871 -12.6956 -12.6956 -12.5132 -12.5132 -4.9111 -4.9111 -4.7722 -4.7722 -3.1222 -3.1222 -2.8483 -2.8483 -2.7973 -2.7973 -2.7450 -2.7450 -0.6489 -0.6489 -0.5529 -0.5529 2.4204 2.4204 2.6843 2.6843 2.8043 2.8043 2.8800 2.8800 3.3000 3.3000 3.6155 3.6155 8.7889 8.7889 8.8688 8.8688 9.1108 9.1108 9.9589 9.9589 12.0094 12.0094 12.3984 12.3984 k = 0.0217 0.0133-0.0068 ( 3677 PWs) bands (ev): -18.3306 -18.3306 -18.1869 -18.1869 -12.6953 -12.6953 -12.5138 -12.5138 -4.9127 -4.9127 -4.7725 -4.7725 -3.1244 -3.1244 -2.8488 -2.8488 -2.7993 -2.7993 -2.7478 -2.7478 -0.6465 -0.6465 -0.5519 -0.5519 2.4244 2.4244 2.6814 2.6814 2.7702 2.7702 2.9166 2.9166 3.2977 3.2977 3.6186 3.6186 8.7907 8.7907 8.8733 8.8733 9.1141 9.1141 9.9415 9.9415 12.0202 12.0202 12.4023 12.4023 k = 0.0326 0.0200-0.0102 ( 3670 PWs) bands (ev): -18.3298 -18.3298 -18.1866 -18.1866 -12.6948 -12.6948 -12.5148 -12.5148 -4.9152 -4.9152 -4.7731 -4.7731 -3.1282 -3.1282 -2.8497 -2.8497 -2.8027 -2.8027 -2.7522 -2.7522 -0.6427 -0.6427 -0.5503 -0.5503 2.4308 2.4308 2.6766 2.6766 2.7370 2.7370 2.9540 2.9540 3.2940 3.2940 3.6237 3.6237 8.7938 8.7938 8.8808 8.8808 9.1197 9.1197 9.9131 9.9131 12.0377 12.0377 12.4087 12.4087 k = 0.0435 0.0266-0.0135 ( 3670 PWs) bands (ev): -18.3287 -18.3287 -18.1862 -18.1862 -12.6942 -12.6942 -12.5162 -12.5162 -4.9186 -4.9186 -4.7739 -4.7739 -3.1333 -3.1333 -2.8514 -2.8514 -2.8075 -2.8075 -2.7578 -2.7578 -0.6374 -0.6374 -0.5480 -0.5480 2.4397 2.4397 2.6700 2.6700 2.7054 2.7054 2.9913 2.9913 3.2893 3.2893 3.6305 3.6305 8.7981 8.7981 8.8912 8.8912 9.1276 9.1276 9.8745 9.8745 12.0614 12.0614 12.4174 12.4174 k = 0.0543 0.0333-0.0169 ( 3668 PWs) bands (ev): -18.3273 -18.3273 -18.1856 -18.1856 -12.6933 -12.6933 -12.5180 -12.5180 -4.9230 -4.9230 -4.7750 -4.7750 -3.1399 -3.1399 -2.8541 -2.8541 -2.8137 -2.8137 -2.7641 -2.7641 -0.6308 -0.6308 -0.5452 -0.5452 2.4510 2.4510 2.6603 2.6603 2.6770 2.6770 3.0278 3.0278 3.2840 3.2840 3.6389 3.6389 8.8037 8.8037 8.9046 8.9046 9.1377 9.1377 9.8265 9.8265 12.0905 12.0905 12.4284 12.4284 k = 0.0652 0.0400-0.0203 ( 3660 PWs) bands (ev): -18.3256 -18.3256 -18.1850 -18.1850 -12.6922 -12.6922 -12.5201 -12.5201 -4.9284 -4.9284 -4.7763 -4.7763 -3.1478 -3.1478 -2.8588 -2.8588 -2.8210 -2.8210 -2.7706 -2.7706 -0.6229 -0.6229 -0.5418 -0.5418 2.4645 2.4645 2.6411 2.6411 2.6590 2.6590 3.0625 3.0625 3.2793 3.2793 3.6486 3.6486 8.8104 8.8104 8.9208 8.9208 9.1502 9.1502 9.7703 9.7703 12.1242 12.1242 12.4413 12.4413 k = 0.0761 0.0466-0.0237 ( 3662 PWs) bands (ev): -18.3236 -18.3236 -18.1842 -18.1842 -12.6910 -12.6910 -12.5227 -12.5227 -4.9346 -4.9346 -4.7778 -4.7778 -3.1569 -3.1569 -2.8665 -2.8665 -2.8284 -2.8284 -2.7768 -2.7768 -0.6141 -0.6141 -0.5380 -0.5380 2.4800 2.4800 2.6157 2.6157 2.6483 2.6483 3.0934 3.0934 3.2766 3.2766 3.6594 3.6594 8.8183 8.8183 8.9399 8.9399 9.1650 9.1650 9.7069 9.7069 12.1618 12.1618 12.4560 12.4560 k = 0.0870 0.0533-0.0271 ( 3667 PWs) bands (ev): -18.3213 -18.3213 -18.1834 -18.1834 -12.6896 -12.6896 -12.5256 -12.5256 -4.9417 -4.9417 -4.7796 -4.7796 -3.1672 -3.1672 -2.8782 -2.8782 -2.8350 -2.8350 -2.7825 -2.7825 -0.6044 -0.6044 -0.5338 -0.5338 2.4971 2.4971 2.5911 2.5911 2.6387 2.6387 3.1175 3.1175 3.2790 3.2790 3.6708 3.6708 8.8273 8.8273 8.9617 8.9617 9.1821 9.1821 9.6374 9.6374 12.2025 12.2025 12.4720 12.4720 k = 0.0978 0.0599-0.0305 ( 3671 PWs) bands (ev): -18.3187 -18.3187 -18.1824 -18.1824 -12.6880 -12.6880 -12.5288 -12.5288 -4.9496 -4.9496 -4.7817 -4.7817 -3.1786 -3.1786 -2.8940 -2.8940 -2.8409 -2.8409 -2.7874 -2.7874 -0.5940 -0.5940 -0.5291 -0.5291 2.5148 2.5148 2.5689 2.5689 2.6301 2.6301 3.1317 3.1317 3.2898 3.2898 3.6827 3.6827 8.8376 8.8376 8.9861 8.9861 9.2016 9.2016 9.5629 9.5629 12.2459 12.2459 12.4890 12.4890 k = 0.1087 0.0666-0.0339 ( 3672 PWs) bands (ev): -18.3159 -18.3159 -18.1813 -18.1813 -12.6863 -12.6863 -12.5324 -12.5324 -4.9582 -4.9582 -4.7840 -4.7840 -3.1910 -3.1910 -2.9132 -2.9132 -2.8466 -2.8466 -2.7914 -2.7914 -0.5832 -0.5832 -0.5242 -0.5242 2.5287 2.5287 2.5523 2.5523 2.6236 2.6236 3.1346 3.1346 3.3101 3.3101 3.6947 3.6947 8.8491 8.8491 9.0129 9.0129 9.2234 9.2234 9.4843 9.4843 12.2913 12.2913 12.5067 12.5067 k = 0.1196 0.0733-0.0372 ( 3673 PWs) bands (ev): -18.3128 -18.3128 -18.1802 -18.1802 -12.6844 -12.6844 -12.5363 -12.5363 -4.9676 -4.9676 -4.7866 -4.7866 -3.2042 -3.2042 -2.9349 -2.9349 -2.8526 -2.8526 -2.7946 -2.7946 -0.5723 -0.5723 -0.5189 -0.5189 2.5223 2.5223 2.5553 2.5553 2.6222 2.6222 3.1284 3.1284 3.3378 3.3378 3.7067 3.7067 8.8618 8.8618 9.0418 9.0418 9.2476 9.2476 9.4030 9.4030 12.3386 12.3386 12.5246 12.5246 k = 0.1304 0.0799-0.0406 ( 3672 PWs) bands (ev): -18.3095 -18.3095 -18.1789 -18.1789 -12.6824 -12.6824 -12.5405 -12.5405 -4.9776 -4.9776 -4.7894 -4.7894 -3.2183 -3.2183 -2.9586 -2.9586 -2.8593 -2.8593 -2.7970 -2.7970 -0.5616 -0.5616 -0.5132 -0.5132 2.5071 2.5071 2.5621 2.5621 2.6303 2.6303 3.1162 3.1162 3.3696 3.3696 3.7183 3.7183 8.8758 8.8758 9.0718 9.0718 9.2735 9.2735 9.3208 9.3208 12.3874 12.3874 12.5423 12.5423 k = 0.1413 0.0866-0.0440 ( 3671 PWs) bands (ev): -18.3060 -18.3060 -18.1776 -18.1776 -12.6802 -12.6802 -12.5450 -12.5450 -4.9882 -4.9882 -4.7925 -4.7925 -3.2332 -3.2332 -2.9838 -2.9838 -2.8666 -2.8666 -2.7985 -2.7985 -0.5514 -0.5514 -0.5069 -0.5069 2.4928 2.4928 2.5623 2.5623 2.6487 2.6487 3.1002 3.1002 3.4035 3.4035 3.7293 3.7293 8.8912 8.8912 9.0988 9.0988 9.2398 9.2398 9.3039 9.3039 12.4377 12.4377 12.5594 12.5594 k = 0.1522 0.0932-0.0474 ( 3677 PWs) bands (ev): -18.3022 -18.3022 -18.1761 -18.1761 -12.6780 -12.6780 -12.5497 -12.5497 -4.9994 -4.9994 -4.7958 -4.7958 -3.2487 -3.2487 -3.0102 -3.0102 -2.8748 -2.8748 -2.7994 -2.7994 -0.5421 -0.5421 -0.5000 -0.5000 2.4803 2.4803 2.5587 2.5587 2.6736 2.6736 3.0816 3.0816 3.4382 3.4382 3.7395 3.7395 8.9078 8.9078 9.0965 9.0965 9.1909 9.1909 9.3345 9.3345 12.4891 12.4891 12.5756 12.5756 k = 0.1630 0.0999-0.0508 ( 3671 PWs) bands (ev): -18.2982 -18.2982 -18.1747 -18.1747 -12.6756 -12.6756 -12.5547 -12.5547 -5.0111 -5.0111 -4.7994 -4.7994 -3.2647 -3.2647 -3.0374 -3.0374 -2.8836 -2.8836 -2.7998 -2.7998 -0.5341 -0.5341 -0.4923 -0.4923 2.4698 2.4698 2.5541 2.5541 2.7022 2.7022 3.0613 3.0613 3.4728 3.4728 3.7489 3.7489 8.9259 8.9259 9.0306 9.0306 9.2066 9.2066 9.3676 9.3676 12.5413 12.5413 12.5908 12.5908 k = 0.1739 0.1066-0.0542 ( 3675 PWs) bands (ev): -18.2941 -18.2941 -18.1731 -18.1731 -12.6731 -12.6731 -12.5599 -12.5599 -5.0233 -5.0233 -4.8031 -4.8031 -3.2813 -3.2813 -3.0652 -3.0652 -2.8930 -2.8930 -2.7997 -2.7997 -0.5276 -0.5276 -0.4838 -0.4838 2.4613 2.4613 2.5499 2.5499 2.7330 2.7330 3.0399 3.0399 3.5069 3.5069 3.7571 3.7571 8.9428 8.9428 8.9482 8.9482 9.2430 9.2430 9.4028 9.4028 12.5902 12.5902 12.6090 12.6090 k = 0.1848 0.1132-0.0576 ( 3667 PWs) bands (ev): -18.2898 -18.2898 -18.1715 -18.1715 -12.6705 -12.6705 -12.5653 -12.5653 -5.0359 -5.0359 -4.8071 -4.8071 -3.2984 -3.2984 -3.0934 -3.0934 -2.9029 -2.9029 -2.7993 -2.7993 -0.5225 -0.5225 -0.4748 -0.4748 2.4548 2.4548 2.5466 2.5466 2.7654 2.7654 3.0178 3.0178 3.5400 3.5400 3.7640 3.7640 8.8571 8.8571 8.9666 8.9666 9.2848 9.2848 9.4400 9.4400 12.6104 12.6104 12.6553 12.6553 k = 0.1957 0.1199-0.0610 ( 3669 PWs) bands (ev): -18.2854 -18.2854 -18.1699 -18.1699 -12.6678 -12.6678 -12.5709 -12.5709 -5.0488 -5.0488 -4.8112 -4.8112 -3.3159 -3.3159 -3.1216 -3.1216 -2.9131 -2.9131 -2.7986 -2.7986 -0.5186 -0.5186 -0.4655 -0.4655 2.4502 2.4502 2.5447 2.5447 2.7989 2.7989 2.9952 2.9952 3.5720 3.5720 3.7697 3.7697 8.7680 8.7680 8.9891 8.9891 9.3295 9.3295 9.4791 9.4791 12.6197 12.6197 12.7115 12.7115 k = 0.2065 0.1265-0.0643 ( 3671 PWs) bands (ev): -18.2809 -18.2809 -18.1682 -18.1682 -12.6650 -12.6650 -12.5766 -12.5766 -5.0620 -5.0620 -4.8155 -4.8155 -3.3338 -3.3338 -3.1496 -3.1496 -2.9237 -2.9237 -2.7976 -2.7976 -0.5159 -0.5159 -0.4562 -0.4562 2.4473 2.4473 2.5444 2.5444 2.8330 2.8330 2.9728 2.9728 3.6026 3.6026 3.7739 3.7739 8.6791 8.6791 9.0133 9.0133 9.3765 9.3765 9.5199 9.5199 12.6259 12.6259 12.7698 12.7698 k = 0.2174 0.1332-0.0677 ( 3671 PWs) bands (ev): -18.2762 -18.2762 -18.1664 -18.1664 -12.6622 -12.6622 -12.5825 -12.5825 -5.0754 -5.0754 -4.8200 -4.8200 -3.3520 -3.3520 -3.1772 -3.1772 -2.9344 -2.9344 -2.7965 -2.7965 -0.5141 -0.5141 -0.4472 -0.4472 2.4459 2.4459 2.5458 2.5458 2.8671 2.8671 2.9511 2.9511 3.6315 3.6315 3.7768 3.7768 8.5909 8.5909 9.0390 9.0390 9.4252 9.4252 9.5623 9.5623 12.6294 12.6294 12.8299 12.8299 k = 0.2283 0.1399-0.0711 ( 3657 PWs) bands (ev): -18.2715 -18.2715 -18.1647 -18.1647 -12.6594 -12.6594 -12.5884 -12.5884 -5.0890 -5.0890 -4.8245 -4.8245 -3.3706 -3.3706 -3.2043 -3.2043 -2.9453 -2.9453 -2.7952 -2.7952 -0.5132 -0.5132 -0.4387 -0.4387 2.4459 2.4459 2.5491 2.5491 2.8982 2.8982 2.9336 2.9336 3.6585 3.6585 3.7784 3.7784 8.5039 8.5039 9.0664 9.0664 9.4755 9.4755 9.6062 9.6062 12.6300 12.6300 12.8914 12.8914 k = 0.2391 0.1465-0.0745 ( 3661 PWs) bands (ev): -18.2667 -18.2667 -18.1629 -18.1629 -12.6565 -12.6565 -12.5945 -12.5945 -5.1027 -5.1027 -4.8292 -4.8292 -3.3896 -3.3896 -3.2306 -3.2306 -2.9563 -2.9563 -2.7938 -2.7938 -0.5131 -0.5131 -0.4307 -0.4307 2.4468 2.4468 2.5543 2.5543 2.9003 2.9003 2.9459 2.9459 3.6831 3.6831 3.7789 3.7789 8.4185 8.4185 9.0954 9.0954 9.5271 9.5271 9.6514 9.6514 12.6277 12.6277 12.9544 12.9544 k = 0.2500 0.1532-0.0779 ( 3663 PWs) bands (ev): -18.2619 -18.2619 -18.1611 -18.1611 -12.6536 -12.6536 -12.6006 -12.6006 -5.1165 -5.1165 -4.8340 -4.8340 -3.4088 -3.4088 -3.2559 -3.2559 -2.9673 -2.9673 -2.7923 -2.7923 -0.5137 -0.5137 -0.4235 -0.4235 2.4485 2.4485 2.5614 2.5614 2.8829 2.8829 2.9789 2.9789 3.7046 3.7046 3.7791 3.7791 8.3348 8.3348 9.1259 9.1259 9.5798 9.5798 9.6977 9.6977 12.6224 12.6224 13.0187 13.0187 k = 0.2609 0.1599-0.0813 ( 3666 PWs) bands (ev): -18.2571 -18.2571 -18.1593 -18.1593 -12.6508 -12.6508 -12.6066 -12.6066 -5.1302 -5.1302 -4.8388 -4.8388 -3.4283 -3.4283 -3.2800 -3.2800 -2.9783 -2.9783 -2.7907 -2.7907 -0.5149 -0.5149 -0.4169 -0.4169 2.4506 2.4506 2.5705 2.5705 2.8651 2.8651 3.0138 3.0138 3.7213 3.7213 3.7804 3.7804 8.2531 8.2531 9.1580 9.1580 9.6334 9.6334 9.7450 9.7450 12.6139 12.6139 13.0841 13.0841 k = 0.2717 0.1665-0.0847 ( 3668 PWs) bands (ev): -18.2523 -18.2523 -18.1575 -18.1575 -12.6479 -12.6479 -12.6127 -12.6127 -5.1439 -5.1439 -4.8436 -4.8436 -3.4480 -3.4480 -3.3030 -3.3030 -2.9891 -2.9891 -2.7890 -2.7890 -0.5167 -0.5167 -0.4111 -0.4111 2.4525 2.4525 2.5816 2.5816 2.8489 2.8489 3.0488 3.0488 3.7307 3.7307 3.7855 3.7855 8.1737 8.1737 9.1916 9.1916 9.6877 9.6877 9.7931 9.7931 12.6022 12.6022 13.1504 13.1504 k = 0.2826 0.1732-0.0880 ( 3663 PWs) bands (ev): -18.2475 -18.2475 -18.1558 -18.1558 -12.6450 -12.6450 -12.6187 -12.6187 -5.1574 -5.1574 -4.8484 -4.8484 -3.4679 -3.4679 -3.3246 -3.3246 -2.9997 -2.9997 -2.7873 -2.7873 -0.5190 -0.5190 -0.4060 -0.4060 2.4540 2.4540 2.5946 2.5946 2.8350 2.8350 3.0834 3.0834 3.7317 3.7317 3.7955 3.7955 8.0968 8.0968 9.2267 9.2267 9.7425 9.7425 9.8418 9.8418 12.5871 12.5871 13.2173 13.2173 k = 0.2935 0.1798-0.0914 ( 3665 PWs) bands (ev): -18.2428 -18.2428 -18.1540 -18.1540 -12.6422 -12.6422 -12.6247 -12.6247 -5.1707 -5.1707 -4.8532 -4.8532 -3.4878 -3.4878 -3.3448 -3.3448 -3.0102 -3.0102 -2.7855 -2.7855 -0.5218 -0.5218 -0.4017 -0.4017 2.4545 2.4545 2.6095 2.6095 2.8238 2.8238 3.1174 3.1174 3.7263 3.7263 3.8082 3.8082 8.0226 8.0226 9.2631 9.2631 9.7974 9.7974 9.8908 9.8908 12.5685 12.5685 13.2843 13.2843 k = 0.3043 0.1865-0.0948 ( 3667 PWs) bands (ev): -18.2382 -18.2382 -18.1523 -18.1523 -12.6395 -12.6395 -12.6305 -12.6305 -5.1838 -5.1838 -4.8580 -4.8580 -3.5077 -3.5077 -3.3637 -3.3637 -3.0204 -3.0204 -2.7838 -2.7838 -0.5250 -0.5250 -0.3981 -0.3981 2.4536 2.4536 2.6260 2.6260 2.8157 2.8157 3.1507 3.1507 3.7170 3.7170 3.8212 3.8212 7.9512 7.9512 9.3008 9.3008 9.8524 9.8524 9.9399 9.9399 12.5465 12.5465 13.3509 13.3509 k = 0.3152 0.1932-0.0982 ( 3661 PWs) bands (ev): -18.2336 -18.2336 -18.1506 -18.1506 -12.6371 -12.6371 -12.6360 -12.6360 -5.1966 -5.1966 -4.8627 -4.8627 -3.5274 -3.5274 -3.3812 -3.3812 -3.0302 -3.0302 -2.7820 -2.7820 -0.5285 -0.5285 -0.3951 -0.3951 2.4512 2.4512 2.6443 2.6443 2.8111 2.8111 3.1829 3.1829 3.7051 3.7051 3.8336 3.8336 7.8827 7.8827 9.3395 9.3395 9.9071 9.9071 9.9890 9.9890 12.5209 12.5209 13.4165 13.4165 k = 0.3261 0.1998-0.1016 ( 3666 PWs) bands (ev): -18.2292 -18.2292 -18.1490 -18.1490 -12.6419 -12.6419 -12.6341 -12.6341 -5.2090 -5.2090 -4.8672 -4.8672 -3.5467 -3.5467 -3.3973 -3.3973 -3.0397 -3.0397 -2.7802 -2.7802 -0.5322 -0.5322 -0.3928 -0.3928 2.4470 2.4470 2.6640 2.6640 2.8098 2.8098 3.2139 3.2139 3.6911 3.6911 3.8447 3.8447 7.8174 7.8174 9.3792 9.3792 9.9612 9.9612 10.0377 10.0377 12.4920 12.4920 13.4804 13.4804 k = 0.3370 0.2065-0.1050 ( 3667 PWs) bands (ev): -18.2249 -18.2249 -18.1474 -18.1474 -12.6473 -12.6473 -12.6316 -12.6316 -5.2210 -5.2210 -4.8717 -4.8717 -3.5656 -3.5656 -3.4123 -3.4123 -3.0488 -3.0488 -2.7784 -2.7784 -0.5362 -0.5362 -0.3911 -0.3911 2.4412 2.4412 2.6850 2.6850 2.8120 2.8120 3.2436 3.2436 3.6755 3.6755 3.8544 3.8544 7.7554 7.7554 9.4195 9.4195 10.0144 10.0144 10.0858 10.0858 12.4599 12.4599 13.5417 13.5417 k = 0.3478 0.2131-0.1084 ( 3667 PWs) bands (ev): -18.2208 -18.2208 -18.1459 -18.1459 -12.6525 -12.6525 -12.6292 -12.6292 -5.2325 -5.2325 -4.8760 -4.8760 -3.5838 -3.5838 -3.4260 -3.4260 -3.0575 -3.0575 -2.7767 -2.7767 -0.5403 -0.5403 -0.3899 -0.3899 2.4339 2.4339 2.7070 2.7070 2.8174 2.8174 3.2716 3.2716 3.6585 3.6585 3.8626 3.8626 7.6968 7.6968 9.4604 9.4604 10.0665 10.0665 10.1330 10.1330 12.4249 12.4249 13.5993 13.5993 k = 0.3587 0.2198-0.1117 ( 3663 PWs) bands (ev): -18.2169 -18.2169 -18.1445 -18.1445 -12.6574 -12.6574 -12.6268 -12.6268 -5.2434 -5.2434 -4.8801 -4.8801 -3.6012 -3.6012 -3.4386 -3.4386 -3.0657 -3.0657 -2.7750 -2.7750 -0.5444 -0.5444 -0.3891 -0.3891 2.4254 2.4254 2.7297 2.7297 2.8258 2.8258 3.2978 3.2978 3.6404 3.6404 3.8695 3.8695 7.6417 7.6417 9.5014 9.5014 10.1171 10.1171 10.1791 10.1791 12.3875 12.3875 13.6523 13.6523 k = 0.3696 0.2265-0.1151 ( 3658 PWs) bands (ev): -18.2132 -18.2132 -18.1431 -18.1431 -12.6621 -12.6621 -12.6247 -12.6247 -5.2538 -5.2538 -4.8840 -4.8840 -3.6177 -3.6177 -3.4501 -3.4501 -3.0735 -3.0735 -2.7734 -2.7734 -0.5486 -0.5486 -0.3887 -0.3887 2.4160 2.4160 2.7527 2.7527 2.8370 2.8370 3.3219 3.3219 3.6216 3.6216 3.8750 3.8750 7.5903 7.5903 9.5424 9.5424 10.1659 10.1659 10.2237 10.2237 12.3480 12.3480 13.6992 13.6992 k = 0.3804 0.2331-0.1185 ( 3655 PWs) bands (ev): -18.2097 -18.2097 -18.1419 -18.1419 -12.6665 -12.6665 -12.6226 -12.6226 -5.2635 -5.2635 -4.8877 -4.8877 -3.6332 -3.6332 -3.4606 -3.4606 -3.0807 -3.0807 -2.7719 -2.7719 -0.5526 -0.5526 -0.3887 -0.3887 2.4063 2.4063 2.7754 2.7754 2.8508 2.8508 3.3434 3.3434 3.6025 3.6025 3.8793 3.8793 7.5426 7.5426 9.5828 9.5828 10.2126 10.2126 10.2665 10.2665 12.3072 12.3072 13.7383 13.7383 k = 0.3913 0.2398-0.1219 ( 3652 PWs) bands (ev): -18.2064 -18.2064 -18.1407 -18.1407 -12.6706 -12.6706 -12.6207 -12.6207 -5.2725 -5.2725 -4.8912 -4.8912 -3.6476 -3.6476 -3.4700 -3.4700 -3.0873 -3.0873 -2.7704 -2.7704 -0.5566 -0.5566 -0.3889 -0.3889 2.3963 2.3963 2.7969 2.7969 2.8674 2.8674 3.3616 3.3616 3.5838 3.5838 3.8824 3.8824 7.4988 7.4988 9.6223 9.6223 10.2569 10.2569 10.3073 10.3073 12.2657 12.2657 13.7667 13.7667 k = 0.4022 0.2464-0.1253 ( 3662 PWs) bands (ev): -18.2034 -18.2034 -18.1396 -18.1396 -12.6744 -12.6744 -12.6189 -12.6189 -5.2809 -5.2809 -4.8944 -4.8944 -3.6609 -3.6609 -3.4785 -3.4785 -3.0934 -3.0934 -2.7691 -2.7691 -0.5603 -0.5603 -0.3893 -0.3893 2.3865 2.3865 2.8167 2.8167 2.8867 2.8867 3.3759 3.3759 3.5665 3.5665 3.8845 3.8845 7.4588 7.4588 9.6605 9.6605 10.2982 10.2982 10.3456 10.3456 12.2242 12.2242 13.7811 13.7811 k = 0.4130 0.2531-0.1287 ( 3667 PWs) bands (ev): -18.2007 -18.2007 -18.1386 -18.1386 -12.6779 -12.6779 -12.6173 -12.6173 -5.2884 -5.2884 -4.8973 -4.8973 -3.6729 -3.6729 -3.4860 -3.4860 -3.0989 -3.0989 -2.7678 -2.7678 -0.5638 -0.5638 -0.3898 -0.3898 2.3772 2.3772 2.8343 2.8343 2.9085 2.9085 3.3850 3.3850 3.5519 3.5519 3.8858 3.8858 7.4229 7.4229 9.6967 9.6967 10.3364 10.3364 10.3812 10.3812 12.1836 12.1836 13.7820 13.7820 k = 0.4239 0.2598-0.1321 ( 3671 PWs) bands (ev): -18.1983 -18.1983 -18.1377 -18.1377 -12.6809 -12.6809 -12.6159 -12.6159 -5.2952 -5.2952 -4.8999 -4.8999 -3.6836 -3.6836 -3.4926 -3.4926 -3.1038 -3.1038 -2.7667 -2.7667 -0.5670 -0.5670 -0.3904 -0.3904 2.3685 2.3685 2.8496 2.8496 2.9322 2.9322 3.3877 3.3877 3.5413 3.5413 3.8863 3.8863 7.3910 7.3910 9.7307 9.7307 10.3711 10.3711 10.4137 10.4137 12.1449 12.1449 13.7756 13.7756 k = 0.4348 0.2664-0.1354 ( 3673 PWs) bands (ev): -18.1961 -18.1961 -18.1369 -18.1369 -12.6836 -12.6836 -12.6146 -12.6146 -5.3011 -5.3011 -4.9022 -4.9022 -3.6929 -3.6929 -3.4983 -3.4983 -3.1081 -3.1081 -2.7657 -2.7657 -0.5699 -0.5699 -0.3910 -0.3910 2.3607 2.3607 2.8627 2.8627 2.9569 2.9569 3.3835 3.3835 3.5356 3.5356 3.8864 3.8864 7.3633 7.3633 9.7617 9.7617 10.4019 10.4019 10.4428 10.4428 12.1088 12.1088 13.7670 13.7670 k = 0.4457 0.2731-0.1388 ( 3678 PWs) bands (ev): -18.1943 -18.1943 -18.1363 -18.1363 -12.6859 -12.6859 -12.6136 -12.6136 -5.3062 -5.3062 -4.9041 -4.9041 -3.7009 -3.7009 -3.5031 -3.5031 -3.1118 -3.1118 -2.7648 -2.7648 -0.5724 -0.5724 -0.3916 -0.3916 2.3538 2.3538 2.8738 2.8738 2.9816 2.9816 3.3735 3.3735 3.5341 3.5341 3.8861 3.8861 7.3397 7.3397 9.7892 9.7892 10.4286 10.4286 10.4682 10.4682 12.0763 12.0763 13.7583 13.7583 k = 0.4565 0.2797-0.1422 ( 3678 PWs) bands (ev): -18.1928 -18.1928 -18.1357 -18.1357 -12.6879 -12.6879 -12.6127 -12.6127 -5.3103 -5.3103 -4.9057 -4.9057 -3.7075 -3.7075 -3.5070 -3.5070 -3.1148 -3.1148 -2.7641 -2.7641 -0.5745 -0.5745 -0.3921 -0.3921 2.3481 2.3481 2.8829 2.8829 3.0053 3.0053 3.3599 3.3599 3.5354 3.5354 3.8855 3.8855 7.3204 7.3204 9.8126 9.8126 10.4508 10.4508 10.4895 10.4895 12.0483 12.0483 13.7505 13.7505 k = 0.4674 0.2864-0.1456 ( 3676 PWs) bands (ev): -18.1916 -18.1916 -18.1353 -18.1353 -12.6893 -12.6893 -12.6120 -12.6120 -5.3136 -5.3136 -4.9070 -4.9070 -3.7126 -3.7126 -3.5100 -3.5100 -3.1171 -3.1171 -2.7635 -2.7635 -0.5761 -0.5761 -0.3926 -0.3926 2.3435 2.3435 2.8901 2.8901 3.0266 3.0266 3.3452 3.3452 3.5378 3.5378 3.8850 3.8850 7.3053 7.3053 9.8315 9.8315 10.4684 10.4684 10.5064 10.5064 12.0255 12.0255 13.7443 13.7443 k = 0.4783 0.2931-0.1490 ( 3675 PWs) bands (ev): -18.1908 -18.1908 -18.1350 -18.1350 -12.6904 -12.6904 -12.6115 -12.6115 -5.3159 -5.3159 -4.9079 -4.9079 -3.7163 -3.7163 -3.5122 -3.5122 -3.1188 -3.1188 -2.7631 -2.7631 -0.5773 -0.5773 -0.3929 -0.3929 2.3402 2.3402 2.8953 2.8953 3.0440 3.0440 3.3320 3.3320 3.5403 3.5403 3.8845 3.8845 7.2945 7.2945 9.8453 9.8453 10.4811 10.4811 10.5187 10.5187 12.0087 12.0087 13.7397 13.7397 k = 0.4891 0.2997-0.1524 ( 3678 PWs) bands (ev): -18.1903 -18.1903 -18.1348 -18.1348 -12.6911 -12.6911 -12.6112 -12.6112 -5.3174 -5.3174 -4.9085 -4.9085 -3.7185 -3.7185 -3.5135 -3.5135 -3.1198 -3.1198 -2.7629 -2.7629 -0.5781 -0.5781 -0.3932 -0.3932 2.3382 2.3382 2.8984 2.8984 3.0556 3.0556 3.3227 3.3227 3.5420 3.5420 3.8841 3.8841 7.2881 7.2881 9.8537 9.8537 10.4887 10.4887 10.5262 10.5262 11.9984 11.9984 13.7369 13.7369 k = 0.5000 0.3064-0.1558 ( 3682 PWs) bands (ev): -18.1901 -18.1901 -18.1347 -18.1347 -12.6913 -12.6913 -12.6111 -12.6111 -5.3178 -5.3178 -4.9087 -4.9087 -3.7193 -3.7193 -3.5139 -3.5139 -3.1201 -3.1201 -2.7628 -2.7628 -0.5783 -0.5783 -0.3932 -0.3932 2.3375 2.3375 2.8994 2.8994 3.0597 3.0597 3.3193 3.3193 3.5426 3.5426 3.8840 3.8840 7.2859 7.2859 9.8565 9.8565 10.4913 10.4913 10.5287 10.5287 11.9950 11.9950 13.7360 13.7360 k = 0.5000 0.3064-0.1558 ( 3682 PWs) bands (ev): -18.1901 -18.1901 -18.1347 -18.1347 -12.6913 -12.6913 -12.6111 -12.6111 -5.3178 -5.3178 -4.9087 -4.9087 -3.7193 -3.7193 -3.5139 -3.5139 -3.1201 -3.1201 -2.7628 -2.7628 -0.5783 -0.5783 -0.3932 -0.3932 2.3375 2.3375 2.8994 2.8994 3.0597 3.0597 3.3193 3.3193 3.5426 3.5426 3.8840 3.8840 7.2859 7.2859 9.8565 9.8565 10.4913 10.4913 10.5287 10.5287 11.9950 11.9950 13.7360 13.7360 k = 0.5027 0.3081-0.1437 ( 3685 PWs) bands (ev): -18.1900 -18.1900 -18.1348 -18.1348 -12.6912 -12.6912 -12.6112 -12.6112 -5.3173 -5.3173 -4.9092 -4.9092 -3.7184 -3.7184 -3.5135 -3.5135 -3.1208 -3.1208 -2.7642 -2.7642 -0.5777 -0.5777 -0.3930 -0.3930 2.3396 2.3396 2.8987 2.8987 3.0574 3.0574 3.3211 3.3211 3.5415 3.5415 3.8842 3.8842 7.2874 7.2874 9.8536 9.8536 10.4909 10.4909 10.5266 10.5266 11.9992 11.9992 13.7365 13.7365 k = 0.5055 0.3097-0.1316 ( 3681 PWs) bands (ev): -18.1898 -18.1898 -18.1351 -18.1351 -12.6909 -12.6909 -12.6115 -12.6115 -5.3156 -5.3156 -4.9106 -4.9106 -3.7158 -3.7158 -3.5123 -3.5123 -3.1228 -3.1228 -2.7685 -2.7685 -0.5759 -0.5759 -0.3922 -0.3922 2.3457 2.3457 2.8967 2.8967 3.0508 3.0508 3.3261 3.3261 3.5383 3.5383 3.8848 3.8848 7.2918 7.2918 9.8449 9.8449 10.4900 10.4900 10.5206 10.5206 12.0116 12.0116 13.7382 13.7382 k = 0.5082 0.3114-0.1195 ( 3677 PWs) bands (ev): -18.1895 -18.1895 -18.1355 -18.1355 -12.6904 -12.6904 -12.6120 -12.6120 -5.3128 -5.3128 -4.9131 -4.9131 -3.7115 -3.7115 -3.5102 -3.5102 -3.1262 -3.1262 -2.7754 -2.7754 -0.5729 -0.5729 -0.3908 -0.3908 2.3558 2.3558 2.8934 2.8934 3.0406 3.0406 3.3334 3.3334 3.5332 3.5332 3.8859 3.8859 7.2991 7.2991 9.8304 9.8304 10.4880 10.4880 10.5113 10.5113 12.0320 12.0320 13.7410 13.7410 k = 0.5109 0.3131-0.1075 ( 3677 PWs) bands (ev): -18.1890 -18.1890 -18.1361 -18.1361 -12.6897 -12.6897 -12.6126 -12.6126 -5.3090 -5.3090 -4.9165 -4.9165 -3.7055 -3.7055 -3.5072 -3.5072 -3.1309 -3.1309 -2.7851 -2.7851 -0.5687 -0.5687 -0.3890 -0.3890 2.3698 2.3698 2.8888 2.8888 3.0275 3.0275 3.3418 3.3418 3.5268 3.5268 3.8872 3.8872 7.3094 7.3094 9.8100 9.8100 10.4841 10.4841 10.5006 10.5006 12.0596 12.0596 13.7447 13.7447 k = 0.5137 0.3148-0.0954 ( 3677 PWs) bands (ev): -18.1884 -18.1884 -18.1368 -18.1368 -12.6888 -12.6888 -12.6134 -12.6134 -5.3041 -5.3041 -4.9209 -4.9209 -3.6978 -3.6978 -3.5034 -3.5034 -3.1368 -3.1368 -2.7973 -2.7973 -0.5634 -0.5634 -0.3867 -0.3867 2.3876 2.3876 2.8830 2.8830 3.0121 3.0121 3.3496 3.3496 3.5202 3.5202 3.8889 3.8889 7.3226 7.3226 9.7838 9.7838 10.4749 10.4749 10.4924 10.4924 12.0937 12.0937 13.7492 13.7492 k = 0.5164 0.3164-0.0833 ( 3672 PWs) bands (ev): -18.1877 -18.1877 -18.1377 -18.1377 -12.6878 -12.6878 -12.6145 -12.6145 -5.2982 -5.2982 -4.9262 -4.9262 -3.6884 -3.6884 -3.4988 -3.4988 -3.1440 -3.1440 -2.8119 -2.8119 -0.5571 -0.5571 -0.3841 -0.3841 2.4090 2.4090 2.8761 2.8761 2.9953 2.9953 3.3549 3.3549 3.5146 3.5146 3.8908 3.8908 7.3387 7.3387 9.7520 9.7520 10.4604 10.4604 10.4878 10.4878 12.1336 12.1336 13.7545 13.7545 k = 0.5191 0.3181-0.0712 ( 3672 PWs) bands (ev): -18.1868 -18.1868 -18.1388 -18.1388 -12.6865 -12.6865 -12.6156 -12.6156 -5.2912 -5.2912 -4.9323 -4.9323 -3.6775 -3.6775 -3.4934 -3.4934 -3.1524 -3.1524 -2.8287 -2.8287 -0.5499 -0.5499 -0.3811 -0.3811 2.4338 2.4338 2.8681 2.8681 2.9774 2.9774 3.3554 3.3554 3.5121 3.5121 3.8929 3.8929 7.3577 7.3577 9.7146 9.7146 10.4436 10.4436 10.4843 10.4843 12.1784 12.1784 13.7603 13.7603 k = 0.5219 0.3198-0.0592 ( 3667 PWs) bands (ev): -18.1859 -18.1859 -18.1400 -18.1400 -12.6851 -12.6851 -12.6170 -12.6170 -5.2833 -5.2833 -4.9394 -4.9394 -3.6649 -3.6649 -3.4871 -3.4871 -3.1620 -3.1620 -2.8475 -2.8475 -0.5418 -0.5418 -0.3778 -0.3778 2.4618 2.4618 2.8592 2.8592 2.9589 2.9589 3.3495 3.3495 3.5141 3.5141 3.8951 3.8951 7.3795 7.3795 9.6721 9.6721 10.4263 10.4263 10.4810 10.4810 12.2274 12.2274 13.7665 13.7665 k = 0.5246 0.3215-0.0471 ( 3667 PWs) bands (ev): -18.1848 -18.1848 -18.1414 -18.1414 -12.6836 -12.6836 -12.6184 -12.6184 -5.2746 -5.2746 -4.9473 -4.9473 -3.6508 -3.6508 -3.4799 -3.4799 -3.1726 -3.1726 -2.8681 -2.8681 -0.5330 -0.5330 -0.3744 -0.3744 2.4928 2.4928 2.8496 2.8496 2.9401 2.9401 3.3364 3.3364 3.5210 3.5210 3.8972 3.8972 7.4042 7.4042 9.6246 9.6246 10.4092 10.4092 10.4776 10.4776 12.2798 12.2798 13.7730 13.7730 k = 0.5273 0.3231-0.0350 ( 3665 PWs) bands (ev): -18.1836 -18.1836 -18.1428 -18.1428 -12.6819 -12.6819 -12.6201 -12.6201 -5.2649 -5.2649 -4.9559 -4.9559 -3.6352 -3.6352 -3.4719 -3.4719 -3.1843 -3.1843 -2.8902 -2.8902 -0.5235 -0.5235 -0.3708 -0.3708 2.5264 2.5264 2.8392 2.8392 2.9213 2.9213 3.3169 3.3169 3.5319 3.5319 3.8994 3.8994 7.4316 7.4316 9.5728 9.5728 10.3927 10.3927 10.4741 10.4741 12.3348 12.3348 13.7796 13.7796 k = 0.5301 0.3248-0.0230 ( 3659 PWs) bands (ev): -18.1823 -18.1823 -18.1445 -18.1445 -12.6800 -12.6800 -12.6218 -12.6218 -5.2545 -5.2545 -4.9653 -4.9653 -3.6183 -3.6183 -3.4631 -3.4631 -3.1969 -3.1969 -2.9137 -2.9137 -0.5134 -0.5134 -0.3672 -0.3672 2.5623 2.5623 2.8285 2.8285 2.9026 2.9026 3.2922 3.2922 3.5458 3.5458 3.9014 3.9014 7.4618 7.4618 9.5170 9.5170 10.3772 10.3772 10.4705 10.4705 12.3920 12.3920 13.7861 13.7861 k = 0.5328 0.3265-0.0109 ( 3662 PWs) bands (ev): -18.1809 -18.1809 -18.1462 -18.1462 -12.6780 -12.6780 -12.6236 -12.6236 -5.2433 -5.2433 -4.9754 -4.9754 -3.6001 -3.6001 -3.4534 -3.4534 -3.2104 -3.2104 -2.9382 -2.9382 -0.5029 -0.5029 -0.3637 -0.3637 2.6002 2.6002 2.8174 2.8174 2.8843 2.8843 3.2634 3.2634 3.5615 3.5615 3.9032 3.9032 7.4947 7.4947 9.4577 9.4577 10.3627 10.3627 10.4668 10.4668 12.4507 12.4507 13.7924 13.7924 k = 0.5328 0.3265-0.0109 ( 3662 PWs) bands (ev): -18.1809 -18.1809 -18.1462 -18.1462 -12.6780 -12.6780 -12.6236 -12.6236 -5.2433 -5.2433 -4.9754 -4.9754 -3.6001 -3.6001 -3.4534 -3.4534 -3.2104 -3.2104 -2.9382 -2.9382 -0.5029 -0.5029 -0.3637 -0.3637 2.6002 2.6002 2.8174 2.8174 2.8843 2.8843 3.2634 3.2634 3.5615 3.5615 3.9032 3.9032 7.4947 7.4947 9.4577 9.4577 10.3627 10.3627 10.4668 10.4668 12.4507 12.4507 13.7924 13.7924 k = 0.5301 0.3248 0.0021 ( 3662 PWs) bands (ev): -18.1794 -18.1794 -18.1474 -18.1474 -12.6764 -12.6764 -12.6254 -12.6254 -5.2345 -5.2345 -4.9852 -4.9852 -3.5861 -3.5861 -3.4436 -3.4436 -3.2243 -3.2243 -2.9623 -2.9623 -0.4894 -0.4894 -0.3590 -0.3590 2.6262 2.6262 2.8007 2.8007 2.8583 2.8583 3.2451 3.2451 3.5906 3.5906 3.9074 3.9074 7.5394 7.5394 9.3695 9.3695 10.3648 10.3648 10.4675 10.4675 12.5120 12.5120 13.8153 13.8153 k = 0.5273 0.3231 0.0151 ( 3666 PWs) bands (ev): -18.1779 -18.1779 -18.1486 -18.1486 -12.6747 -12.6747 -12.6274 -12.6274 -5.2253 -5.2253 -4.9955 -4.9955 -3.5714 -3.5714 -3.4329 -3.4329 -3.2387 -3.2387 -2.9872 -2.9872 -0.4755 -0.4755 -0.3547 -0.3547 2.6523 2.6523 2.7840 2.7840 2.8339 2.8339 3.2245 3.2245 3.6204 3.6204 3.9108 3.9108 7.5889 7.5889 9.2771 9.2771 10.3683 10.3683 10.4675 10.4675 12.5751 12.5751 13.8216 13.8216 k = 0.5246 0.3215 0.0281 ( 3670 PWs) bands (ev): -18.1764 -18.1764 -18.1499 -18.1499 -12.6728 -12.6728 -12.6294 -12.6294 -5.2155 -5.2155 -5.0062 -5.0062 -3.5562 -3.5562 -3.4212 -3.4212 -3.2533 -3.2533 -3.0127 -3.0127 -0.4614 -0.4614 -0.3507 -0.3507 2.6779 2.6779 2.7680 2.7680 2.8118 2.8118 3.2021 3.2021 3.6501 3.6501 3.9132 3.9132 7.6430 7.6430 9.1816 9.1816 10.3728 10.3728 10.4668 10.4668 12.6396 12.6396 13.8030 13.8030 k = 0.5219 0.3198 0.0410 ( 3664 PWs) bands (ev): -18.1749 -18.1749 -18.1512 -18.1512 -12.6708 -12.6708 -12.6315 -12.6315 -5.2053 -5.2053 -5.0172 -5.0172 -3.5405 -3.5405 -3.4086 -3.4086 -3.2679 -3.2679 -3.0388 -3.0388 -0.4474 -0.4474 -0.3474 -0.3474 2.7008 2.7008 2.7544 2.7544 2.7932 2.7932 3.1783 3.1783 3.6794 3.6794 3.9144 3.9144 7.7015 7.7015 9.0842 9.0842 10.3783 10.3783 10.4654 10.4654 12.7055 12.7055 13.7695 13.7695 k = 0.5191 0.3181 0.0540 ( 3661 PWs) bands (ev): -18.1734 -18.1734 -18.1525 -18.1525 -12.6686 -12.6686 -12.6338 -12.6338 -5.1947 -5.1947 -5.0286 -5.0286 -3.5244 -3.5244 -3.3953 -3.3953 -3.2823 -3.2823 -3.0651 -3.0651 -0.4336 -0.4336 -0.3449 -0.3449 2.7136 2.7136 2.7460 2.7460 2.7830 2.7830 3.1534 3.1534 3.7077 3.7077 3.9142 3.9142 7.7645 7.7645 8.9856 8.9856 10.3843 10.3843 10.4633 10.4633 12.7725 12.7725 13.7262 13.7262 k = 0.5164 0.3164 0.0670 ( 3664 PWs) bands (ev): -18.1718 -18.1718 -18.1539 -18.1539 -12.6664 -12.6664 -12.6362 -12.6362 -5.1837 -5.1837 -5.0402 -5.0402 -3.5081 -3.5081 -3.3820 -3.3820 -3.2956 -3.2956 -3.0916 -3.0916 -0.4203 -0.4203 -0.3433 -0.3433 2.7107 2.7107 2.7381 2.7381 2.7917 2.7917 3.1274 3.1274 3.7347 3.7347 3.9123 3.9123 7.8316 7.8316 8.8865 8.8865 10.3908 10.3908 10.4605 10.4605 12.8406 12.8406 13.6747 13.6747 k = 0.5137 0.3148 0.0800 ( 3663 PWs) bands (ev): -18.1703 -18.1703 -18.1553 -18.1553 -12.6640 -12.6640 -12.6386 -12.6386 -5.1725 -5.1725 -5.0520 -5.0520 -3.4916 -3.4916 -3.3704 -3.3704 -3.3061 -3.3061 -3.1180 -3.1180 -0.4076 -0.4076 -0.3428 -0.3428 2.7024 2.7024 2.7261 2.7261 2.8143 2.8143 3.1005 3.1005 3.7602 3.7602 3.9086 3.9086 7.9028 7.9028 8.7875 8.7875 10.3976 10.3976 10.4571 10.4571 12.9098 12.9098 13.6163 13.6163 k = 0.5109 0.3131 0.0930 ( 3655 PWs) bands (ev): -18.1687 -18.1687 -18.1567 -18.1567 -12.6616 -12.6616 -12.6411 -12.6411 -5.1609 -5.1609 -5.0640 -5.0640 -3.4751 -3.4751 -3.3650 -3.3650 -3.3091 -3.3091 -3.1443 -3.1443 -0.3957 -0.3957 -0.3435 -0.3435 2.6944 2.6944 2.7140 2.7140 2.8413 2.8413 3.0730 3.0730 3.7841 3.7841 3.9031 3.9031 7.9779 7.9779 8.6893 8.6893 10.4045 10.4045 10.4530 10.4530 12.9800 12.9800 13.5524 13.5524 k = 0.5082 0.3114 0.1059 ( 3654 PWs) bands (ev): -18.1672 -18.1672 -18.1581 -18.1581 -12.6591 -12.6591 -12.6436 -12.6436 -5.1492 -5.1492 -5.0761 -5.0761 -3.4587 -3.4587 -3.3696 -3.3696 -3.3010 -3.3010 -3.1701 -3.1701 -0.3848 -0.3848 -0.3454 -0.3454 2.6883 2.6883 2.7033 2.7033 2.8699 2.8699 3.0449 3.0449 3.8061 3.8061 3.8955 3.8955 8.0566 8.0566 8.5923 8.5923 10.4115 10.4115 10.4484 10.4484 13.0512 13.0512 13.4844 13.4844 k = 0.5055 0.3097 0.1189 ( 3656 PWs) bands (ev): -18.1656 -18.1656 -18.1596 -18.1596 -12.6566 -12.6566 -12.6462 -12.6462 -5.1372 -5.1372 -5.0884 -5.0884 -3.4423 -3.4423 -3.3809 -3.3809 -3.2850 -3.2850 -3.1954 -3.1954 -0.3750 -0.3750 -0.3486 -0.3486 2.6845 2.6845 2.6946 2.6946 2.8991 2.8991 3.0162 3.0162 3.8262 3.8262 3.8859 3.8859 8.1388 8.1388 8.4969 8.4969 10.4183 10.4183 10.4432 10.4432 13.1232 13.1232 13.4138 13.4138 k = 0.5027 0.3081 0.1319 ( 3648 PWs) bands (ev): -18.1641 -18.1641 -18.1611 -18.1611 -12.6540 -12.6540 -12.6488 -12.6488 -5.1251 -5.1251 -5.1006 -5.1006 -3.4261 -3.4261 -3.3950 -3.3950 -3.2652 -3.2652 -3.2198 -3.2198 -0.3664 -0.3664 -0.3532 -0.3532 2.6832 2.6832 2.6883 2.6883 2.9285 2.9285 2.9872 2.9872 3.8443 3.8443 3.8742 3.8742 8.2242 8.2242 8.4035 8.4035 10.4250 10.4250 10.4375 10.4375 13.1958 13.1958 13.3417 13.3417 k = 0.5000 0.3064 0.1449 ( 3636 PWs) bands (ev): -18.1626 -18.1626 -18.1626 -18.1626 -12.6515 -12.6515 -12.6513 -12.6513 -5.1129 -5.1129 -5.1129 -5.1129 -3.4103 -3.4103 -3.4103 -3.4103 -3.2433 -3.2433 -3.2432 -3.2432 -0.3592 -0.3592 -0.3591 -0.3591 2.6845 2.6845 2.6846 2.6846 2.9579 2.9579 2.9581 2.9581 3.8603 3.8603 3.8604 3.8604 8.3125 8.3125 8.3126 8.3126 10.4314 10.4314 10.4316 10.4316 13.2688 13.2688 13.2688 13.2688 k = 0.5000 0.3064 0.1449 ( 3636 PWs) bands (ev): -18.1626 -18.1626 -18.1626 -18.1626 -12.6515 -12.6515 -12.6513 -12.6513 -5.1129 -5.1129 -5.1129 -5.1129 -3.4103 -3.4103 -3.4103 -3.4103 -3.2433 -3.2433 -3.2432 -3.2432 -0.3592 -0.3592 -0.3591 -0.3591 2.6845 2.6845 2.6846 2.6846 2.9579 2.9579 2.9581 2.9581 3.8603 3.8603 3.8604 3.8604 8.3125 8.3125 8.3126 8.3126 10.4314 10.4314 10.4316 10.4316 13.2688 13.2688 13.2688 13.2688 k = 0.5067 0.2954 0.1449 ( 3646 PWs) bands (ev): -18.1626 -18.1626 -18.1626 -18.1626 -12.6515 -12.6515 -12.6513 -12.6513 -5.1146 -5.1146 -5.1116 -5.1116 -3.4179 -3.4179 -3.4059 -3.4059 -3.2457 -3.2457 -3.2374 -3.2374 -0.3600 -0.3600 -0.3589 -0.3589 2.6854 2.6854 2.6864 2.6864 2.9571 2.9571 2.9588 2.9588 3.8592 3.8592 3.8593 3.8593 8.3148 8.3148 8.3149 8.3149 10.4291 10.4291 10.4295 10.4295 13.2667 13.2667 13.2680 13.2680 k = 0.5135 0.2844 0.1449 ( 3650 PWs) bands (ev): -18.1626 -18.1626 -18.1626 -18.1626 -12.6515 -12.6515 -12.6513 -12.6513 -5.1166 -5.1166 -5.1106 -5.1106 -3.4280 -3.4280 -3.4054 -3.4054 -3.2444 -3.2444 -3.2291 -3.2291 -0.3614 -0.3614 -0.3593 -0.3593 2.6891 2.6891 2.6911 2.6911 2.9562 2.9562 2.9597 2.9597 3.8562 3.8562 3.8563 3.8563 8.3218 8.3218 8.3219 8.3219 10.4225 10.4225 10.4233 10.4233 13.2619 13.2619 13.2643 13.2643 k = 0.5202 0.2734 0.1449 ( 3658 PWs) bands (ev): -18.1625 -18.1625 -18.1625 -18.1625 -12.6515 -12.6515 -12.6513 -12.6513 -5.1189 -5.1189 -5.1101 -5.1101 -3.4398 -3.4398 -3.4086 -3.4086 -3.2392 -3.2392 -3.2191 -3.2191 -0.3633 -0.3633 -0.3603 -0.3603 2.6955 2.6955 2.6985 2.6985 2.9553 2.9553 2.9605 2.9605 3.8512 3.8512 3.8513 3.8513 8.3333 8.3333 8.3335 8.3335 10.4117 10.4117 10.4129 10.4129 13.2544 13.2544 13.2580 13.2580 k = 0.5269 0.2624 0.1449 ( 3662 PWs) bands (ev): -18.1624 -18.1624 -18.1624 -18.1624 -12.6515 -12.6515 -12.6512 -12.6512 -5.1216 -5.1216 -5.1098 -5.1098 -3.4526 -3.4526 -3.4149 -3.4149 -3.2308 -3.2308 -3.2080 -3.2080 -0.3656 -0.3656 -0.3618 -0.3618 2.7044 2.7044 2.7084 2.7084 2.9545 2.9545 2.9614 2.9614 3.8443 3.8443 3.8445 3.8445 8.3495 8.3495 8.3497 8.3497 10.3968 10.3968 10.3984 10.3984 13.2444 13.2444 13.2492 13.2492 k = 0.5337 0.2514 0.1449 ( 3662 PWs) bands (ev): -18.1623 -18.1623 -18.1623 -18.1623 -12.6515 -12.6515 -12.6512 -12.6512 -5.1245 -5.1245 -5.1100 -5.1100 -3.4658 -3.4658 -3.4236 -3.4236 -3.2201 -3.2201 -3.1965 -3.1965 -0.3683 -0.3683 -0.3637 -0.3637 2.7158 2.7158 2.7206 2.7206 2.9539 2.9539 2.9623 2.9623 3.8356 3.8356 3.8359 3.8359 8.3703 8.3703 8.3705 8.3705 10.3778 10.3778 10.3798 10.3798 13.2324 13.2324 13.2383 13.2383 k = 0.5404 0.2405 0.1449 ( 3662 PWs) bands (ev): -18.1622 -18.1622 -18.1622 -18.1622 -12.6515 -12.6515 -12.6512 -12.6512 -5.1277 -5.1277 -5.1104 -5.1104 -3.4791 -3.4791 -3.4338 -3.4338 -3.2078 -3.2078 -3.1848 -3.1848 -0.3711 -0.3711 -0.3660 -0.3660 2.7292 2.7292 2.7348 2.7348 2.9533 2.9533 2.9633 2.9633 3.8253 3.8253 3.8259 3.8259 8.3955 8.3955 8.3958 8.3958 10.3551 10.3551 10.3573 10.3573 13.2187 13.2187 13.2256 13.2256 k = 0.5471 0.2295 0.1449 ( 3662 PWs) bands (ev): -18.1621 -18.1621 -18.1621 -18.1621 -12.6515 -12.6515 -12.6511 -12.6511 -5.1312 -5.1312 -5.1112 -5.1112 -3.4923 -3.4923 -3.4450 -3.4450 -3.1946 -3.1946 -3.1734 -3.1734 -0.3740 -0.3740 -0.3685 -0.3685 2.7443 2.7443 2.7506 2.7506 2.9531 2.9531 2.9643 2.9643 3.8136 3.8136 3.8144 3.8144 8.4252 8.4252 8.4255 8.4255 10.3287 10.3287 10.3312 10.3312 13.2035 13.2035 13.2114 13.2114 k = 0.5539 0.2185 0.1449 ( 3654 PWs) bands (ev): -18.1620 -18.1620 -18.1620 -18.1620 -12.6515 -12.6515 -12.6510 -12.6510 -5.1348 -5.1348 -5.1122 -5.1122 -3.5050 -3.5050 -3.4567 -3.4567 -3.1810 -3.1810 -3.1625 -3.1625 -0.3768 -0.3768 -0.3711 -0.3711 2.7605 2.7605 2.7677 2.7677 2.9534 2.9534 2.9656 2.9656 3.8006 3.8006 3.8019 3.8019 8.4592 8.4592 8.4595 8.4595 10.2988 10.2988 10.3016 10.3016 13.1872 13.1872 13.1961 13.1961 k = 0.5606 0.2075 0.1449 ( 3652 PWs) bands (ev): -18.1619 -18.1619 -18.1619 -18.1619 -12.6515 -12.6515 -12.6510 -12.6510 -5.1386 -5.1386 -5.1135 -5.1135 -3.5172 -3.5172 -3.4686 -3.4686 -3.1673 -3.1673 -3.1522 -3.1522 -0.3793 -0.3793 -0.3736 -0.3736 2.7774 2.7774 2.7854 2.7854 2.9543 2.9543 2.9671 2.9671 3.7866 3.7866 3.7886 3.7886 8.4974 8.4974 8.4978 8.4978 10.2657 10.2657 10.2686 10.2686 13.1702 13.1702 13.1799 13.1799 k = 0.5673 0.1965 0.1449 ( 3650 PWs) bands (ev): -18.1618 -18.1618 -18.1618 -18.1618 -12.6515 -12.6515 -12.6509 -12.6509 -5.1425 -5.1425 -5.1150 -5.1150 -3.5288 -3.5288 -3.4803 -3.4803 -3.1538 -3.1538 -3.1427 -3.1427 -0.3813 -0.3813 -0.3759 -0.3759 2.7941 2.7941 2.8034 2.8034 2.9563 2.9563 2.9689 2.9689 3.7720 3.7720 3.7747 3.7747 8.5397 8.5397 8.5401 8.5401 10.2295 10.2295 10.2327 10.2327 13.1527 13.1527 13.1631 13.1631 k = 0.5741 0.1855 0.1449 ( 3646 PWs) bands (ev): -18.1617 -18.1617 -18.1617 -18.1617 -12.6514 -12.6514 -12.6508 -12.6508 -5.1465 -5.1465 -5.1167 -5.1167 -3.5395 -3.5395 -3.4918 -3.4918 -3.1407 -3.1407 -3.1341 -3.1341 -0.3828 -0.3828 -0.3779 -0.3779 2.8097 2.8097 2.8210 2.8210 2.9597 2.9597 2.9711 2.9711 3.7569 3.7569 3.7608 3.7608 8.5860 8.5860 8.5865 8.5865 10.1907 10.1907 10.1939 10.1939 13.1348 13.1348 13.1460 13.1460 k = 0.5808 0.1745 0.1449 ( 3644 PWs) bands (ev): -18.1616 -18.1616 -18.1616 -18.1616 -12.6514 -12.6514 -12.6507 -12.6507 -5.1506 -5.1506 -5.1186 -5.1186 -3.5494 -3.5494 -3.5029 -3.5029 -3.1282 -3.1282 -3.1265 -3.1265 -0.3836 -0.3836 -0.3794 -0.3794 2.8234 2.8234 2.8376 2.8376 2.9650 2.9650 2.9737 2.9737 3.7420 3.7420 3.7473 3.7473 8.6360 8.6360 8.6367 8.6367 10.1493 10.1493 10.1526 10.1526 13.1169 13.1169 13.1287 13.1287 k = 0.5875 0.1635 0.1449 ( 3646 PWs) bands (ev): -18.1615 -18.1615 -18.1615 -18.1615 -12.6513 -12.6513 -12.6506 -12.6506 -5.1546 -5.1546 -5.1206 -5.1206 -3.5584 -3.5584 -3.5134 -3.5134 -3.1200 -3.1200 -3.1163 -3.1163 -0.3836 -0.3836 -0.3803 -0.3803 2.8342 2.8342 2.8525 2.8525 2.9724 2.9724 2.9768 2.9768 3.7275 3.7275 3.7347 3.7347 8.6898 8.6898 8.6905 8.6905 10.1057 10.1057 10.1090 10.1090 13.0991 13.0991 13.1114 13.1114 k = 0.5943 0.1525 0.1449 ( 3646 PWs) bands (ev): -18.1615 -18.1615 -18.1615 -18.1615 -12.6513 -12.6513 -12.6505 -12.6505 -5.1586 -5.1586 -5.1226 -5.1226 -3.5664 -3.5664 -3.5234 -3.5234 -3.1146 -3.1146 -3.1052 -3.1052 -0.3826 -0.3826 -0.3805 -0.3805 2.8418 2.8418 2.8652 2.8652 2.9802 2.9802 2.9818 2.9818 3.7140 3.7140 3.7234 3.7234 8.7469 8.7469 8.7478 8.7478 10.0603 10.0603 10.0636 10.0636 13.0815 13.0815 13.0942 13.0942 k = 0.6010 0.1416 0.1449 ( 3646 PWs) bands (ev): -18.1614 -18.1614 -18.1614 -18.1614 -12.6512 -12.6512 -12.6504 -12.6504 -5.1625 -5.1625 -5.1247 -5.1247 -3.5734 -3.5734 -3.5328 -3.5328 -3.1103 -3.1103 -3.0949 -3.0949 -0.3806 -0.3806 -0.3798 -0.3798 2.8460 2.8460 2.8755 2.8755 2.9836 2.9836 2.9927 2.9927 3.7020 3.7020 3.7141 3.7141 8.8073 8.8073 8.8083 8.8083 10.0133 10.0133 10.0165 10.0165 13.0642 13.0642 13.0772 13.0772 k = 0.6077 0.1306 0.1449 ( 3642 PWs) bands (ev): -18.1615 -18.1615 -18.1615 -18.1615 -12.6510 -12.6510 -12.6502 -12.6502 -5.1662 -5.1662 -5.1267 -5.1267 -3.5794 -3.5794 -3.5415 -3.5415 -3.1072 -3.1072 -3.0854 -3.0854 -0.3783 -0.3783 -0.3774 -0.3774 2.8473 2.8473 2.8833 2.8833 2.9864 2.9864 3.0041 3.0041 3.6920 3.6920 3.7072 3.7072 8.8707 8.8707 8.8718 8.8718 9.9650 9.9650 9.9680 9.9680 13.0473 13.0473 13.0606 13.0606 k = 0.6145 0.1196 0.1449 ( 3642 PWs) bands (ev): -18.1615 -18.1615 -18.1615 -18.1615 -12.6509 -12.6509 -12.6500 -12.6500 -5.1697 -5.1697 -5.1286 -5.1286 -3.5844 -3.5844 -3.5495 -3.5495 -3.1052 -3.1052 -3.0768 -3.0768 -0.3758 -0.3758 -0.3732 -0.3732 2.8460 2.8460 2.8887 2.8887 2.9881 2.9881 3.0150 3.0150 3.6843 3.6843 3.7030 3.7030 8.9367 8.9367 8.9381 8.9381 9.9158 9.9158 9.9186 9.9186 13.0308 13.0308 13.0442 13.0442 k = 0.6212 0.1086 0.1449 ( 3640 PWs) bands (ev): -18.1617 -18.1617 -18.1617 -18.1617 -12.6507 -12.6507 -12.6498 -12.6498 -5.1730 -5.1730 -5.1304 -5.1304 -3.5883 -3.5883 -3.5568 -3.5568 -3.1043 -3.1043 -3.0690 -3.0690 -0.3723 -0.3723 -0.3678 -0.3678 2.8426 2.8426 2.8918 2.8918 2.9881 2.9881 3.0245 3.0245 3.6796 3.6796 3.7021 3.7021 9.0050 9.0050 9.0067 9.0067 9.8661 9.8661 9.8685 9.8685 13.0148 13.0148 13.0283 13.0283 k = 0.6279 0.0976 0.1449 ( 3642 PWs) bands (ev): -18.1618 -18.1618 -18.1618 -18.1618 -12.6505 -12.6505 -12.6496 -12.6496 -5.1759 -5.1759 -5.1320 -5.1320 -3.5912 -3.5912 -3.5634 -3.5634 -3.1044 -3.1044 -3.0620 -3.0620 -0.3679 -0.3679 -0.3613 -0.3613 2.8373 2.8373 2.8930 2.8930 2.9859 2.9859 3.0319 3.0319 3.6779 3.6779 3.7043 3.7043 9.0752 9.0752 9.0773 9.0773 9.8162 9.8162 9.8182 9.8182 12.9992 12.9992 13.0127 13.0127 k = 0.6347 0.0866 0.1449 ( 3636 PWs) bands (ev): -18.1621 -18.1621 -18.1621 -18.1621 -12.6503 -12.6503 -12.6494 -12.6494 -5.1786 -5.1786 -5.1333 -5.1333 -3.5931 -3.5931 -3.5691 -3.5691 -3.1055 -3.1055 -3.0557 -3.0557 -0.3624 -0.3624 -0.3537 -0.3537 2.8305 2.8305 2.8922 2.8922 2.9815 2.9815 3.0369 3.0369 3.6795 3.6795 3.7098 3.7098 9.1466 9.1466 9.1492 9.1492 9.7668 9.7668 9.7683 9.7683 12.9840 12.9840 12.9976 12.9976 k = 0.6414 0.0756 0.1449 ( 3638 PWs) bands (ev): -18.1624 -18.1624 -18.1624 -18.1624 -12.6501 -12.6501 -12.6491 -12.6491 -5.1808 -5.1808 -5.1344 -5.1344 -3.5940 -3.5940 -3.5742 -3.5742 -3.1075 -3.1075 -3.0502 -3.0502 -0.3561 -0.3561 -0.3450 -0.3450 2.8222 2.8222 2.8893 2.8893 2.9752 2.9752 3.0393 3.0393 3.6841 3.6841 3.7181 3.7181 9.2182 9.2182 9.2216 9.2216 9.7189 9.7189 9.7195 9.7195 12.9692 12.9692 12.9827 12.9827 k = 0.6481 0.0646 0.1449 ( 3636 PWs) bands (ev): -18.1628 -18.1628 -18.1628 -18.1628 -12.6498 -12.6498 -12.6488 -12.6488 -5.1826 -5.1826 -5.1352 -5.1352 -3.5939 -3.5939 -3.5784 -3.5784 -3.1102 -3.1102 -3.0454 -3.0454 -0.3489 -0.3489 -0.3355 -0.3355 2.8126 2.8126 2.8842 2.8842 2.9677 2.9677 3.0394 3.0394 3.6916 3.6916 3.7289 3.7289 9.2882 9.2882 9.2929 9.2929 9.6733 9.6733 9.6741 9.6741 12.9548 12.9548 12.9681 12.9681 k = 0.6549 0.0536 0.1449 ( 3636 PWs) bands (ev): -18.1633 -18.1633 -18.1633 -18.1633 -12.6495 -12.6495 -12.6484 -12.6484 -5.1840 -5.1840 -5.1356 -5.1356 -3.5927 -3.5927 -3.5819 -3.5819 -3.1136 -3.1136 -3.0411 -3.0411 -0.3410 -0.3410 -0.3251 -0.3251 2.8017 2.8017 2.8763 2.8763 2.9598 2.9598 3.0372 3.0372 3.7015 3.7015 3.7417 3.7417 9.3523 9.3523 9.3591 9.3591 9.6335 9.6335 9.6365 9.6365 12.9405 12.9405 12.9537 12.9537 k = 0.6616 0.0427 0.1449 ( 3640 PWs) bands (ev): -18.1639 -18.1639 -18.1638 -18.1638 -12.6491 -12.6491 -12.6480 -12.6480 -5.1849 -5.1849 -5.1356 -5.1356 -3.5907 -3.5907 -3.5846 -3.5846 -3.1176 -3.1176 -3.0374 -3.0374 -0.3324 -0.3324 -0.3140 -0.3140 2.7897 2.7897 2.8655 2.8655 2.9524 2.9524 3.0334 3.0334 3.7132 3.7132 3.7559 3.7559 9.3999 9.3999 9.4099 9.4099 9.6103 9.6103 9.6166 9.6166 12.9265 12.9265 12.9394 12.9394 k = 0.6683 0.0317 0.1449 ( 3640 PWs) bands (ev): -18.1645 -18.1645 -18.1645 -18.1645 -12.6487 -12.6487 -12.6476 -12.6476 -5.1852 -5.1852 -5.1351 -5.1351 -3.5877 -3.5877 -3.5865 -3.5865 -3.1221 -3.1221 -3.0341 -3.0341 -0.3232 -0.3232 -0.3024 -0.3024 2.7767 2.7767 2.8517 2.8517 2.9458 2.9458 3.0283 3.0283 3.7261 3.7261 3.7710 3.7710 9.4136 9.4136 9.4249 9.4249 9.6239 9.6239 9.6315 9.6315 12.9125 12.9125 12.9252 12.9252 k = 0.6751 0.0207 0.1449 ( 3646 PWs) bands (ev): -18.1653 -18.1653 -18.1653 -18.1653 -12.6483 -12.6483 -12.6471 -12.6471 -5.1851 -5.1851 -5.1342 -5.1342 -3.5876 -3.5876 -3.5838 -3.5838 -3.1268 -3.1268 -3.0311 -3.0311 -0.3137 -0.3137 -0.2904 -0.2904 2.7629 2.7629 2.8355 2.8355 2.9404 2.9404 3.0223 3.0223 3.7397 3.7397 3.7863 3.7863 9.3942 9.3942 9.4039 9.4039 9.6739 9.6739 9.6801 9.6801 12.8985 12.8985 12.9110 12.9110 k = 0.3249-0.5303 0.3007 ( 3646 PWs) bands (ev): -18.1653 -18.1653 -18.1653 -18.1653 -12.6483 -12.6483 -12.6471 -12.6471 -5.1851 -5.1851 -5.1342 -5.1342 -3.5876 -3.5876 -3.5838 -3.5838 -3.1268 -3.1268 -3.0311 -3.0311 -0.3137 -0.3137 -0.2904 -0.2904 2.7629 2.7629 2.8355 2.8355 2.9404 2.9404 3.0223 3.0223 3.7397 3.7397 3.7863 3.7863 9.3942 9.3942 9.4039 9.4039 9.6739 9.6739 9.6801 9.6801 12.8985 12.8985 12.9110 12.9110 k = 0.3180-0.5190 0.3007 ( 3656 PWs) bands (ev): -18.1662 -18.1662 -18.1662 -18.1662 -12.6478 -12.6478 -12.6466 -12.6466 -5.1843 -5.1843 -5.1327 -5.1327 -3.5879 -3.5879 -3.5789 -3.5789 -3.1319 -3.1319 -3.0283 -3.0283 -0.3037 -0.3037 -0.2779 -0.2779 2.7481 2.7481 2.8169 2.8169 2.9358 2.9358 3.0155 3.0155 3.7537 3.7537 3.8017 3.8017 9.3581 9.3581 9.3663 9.3663 9.7417 9.7417 9.7465 9.7465 12.8841 12.8841 12.8963 12.8963 k = 0.3111-0.5077 0.3007 ( 3656 PWs) bands (ev): -18.1672 -18.1672 -18.1672 -18.1672 -12.6472 -12.6472 -12.6460 -12.6460 -5.1829 -5.1829 -5.1307 -5.1307 -3.5873 -3.5873 -3.5730 -3.5730 -3.1371 -3.1371 -3.0257 -3.0257 -0.2937 -0.2937 -0.2654 -0.2654 2.7329 2.7329 2.7971 2.7971 2.9321 2.9321 3.0086 3.0086 3.7673 3.7673 3.8164 3.8164 9.3165 9.3165 9.3235 9.3235 9.8146 9.8146 9.8183 9.8183 12.8695 12.8695 12.8816 12.8816 k = 0.3042-0.4964 0.3007 ( 3658 PWs) bands (ev): -18.1683 -18.1683 -18.1683 -18.1683 -12.6466 -12.6466 -12.6454 -12.6454 -5.1810 -5.1810 -5.1282 -5.1282 -3.5859 -3.5859 -3.5663 -3.5663 -3.1422 -3.1422 -3.0232 -3.0232 -0.2837 -0.2837 -0.2530 -0.2530 2.7178 2.7178 2.7770 2.7770 2.9289 2.9289 3.0016 3.0016 3.7798 3.7798 3.8299 3.8299 9.2731 9.2731 9.2794 9.2794 9.8882 9.8882 9.8912 9.8912 12.8549 12.8549 12.8668 12.8668 k = 0.2973-0.4851 0.3007 ( 3658 PWs) bands (ev): -18.1696 -18.1696 -18.1696 -18.1696 -12.6459 -12.6459 -12.6447 -12.6447 -5.1783 -5.1783 -5.1251 -5.1251 -3.5836 -3.5836 -3.5587 -3.5587 -3.1471 -3.1471 -3.0207 -3.0207 -0.2741 -0.2741 -0.2411 -0.2411 2.7030 2.7030 2.7570 2.7570 2.9261 2.9261 2.9948 2.9948 3.7910 3.7910 3.8417 3.8417 9.2298 9.2298 9.2356 9.2356 9.9605 9.9605 9.9630 9.9630 12.8401 12.8401 12.8519 12.8519 k = 0.2904-0.4738 0.3007 ( 3666 PWs) bands (ev): -18.1710 -18.1710 -18.1710 -18.1710 -12.6452 -12.6452 -12.6440 -12.6440 -5.1751 -5.1751 -5.1214 -5.1214 -3.5803 -3.5803 -3.5503 -3.5503 -3.1516 -3.1516 -3.0181 -3.0181 -0.2650 -0.2650 -0.2298 -0.2298 2.6887 2.6887 2.7377 2.7377 2.9235 2.9235 2.9882 2.9882 3.8004 3.8004 3.8516 3.8516 9.1873 9.1873 9.1926 9.1926 10.0300 10.0300 10.0322 10.0322 12.8254 12.8254 12.8372 12.8372 k = 0.2834-0.4626 0.3007 ( 3666 PWs) bands (ev): -18.1725 -18.1725 -18.1725 -18.1725 -12.6444 -12.6444 -12.6432 -12.6432 -5.1713 -5.1713 -5.1171 -5.1171 -3.5762 -3.5762 -3.5411 -3.5411 -3.1558 -3.1558 -3.0154 -3.0154 -0.2567 -0.2567 -0.2193 -0.2193 2.6754 2.6754 2.7195 2.7195 2.9211 2.9211 2.9818 2.9818 3.8077 3.8077 3.8593 3.8593 9.1462 9.1462 9.1511 9.1511 10.0959 10.0959 10.0977 10.0977 12.8109 12.8109 12.8227 12.8227 k = 0.2765-0.4513 0.3007 ( 3666 PWs) bands (ev): -18.1741 -18.1741 -18.1741 -18.1741 -12.6436 -12.6436 -12.6424 -12.6424 -5.1668 -5.1668 -5.1123 -5.1123 -3.5711 -3.5711 -3.5312 -3.5312 -3.1594 -3.1594 -3.0125 -3.0125 -0.2492 -0.2492 -0.2099 -0.2099 2.6634 2.6634 2.7028 2.7028 2.9189 2.9189 2.9757 2.9757 3.8127 3.8127 3.8646 3.8646 9.1066 9.1066 9.1112 9.1112 10.1571 10.1571 10.1587 10.1587 12.7969 12.7969 12.8088 12.8088 k = 0.2696-0.4400 0.3007 ( 3670 PWs) bands (ev): -18.1759 -18.1759 -18.1758 -18.1758 -12.6427 -12.6427 -12.6415 -12.6415 -5.1617 -5.1617 -5.1069 -5.1069 -3.5650 -3.5650 -3.5204 -3.5204 -3.1623 -3.1623 -3.0094 -3.0094 -0.2428 -0.2428 -0.2017 -0.2017 2.6529 2.6529 2.6879 2.6879 2.9168 2.9168 2.9699 2.9699 3.8151 3.8151 3.8672 3.8672 9.0688 9.0688 9.0732 9.0732 10.2127 10.2127 10.2142 10.2142 12.7836 12.7836 12.7957 12.7957 k = 0.2627-0.4287 0.3007 ( 3674 PWs) bands (ev): -18.1777 -18.1777 -18.1777 -18.1777 -12.6418 -12.6418 -12.6405 -12.6405 -5.1561 -5.1561 -5.1010 -5.1010 -3.5579 -3.5579 -3.5090 -3.5090 -3.1645 -3.1645 -3.0060 -3.0060 -0.2376 -0.2376 -0.1949 -0.1949 2.6442 2.6442 2.6750 2.6750 2.9148 2.9148 2.9644 2.9644 3.8148 3.8148 3.8670 3.8670 9.0330 9.0330 9.0372 9.0372 10.2620 10.2620 10.2634 10.2634 12.7714 12.7714 12.7837 12.7837 k = 0.2558-0.4174 0.3007 ( 3674 PWs) bands (ev): -18.1797 -18.1797 -18.1797 -18.1797 -12.6408 -12.6408 -12.6395 -12.6395 -5.1498 -5.1498 -5.0945 -5.0945 -3.5497 -3.5497 -3.4969 -3.4969 -3.1659 -3.1659 -3.0022 -3.0022 -0.2338 -0.2338 -0.1896 -0.1896 2.6374 2.6374 2.6643 2.6643 2.9129 2.9129 2.9592 2.9592 3.8117 3.8117 3.8639 3.8639 8.9993 8.9993 9.0034 9.0034 10.3042 10.3042 10.3055 10.3055 12.7607 12.7607 12.7733 12.7733 k = 0.2489-0.4062 0.3007 ( 3670 PWs) bands (ev): -18.1818 -18.1818 -18.1818 -18.1818 -12.6398 -12.6398 -12.6385 -12.6385 -5.1431 -5.1431 -5.0876 -5.0876 -3.5406 -3.5406 -3.4841 -3.4841 -3.1663 -3.1663 -2.9982 -2.9982 -0.2315 -0.2315 -0.1861 -0.1861 2.6327 2.6327 2.6560 2.6560 2.9110 2.9110 2.9542 2.9542 3.8058 3.8058 3.8580 3.8580 8.9679 8.9679 8.9718 8.9718 10.3387 10.3387 10.3400 10.3400 12.7516 12.7516 12.7645 12.7645 k = 0.2420-0.3949 0.3007 ( 3672 PWs) bands (ev): -18.1841 -18.1841 -18.1841 -18.1841 -12.6387 -12.6387 -12.6374 -12.6374 -5.1358 -5.1358 -5.0802 -5.0802 -3.5303 -3.5303 -3.4707 -3.4707 -3.1657 -3.1657 -2.9938 -2.9938 -0.2308 -0.2308 -0.1843 -0.1843 2.6303 2.6303 2.6501 2.6501 2.9092 2.9092 2.9494 2.9494 3.7970 3.7970 3.8491 3.8491 8.9387 8.9387 8.9426 8.9426 10.3649 10.3649 10.3663 10.3663 12.7443 12.7443 12.7575 12.7575 k = 0.2351-0.3836 0.3007 ( 3678 PWs) bands (ev): -18.1864 -18.1864 -18.1864 -18.1864 -12.6375 -12.6375 -12.6363 -12.6363 -5.1280 -5.1280 -5.0723 -5.0723 -3.5190 -3.5190 -3.4568 -3.4568 -3.1641 -3.1641 -2.9890 -2.9890 -0.2317 -0.2317 -0.1845 -0.1845 2.6301 2.6301 2.6468 2.6468 2.9075 2.9075 2.9448 2.9448 3.7853 3.7853 3.8373 3.8373 8.9120 8.9120 8.9158 8.9158 10.3826 10.3826 10.3841 10.3841 12.7388 12.7388 12.7522 12.7522 k = 0.2281-0.3723 0.3007 ( 3680 PWs) bands (ev): -18.1888 -18.1888 -18.1888 -18.1888 -12.6364 -12.6364 -12.6351 -12.6351 -5.1198 -5.1198 -5.0641 -5.0641 -3.5066 -3.5066 -3.4423 -3.4423 -3.1613 -3.1613 -2.9838 -2.9838 -0.2343 -0.2343 -0.1865 -0.1865 2.6322 2.6322 2.6459 2.6459 2.9059 2.9059 2.9404 2.9404 3.7708 3.7708 3.8227 3.8227 8.8877 8.8877 8.8914 8.8914 10.3918 10.3918 10.3934 10.3934 12.7348 12.7348 12.7483 12.7483 k = 0.2212-0.3610 0.3007 ( 3678 PWs) bands (ev): -18.1914 -18.1914 -18.1914 -18.1914 -12.6351 -12.6351 -12.6339 -12.6339 -5.1111 -5.1111 -5.0554 -5.0554 -3.4932 -3.4932 -3.4273 -3.4273 -3.1574 -3.1574 -2.9783 -2.9783 -0.2386 -0.2386 -0.1905 -0.1905 2.6365 2.6365 2.6474 2.6474 2.9043 2.9043 2.9361 2.9361 3.7537 3.7537 3.8053 3.8053 8.8659 8.8659 8.8696 8.8696 10.3923 10.3923 10.3942 10.3942 12.7318 12.7318 12.7454 12.7454 k = 0.2143-0.3497 0.3007 ( 3674 PWs) bands (ev): -18.1940 -18.1940 -18.1940 -18.1940 -12.6339 -12.6339 -12.6326 -12.6326 -5.1021 -5.1021 -5.0465 -5.0465 -3.4786 -3.4786 -3.4119 -3.4119 -3.1522 -3.1522 -2.9724 -2.9724 -0.2446 -0.2446 -0.1964 -0.1964 2.6430 2.6430 2.6511 2.6511 2.9029 2.9029 2.9319 2.9319 3.7342 3.7342 3.7854 3.7854 8.8467 8.8467 8.8503 8.8503 10.3847 10.3847 10.3867 10.3867 12.7292 12.7292 12.7426 12.7426 k = 0.2074-0.3385 0.3007 ( 3674 PWs) bands (ev): -18.1967 -18.1967 -18.1967 -18.1967 -12.6326 -12.6326 -12.6313 -12.6313 -5.0926 -5.0926 -5.0372 -5.0372 -3.4631 -3.4631 -3.3962 -3.3962 -3.1457 -3.1457 -2.9662 -2.9662 -0.2522 -0.2522 -0.2042 -0.2042 2.6514 2.6514 2.6569 2.6569 2.9016 2.9016 2.9278 2.9278 3.7123 3.7123 3.7632 3.7632 8.8300 8.8300 8.8336 8.8336 10.3691 10.3691 10.3715 10.3715 12.7260 12.7260 12.7390 12.7390 k = 0.2005-0.3272 0.3007 ( 3672 PWs) bands (ev): -18.1995 -18.1995 -18.1995 -18.1995 -12.6312 -12.6312 -12.6300 -12.6300 -5.0829 -5.0829 -5.0277 -5.0277 -3.4465 -3.4465 -3.3802 -3.3802 -3.1380 -3.1380 -2.9596 -2.9596 -0.2614 -0.2614 -0.2137 -0.2137 2.6617 2.6617 2.6646 2.6646 2.9004 2.9004 2.9237 2.9237 3.6885 3.6885 3.7389 3.7389 8.8158 8.8158 8.8195 8.8195 10.3464 10.3464 10.3491 10.3491 12.7214 12.7214 12.7336 12.7336 k = 0.1936-0.3159 0.3007 ( 3674 PWs) bands (ev): -18.2023 -18.2023 -18.2023 -18.2023 -12.6299 -12.6299 -12.6287 -12.6287 -5.0729 -5.0729 -5.0180 -5.0180 -3.4289 -3.4289 -3.3640 -3.3640 -3.1289 -3.1289 -2.9528 -2.9528 -0.2720 -0.2720 -0.2250 -0.2250 2.6734 2.6734 2.6736 2.6736 2.8993 2.8993 2.9196 2.9196 3.6630 3.6630 3.7128 3.7128 8.8042 8.8042 8.8079 8.8079 10.3171 10.3171 10.3201 10.3201 12.7141 12.7141 12.7254 12.7254 k = 0.1867-0.3046 0.3007 ( 3676 PWs) bands (ev): -18.2052 -18.2052 -18.2052 -18.2052 -12.6285 -12.6285 -12.6273 -12.6273 -5.0626 -5.0626 -5.0081 -5.0081 -3.4104 -3.4104 -3.3477 -3.3477 -3.1184 -3.1184 -2.9457 -2.9457 -0.2840 -0.2840 -0.2378 -0.2378 2.6838 2.6838 2.6862 2.6862 2.8984 2.8984 2.9154 2.9154 3.6364 3.6364 3.6854 3.6854 8.7951 8.7951 8.7989 8.7989 10.2821 10.2821 10.2855 10.2855 12.7034 12.7034 12.7132 12.7132 k = 0.1797-0.2933 0.3007 ( 3682 PWs) bands (ev): -18.2081 -18.2081 -18.2081 -18.2081 -12.6271 -12.6271 -12.6260 -12.6260 -5.0521 -5.0521 -4.9981 -4.9981 -3.3910 -3.3910 -3.3313 -3.3313 -3.1067 -3.1067 -2.9383 -2.9383 -0.2971 -0.2971 -0.2521 -0.2521 2.6945 2.6945 2.6999 2.6999 2.8977 2.8977 2.9109 2.9109 3.6089 3.6089 3.6571 3.6571 8.7885 8.7885 8.7924 8.7924 10.2421 10.2421 10.2459 10.2459 12.6885 12.6885 12.6966 12.6966 k = 0.1728-0.2821 0.3007 ( 3684 PWs) bands (ev): -18.2111 -18.2111 -18.2111 -18.2111 -12.6257 -12.6257 -12.6246 -12.6246 -5.0415 -5.0415 -4.9880 -4.9880 -3.3708 -3.3708 -3.3150 -3.3150 -3.0936 -3.0936 -2.9307 -2.9307 -0.3113 -0.3113 -0.2676 -0.2676 2.7053 2.7053 2.7139 2.7139 2.8972 2.8972 2.9062 2.9062 3.5814 3.5814 3.6284 3.6284 8.7843 8.7843 8.7883 8.7883 10.1980 10.1980 10.2021 10.2021 12.6688 12.6688 12.6751 12.6751 k = 0.1659-0.2708 0.3007 ( 3686 PWs) bands (ev): -18.2141 -18.2141 -18.2141 -18.2141 -12.6243 -12.6243 -12.6232 -12.6232 -5.0307 -5.0307 -4.9779 -4.9779 -3.3499 -3.3499 -3.2988 -3.2988 -3.0792 -3.0792 -2.9229 -2.9229 -0.3264 -0.3264 -0.2842 -0.2842 2.7156 2.7156 2.7277 2.7277 2.8967 2.8967 2.9009 2.9009 3.5544 3.5544 3.6000 3.6000 8.7826 8.7826 8.7867 8.7867 10.1504 10.1504 10.1549 10.1549 12.6444 12.6444 12.6486 12.6486 k = 0.1590-0.2595 0.3007 ( 3680 PWs) bands (ev): -18.2171 -18.2171 -18.2171 -18.2171 -12.6229 -12.6229 -12.6218 -12.6218 -5.0198 -5.0198 -4.9678 -4.9678 -3.3284 -3.3284 -3.2828 -3.2828 -3.0637 -3.0637 -2.9150 -2.9150 -0.3422 -0.3422 -0.3017 -0.3017 2.7249 2.7249 2.7409 2.7409 2.8948 2.8948 2.8963 2.8963 3.5287 3.5287 3.5725 3.5725 8.7832 8.7832 8.7874 8.7874 10.1002 10.1002 10.1051 10.1051 12.6153 12.6153 12.6176 12.6176 k = 0.1521-0.2482 0.3007 ( 3680 PWs) bands (ev): -18.2200 -18.2200 -18.2200 -18.2200 -12.6215 -12.6215 -12.6204 -12.6204 -5.0089 -5.0089 -4.9578 -4.9578 -3.3064 -3.3064 -3.2668 -3.2668 -3.0471 -3.0471 -2.9070 -2.9070 -0.3586 -0.3586 -0.3198 -0.3198 2.7325 2.7325 2.7529 2.7529 2.8879 2.8879 2.8957 2.8957 3.5051 3.5051 3.5469 3.5469 8.7860 8.7860 8.7904 8.7904 10.0479 10.0479 10.0532 10.0532 12.5820 12.5820 12.5825 12.5825 k = 0.1452-0.2369 0.3007 ( 3684 PWs) bands (ev): -18.2230 -18.2230 -18.2230 -18.2230 -12.6201 -12.6201 -12.6191 -12.6191 -4.9979 -4.9979 -4.9479 -4.9479 -3.2839 -3.2839 -3.2511 -3.2511 -3.0297 -3.0297 -2.8989 -2.8989 -0.3753 -0.3753 -0.3385 -0.3385 2.7379 2.7379 2.7631 2.7631 2.8797 2.8797 2.8945 2.8945 3.4845 3.4845 3.5237 3.5237 8.7910 8.7910 8.7955 8.7955 9.9943 9.9943 10.0000 10.0000 12.5439 12.5439 12.5450 12.5450 k = 0.1383-0.2256 0.3007 ( 3686 PWs) bands (ev): -18.2259 -18.2259 -18.2259 -18.2259 -12.6187 -12.6187 -12.6178 -12.6178 -4.9870 -4.9870 -4.9381 -4.9381 -3.2612 -3.2612 -3.2356 -3.2356 -3.0114 -3.0114 -2.8908 -2.8908 -0.3922 -0.3922 -0.3575 -0.3575 2.7407 2.7407 2.7706 2.7706 2.8704 2.8704 2.8926 2.8926 3.4677 3.4677 3.5041 3.5041 8.7979 8.7979 8.8027 8.8027 9.9398 9.9398 9.9459 9.9459 12.5026 12.5026 12.5051 12.5051 k = 0.1314-0.2144 0.3007 ( 3688 PWs) bands (ev): -18.2288 -18.2288 -18.2288 -18.2288 -12.6174 -12.6174 -12.6164 -12.6164 -4.9762 -4.9762 -4.9286 -4.9286 -3.2383 -3.2383 -3.2203 -3.2203 -2.9926 -2.9926 -2.8827 -2.8827 -0.4091 -0.4091 -0.3766 -0.3766 2.7403 2.7403 2.7744 2.7744 2.8604 2.8604 2.8898 2.8898 3.4553 3.4553 3.4885 3.4885 8.8068 8.8068 8.8118 8.8118 9.8851 9.8851 9.8916 9.8916 12.4591 12.4591 12.4628 12.4628 k = 0.1244-0.2031 0.3007 ( 3684 PWs) bands (ev): -18.2316 -18.2316 -18.2316 -18.2316 -12.6160 -12.6160 -12.6152 -12.6152 -4.9655 -4.9655 -4.9192 -4.9192 -3.2155 -3.2155 -3.2051 -3.2051 -2.9734 -2.9734 -2.8747 -2.8747 -0.4258 -0.4258 -0.3957 -0.3957 2.7363 2.7363 2.7730 2.7730 2.8510 2.8510 2.8858 2.8858 3.4477 3.4477 3.4776 3.4776 8.8174 8.8174 8.8227 8.8227 9.8307 9.8307 9.8375 9.8375 12.4142 12.4142 12.4188 12.4188 k = 0.1175-0.1918 0.3007 ( 3682 PWs) bands (ev): -18.2344 -18.2344 -18.2344 -18.2344 -12.6148 -12.6148 -12.6139 -12.6139 -4.9549 -4.9549 -4.9102 -4.9102 -3.1928 -3.1928 -3.1901 -3.1901 -2.9541 -2.9541 -2.8669 -2.8669 -0.4423 -0.4423 -0.4145 -0.4145 2.7285 2.7285 2.7647 2.7647 2.8438 2.8438 2.8809 2.8809 3.4450 3.4450 3.4716 3.4716 8.8297 8.8297 8.8352 8.8352 9.7768 9.7768 9.7841 9.7841 12.3685 12.3685 12.3738 12.3738 k = 0.1106-0.1805 0.3007 ( 3684 PWs) bands (ev): -18.2371 -18.2371 -18.2371 -18.2371 -12.6135 -12.6135 -12.6127 -12.6127 -4.9445 -4.9445 -4.9015 -4.9015 -3.1753 -3.1753 -3.1704 -3.1704 -2.9348 -2.9348 -2.8591 -2.8591 -0.4582 -0.4582 -0.4329 -0.4329 2.7166 2.7166 2.7490 2.7490 2.8395 2.8395 2.8755 2.8755 3.4469 3.4469 3.4704 3.4704 8.8433 8.8433 8.8491 8.8491 9.7240 9.7240 9.7316 9.7316 12.3224 12.3224 12.3282 12.3282 k = 0.1037-0.1692 0.3007 ( 3682 PWs) bands (ev): -18.2397 -18.2397 -18.2397 -18.2397 -12.6123 -12.6123 -12.6116 -12.6116 -4.9344 -4.9344 -4.8932 -4.8932 -3.1606 -3.1606 -3.1486 -3.1486 -2.9159 -2.9159 -2.8516 -2.8516 -0.4737 -0.4737 -0.4507 -0.4507 2.7007 2.7007 2.7274 2.7274 2.8375 2.8375 2.8700 2.8700 3.4530 3.4530 3.4735 3.4735 8.8582 8.8582 8.8644 8.8644 9.6726 9.6726 9.6806 9.6806 12.2764 12.2764 12.2826 12.2826 k = 0.0968-0.1579 0.3007 ( 3682 PWs) bands (ev): -18.2421 -18.2421 -18.2421 -18.2421 -12.6112 -12.6112 -12.6105 -12.6105 -4.9245 -4.9245 -4.8853 -4.8853 -3.1461 -3.1461 -3.1274 -3.1274 -2.8974 -2.8974 -2.8443 -2.8443 -0.4884 -0.4884 -0.4678 -0.4678 2.6810 2.6810 2.7014 2.7014 2.8367 2.8367 2.8647 2.8647 3.4625 3.4625 3.4804 3.4804 8.8742 8.8742 8.8807 8.8807 9.6228 9.6228 9.6313 9.6313 12.2310 12.2310 12.2374 12.2374 k = 0.0899-0.1467 0.3007 ( 3678 PWs) bands (ev): -18.2445 -18.2445 -18.2445 -18.2445 -12.6101 -12.6101 -12.6094 -12.6094 -4.9150 -4.9150 -4.8779 -4.8779 -3.1319 -3.1319 -3.1070 -3.1070 -2.8796 -2.8796 -2.8372 -2.8372 -0.5023 -0.5023 -0.4840 -0.4840 2.6582 2.6582 2.6729 2.6729 2.8364 2.8364 2.8599 2.8599 3.4748 3.4748 3.4904 3.4904 8.8909 8.8909 8.8978 8.8978 9.5751 9.5751 9.5839 9.5839 12.1866 12.1866 12.1931 12.1931 k = 0.0830-0.1354 0.3007 ( 3668 PWs) bands (ev): -18.2467 -18.2467 -18.2467 -18.2467 -12.6091 -12.6091 -12.6084 -12.6084 -4.9059 -4.9059 -4.8710 -4.8710 -3.1178 -3.1178 -3.0878 -3.0878 -2.8627 -2.8627 -2.8303 -2.8303 -0.5153 -0.5153 -0.4992 -0.4992 2.6331 2.6331 2.6431 2.6431 2.8362 2.8362 2.8558 2.8558 3.4889 3.4889 3.5025 3.5025 8.9084 8.9084 8.9156 8.9156 9.5295 9.5295 9.5388 9.5388 12.1437 12.1437 12.1500 12.1500 k = 0.0760-0.1241 0.3007 ( 3674 PWs) bands (ev): -18.2488 -18.2488 -18.2488 -18.2488 -12.6081 -12.6081 -12.6075 -12.6075 -4.8971 -4.8971 -4.8646 -4.8646 -3.1041 -3.1041 -3.0697 -3.0697 -2.8469 -2.8469 -2.8237 -2.8237 -0.5273 -0.5273 -0.5134 -0.5134 2.6066 2.6066 2.6127 2.6127 2.8359 2.8359 2.8522 2.8522 3.5043 3.5043 3.5162 3.5162 8.9262 8.9262 8.9338 8.9338 9.4863 9.4863 9.4960 9.4960 12.1025 12.1025 12.1086 12.1086 k = 0.0691-0.1128 0.3007 ( 3676 PWs) bands (ev): -18.2508 -18.2508 -18.2508 -18.2508 -12.6072 -12.6072 -12.6067 -12.6067 -4.8888 -4.8888 -4.8588 -4.8588 -3.0906 -3.0906 -3.0531 -3.0531 -2.8323 -2.8323 -2.8173 -2.8173 -0.5383 -0.5383 -0.5264 -0.5264 2.5796 2.5796 2.5826 2.5826 2.8357 2.8357 2.8491 2.8491 3.5203 3.5203 3.5306 3.5306 8.9441 8.9441 8.9523 8.9523 9.4457 9.4457 9.4557 9.4557 12.0634 12.0634 12.0693 12.0693 k = 0.0622-0.1015 0.3007 ( 3678 PWs) bands (ev): -18.2526 -18.2526 -18.2526 -18.2526 -12.6064 -12.6064 -12.6059 -12.6059 -4.8810 -4.8810 -4.8537 -4.8537 -3.0776 -3.0776 -3.0382 -3.0382 -2.8191 -2.8191 -2.8111 -2.8111 -0.5483 -0.5483 -0.5383 -0.5383 2.5527 2.5527 2.5536 2.5536 2.8354 2.8354 2.8464 2.8464 3.5363 3.5363 3.5453 3.5453 8.9621 8.9621 8.9706 8.9706 9.4079 9.4079 9.4182 9.4182 12.0268 12.0268 12.0324 12.0324 k = 0.0553-0.0903 0.3007 ( 3682 PWs) bands (ev): -18.2542 -18.2542 -18.2542 -18.2542 -12.6056 -12.6056 -12.6052 -12.6052 -4.8738 -4.8738 -4.8491 -4.8491 -3.0650 -3.0650 -3.0250 -3.0250 -2.8074 -2.8074 -2.8052 -2.8052 -0.5571 -0.5571 -0.5489 -0.5489 2.5262 2.5262 2.5269 2.5269 2.8350 2.8350 2.8440 2.8440 3.5518 3.5518 3.5596 3.5596 8.9798 8.9798 8.9887 8.9887 9.3729 9.3729 9.3835 9.3835 11.9931 11.9931 11.9982 11.9982 k = 0.0484-0.0790 0.3007 ( 3678 PWs) bands (ev): -18.2556 -18.2556 -18.2556 -18.2556 -12.6050 -12.6050 -12.6046 -12.6046 -4.8671 -4.8671 -4.8452 -4.8452 -3.0530 -3.0530 -3.0138 -3.0138 -2.7995 -2.7995 -2.7973 -2.7973 -0.5649 -0.5649 -0.5582 -0.5582 2.5009 2.5009 2.5026 2.5026 2.8347 2.8347 2.8420 2.8420 3.5666 3.5666 3.5732 3.5732 8.9971 8.9971 9.0063 9.0063 9.3409 9.3409 9.3516 9.3516 11.9625 11.9625 11.9672 11.9672 k = 0.0415-0.0677 0.3007 ( 3680 PWs) bands (ev): -18.2569 -18.2569 -18.2569 -18.2569 -12.6044 -12.6044 -12.6040 -12.6040 -4.8609 -4.8609 -4.8421 -4.8421 -3.0416 -3.0416 -3.0047 -3.0047 -2.7940 -2.7940 -2.7888 -2.7888 -0.5716 -0.5716 -0.5662 -0.5662 2.4782 2.4782 2.4804 2.4804 2.8344 2.8344 2.8403 2.8403 3.5800 3.5800 3.5856 3.5856 9.0137 9.0137 9.0231 9.0231 9.3121 9.3121 9.3228 9.3228 11.9354 11.9354 11.9395 11.9395 k = 0.0346-0.0564 0.3007 ( 3676 PWs) bands (ev): -18.2580 -18.2580 -18.2580 -18.2580 -12.6039 -12.6039 -12.6035 -12.6035 -4.8555 -4.8555 -4.8396 -4.8396 -3.0310 -3.0310 -2.9978 -2.9978 -2.7888 -2.7888 -2.7819 -2.7819 -0.5772 -0.5772 -0.5730 -0.5730 2.4584 2.4584 2.4607 2.4607 2.8342 2.8342 2.8388 2.8388 3.5920 3.5920 3.5966 3.5966 9.0295 9.0295 9.0388 9.0388 9.2865 9.2865 9.2969 9.2969 11.9119 11.9119 11.9154 11.9154 k = 0.0277-0.0451 0.3007 ( 3674 PWs) bands (ev): -18.2589 -18.2589 -18.2589 -18.2589 -12.6035 -12.6035 -12.6032 -12.6032 -4.8506 -4.8506 -4.8379 -4.8379 -3.0213 -3.0213 -2.9930 -2.9930 -2.7839 -2.7839 -2.7767 -2.7767 -0.5817 -0.5817 -0.5786 -0.5786 2.4419 2.4419 2.4441 2.4441 2.8340 2.8340 2.8376 2.8376 3.6022 3.6022 3.6058 3.6058 9.0441 9.0441 9.0529 9.0529 9.2645 9.2645 9.2743 9.2743 11.8925 11.8925 11.8953 11.8953 k = 0.0207-0.0338 0.3007 ( 3676 PWs) bands (ev): -18.2596 -18.2596 -18.2596 -18.2596 -12.6031 -12.6031 -12.6029 -12.6029 -4.8465 -4.8465 -4.8369 -4.8369 -3.0126 -3.0126 -2.9903 -2.9903 -2.7796 -2.7796 -2.7732 -2.7732 -0.5851 -0.5851 -0.5829 -0.5829 2.4289 2.4289 2.4307 2.4307 2.8339 2.8339 2.8365 2.8365 3.6104 3.6104 3.6131 3.6131 9.0572 9.0572 9.0650 9.0650 9.2464 9.2464 9.2550 9.2550 11.8772 11.8772 11.8794 11.8794 k = 0.0138-0.0226 0.3007 ( 3670 PWs) bands (ev): -18.2601 -18.2601 -18.2601 -18.2601 -12.6029 -12.6029 -12.6027 -12.6027 -4.8431 -4.8431 -4.8366 -4.8366 -3.0051 -3.0051 -2.9897 -2.9897 -2.7759 -2.7759 -2.7711 -2.7711 -0.5875 -0.5875 -0.5861 -0.5861 2.4196 2.4196 2.4209 2.4209 2.8340 2.8340 2.8357 2.8357 3.6165 3.6165 3.6183 3.6183 9.0682 9.0682 9.0743 9.0743 9.2331 9.2331 9.2397 9.2397 11.8663 11.8663 11.8677 11.8677 k = 0.0069-0.0113 0.3007 ( 3670 PWs) bands (ev): -18.2604 -18.2604 -18.2604 -18.2604 -12.6027 -12.6027 -12.6025 -12.6025 -4.8403 -4.8403 -4.8371 -4.8371 -2.9989 -2.9989 -2.9910 -2.9910 -2.7731 -2.7731 -2.7705 -2.7705 -0.5888 -0.5888 -0.5881 -0.5881 2.4141 2.4141 2.4148 2.4148 2.8342 2.8342 2.8350 2.8350 3.6203 3.6203 3.6212 3.6212 9.0762 9.0762 9.0796 9.0796 9.2254 9.2254 9.2290 9.2290 11.8598 11.8598 11.8605 11.8605 k = 0.0000 0.0000 0.3007 ( 3674 PWs) bands (ev): -18.2605 -18.2605 -18.2605 -18.2605 -12.6027 -12.6027 -12.6025 -12.6025 -4.8384 -4.8384 -4.8383 -4.8383 -2.9941 -2.9941 -2.9941 -2.9941 -2.7712 -2.7712 -2.7712 -2.7712 -0.5891 -0.5891 -0.5889 -0.5889 2.4124 2.4124 2.4125 2.4125 2.8344 2.8344 2.8346 2.8346 3.6219 3.6219 3.6220 3.6220 9.0802 9.0802 9.0803 9.0803 9.2239 9.2239 9.2240 9.2240 11.8579 11.8579 11.8579 11.8579 k = 0.0000 0.0000 0.3007 ( 3674 PWs) bands (ev): -18.2605 -18.2605 -18.2605 -18.2605 -12.6027 -12.6027 -12.6025 -12.6025 -4.8384 -4.8384 -4.8383 -4.8383 -2.9941 -2.9941 -2.9941 -2.9941 -2.7712 -2.7712 -2.7712 -2.7712 -0.5891 -0.5891 -0.5889 -0.5889 2.4124 2.4124 2.4125 2.4125 2.8344 2.8344 2.8346 2.8346 3.6219 3.6219 3.6220 3.6220 9.0802 9.0802 9.0803 9.0803 9.2239 9.2239 9.2240 9.2240 11.8579 11.8579 11.8579 11.8579 k = 0.0114 0.0070 0.3007 ( 3671 PWs) bands (ev): -18.2608 -18.2608 -18.2600 -18.2600 -12.6041 -12.6041 -12.6012 -12.6012 -4.8412 -4.8412 -4.8362 -4.8362 -3.0010 -3.0010 -2.9886 -2.9886 -2.7751 -2.7751 -2.7684 -2.7684 -0.5934 -0.5934 -0.5841 -0.5841 2.4098 2.4098 2.4169 2.4169 2.7977 2.7977 2.8723 2.8723 3.6150 3.6150 3.6282 3.6282 9.0737 9.0737 9.0880 9.0880 9.1582 9.1582 9.2896 9.2896 11.8392 11.8392 11.8816 11.8816 k = 0.0228 0.0140 0.3007 ( 3671 PWs) bands (ev): -18.2608 -18.2608 -18.2593 -18.2593 -12.6056 -12.6056 -12.6000 -12.6000 -4.8448 -4.8448 -4.8349 -4.8349 -3.0090 -3.0090 -2.9844 -2.9844 -2.7801 -2.7801 -2.7668 -2.7668 -0.5972 -0.5972 -0.5788 -0.5788 2.4089 2.4089 2.4231 2.4231 2.7624 2.7624 2.9107 2.9107 3.6074 3.6074 3.6338 3.6338 9.0670 9.0670 9.0845 9.0845 9.1068 9.1068 9.3543 9.3543 11.8255 11.8255 11.9103 11.9103 k = 0.0342 0.0209 0.3007 ( 3672 PWs) bands (ev): -18.2605 -18.2605 -18.2583 -18.2583 -12.6073 -12.6073 -12.5990 -12.5990 -4.8490 -4.8490 -4.8343 -4.8343 -3.0182 -3.0182 -2.9817 -2.9817 -2.7859 -2.7859 -2.7665 -2.7665 -0.6005 -0.6005 -0.5730 -0.5730 2.4098 2.4098 2.4309 2.4309 2.7288 2.7288 2.9494 2.9494 3.5992 3.5992 3.6387 3.6387 9.0178 9.0178 9.0684 9.0684 9.1138 9.1138 9.4177 9.4177 11.8170 11.8170 11.9439 11.9439 k = 0.0456 0.0279 0.3007 ( 3675 PWs) bands (ev): -18.2600 -18.2600 -18.2571 -18.2571 -12.6090 -12.6090 -12.5981 -12.5981 -4.8539 -4.8539 -4.8345 -4.8345 -3.0284 -3.0284 -2.9805 -2.9805 -2.7926 -2.7926 -2.7675 -2.7675 -0.6032 -0.6032 -0.5668 -0.5668 2.4122 2.4122 2.4404 2.4404 2.6974 2.6974 2.9878 2.9878 3.5903 3.5903 3.6431 3.6431 8.9506 8.9506 9.0671 9.0671 9.1275 9.1275 9.4797 9.4797 11.8135 11.8135 11.9823 11.9823 k = 0.0570 0.0349 0.3007 ( 3680 PWs) bands (ev): -18.2593 -18.2593 -18.2556 -18.2556 -12.6108 -12.6108 -12.5974 -12.5974 -4.8594 -4.8594 -4.8355 -4.8355 -3.0395 -3.0395 -2.9809 -2.9809 -2.8000 -2.8000 -2.7699 -2.7699 -0.6054 -0.6054 -0.5603 -0.5603 2.4163 2.4163 2.4514 2.4514 2.6687 2.6687 3.0257 3.0257 3.5807 3.5807 3.6469 3.6469 8.8824 8.8824 9.0683 9.0683 9.1435 9.1435 9.5397 9.5397 11.8152 11.8152 12.0254 12.0254 k = 0.0684 0.0419 0.3007 ( 3682 PWs) bands (ev): -18.2584 -18.2584 -18.2540 -18.2540 -12.6125 -12.6125 -12.5968 -12.5968 -4.8654 -4.8654 -4.8373 -4.8373 -3.0514 -3.0514 -2.9828 -2.9828 -2.8081 -2.8081 -2.7738 -2.7738 -0.6070 -0.6070 -0.5534 -0.5534 2.4216 2.4216 2.4639 2.4639 2.6430 2.6430 3.0626 3.0626 3.5706 3.5706 3.6501 3.6501 8.8140 8.8140 9.0716 9.0716 9.1616 9.1616 9.5978 9.5978 11.8218 11.8218 12.0731 12.0731 k = 0.0798 0.0489 0.3007 ( 3684 PWs) bands (ev): -18.2572 -18.2572 -18.2521 -18.2521 -12.6143 -12.6143 -12.5965 -12.5965 -4.8719 -4.8719 -4.8399 -4.8399 -3.0640 -3.0640 -2.9862 -2.9862 -2.8169 -2.8169 -2.7790 -2.7790 -0.6081 -0.6081 -0.5463 -0.5463 2.4279 2.4279 2.4777 2.4777 2.6210 2.6210 3.0982 3.0982 3.5600 3.5600 3.6529 3.6529 8.7458 8.7458 9.0770 9.0770 9.1818 9.1818 9.6535 9.6535 11.8335 11.8335 12.1252 12.1252 k = 0.0912 0.0559 0.3007 ( 3682 PWs) bands (ev): -18.2558 -18.2558 -18.2500 -18.2500 -12.6161 -12.6161 -12.5964 -12.5964 -4.8789 -4.8789 -4.8432 -4.8432 -3.0772 -3.0772 -2.9912 -2.9912 -2.8266 -2.8266 -2.7854 -2.7854 -0.6086 -0.6086 -0.5390 -0.5390 2.4348 2.4348 2.4928 2.4928 2.6035 2.6035 3.1319 3.1319 3.5488 3.5488 3.6554 3.6554 8.6779 8.6779 9.0844 9.0844 9.2041 9.2041 9.7067 9.7067 11.8499 11.8499 12.1815 12.1815 k = 0.1026 0.0628 0.3007 ( 3685 PWs) bands (ev): -18.2541 -18.2541 -18.2476 -18.2476 -12.6179 -12.6179 -12.5965 -12.5965 -4.8864 -4.8864 -4.8474 -4.8474 -3.0909 -3.0909 -2.9976 -2.9976 -2.8371 -2.8371 -2.7930 -2.7930 -0.6086 -0.6086 -0.5315 -0.5315 2.4414 2.4414 2.5089 2.5089 2.5910 2.5910 3.1634 3.1634 3.5371 3.5371 3.6576 3.6576 8.6106 8.6106 9.0941 9.0941 9.2284 9.2284 9.7571 9.7571 11.8711 11.8711 12.2420 12.2420 k = 0.1139 0.0698 0.3007 ( 3683 PWs) bands (ev): -18.2523 -18.2523 -18.2451 -18.2451 -12.6197 -12.6197 -12.5969 -12.5969 -4.8942 -4.8942 -4.8522 -4.8522 -3.1050 -3.1050 -3.0053 -3.0053 -2.8487 -2.8487 -2.8015 -2.8015 -0.6081 -0.6081 -0.5239 -0.5239 2.4473 2.4473 2.5259 2.5259 2.5846 2.5846 3.1922 3.1922 3.5251 3.5251 3.6598 3.6598 8.5439 8.5439 9.1059 9.1059 9.2548 9.2548 9.8044 9.8044 11.8967 11.8967 12.3064 12.3064 k = 0.1253 0.0768 0.3007 ( 3690 PWs) bands (ev): -18.2503 -18.2503 -18.2424 -18.2424 -12.6214 -12.6214 -12.5975 -12.5975 -4.9024 -4.9024 -4.8577 -4.8577 -3.1194 -3.1194 -3.0142 -3.0142 -2.8617 -2.8617 -2.8107 -2.8107 -0.6071 -0.6071 -0.5163 -0.5163 2.4517 2.4517 2.5437 2.5437 2.5848 2.5848 3.2180 3.2180 3.5127 3.5127 3.6620 3.6620 8.4781 8.4781 9.1200 9.1200 9.2831 9.2831 9.8484 9.8484 11.9264 11.9264 12.3745 12.3745 k = 0.1367 0.0838 0.3007 ( 3683 PWs) bands (ev): -18.2481 -18.2481 -18.2396 -18.2396 -12.6230 -12.6230 -12.5983 -12.5983 -4.9109 -4.9109 -4.8638 -4.8638 -3.1340 -3.1340 -3.0242 -3.0242 -2.8761 -2.8761 -2.8202 -2.8202 -0.6058 -0.6058 -0.5086 -0.5086 2.4550 2.4550 2.5619 2.5619 2.5916 2.5916 3.2404 3.2404 3.5000 3.5000 3.6646 3.6646 8.4134 8.4134 9.1363 9.1363 9.3136 9.3136 9.8889 9.8889 11.9600 11.9600 12.4461 12.4461 k = 0.1481 0.0908 0.3007 ( 3680 PWs) bands (ev): -18.2457 -18.2457 -18.2366 -18.2366 -12.6245 -12.6245 -12.5994 -12.5994 -4.9197 -4.9197 -4.8706 -4.8706 -3.1488 -3.1488 -3.0350 -3.0350 -2.8923 -2.8923 -2.8299 -2.8299 -0.6040 -0.6040 -0.5009 -0.5009 2.4578 2.4578 2.5804 2.5804 2.6043 2.6043 3.2589 3.2589 3.4870 3.4870 3.6677 3.6677 8.3498 8.3498 9.1550 9.1550 9.3461 9.3461 9.9257 9.9257 11.9969 11.9969 12.5209 12.5209 k = 0.1595 0.0978 0.3007 ( 3677 PWs) bands (ev): -18.2432 -18.2432 -18.2334 -18.2334 -12.6260 -12.6260 -12.6007 -12.6007 -4.9288 -4.9288 -4.8778 -4.8778 -3.1636 -3.1636 -3.0467 -3.0467 -2.9102 -2.9102 -2.8396 -2.8396 -0.6019 -0.6019 -0.4934 -0.4934 2.4611 2.4611 2.5992 2.5992 2.6215 2.6215 3.2732 3.2732 3.4739 3.4739 3.6714 3.6714 8.2874 8.2874 9.1760 9.1760 9.3805 9.3805 9.9585 9.9585 12.0365 12.0365 12.5985 12.5985 k = 0.1709 0.1047 0.3007 ( 3682 PWs) bands (ev): -18.2405 -18.2405 -18.2301 -18.2301 -12.6274 -12.6274 -12.6023 -12.6023 -4.9382 -4.9382 -4.8854 -4.8854 -3.1784 -3.1784 -3.0589 -3.0589 -2.9299 -2.9299 -2.8491 -2.8491 -0.5994 -0.5994 -0.4859 -0.4859 2.4658 2.4658 2.6185 2.6185 2.6421 2.6421 3.2832 3.2832 3.4607 3.4607 3.6760 3.6760 8.2266 8.2266 9.1994 9.1994 9.4169 9.4169 9.9872 9.9872 12.0783 12.0783 12.6772 12.6772 k = 0.1823 0.1117 0.3007 ( 3682 PWs) bands (ev): -18.2377 -18.2377 -18.2267 -18.2267 -12.6286 -12.6286 -12.6041 -12.6041 -4.9479 -4.9479 -4.8933 -4.8933 -3.1931 -3.1931 -3.0717 -3.0717 -2.9511 -2.9511 -2.8586 -2.8586 -0.5967 -0.5967 -0.4785 -0.4785 2.4724 2.4724 2.6382 2.6382 2.6651 2.6651 3.2886 3.2886 3.4473 3.4473 3.6814 3.6814 8.1673 8.1673 9.2251 9.2251 9.4552 9.4552 10.0117 10.0117 12.1214 12.1214 12.7200 12.7200 k = 0.1937 0.1187 0.3007 ( 3680 PWs) bands (ev): -18.2348 -18.2348 -18.2231 -18.2231 -12.6297 -12.6297 -12.6062 -12.6062 -4.9578 -4.9578 -4.9014 -4.9014 -3.2077 -3.2077 -3.0849 -3.0849 -2.9738 -2.9738 -2.8678 -2.8678 -0.5937 -0.5937 -0.4713 -0.4713 2.4814 2.4814 2.6580 2.6580 2.6900 2.6900 3.2898 3.2898 3.4338 3.4338 3.6878 3.6878 8.1097 8.1097 9.2532 9.2532 9.4953 9.4953 10.0320 10.0320 12.1651 12.1651 12.7398 12.7398 k = 0.2051 0.1257 0.3007 ( 3676 PWs) bands (ev): -18.2318 -18.2318 -18.2195 -18.2195 -12.6307 -12.6307 -12.6085 -12.6085 -4.9681 -4.9681 -4.9097 -4.9097 -3.2222 -3.2222 -3.0984 -3.0984 -2.9977 -2.9977 -2.8769 -2.8769 -0.5905 -0.5905 -0.4643 -0.4643 2.4930 2.4930 2.6778 2.6778 2.7165 2.7165 3.2868 3.2868 3.4201 3.4201 3.6950 3.6950 8.0540 8.0540 9.2837 9.2837 9.5371 9.5371 10.0479 10.0479 12.2084 12.2084 12.7641 12.7641 k = 0.2165 0.1327 0.3007 ( 3676 PWs) bands (ev): -18.2287 -18.2287 -18.2158 -18.2158 -12.6316 -12.6316 -12.6110 -12.6110 -4.9787 -4.9787 -4.9179 -4.9179 -3.2365 -3.2365 -3.1123 -3.1123 -3.0224 -3.0224 -2.8858 -2.8858 -0.5872 -0.5872 -0.4575 -0.4575 2.5071 2.5071 2.6972 2.6972 2.7442 2.7442 3.2800 3.2800 3.4062 3.4062 3.7029 3.7029 8.0003 8.0003 9.3164 9.3164 9.5805 9.5805 10.0594 10.0594 12.2507 12.2507 12.7935 12.7935 k = 0.2279 0.1396 0.3007 ( 3670 PWs) bands (ev): -18.2256 -18.2256 -18.2121 -18.2121 -12.6323 -12.6323 -12.6137 -12.6137 -4.9897 -4.9897 -4.9259 -4.9259 -3.2506 -3.2506 -3.1267 -3.1267 -3.0475 -3.0475 -2.8944 -2.8944 -0.5837 -0.5837 -0.4509 -0.4509 2.5238 2.5238 2.7161 2.7161 2.7729 2.7729 3.2697 3.2697 3.3921 3.3921 3.7114 3.7114 7.9487 7.9487 9.3515 9.3515 9.6254 9.6254 10.0666 10.0666 12.2911 12.2911 12.8274 12.8274 k = 0.2393 0.1466 0.3007 ( 3676 PWs) bands (ev): -18.2224 -18.2224 -18.2083 -18.2083 -12.6329 -12.6329 -12.6166 -12.6166 -5.0011 -5.0011 -4.9336 -4.9336 -3.2644 -3.2644 -3.1420 -3.1420 -3.0724 -3.0724 -2.9028 -2.9028 -0.5800 -0.5800 -0.4446 -0.4446 2.5430 2.5430 2.7343 2.7343 2.8022 2.8022 3.2564 3.2564 3.3777 3.3777 3.7204 3.7204 7.8992 7.8992 9.3886 9.3886 9.6716 9.6716 10.0696 10.0696 12.3292 12.3292 12.8649 12.8649 k = 0.2507 0.1536 0.3007 ( 3676 PWs) bands (ev): -18.2192 -18.2192 -18.2045 -18.2045 -12.6334 -12.6334 -12.6196 -12.6196 -5.0130 -5.0130 -4.9410 -4.9410 -3.2780 -3.2780 -3.1586 -3.1586 -3.0961 -3.0961 -2.9109 -2.9109 -0.5763 -0.5763 -0.4385 -0.4385 2.5645 2.5645 2.7518 2.7518 2.8317 2.8317 3.2404 3.2404 3.3635 3.3635 3.7298 3.7298 7.8520 7.8520 9.4277 9.4277 9.7189 9.7189 10.0684 10.0684 12.3644 12.3644 12.9051 12.9051 k = 0.2621 0.1606 0.3007 ( 3677 PWs) bands (ev): -18.2160 -18.2160 -18.2007 -18.2007 -12.6337 -12.6337 -12.6229 -12.6229 -5.0252 -5.0252 -4.9479 -4.9479 -3.2914 -3.2914 -3.1776 -3.1776 -3.1175 -3.1175 -2.9187 -2.9187 -0.5725 -0.5725 -0.4326 -0.4326 2.5882 2.5882 2.7684 2.7684 2.8609 2.8609 3.2218 3.2218 3.3497 3.3497 3.7393 3.7393 7.8073 7.8073 9.4687 9.4687 9.7673 9.7673 10.0632 10.0632 12.3963 12.3963 12.9466 12.9466 k = 0.2735 0.1676 0.3007 ( 3679 PWs) bands (ev): -18.2129 -18.2129 -18.1969 -18.1969 -12.6339 -12.6339 -12.6262 -12.6262 -5.0378 -5.0378 -4.9544 -4.9544 -3.3045 -3.3045 -3.1994 -3.1994 -3.1357 -3.1357 -2.9261 -2.9261 -0.5686 -0.5686 -0.4269 -0.4269 2.6137 2.6137 2.7841 2.7841 2.8894 2.8894 3.2009 3.2009 3.3368 3.3368 3.7491 3.7491 7.7650 7.7650 9.5113 9.5113 9.8163 9.8163 10.0543 10.0543 12.4248 12.4248 12.9888 12.9888 k = 0.2849 0.1746 0.3007 ( 3682 PWs) bands (ev): -18.2097 -18.2097 -18.1931 -18.1931 -12.6340 -12.6340 -12.6297 -12.6297 -5.0507 -5.0507 -4.9602 -4.9602 -3.3174 -3.3174 -3.2239 -3.2239 -3.1507 -3.1507 -2.9329 -2.9329 -0.5647 -0.5647 -0.4215 -0.4215 2.6406 2.6406 2.7989 2.7989 2.9166 2.9166 3.1777 3.1777 3.3255 3.3255 3.7589 3.7589 7.7254 7.7254 9.5553 9.5553 9.8659 9.8659 10.0421 10.0421 12.4495 12.4495 13.0311 13.0311 k = 0.2963 0.1815 0.3007 ( 3683 PWs) bands (ev): -18.2067 -18.2067 -18.1893 -18.1893 -12.6340 -12.6340 -12.6330 -12.6330 -5.0639 -5.0639 -4.9655 -4.9655 -3.3300 -3.3300 -3.2501 -3.2501 -3.1631 -3.1631 -2.9393 -2.9393 -0.5608 -0.5608 -0.4164 -0.4164 2.6686 2.6686 2.8129 2.8129 2.9416 2.9416 3.1526 3.1526 3.3165 3.3165 3.7689 3.7689 7.6884 7.6884 9.6001 9.6001 9.9158 9.9158 10.0270 10.0270 12.4703 12.4703 13.0733 13.0733 k = 0.3077 0.1885 0.3007 ( 3680 PWs) bands (ev): -18.2037 -18.2037 -18.1856 -18.1856 -12.6369 -12.6369 -12.6335 -12.6335 -5.0773 -5.0773 -4.9702 -4.9702 -3.3425 -3.3425 -3.2773 -3.2773 -3.1734 -3.1734 -2.9450 -2.9450 -0.5568 -0.5568 -0.4115 -0.4115 2.6970 2.6970 2.8264 2.8264 2.9637 2.9637 3.1257 3.1257 3.3107 3.3107 3.7789 3.7789 7.6542 7.6542 9.6451 9.6451 9.9654 9.9654 10.0100 10.0100 12.4871 12.4871 13.1158 13.1158 k = 0.3191 0.1955 0.3007 ( 3680 PWs) bands (ev): -18.2008 -18.2008 -18.1819 -18.1819 -12.6406 -12.6406 -12.6332 -12.6332 -5.0909 -5.0909 -4.9742 -4.9742 -3.3550 -3.3550 -3.3045 -3.3045 -3.1822 -3.1822 -2.9501 -2.9501 -0.5529 -0.5529 -0.4068 -0.4068 2.7248 2.7248 2.8398 2.8398 2.9819 2.9819 3.0973 3.0973 3.3090 3.3090 3.7890 3.7890 7.6228 7.6228 9.6892 9.6892 9.9907 9.9907 10.0160 10.0160 12.5000 12.5000 13.1591 13.1591 k = 0.3304 0.2025 0.3007 ( 3681 PWs) bands (ev): -18.1981 -18.1981 -18.1784 -18.1784 -12.6442 -12.6442 -12.6328 -12.6328 -5.1045 -5.1045 -4.9777 -4.9777 -3.3678 -3.3678 -3.3310 -3.3310 -3.1897 -3.1897 -2.9544 -2.9544 -0.5489 -0.5489 -0.4023 -0.4023 2.7505 2.7505 2.8539 2.8539 2.9955 2.9955 3.0682 3.0682 3.3120 3.3120 3.7991 3.7991 7.5943 7.5943 9.7298 9.7298 9.9745 9.9745 10.0644 10.0644 12.5091 12.5091 13.2034 13.2034 k = 0.3418 0.2095 0.3007 ( 3677 PWs) bands (ev): -18.1955 -18.1955 -18.1749 -18.1749 -12.6478 -12.6478 -12.6322 -12.6322 -5.1181 -5.1181 -4.9805 -4.9805 -3.3820 -3.3820 -3.3553 -3.3553 -3.1960 -3.1960 -2.9580 -2.9580 -0.5450 -0.5450 -0.3980 -0.3980 2.7722 2.7722 2.8696 2.8696 3.0037 3.0037 3.0398 3.0398 3.3201 3.3201 3.8093 3.8093 7.5687 7.5687 9.7625 9.7625 9.9640 9.9640 10.1123 10.1123 12.5147 12.5147 13.2491 13.2491 k = 0.3532 0.2165 0.3007 ( 3680 PWs) bands (ev): -18.1930 -18.1930 -18.1715 -18.1715 -12.6514 -12.6514 -12.6316 -12.6316 -5.1316 -5.1316 -4.9828 -4.9828 -3.4002 -3.4002 -3.3746 -3.3746 -3.2013 -3.2013 -2.9607 -2.9607 -0.5410 -0.5410 -0.3940 -0.3940 2.7879 2.7879 2.8864 2.8864 3.0020 3.0020 3.0188 3.0188 3.3330 3.3330 3.8193 3.8193 7.5462 7.5462 9.7796 9.7796 9.9671 9.9671 10.1588 10.1588 12.5169 12.5169 13.2962 13.2962 k = 0.3646 0.2234 0.3007 ( 3675 PWs) bands (ev): -18.1907 -18.1907 -18.1683 -18.1683 -12.6549 -12.6549 -12.6309 -12.6309 -5.1449 -5.1449 -4.9845 -4.9845 -3.4224 -3.4224 -3.3887 -3.3887 -3.2057 -3.2057 -2.9626 -2.9626 -0.5371 -0.5371 -0.3901 -0.3901 2.7968 2.7968 2.9002 2.9002 2.9846 2.9846 3.0170 3.0170 3.3502 3.3502 3.8293 3.8293 7.5267 7.5267 9.7765 9.7765 9.9885 9.9885 10.2037 10.2037 12.5164 12.5164 13.3449 13.3449 k = 0.3760 0.2304 0.3007 ( 3670 PWs) bands (ev): -18.1887 -18.1887 -18.1652 -18.1652 -12.6583 -12.6583 -12.6301 -12.6301 -5.1579 -5.1579 -4.9856 -4.9856 -3.4461 -3.4461 -3.3999 -3.3999 -3.2091 -3.2091 -2.9635 -2.9635 -0.5332 -0.5332 -0.3865 -0.3865 2.7986 2.7986 2.9012 2.9012 2.9738 2.9738 3.0228 3.0228 3.3707 3.3707 3.8392 3.8392 7.5104 7.5104 9.7575 9.7575 10.0239 10.0239 10.2464 10.2464 12.5133 12.5133 13.3947 13.3947 k = 0.3874 0.2374 0.3007 ( 3664 PWs) bands (ev): -18.1868 -18.1868 -18.1622 -18.1622 -12.6616 -12.6616 -12.6293 -12.6293 -5.1706 -5.1706 -4.9861 -4.9861 -3.4695 -3.4695 -3.4096 -3.4096 -3.2118 -3.2118 -2.9635 -2.9635 -0.5293 -0.5293 -0.3830 -0.3830 2.7929 2.7929 2.8887 2.8887 2.9695 2.9695 3.0386 3.0386 3.3934 3.3934 3.8488 3.8488 7.4971 7.4971 9.7292 9.7292 10.0664 10.0664 10.2867 10.2867 12.5082 12.5082 13.4456 13.4456 k = 0.3988 0.2444 0.3007 ( 3668 PWs) bands (ev): -18.1852 -18.1852 -18.1594 -18.1594 -12.6646 -12.6646 -12.6285 -12.6285 -5.1829 -5.1829 -4.9861 -4.9861 -3.4922 -3.4922 -3.4183 -3.4183 -3.2136 -3.2136 -2.9626 -2.9626 -0.5255 -0.5255 -0.3797 -0.3797 2.7785 2.7785 2.8734 2.8734 2.9629 2.9629 3.0640 3.0640 3.4175 3.4175 3.8582 3.8582 7.4871 7.4871 9.6956 9.6956 10.1120 10.1120 10.3240 10.3240 12.5014 12.5014 13.4970 13.4970 k = 0.4102 0.2514 0.3007 ( 3666 PWs) bands (ev): -18.1838 -18.1838 -18.1568 -18.1568 -12.6675 -12.6675 -12.6276 -12.6276 -5.1947 -5.1947 -4.9855 -4.9855 -3.5137 -3.5137 -3.4261 -3.4261 -3.2148 -3.2148 -2.9607 -2.9607 -0.5216 -0.5216 -0.3766 -0.3766 2.7561 2.7561 2.8609 2.8609 2.9530 2.9530 3.0950 3.0950 3.4424 3.4424 3.8672 3.8672 7.4803 7.4803 9.6590 9.6590 10.1583 10.1583 10.3581 10.3581 12.4934 12.4934 13.5488 13.5488 k = 0.4216 0.2583 0.3007 ( 3662 PWs) bands (ev): -18.1827 -18.1827 -18.1543 -18.1543 -12.6702 -12.6702 -12.6267 -12.6267 -5.2058 -5.2058 -4.9845 -4.9845 -3.5340 -3.5340 -3.4332 -3.4332 -3.2152 -3.2152 -2.9579 -2.9579 -0.5178 -0.5178 -0.3736 -0.3736 2.7282 2.7282 2.8512 2.8512 2.9409 2.9409 3.1284 3.1284 3.4674 3.4674 3.8757 3.8757 7.4767 7.4767 9.6204 9.6204 10.2039 10.2039 10.3885 10.3885 12.4846 12.4846 13.6004 13.6004 k = 0.4330 0.2653 0.3007 ( 3665 PWs) bands (ev): -18.1818 -18.1818 -18.1520 -18.1520 -12.6726 -12.6726 -12.6259 -12.6259 -5.2164 -5.2164 -4.9829 -4.9829 -3.5528 -3.5528 -3.4395 -3.4395 -3.2150 -3.2150 -2.9542 -2.9542 -0.5140 -0.5140 -0.3709 -0.3709 2.6972 2.6972 2.8428 2.8428 2.9275 2.9275 3.1626 3.1626 3.4921 3.4921 3.8836 3.8836 7.4763 7.4763 9.5805 9.5805 10.2479 10.2479 10.4149 10.4149 12.4755 12.4755 13.6515 13.6515 k = 0.4444 0.2723 0.3007 ( 3665 PWs) bands (ev): -18.1812 -18.1812 -18.1499 -18.1499 -12.6747 -12.6747 -12.6251 -12.6251 -5.2262 -5.2262 -4.9808 -4.9808 -3.5702 -3.5702 -3.4449 -3.4449 -3.2141 -3.2141 -2.9496 -2.9496 -0.5103 -0.5103 -0.3683 -0.3683 2.6649 2.6649 2.8347 2.8347 2.9134 2.9134 3.1969 3.1969 3.5161 3.5161 3.8909 3.8909 7.4792 7.4792 9.5399 9.5399 10.2895 10.2895 10.4369 10.4369 12.4665 12.4665 13.7015 13.7015 k = 0.4558 0.2793 0.3007 ( 3667 PWs) bands (ev): -18.1809 -18.1809 -18.1480 -18.1480 -12.6765 -12.6765 -12.6243 -12.6243 -5.2352 -5.2352 -4.9783 -4.9783 -3.5859 -3.5859 -3.4496 -3.4496 -3.2125 -3.2125 -2.9442 -2.9442 -0.5066 -0.5066 -0.3659 -0.3659 2.6323 2.6323 2.8263 2.8263 2.8989 2.8989 3.2306 3.2306 3.5394 3.5394 3.8975 3.8975 7.4853 7.4853 9.4988 9.4988 10.3280 10.3280 10.4543 10.4543 12.4580 12.4580 13.7493 13.7493 k = 0.4672 0.2863 0.3007 ( 3662 PWs) bands (ev): -18.1809 -18.1809 -18.1462 -18.1462 -12.6780 -12.6780 -12.6236 -12.6236 -5.2433 -5.2433 -4.9754 -4.9754 -3.6001 -3.6001 -3.4534 -3.4534 -3.2104 -3.2104 -2.9382 -2.9382 -0.5029 -0.5029 -0.3637 -0.3637 2.6002 2.6002 2.8174 2.8174 2.8843 2.8843 3.2634 3.2634 3.5615 3.5615 3.9032 3.9032 7.4947 7.4947 9.4577 9.4577 10.3627 10.3627 10.4668 10.4668 12.4507 12.4507 13.7924 13.7924 k = 0.5000 0.3064-0.1558 ( 3682 PWs) bands (ev): -18.1901 -18.1901 -18.1347 -18.1347 -12.6913 -12.6913 -12.6111 -12.6111 -5.3178 -5.3178 -4.9087 -4.9087 -3.7193 -3.7193 -3.5139 -3.5139 -3.1201 -3.1201 -2.7628 -2.7628 -0.5783 -0.5783 -0.3932 -0.3932 2.3375 2.3375 2.8994 2.8994 3.0597 3.0597 3.3193 3.3193 3.5426 3.5426 3.8840 3.8840 7.2859 7.2859 9.8565 9.8565 10.4913 10.4913 10.5287 10.5287 11.9950 11.9950 13.7360 13.7360 k = 0.5068 0.2953-0.1558 ( 3680 PWs) bands (ev): -18.1901 -18.1901 -18.1347 -18.1347 -12.6912 -12.6912 -12.6112 -12.6112 -5.3176 -5.3176 -4.9092 -4.9092 -3.7189 -3.7189 -3.5137 -3.5137 -3.1211 -3.1211 -2.7641 -2.7641 -0.5772 -0.5772 -0.3917 -0.3917 2.3375 2.3375 2.8963 2.8963 3.0567 3.0567 3.3241 3.3241 3.5426 3.5426 3.8847 3.8847 7.2888 7.2888 9.8573 9.8573 10.4889 10.4889 10.5271 10.5271 11.9974 11.9974 13.7368 13.7368 k = 0.5136 0.2842-0.1558 ( 3680 PWs) bands (ev): -18.1900 -18.1900 -18.1348 -18.1348 -12.6910 -12.6910 -12.6114 -12.6114 -5.3167 -5.3167 -4.9109 -4.9109 -3.7176 -3.7176 -3.5131 -3.5131 -3.1240 -3.1240 -2.7677 -2.7677 -0.5739 -0.5739 -0.3872 -0.3872 2.3376 2.3376 2.8873 2.8873 3.0485 3.0485 3.3375 3.3375 3.5427 3.5427 3.8867 3.8867 7.2977 7.2977 9.8595 9.8595 10.4816 10.4816 10.5224 10.5224 12.0048 12.0048 13.7394 13.7394 k = 0.5204 0.2731-0.1558 ( 3676 PWs) bands (ev): -18.1898 -18.1898 -18.1348 -18.1348 -12.6906 -12.6906 -12.6117 -12.6117 -5.3153 -5.3153 -4.9137 -4.9137 -3.7155 -3.7155 -3.5120 -3.5120 -3.1287 -3.1287 -2.7738 -2.7738 -0.5686 -0.5686 -0.3797 -0.3797 2.3376 2.3376 2.8732 2.8732 3.0365 3.0365 3.3573 3.3573 3.5430 3.5430 3.8900 3.8900 7.3123 7.3123 9.8632 9.8632 10.4698 10.4698 10.5146 10.5146 12.0168 12.0168 13.7434 13.7434 k = 0.5272 0.2620-0.1558 ( 3678 PWs) bands (ev): -18.1896 -18.1896 -18.1349 -18.1349 -12.6901 -12.6901 -12.6122 -12.6122 -5.3134 -5.3134 -4.9176 -4.9176 -3.7126 -3.7126 -3.5105 -3.5105 -3.1353 -3.1353 -2.7820 -2.7820 -0.5614 -0.5614 -0.3694 -0.3694 2.3377 2.3377 2.8550 2.8550 3.0219 3.0219 3.3808 3.3808 3.5442 3.5442 3.8942 3.8942 7.3328 7.3328 9.8682 9.8682 10.4534 10.4534 10.5041 10.5041 12.0332 12.0332 13.7483 13.7483 k = 0.5340 0.2509-0.1558 ( 3680 PWs) bands (ev): -18.1893 -18.1893 -18.1350 -18.1350 -12.6895 -12.6895 -12.6129 -12.6129 -5.3110 -5.3110 -4.9225 -4.9225 -3.7089 -3.7089 -3.5086 -3.5086 -3.1437 -3.1437 -2.7921 -2.7921 -0.5525 -0.5525 -0.3565 -0.3565 2.3377 2.3377 2.8340 2.8340 3.0058 3.0058 3.4054 3.4054 3.5471 3.5471 3.8991 3.8991 7.3591 7.3591 9.8743 9.8743 10.4330 10.4330 10.4911 10.4911 12.0535 12.0535 13.7524 13.7524 k = 0.5408 0.2398-0.1558 ( 3680 PWs) bands (ev): -18.1889 -18.1889 -18.1352 -18.1352 -12.6887 -12.6887 -12.6136 -12.6136 -5.3080 -5.3080 -4.9285 -4.9285 -3.7045 -3.7045 -3.5064 -3.5064 -3.1537 -3.1537 -2.8039 -2.8039 -0.5421 -0.5421 -0.3412 -0.3412 2.3378 2.3378 2.8114 2.8114 2.9885 2.9885 3.4285 3.4285 3.5532 3.5532 3.9043 3.9043 7.3910 7.3910 9.8811 9.8811 10.4088 10.4088 10.4760 10.4760 12.0774 12.0774 13.7519 13.7519 k = 0.5476 0.2288-0.1558 ( 3676 PWs) bands (ev): -18.1886 -18.1886 -18.1354 -18.1354 -12.6878 -12.6878 -12.6145 -12.6145 -5.3045 -5.3045 -4.9354 -4.9354 -3.6994 -3.6994 -3.5038 -3.5038 -3.1651 -3.1651 -2.8171 -2.8171 -0.5304 -0.5304 -0.3239 -0.3239 2.3379 2.3379 2.7882 2.7882 2.9705 2.9705 3.4472 3.4472 3.5643 3.5643 3.9096 3.9096 7.4284 7.4284 9.8885 9.8885 10.3813 10.3813 10.4593 10.4593 12.1042 12.1042 13.7384 13.7384 k = 0.5544 0.2177-0.1558 ( 3672 PWs) bands (ev): -18.1881 -18.1881 -18.1356 -18.1356 -12.6868 -12.6868 -12.6155 -12.6155 -5.3004 -5.3004 -4.9433 -4.9433 -3.6937 -3.6937 -3.5009 -3.5009 -3.1778 -3.1778 -2.8314 -2.8314 -0.5179 -0.5179 -0.3050 -0.3050 2.3380 2.3380 2.7654 2.7654 2.9521 2.9521 3.4598 3.4598 3.5815 3.5815 3.9146 3.9146 7.4714 7.4714 9.8958 9.8958 10.3509 10.3509 10.4416 10.4416 12.1334 12.1334 13.7056 13.7056 k = 0.5612 0.2066-0.1558 ( 3674 PWs) bands (ev): -18.1876 -18.1876 -18.1358 -18.1358 -12.6857 -12.6857 -12.6166 -12.6166 -5.2959 -5.2959 -4.9520 -4.9520 -3.6874 -3.6874 -3.4977 -3.4977 -3.1915 -3.1915 -2.8464 -2.8464 -0.5046 -0.5046 -0.2847 -0.2847 2.3382 2.3382 2.7437 2.7437 2.9334 2.9334 3.4664 3.4664 3.6040 3.6040 3.9190 3.9190 7.5197 7.5197 9.9024 9.9024 10.3181 10.3181 10.4235 10.4235 12.1645 12.1645 13.6573 13.6573 k = 0.5680 0.1955-0.1558 ( 3672 PWs) bands (ev): -18.1871 -18.1871 -18.1361 -18.1361 -12.6844 -12.6844 -12.6177 -12.6177 -5.2909 -5.2909 -4.9615 -4.9615 -3.6807 -3.6807 -3.4945 -3.4945 -3.2059 -3.2059 -2.8620 -2.8620 -0.4909 -0.4909 -0.2636 -0.2636 2.3386 2.3386 2.7235 2.7235 2.9148 2.9148 3.4687 3.4687 3.6298 3.6298 3.9227 3.9227 7.5732 7.5732 9.9076 9.9076 10.2831 10.2831 10.4062 10.4062 12.1967 12.1967 13.5982 13.5982 k = 0.5748 0.1844-0.1558 ( 3672 PWs) bands (ev): -18.1866 -18.1866 -18.1364 -18.1364 -12.6831 -12.6831 -12.6190 -12.6190 -5.2854 -5.2854 -4.9718 -4.9718 -3.6737 -3.6737 -3.4913 -3.4913 -3.2206 -3.2206 -2.8777 -2.8777 -0.4769 -0.4769 -0.2421 -0.2421 2.3391 2.3391 2.7053 2.7053 2.8966 2.8966 3.4682 3.4682 3.6569 3.6569 3.9254 3.9254 7.6317 7.6317 9.9105 9.9105 10.2464 10.2464 10.3905 10.3905 12.2295 12.2295 13.5313 13.5313 k = 0.5815 0.1733-0.1558 ( 3672 PWs) bands (ev): -18.1861 -18.1861 -18.1368 -18.1368 -12.6817 -12.6817 -12.6202 -12.6202 -5.2794 -5.2794 -4.9827 -4.9827 -3.6665 -3.6665 -3.4884 -3.4884 -3.2349 -3.2349 -2.8935 -2.8935 -0.4630 -0.4630 -0.2206 -0.2206 2.3400 2.3400 2.6893 2.6893 2.8793 2.8793 3.4660 3.4660 3.6839 3.6839 3.9270 3.9270 7.6952 7.6952 9.9100 9.9100 10.2083 10.2083 10.3777 10.3777 12.2622 12.2622 13.4583 13.4583 k = 0.5883 0.1622-0.1558 ( 3668 PWs) bands (ev): -18.1855 -18.1855 -18.1373 -18.1373 -12.6802 -12.6802 -12.6216 -12.6216 -5.2730 -5.2730 -4.9941 -4.9941 -3.6593 -3.6593 -3.4859 -3.4859 -3.2485 -3.2485 -2.9091 -2.9091 -0.4493 -0.4493 -0.1996 -0.1996 2.3414 2.3414 2.6758 2.6758 2.8629 2.8629 3.4626 3.4626 3.7098 3.7098 3.9275 3.9275 7.7633 7.7633 9.9050 9.9050 10.1692 10.1692 10.3689 10.3689 12.2942 12.2942 13.3811 13.3811 k = 0.5951 0.1511-0.1558 ( 3670 PWs) bands (ev): -18.1849 -18.1849 -18.1377 -18.1377 -12.6786 -12.6786 -12.6229 -12.6229 -5.2662 -5.2662 -5.0059 -5.0059 -3.6525 -3.6525 -3.4841 -3.4841 -3.2605 -3.2605 -2.9243 -2.9243 -0.4361 -0.4361 -0.1795 -0.1795 2.3433 2.3433 2.6648 2.6648 2.8480 2.8480 3.4584 3.4584 3.7338 3.7338 3.9271 3.9271 7.8359 7.8359 9.8950 9.8950 10.1293 10.1293 10.3649 10.3649 12.3248 12.3248 13.3007 13.3007 k = 0.6019 0.1400-0.1558 ( 3666 PWs) bands (ev): -18.1844 -18.1844 -18.1383 -18.1383 -12.6770 -12.6770 -12.6243 -12.6243 -5.2590 -5.2590 -5.0181 -5.0181 -3.6463 -3.6463 -3.4832 -3.4832 -3.2702 -3.2702 -2.9390 -2.9390 -0.4235 -0.4235 -0.1606 -0.1606 2.3461 2.3461 2.6563 2.6563 2.8347 2.8347 3.4536 3.4536 3.7550 3.7550 3.9259 3.9259 7.9128 7.9128 9.8793 9.8793 10.0888 10.0888 10.3663 10.3663 12.3533 12.3533 13.2185 13.2185 k = 0.6087 0.1289-0.1558 ( 3660 PWs) bands (ev): -18.1839 -18.1839 -18.1388 -18.1388 -12.6754 -12.6754 -12.6257 -12.6257 -5.2515 -5.2515 -5.0306 -5.0306 -3.6411 -3.6411 -3.4831 -3.4831 -3.2771 -3.2771 -2.9532 -2.9532 -0.4117 -0.4117 -0.1434 -0.1434 2.3498 2.3498 2.6504 2.6504 2.8233 2.8233 3.4483 3.4483 3.7727 3.7727 3.9246 3.9246 7.9938 7.9938 9.8582 9.8582 10.0480 10.0480 10.3731 10.3731 12.3791 12.3791 13.1353 13.1353 k = 0.6155 0.1179-0.1558 ( 3671 PWs) bands (ev): -18.1835 -18.1835 -18.1395 -18.1395 -12.6737 -12.6737 -12.6270 -12.6270 -5.2436 -5.2436 -5.0431 -5.0431 -3.6376 -3.6376 -3.4836 -3.4836 -3.2806 -3.2806 -2.9667 -2.9667 -0.4008 -0.4008 -0.1279 -0.1279 2.3544 2.3544 2.6469 2.6469 2.8141 2.8141 3.4427 3.4427 3.7858 3.7858 3.9237 3.9237 8.0786 8.0786 9.8321 9.8321 10.0071 10.0071 10.3848 10.3848 12.4016 12.4016 13.0519 13.0519 k = 0.6223 0.1068-0.1558 ( 3663 PWs) bands (ev): -18.1831 -18.1831 -18.1402 -18.1402 -12.6720 -12.6720 -12.6283 -12.6283 -5.2356 -5.2356 -5.0556 -5.0556 -3.6363 -3.6363 -3.4841 -3.4841 -3.2806 -3.2806 -2.9795 -2.9795 -0.3910 -0.3910 -0.1146 -0.1146 2.3601 2.3601 2.6457 2.6457 2.8072 2.8072 3.4368 3.4368 3.7935 3.7935 3.9242 3.9242 8.1670 8.1670 9.8017 9.8017 9.9664 9.9664 10.4008 10.4008 12.4203 12.4203 12.9692 12.9692 k = 0.6291 0.0957-0.1558 ( 3661 PWs) bands (ev): -18.1827 -18.1827 -18.1409 -18.1409 -12.6703 -12.6703 -12.6296 -12.6296 -5.2273 -5.2273 -5.0679 -5.0679 -3.6379 -3.6379 -3.4837 -3.4837 -3.2772 -3.2772 -2.9915 -2.9915 -0.3825 -0.3825 -0.1035 -0.1035 2.3669 2.3669 2.6468 2.6468 2.8029 2.8029 3.4306 3.4306 3.7950 3.7950 3.9265 3.9265 8.2586 8.2586 9.7679 9.7679 9.9259 9.9259 10.4202 10.4202 12.4347 12.4347 12.8875 12.8875 k = 0.6359 0.0846-0.1558 ( 3663 PWs) bands (ev): -18.1825 -18.1825 -18.1416 -18.1416 -12.6686 -12.6686 -12.6307 -12.6307 -5.2190 -5.2190 -5.0798 -5.0798 -3.6426 -3.6426 -3.4816 -3.4816 -3.2707 -3.2707 -3.0028 -3.0028 -0.3751 -0.3751 -0.0947 -0.0947 2.3746 2.3746 2.6501 2.6501 2.8012 2.8012 3.4242 3.4242 3.7904 3.7904 3.9305 3.9305 8.3533 8.3533 9.7312 9.7312 9.8859 9.8859 10.4425 10.4425 12.4446 12.4446 12.8073 12.8073 k = 0.6427 0.0735-0.1558 ( 3661 PWs) bands (ev): -18.1824 -18.1824 -18.1425 -18.1425 -12.6669 -12.6669 -12.6318 -12.6318 -5.2109 -5.2109 -5.0911 -5.0911 -3.6503 -3.6503 -3.4774 -3.4774 -3.2617 -3.2617 -3.0133 -3.0133 -0.3691 -0.3691 -0.0883 -0.0883 2.3832 2.3832 2.6553 2.6553 2.8022 2.8022 3.4176 3.4176 3.7806 3.7806 3.9355 3.9355 8.4505 8.4505 9.6925 9.6925 9.8464 9.8464 10.4667 10.4667 12.4497 12.4497 12.7291 12.7291 k = 0.6495 0.0624-0.1558 ( 3659 PWs) bands (ev): -18.1824 -18.1824 -18.1433 -18.1433 -12.6653 -12.6653 -12.6328 -12.6328 -5.2031 -5.2031 -5.1014 -5.1014 -3.6605 -3.6605 -3.4710 -3.4710 -3.2505 -3.2505 -3.0229 -3.0229 -0.3644 -0.3644 -0.0842 -0.0842 2.3924 2.3924 2.6623 2.6623 2.8061 2.8061 3.4108 3.4108 3.7665 3.7665 3.9406 3.9406 8.5501 8.5501 9.6523 9.6523 9.8077 9.8077 10.4925 10.4925 12.4499 12.4499 12.6532 12.6532 k = 0.3505-0.5720-0.0000 ( 3659 PWs) bands (ev): -18.1824 -18.1824 -18.1433 -18.1433 -12.6653 -12.6653 -12.6328 -12.6328 -5.2031 -5.2031 -5.1014 -5.1014 -3.6605 -3.6605 -3.4710 -3.4710 -3.2505 -3.2505 -3.0229 -3.0229 -0.3644 -0.3644 -0.0842 -0.0842 2.3924 2.3924 2.6623 2.6623 2.8061 2.8061 3.4108 3.4108 3.7665 3.7665 3.9406 3.9406 8.5501 8.5501 9.6523 9.6523 9.8077 9.8077 10.4925 10.4925 12.4499 12.4499 12.6532 12.6532 k = 0.3436-0.5608-0.0000 ( 3653 PWs) bands (ev): -18.1826 -18.1826 -18.1441 -18.1441 -12.6637 -12.6637 -12.6336 -12.6336 -5.1961 -5.1961 -5.1102 -5.1102 -3.6727 -3.6727 -3.4626 -3.4626 -3.2373 -3.2373 -3.0318 -3.0318 -0.3610 -0.3610 -0.0824 -0.0824 2.4022 2.4022 2.6712 2.6712 2.8128 2.8128 3.4037 3.4037 3.7487 3.7487 3.9451 3.9451 8.6528 8.6528 9.6106 9.6106 9.7695 9.7695 10.5194 10.5194 12.4451 12.4451 12.5791 12.5791 k = 0.3367-0.5496-0.0000 ( 3659 PWs) bands (ev): -18.1829 -18.1829 -18.1450 -18.1450 -12.6621 -12.6621 -12.6343 -12.6343 -5.1908 -5.1908 -5.1167 -5.1167 -3.6860 -3.6860 -3.4525 -3.4525 -3.2227 -3.2227 -3.0397 -3.0397 -0.3589 -0.3589 -0.0828 -0.0828 2.4120 2.4120 2.6815 2.6815 2.8224 2.8224 3.3964 3.3964 3.7281 3.7281 3.9485 3.9485 8.7570 8.7570 9.5682 9.5682 9.7322 9.7322 10.5468 10.5468 12.4352 12.4352 12.5082 12.5082 k = 0.3299-0.5383-0.0000 ( 3659 PWs) bands (ev): -18.1835 -18.1835 -18.1459 -18.1459 -12.6607 -12.6607 -12.6348 -12.6348 -5.1881 -5.1881 -5.1197 -5.1197 -3.6999 -3.6999 -3.4411 -3.4411 -3.2070 -3.2070 -3.0468 -3.0468 -0.3581 -0.3581 -0.0852 -0.0852 2.4219 2.4219 2.6932 2.6932 2.8348 2.8348 3.3889 3.3889 3.7052 3.7052 3.9505 3.9505 8.8623 8.8623 9.5255 9.5255 9.6960 9.6960 10.5741 10.5741 12.4176 12.4176 12.4434 12.4434 k = 0.3230-0.5271-0.0000 ( 3663 PWs) bands (ev): -18.1843 -18.1843 -18.1467 -18.1467 -12.6593 -12.6593 -12.6352 -12.6352 -5.1885 -5.1885 -5.1187 -5.1187 -3.7137 -3.7137 -3.4285 -3.4285 -3.1906 -3.1906 -3.0528 -3.0528 -0.3584 -0.3584 -0.0895 -0.0895 2.4314 2.4314 2.7058 2.7058 2.8497 2.8497 3.3812 3.3812 3.6806 3.6806 3.9510 3.9510 8.9681 8.9681 9.4828 9.4828 9.6610 9.6610 10.6010 10.6010 12.3694 12.3694 12.4085 12.4085 k = 0.3161-0.5159-0.0000 ( 3669 PWs) bands (ev): -18.1853 -18.1853 -18.1476 -18.1476 -12.6580 -12.6580 -12.6354 -12.6354 -5.1916 -5.1916 -5.1141 -5.1141 -3.7271 -3.7271 -3.4151 -3.4151 -3.1737 -3.1737 -3.0576 -3.0576 -0.3598 -0.3598 -0.0954 -0.0954 2.4405 2.4405 2.7190 2.7190 2.8668 2.8668 3.3733 3.3733 3.6548 3.6548 3.9499 3.9499 9.0738 9.0738 9.4404 9.4404 9.6273 9.6273 10.6270 10.6270 12.3088 12.3088 12.3856 12.3856 k = 0.3093-0.5047-0.0000 ( 3673 PWs) bands (ev): -18.1866 -18.1866 -18.1484 -18.1484 -12.6568 -12.6568 -12.6353 -12.6353 -5.1964 -5.1964 -5.1068 -5.1068 -3.7397 -3.7397 -3.4009 -3.4009 -3.1569 -3.1569 -3.0610 -3.0610 -0.3622 -0.3622 -0.1027 -0.1027 2.4490 2.4490 2.7325 2.7325 2.8860 2.8860 3.3649 3.3649 3.6282 3.6282 3.9474 3.9474 9.1787 9.1787 9.3985 9.3985 9.5949 9.5949 10.6519 10.6519 12.2507 12.2507 12.3606 12.3606 k = 0.3024-0.4935-0.0000 ( 3675 PWs) bands (ev): -18.1881 -18.1881 -18.1491 -18.1491 -12.6557 -12.6557 -12.6351 -12.6351 -5.2019 -5.2019 -5.0978 -5.0978 -3.7513 -3.7513 -3.3862 -3.3862 -3.1407 -3.1407 -3.0626 -3.0626 -0.3654 -0.3654 -0.1112 -0.1112 2.4569 2.4569 2.7458 2.7458 2.9067 2.9067 3.3562 3.3562 3.6014 3.6014 3.9437 3.9437 9.2816 9.2816 9.3578 9.3578 9.5640 9.5640 10.6751 10.6751 12.1959 12.1959 12.3332 12.3332 k = 0.2955-0.4823-0.0000 ( 3675 PWs) bands (ev): -18.1900 -18.1900 -18.1499 -18.1499 -12.6547 -12.6547 -12.6346 -12.6346 -5.2074 -5.2074 -5.0878 -5.0878 -3.7616 -3.7616 -3.3709 -3.3709 -3.1261 -3.1261 -3.0614 -3.0614 -0.3694 -0.3694 -0.1207 -0.1207 2.4641 2.4641 2.7585 2.7585 2.9283 2.9283 3.3468 3.3468 3.5750 3.5750 3.9388 3.9388 9.3152 9.3152 9.3847 9.3847 9.5350 9.5350 10.6963 10.6963 12.1449 12.1449 12.3036 12.3036 k = 0.2886-0.4710-0.0000 ( 3675 PWs) bands (ev): -18.1920 -18.1920 -18.1506 -18.1506 -12.6539 -12.6539 -12.6339 -12.6339 -5.2125 -5.2125 -5.0771 -5.0771 -3.7706 -3.7706 -3.3553 -3.3553 -3.1145 -3.1145 -3.0564 -3.0564 -0.3739 -0.3739 -0.1308 -0.1308 2.4706 2.4706 2.7701 2.7701 2.9503 2.9503 3.3368 3.3368 3.5497 3.5497 3.9330 3.9330 9.2764 9.2764 9.4759 9.4759 9.5134 9.5134 10.7153 10.7153 12.0977 12.0977 12.2723 12.2723 k = 0.2818-0.4598-0.0000 ( 3681 PWs) bands (ev): -18.1944 -18.1944 -18.1512 -18.1512 -12.6532 -12.6532 -12.6330 -12.6330 -5.2169 -5.2169 -5.0659 -5.0659 -3.7780 -3.7780 -3.3393 -3.3393 -3.1066 -3.1066 -3.0469 -3.0469 -0.3788 -0.3788 -0.1415 -0.1415 2.4764 2.4764 2.7803 2.7803 2.9717 2.9717 3.3260 3.3260 3.5264 3.5264 3.9266 3.9266 9.2381 9.2381 9.4755 9.4755 9.5815 9.5815 10.7318 10.7318 12.0547 12.0547 12.2396 12.2396 k = 0.2749-0.4486-0.0000 ( 3679 PWs) bands (ev): -18.1970 -18.1970 -18.1519 -18.1519 -12.6527 -12.6527 -12.6318 -12.6318 -5.2206 -5.2206 -5.0544 -5.0544 -3.7838 -3.7838 -3.3231 -3.3231 -3.1018 -3.1018 -3.0336 -3.0336 -0.3841 -0.3841 -0.1524 -0.1524 2.4816 2.4816 2.7884 2.7884 2.9916 2.9916 3.3146 3.3146 3.5058 3.5058 3.9197 3.9197 9.2009 9.2009 9.4512 9.4512 9.6702 9.6702 10.7454 10.7454 12.0160 12.0160 12.2061 12.2061 k = 0.2680-0.4374-0.0000 ( 3683 PWs) bands (ev): -18.1999 -18.1999 -18.1526 -18.1526 -12.6523 -12.6523 -12.6304 -12.6304 -5.2233 -5.2233 -5.0426 -5.0426 -3.7878 -3.7878 -3.3068 -3.3068 -3.0987 -3.0987 -3.0180 -3.0180 -0.3896 -0.3896 -0.1634 -0.1634 2.4860 2.4860 2.7942 2.7942 3.0087 3.0087 3.3027 3.3027 3.4888 3.4888 3.9126 3.9126 9.1651 9.1651 9.4274 9.4274 9.7538 9.7538 10.7557 10.7557 11.9816 11.9816 12.1722 12.1722 k = 0.2612-0.4262-0.0000 ( 3689 PWs) bands (ev): -18.2030 -18.2030 -18.1532 -18.1532 -12.6521 -12.6521 -12.6287 -12.6287 -5.2250 -5.2250 -5.0308 -5.0308 -3.7900 -3.7900 -3.2904 -3.2904 -3.0961 -3.0961 -3.0015 -3.0015 -0.3952 -0.3952 -0.1743 -0.1743 2.4899 2.4899 2.7972 2.7972 3.0215 3.0215 3.2915 3.2915 3.4761 3.4761 3.9056 3.9056 9.1307 9.1307 9.4048 9.4048 9.8305 9.8305 10.7628 10.7628 11.9518 11.9518 12.1382 12.1382 k = 0.2543-0.4150-0.0000 ( 3697 PWs) bands (ev): -18.2063 -18.2063 -18.1539 -18.1539 -12.6520 -12.6520 -12.6268 -12.6268 -5.2257 -5.2257 -5.0189 -5.0189 -3.7904 -3.7904 -3.2740 -3.2740 -3.0934 -3.0934 -2.9846 -2.9846 -0.4008 -0.4008 -0.1849 -0.1849 2.4931 2.4931 2.7972 2.7972 3.0283 3.0283 3.2820 3.2820 3.4679 3.4679 3.8986 3.8986 9.0977 9.0977 9.3835 9.3835 9.8991 9.8991 10.7663 10.7663 11.9267 11.9267 12.1045 12.1045 k = 0.2474-0.4038-0.0000 ( 3693 PWs) bands (ev): -18.2098 -18.2098 -18.1546 -18.1546 -12.6521 -12.6521 -12.6247 -12.6247 -5.2254 -5.2254 -5.0070 -5.0070 -3.7890 -3.7890 -3.2577 -3.2577 -3.0903 -3.0903 -2.9679 -2.9679 -0.4064 -0.4064 -0.1952 -0.1952 2.4958 2.4958 2.7939 2.7939 3.0276 3.0276 3.2756 3.2756 3.4646 3.4646 3.8920 3.8920 9.0664 9.0664 9.3634 9.3634 9.9584 9.9584 10.7662 10.7662 11.9063 11.9063 12.0714 12.0714 k = 0.2405-0.3925-0.0000 ( 3691 PWs) bands (ev): -18.2135 -18.2135 -18.1553 -18.1553 -12.6523 -12.6523 -12.6223 -12.6223 -5.2239 -5.2239 -4.9951 -4.9951 -3.7856 -3.7856 -3.2417 -3.2417 -3.0864 -3.0864 -2.9515 -2.9515 -0.4118 -0.4118 -0.2051 -0.2051 2.4979 2.4979 2.7873 2.7873 3.0192 3.0192 3.2725 3.2725 3.4660 3.4660 3.8856 3.8856 9.0367 9.0367 9.3447 9.3447 10.0074 10.0074 10.7623 10.7623 11.8907 11.8907 12.0394 12.0394 k = 0.2337-0.3813-0.0000 ( 3691 PWs) bands (ev): -18.2174 -18.2174 -18.1561 -18.1561 -12.6527 -12.6527 -12.6197 -12.6197 -5.2214 -5.2214 -4.9833 -4.9833 -3.7803 -3.7803 -3.2259 -3.2259 -3.0817 -3.0817 -2.9357 -2.9357 -0.4171 -0.4171 -0.2144 -0.2144 2.4994 2.4994 2.7774 2.7774 3.0035 3.0035 3.2723 3.2723 3.4719 3.4719 3.8796 3.8796 9.0087 9.0087 9.3271 9.3271 10.0454 10.0454 10.7548 10.7548 11.8800 11.8800 12.0087 12.0087 k = 0.2268-0.3701-0.0000 ( 3685 PWs) bands (ev): -18.2215 -18.2215 -18.1569 -18.1569 -12.6533 -12.6533 -12.6168 -12.6168 -5.2177 -5.2177 -4.9715 -4.9715 -3.7732 -3.7732 -3.2106 -3.2106 -3.0761 -3.0761 -2.9206 -2.9206 -0.4222 -0.4222 -0.2231 -0.2231 2.5005 2.5005 2.7644 2.7644 2.9821 2.9821 3.2739 3.2739 3.4819 3.4819 3.8736 3.8736 8.9824 8.9824 9.3107 9.3107 10.0717 10.0717 10.7437 10.7437 11.8739 11.8739 11.9796 11.9796 k = 0.2199-0.3589-0.0000 ( 3695 PWs) bands (ev): -18.2256 -18.2256 -18.1577 -18.1577 -12.6540 -12.6540 -12.6138 -12.6138 -5.2130 -5.2130 -4.9600 -4.9600 -3.7641 -3.7641 -3.1958 -3.1958 -3.0695 -3.0695 -2.9062 -2.9062 -0.4270 -0.4270 -0.2312 -0.2312 2.5010 2.5010 2.7483 2.7483 2.9567 2.9567 3.2761 3.2761 3.4954 3.4954 3.8677 3.8677 8.9579 8.9579 9.2954 9.2954 10.0862 10.0862 10.7289 10.7289 11.8726 11.8726 11.9523 11.9523 k = 0.2130-0.3477-0.0000 ( 3689 PWs) bands (ev): -18.2299 -18.2299 -18.1586 -18.1586 -12.6548 -12.6548 -12.6105 -12.6105 -5.2073 -5.2073 -4.9486 -4.9486 -3.7531 -3.7531 -3.1815 -3.1815 -3.0618 -3.0618 -2.8927 -2.8927 -0.4317 -0.4317 -0.2387 -0.2387 2.5011 2.5011 2.7297 2.7297 2.9287 2.9287 3.2783 3.2783 3.5116 3.5116 3.8616 3.8616 8.9352 8.9352 9.2811 9.2811 10.0891 10.0891 10.7110 10.7110 11.8756 11.8756 11.9272 11.9272 k = 0.2062-0.3365-0.0000 ( 3685 PWs) bands (ev): -18.2343 -18.2343 -18.1596 -18.1596 -12.6558 -12.6558 -12.6071 -12.6071 -5.2006 -5.2006 -4.9374 -4.9374 -3.7403 -3.7403 -3.1677 -3.1677 -3.0530 -3.0530 -2.8801 -2.8801 -0.4361 -0.4361 -0.2456 -0.2456 2.5006 2.5006 2.7087 2.7087 2.8994 2.8994 3.2801 3.2801 3.5297 3.5297 3.8551 3.8551 8.9144 8.9144 9.2677 9.2677 10.0807 10.0807 10.6901 10.6901 11.8822 11.8822 11.9053 11.9053 k = 0.1993-0.3252-0.0000 ( 3689 PWs) bands (ev): -18.2388 -18.2388 -18.1606 -18.1606 -12.6569 -12.6569 -12.6035 -12.6035 -5.1929 -5.1929 -4.9264 -4.9264 -3.7258 -3.7258 -3.1545 -3.1545 -3.0433 -3.0433 -2.8685 -2.8685 -0.4405 -0.4405 -0.2520 -0.2520 2.4998 2.4998 2.6857 2.6857 2.8696 2.8696 3.2814 3.2814 3.5488 3.5488 3.8479 3.8479 8.8954 8.8954 9.2552 9.2552 10.0619 10.0619 10.6664 10.6664 11.8796 11.8796 11.8991 11.8991 k = 0.1924-0.3140-0.0000 ( 3695 PWs) bands (ev): -18.2434 -18.2434 -18.1616 -18.1616 -12.6581 -12.6581 -12.5997 -12.5997 -5.1844 -5.1844 -4.9157 -4.9157 -3.7094 -3.7094 -3.1418 -3.1418 -3.0327 -3.0327 -2.8578 -2.8578 -0.4447 -0.4447 -0.2581 -0.2581 2.4984 2.4984 2.6612 2.6612 2.8401 2.8401 3.2823 3.2823 3.5682 3.5682 3.8398 3.8398 8.8783 8.8783 9.2435 9.2435 10.0335 10.0335 10.6403 10.6403 11.8629 11.8629 11.9136 11.9136 k = 0.1856-0.3028-0.0000 ( 3699 PWs) bands (ev): -18.2480 -18.2480 -18.1627 -18.1627 -12.6594 -12.6594 -12.5958 -12.5958 -5.1750 -5.1750 -4.9052 -4.9052 -3.6914 -3.6914 -3.1293 -3.1293 -3.0214 -3.0214 -2.8481 -2.8481 -0.4489 -0.4489 -0.2638 -0.2638 2.4965 2.4965 2.6355 2.6355 2.8117 2.8117 3.2828 3.2828 3.5871 3.5871 3.8307 3.8307 8.8629 8.8629 9.2325 9.2325 9.9970 9.9970 10.6122 10.6122 11.8472 11.8472 11.9334 11.9334 k = 0.1787-0.2916-0.0000 ( 3693 PWs) bands (ev): -18.2526 -18.2526 -18.1638 -18.1638 -12.6609 -12.6609 -12.5917 -12.5917 -5.1648 -5.1648 -4.8951 -4.8951 -3.6718 -3.6718 -3.1171 -3.1171 -3.0094 -3.0094 -2.8394 -2.8394 -0.4531 -0.4531 -0.2694 -0.2694 2.4941 2.4941 2.6092 2.6092 2.7850 2.7850 3.2831 3.2831 3.6049 3.6049 3.8206 3.8206 8.8495 8.8495 9.2221 9.2221 9.9533 9.9533 10.5823 10.5823 11.8339 11.8339 11.9573 11.9573 k = 0.1718-0.2804-0.0000 ( 3693 PWs) bands (ev): -18.2572 -18.2572 -18.1650 -18.1650 -12.6624 -12.6624 -12.5876 -12.5876 -5.1539 -5.1539 -4.8853 -4.8853 -3.6506 -3.6506 -3.1049 -3.1049 -2.9971 -2.9971 -2.8316 -2.8316 -0.4575 -0.4575 -0.2750 -0.2750 2.4908 2.4908 2.5828 2.5828 2.7602 2.7602 3.2832 3.2832 3.6208 3.6208 3.8095 3.8095 8.8378 8.8378 9.2122 9.2122 9.9038 9.9038 10.5509 10.5509 11.8231 11.8231 11.9849 11.9849 k = 0.1649-0.2692-0.0000 ( 3685 PWs) bands (ev): -18.2619 -18.2619 -18.1661 -18.1661 -12.6640 -12.6640 -12.5834 -12.5834 -5.1424 -5.1424 -4.8759 -4.8759 -3.6280 -3.6280 -3.0927 -3.0927 -2.9845 -2.9845 -2.8247 -2.8247 -0.4621 -0.4621 -0.2808 -0.2808 2.4864 2.4864 2.5572 2.5572 2.7380 2.7380 3.2832 3.2832 3.6340 3.6340 3.7977 3.7977 8.8279 8.8279 9.2028 9.2028 9.8496 9.8496 10.5185 10.5185 11.8148 11.8148 12.0160 12.0160 k = 0.1581-0.2580-0.0000 ( 3681 PWs) bands (ev): -18.2665 -18.2665 -18.1673 -18.1673 -12.6657 -12.6657 -12.5791 -12.5791 -5.1303 -5.1303 -4.8668 -4.8668 -3.6042 -3.6042 -3.0802 -3.0802 -2.9719 -2.9719 -2.8186 -2.8186 -0.4669 -0.4669 -0.2869 -0.2869 2.4798 2.4798 2.5340 2.5340 2.7184 2.7184 3.2831 3.2831 3.6434 3.6434 3.7858 3.7858 8.8197 8.8197 9.1937 9.1937 9.7919 9.7919 10.4852 10.4852 11.8091 11.8091 12.0505 12.0505 k = 0.1512-0.2467-0.0000 ( 3681 PWs) bands (ev): -18.2711 -18.2711 -18.1686 -18.1686 -12.6675 -12.6675 -12.5748 -12.5748 -5.1178 -5.1178 -4.8581 -4.8581 -3.5791 -3.5791 -3.0674 -3.0674 -2.9594 -2.9594 -2.8134 -2.8134 -0.4722 -0.4722 -0.2936 -0.2936 2.4691 2.4691 2.5155 2.5155 2.7018 2.7018 3.2829 3.2829 3.6474 3.6474 3.7751 3.7751 8.8132 8.8132 9.1849 9.1849 9.7315 9.7315 10.4513 10.4513 11.8058 11.8058 12.0883 12.0883 k = 0.1443-0.2355-0.0000 ( 3677 PWs) bands (ev): -18.2757 -18.2757 -18.1698 -18.1698 -12.6693 -12.6693 -12.5705 -12.5705 -5.1049 -5.1049 -4.8498 -4.8498 -3.5530 -3.5530 -3.0541 -3.0541 -2.9471 -2.9471 -2.8090 -2.8090 -0.4779 -0.4779 -0.3009 -0.3009 2.4534 2.4534 2.5033 2.5033 2.6882 2.6882 3.2827 3.2827 3.6446 3.6446 3.7668 3.7668 8.8083 8.8083 9.1763 9.1763 9.6696 9.6696 10.4171 10.4171 11.8050 11.8050 12.1291 12.1291 k = 0.1374-0.2243-0.0000 ( 3675 PWs) bands (ev): -18.2801 -18.2801 -18.1711 -18.1711 -12.6711 -12.6711 -12.5662 -12.5662 -5.0918 -5.0918 -4.8419 -4.8419 -3.5261 -3.5261 -3.0404 -3.0404 -2.9351 -2.9351 -2.8052 -2.8052 -0.4841 -0.4841 -0.3092 -0.3092 2.4349 2.4349 2.4958 2.4958 2.6777 2.6777 3.2824 3.2824 3.6339 3.6339 3.7617 3.7617 8.8049 8.8049 9.1678 9.1678 9.6069 9.6069 10.3829 10.3829 11.8066 11.8066 12.1728 12.1728 k = 0.1306-0.2131-0.0000 ( 3679 PWs) bands (ev): -18.2845 -18.2845 -18.1723 -18.1723 -12.6730 -12.6730 -12.5619 -12.5619 -5.0785 -5.0785 -4.8345 -4.8345 -3.4984 -3.4984 -3.0262 -3.0262 -2.9235 -2.9235 -2.8021 -2.8021 -0.4909 -0.4909 -0.3184 -0.3184 2.4163 2.4163 2.4905 2.4905 2.6703 2.6703 3.2820 3.2820 3.6160 3.6160 3.7592 3.7592 8.8030 8.8030 9.1592 9.1592 9.5443 9.5443 10.3487 10.3487 11.8104 11.8104 12.2193 12.2193 k = 0.1237-0.2019-0.0000 ( 3679 PWs) bands (ev): -18.2888 -18.2888 -18.1736 -18.1736 -12.6748 -12.6748 -12.5576 -12.5576 -5.0651 -5.0651 -4.8274 -4.8274 -3.4702 -3.4702 -3.0113 -3.0113 -2.9125 -2.9125 -2.7996 -2.7996 -0.4983 -0.4983 -0.3287 -0.3287 2.3994 2.3994 2.4864 2.4864 2.6661 2.6661 3.2816 3.2816 3.5920 3.5920 3.7579 3.7579 8.8023 8.8023 9.1504 9.1504 9.4826 9.4826 10.3151 10.3151 11.8163 11.8163 12.2684 12.2684 k = 0.1168-0.1907-0.0000 ( 3677 PWs) bands (ev): -18.2929 -18.2929 -18.1748 -18.1748 -12.6767 -12.6767 -12.5535 -12.5535 -5.0517 -5.0517 -4.8209 -4.8209 -3.4417 -3.4417 -2.9960 -2.9960 -2.9020 -2.9020 -2.7976 -2.7976 -0.5062 -0.5062 -0.3403 -0.3403 2.3850 2.3850 2.4829 2.4829 2.6649 2.6649 3.2810 3.2810 3.5634 3.5634 3.7567 3.7567 8.8029 8.8029 9.1412 9.1412 9.4225 9.4225 10.2821 10.2821 11.8241 11.8241 12.3199 12.3199 k = 0.1100-0.1794-0.0000 ( 3675 PWs) bands (ev): -18.2969 -18.2969 -18.1760 -18.1760 -12.6785 -12.6785 -12.5494 -12.5494 -5.0384 -5.0384 -4.8147 -4.8147 -3.4131 -3.4131 -2.9800 -2.9800 -2.8921 -2.8921 -2.7959 -2.7959 -0.5148 -0.5148 -0.3530 -0.3530 2.3736 2.3736 2.4799 2.4799 2.6667 2.6667 3.2803 3.2803 3.5312 3.5312 3.7546 3.7546 8.8046 8.8046 9.1310 9.1310 9.3650 9.3650 10.2499 10.2499 11.8337 11.8337 12.3737 12.3737 k = 0.1031-0.1682-0.0000 ( 3685 PWs) bands (ev): -18.3007 -18.3007 -18.1772 -18.1772 -12.6803 -12.6803 -12.5455 -12.5455 -5.0253 -5.0253 -4.8090 -4.8090 -3.3846 -3.3846 -2.9636 -2.9636 -2.8830 -2.8830 -2.7945 -2.7945 -0.5240 -0.5240 -0.3669 -0.3669 2.3657 2.3657 2.4774 2.4774 2.6713 2.6713 3.2791 3.2791 3.4961 3.4961 3.7511 3.7511 8.8072 8.8072 9.1192 9.1192 9.3112 9.3112 10.2186 10.2186 11.8449 11.8449 12.4292 12.4292 k = 0.0962-0.1570-0.0000 ( 3681 PWs) bands (ev): -18.3044 -18.3044 -18.1783 -18.1783 -12.6821 -12.6821 -12.5417 -12.5417 -5.0126 -5.0126 -4.8038 -4.8038 -3.3565 -3.3565 -2.9468 -2.9468 -2.8746 -2.8746 -2.7934 -2.7934 -0.5337 -0.5337 -0.3819 -0.3819 2.3613 2.3613 2.4753 2.4753 2.6785 2.6785 3.2773 3.2773 3.4589 3.4589 3.7461 3.7461 8.8108 8.8108 9.1045 9.1045 9.2628 9.2628 10.1886 10.1886 11.8573 11.8573 12.4836 12.4836 k = 0.0893-0.1458-0.0000 ( 3675 PWs) bands (ev): -18.3079 -18.3079 -18.1794 -18.1794 -12.6837 -12.6837 -12.5380 -12.5380 -5.0002 -5.0002 -4.7990 -4.7990 -3.3290 -3.3290 -2.9298 -2.9298 -2.8670 -2.8670 -2.7923 -2.7923 -0.5438 -0.5438 -0.3979 -0.3979 2.3605 2.3605 2.4740 2.4740 2.6881 2.6881 3.2741 3.2741 3.4207 3.4207 3.7395 3.7395 8.8150 8.8150 9.0852 9.0852 9.2221 9.2221 10.1599 10.1599 11.8708 11.8708 12.4808 12.4808 k = 0.0825-0.1346-0.0000 ( 3669 PWs) bands (ev): -18.3112 -18.3112 -18.1805 -18.1805 -12.6854 -12.6854 -12.5346 -12.5346 -4.9883 -4.9883 -4.7946 -4.7946 -3.3023 -3.3023 -2.9128 -2.9128 -2.8601 -2.8601 -2.7912 -2.7912 -0.5543 -0.5543 -0.4146 -0.4146 2.3632 2.3632 2.4735 2.4735 2.6998 2.6998 3.2682 3.2682 3.3832 3.3832 3.7312 3.7312 8.8197 8.8197 9.0596 9.0596 9.1908 9.1908 10.1328 10.1328 11.8850 11.8850 12.4675 12.4675 k = 0.0756-0.1234-0.0000 ( 3667 PWs) bands (ev): -18.3143 -18.3143 -18.1815 -18.1815 -12.6869 -12.6869 -12.5313 -12.5313 -4.9770 -4.9770 -4.7907 -4.7907 -3.2766 -3.2766 -2.8962 -2.8962 -2.8539 -2.8539 -2.7899 -2.7899 -0.5651 -0.5651 -0.4317 -0.4317 2.3690 2.3690 2.4742 2.4742 2.7134 2.7134 3.2563 3.2563 3.3500 3.3500 3.7214 3.7214 8.8248 8.8248 9.0283 9.0283 9.1687 9.1687 10.1073 10.1073 11.8997 11.8997 12.4553 12.4553 k = 0.0687-0.1122-0.0000 ( 3667 PWs) bands (ev): -18.3171 -18.3171 -18.1824 -18.1824 -12.6883 -12.6883 -12.5283 -12.5283 -4.9663 -4.9663 -4.7872 -4.7872 -3.2522 -3.2522 -2.8807 -2.8807 -2.8479 -2.8479 -2.7883 -2.7883 -0.5759 -0.5759 -0.4489 -0.4489 2.3772 2.3772 2.4769 2.4769 2.7283 2.7283 3.2333 3.2333 3.3264 3.3264 3.7104 3.7104 8.8300 8.8300 8.9941 8.9941 9.1534 9.1534 10.0835 10.0835 11.9145 11.9145 12.4444 12.4444 k = 0.0619-0.1009-0.0000 ( 3665 PWs) bands (ev): -18.3197 -18.3197 -18.1833 -18.1833 -12.6897 -12.6897 -12.5255 -12.5255 -4.9564 -4.9564 -4.7841 -4.7841 -3.2294 -3.2294 -2.8674 -2.8674 -2.8415 -2.8415 -2.7861 -2.7861 -0.5868 -0.5868 -0.4659 -0.4659 2.3867 2.3867 2.4824 2.4824 2.7443 2.7443 3.1985 3.1985 3.3136 3.3136 3.6983 3.6983 8.8353 8.8353 8.9596 8.9596 9.1425 9.1425 10.0617 10.0617 11.9291 11.9291 12.4347 12.4347 k = 0.0550-0.0897-0.0000 ( 3667 PWs) bands (ev): -18.3221 -18.3221 -18.1840 -18.1840 -12.6909 -12.6909 -12.5230 -12.5230 -4.9472 -4.9472 -4.7814 -4.7814 -3.2082 -3.2082 -2.8579 -2.8579 -2.8335 -2.8335 -2.7832 -2.7832 -0.5975 -0.5975 -0.4823 -0.4823 2.3962 2.3962 2.4920 2.4920 2.7608 2.7608 3.1563 3.1563 3.3073 3.3073 3.6856 3.6856 8.8403 8.8403 8.9267 8.9267 9.1342 9.1342 10.0419 10.0419 11.9432 11.9432 12.4262 12.4262 k = 0.0481-0.0785-0.0000 ( 3669 PWs) bands (ev): -18.3242 -18.3242 -18.1847 -18.1847 -12.6920 -12.6920 -12.5207 -12.5207 -4.9390 -4.9390 -4.7791 -4.7791 -3.1889 -3.1889 -2.8526 -2.8526 -2.8240 -2.8240 -2.7791 -2.7791 -0.6078 -0.6078 -0.4977 -0.4977 2.4043 2.4043 2.5068 2.5068 2.7774 2.7774 3.1105 3.1105 3.3041 3.3041 3.6726 3.6726 8.8447 8.8447 8.8969 8.8969 9.1277 9.1277 10.0242 10.0242 11.9565 11.9565 12.4190 12.4190 k = 0.0412-0.0673-0.0000 ( 3667 PWs) bands (ev): -18.3261 -18.3261 -18.1854 -18.1854 -12.6929 -12.6929 -12.5187 -12.5187 -4.9317 -4.9317 -4.7771 -4.7771 -3.1717 -3.1717 -2.8498 -2.8498 -2.8152 -2.8152 -2.7738 -2.7738 -0.6175 -0.6175 -0.5117 -0.5117 2.4101 2.4101 2.5273 2.5273 2.7935 2.7935 3.0632 3.0632 3.3024 3.3024 3.6597 3.6597 8.8469 8.8469 8.8722 8.8722 9.1226 9.1226 10.0086 10.0086 11.9687 11.9687 12.4129 12.4129 k = 0.0344-0.0561-0.0000 ( 3665 PWs) bands (ev): -18.3276 -18.3276 -18.1859 -18.1859 -12.6938 -12.6938 -12.5170 -12.5170 -4.9254 -4.9254 -4.7755 -4.7755 -3.1568 -3.1568 -2.8485 -2.8485 -2.8083 -2.8083 -2.7672 -2.7672 -0.6265 -0.6265 -0.5240 -0.5240 2.4140 2.4140 2.5529 2.5529 2.8084 2.8084 3.0155 3.0155 3.3015 3.3015 3.6476 3.6476 8.8389 8.8389 8.8610 8.8610 9.1185 9.1185 9.9954 9.9954 11.9795 11.9795 12.4079 12.4079 k = 0.0275-0.0449-0.0000 ( 3671 PWs) bands (ev): -18.3289 -18.3289 -18.1863 -18.1863 -12.6945 -12.6945 -12.5156 -12.5156 -4.9201 -4.9201 -4.7743 -4.7743 -3.1443 -3.1443 -2.8480 -2.8480 -2.8034 -2.8034 -2.7602 -2.7602 -0.6343 -0.6343 -0.5343 -0.5343 2.4164 2.4164 2.5824 2.5824 2.8217 2.8217 2.9685 2.9685 3.3011 3.3011 3.6366 3.6366 8.8223 8.8223 8.8617 8.8617 9.1152 9.1152 9.9844 9.9844 11.9886 11.9886 12.4039 12.4039 k = 0.0206-0.0336-0.0000 ( 3671 PWs) bands (ev): -18.3299 -18.3299 -18.1867 -18.1867 -12.6950 -12.6950 -12.5145 -12.5145 -4.9160 -4.9160 -4.7733 -4.7733 -3.1344 -3.1344 -2.8479 -2.8479 -2.8002 -2.8002 -2.7537 -2.7537 -0.6408 -0.6408 -0.5425 -0.5425 2.4178 2.4178 2.6143 2.6143 2.8325 2.8325 2.9234 2.9234 3.3009 3.3009 3.6273 3.6273 8.8077 8.8077 8.8639 8.8639 9.1128 9.1128 9.9758 9.9758 11.9960 11.9960 12.4009 12.4009 k = 0.0137-0.0224-0.0000 ( 3667 PWs) bands (ev): -18.3307 -18.3307 -18.1869 -18.1869 -12.6954 -12.6954 -12.5137 -12.5137 -4.9130 -4.9130 -4.7726 -4.7726 -3.1272 -3.1272 -2.8479 -2.8479 -2.7982 -2.7982 -2.7485 -2.7485 -0.6456 -0.6456 -0.5485 -0.5485 2.4187 2.4187 2.6463 2.6463 2.8401 2.8401 2.8828 2.8828 3.3008 3.3008 3.6203 3.6203 8.7970 8.7970 8.8657 8.8657 9.1111 9.1111 9.9697 9.9697 12.0014 12.0014 12.3988 12.3988 k = 0.0069-0.0112-0.0000 ( 3679 PWs) bands (ev): -18.3311 -18.3311 -18.1871 -18.1871 -12.6956 -12.6956 -12.5132 -12.5132 -4.9112 -4.9112 -4.7722 -4.7722 -3.1229 -3.1229 -2.8481 -2.8481 -2.7970 -2.7970 -2.7452 -2.7452 -0.6487 -0.6487 -0.5521 -0.5521 2.4190 2.4190 2.6734 2.6734 2.8398 2.8398 2.8556 2.8556 3.3008 3.3008 3.6159 3.6159 8.7904 8.7904 8.8669 8.8669 9.1100 9.1100 9.9660 9.9660 12.0046 12.0046 12.3975 12.3975 k = 0.0000 0.0000 0.0000 ( 3677 PWs) bands (ev): -18.3313 -18.3313 -18.1871 -18.1871 -12.6957 -12.6957 -12.5130 -12.5130 -4.9106 -4.9106 -4.7721 -4.7721 -3.1214 -3.1214 -2.8481 -2.8481 -2.7967 -2.7967 -2.7440 -2.7440 -0.6497 -0.6497 -0.5533 -0.5533 2.4191 2.4191 2.6852 2.6852 2.8313 2.8313 2.8522 2.8522 3.3008 3.3008 3.6144 3.6144 8.7882 8.7882 8.8673 8.8673 9.1097 9.1097 9.9647 9.9647 12.0057 12.0057 12.3971 12.3971 k = 0.0000 0.0000 0.0000 ( 3677 PWs) bands (ev): -18.3313 -18.3313 -18.1871 -18.1871 -12.6957 -12.6957 -12.5130 -12.5130 -4.9106 -4.9106 -4.7721 -4.7721 -3.1214 -3.1214 -2.8481 -2.8481 -2.7967 -2.7967 -2.7440 -2.7440 -0.6497 -0.6497 -0.5533 -0.5533 2.4191 2.4191 2.6852 2.6852 2.8313 2.8313 2.8522 2.8522 3.3008 3.3008 3.6144 3.6144 8.7882 8.7882 8.8673 8.8673 9.1097 9.1097 9.9647 9.9647 12.0057 12.0057 12.3971 12.3971 k = 0.0116-0.0059-0.0018 ( 3678 PWs) bands (ev): -18.3311 -18.3311 -18.1871 -18.1871 -12.6956 -12.6956 -12.5132 -12.5132 -4.9112 -4.9112 -4.7722 -4.7722 -3.1227 -3.1227 -2.8481 -2.8481 -2.7971 -2.7971 -2.7451 -2.7451 -0.6487 -0.6487 -0.5523 -0.5523 2.4194 2.4194 2.6762 2.6762 2.8259 2.8259 2.8666 2.8666 3.3006 3.3006 3.6158 3.6158 8.7900 8.7900 8.8675 8.8675 9.1102 9.1102 9.9639 9.9639 12.0060 12.0060 12.3978 12.3978 k = 0.0233-0.0119-0.0036 ( 3676 PWs) bands (ev): -18.3307 -18.3307 -18.1869 -18.1869 -12.6954 -12.6954 -12.5137 -12.5137 -4.9129 -4.9129 -4.7726 -4.7726 -3.1265 -3.1265 -2.8482 -2.8482 -2.7985 -2.7985 -2.7483 -2.7483 -0.6459 -0.6459 -0.5494 -0.5494 2.4203 2.4203 2.6535 2.6535 2.8201 2.8201 2.8952 2.8952 3.2999 3.2999 3.6199 3.6199 8.7951 8.7951 8.8678 8.8678 9.1120 9.1120 9.9616 9.9616 12.0067 12.0067 12.3998 12.3998 k = 0.0349-0.0178-0.0054 ( 3677 PWs) bands (ev): -18.3299 -18.3299 -18.1866 -18.1866 -12.6950 -12.6950 -12.5146 -12.5146 -4.9158 -4.9158 -4.7732 -4.7732 -3.1327 -3.1327 -2.8484 -2.8484 -2.8008 -2.8008 -2.7532 -2.7532 -0.6415 -0.6415 -0.5446 -0.5446 2.4215 2.4215 2.6245 2.6245 2.8158 2.8158 2.9292 2.9292 3.2989 3.2989 3.6265 3.6265 8.8034 8.8034 8.8685 8.8685 9.1153 9.1153 9.9578 9.9578 12.0075 12.0075 12.4033 12.4033 k = 0.0465-0.0237-0.0072 ( 3669 PWs) bands (ev): -18.3289 -18.3289 -18.1863 -18.1863 -12.6944 -12.6944 -12.5157 -12.5157 -4.9197 -4.9197 -4.7742 -4.7742 -3.1414 -3.1414 -2.8489 -2.8489 -2.8044 -2.8044 -2.7595 -2.7595 -0.6359 -0.6359 -0.5378 -0.5378 2.4231 2.4231 2.5941 2.5941 2.8117 2.8117 2.9650 2.9650 3.2975 3.2975 3.6354 3.6354 8.8140 8.8140 8.8699 8.8699 9.1205 9.1205 9.9527 9.9527 12.0082 12.0082 12.4083 12.4083 k = 0.0581-0.0296-0.0091 ( 3666 PWs) bands (ev): -18.3275 -18.3275 -18.1858 -18.1858 -12.6936 -12.6936 -12.5173 -12.5173 -4.9247 -4.9247 -4.7754 -4.7754 -3.1524 -3.1524 -2.8499 -2.8499 -2.8093 -2.8093 -2.7664 -2.7664 -0.6292 -0.6292 -0.5292 -0.5292 2.4245 2.4245 2.5651 2.5651 2.8073 2.8073 3.0010 3.0010 3.2961 3.2961 3.6462 3.6462 8.8250 8.8250 8.8734 8.8734 9.1279 9.1279 9.9465 9.9465 12.0081 12.0081 12.4149 12.4149 k = 0.0698-0.0356-0.0109 ( 3669 PWs) bands (ev): -18.3259 -18.3259 -18.1853 -18.1853 -12.6928 -12.6928 -12.5191 -12.5191 -4.9307 -4.9307 -4.7770 -4.7770 -3.1657 -3.1657 -2.8519 -2.8519 -2.8157 -2.8157 -2.7732 -2.7732 -0.6220 -0.6220 -0.5188 -0.5188 2.4253 2.4253 2.5396 2.5396 2.8026 2.8026 3.0359 3.0359 3.2947 3.2947 3.6585 3.6585 8.8323 8.8323 8.8826 8.8826 9.1381 9.1381 9.9393 9.9393 12.0066 12.0066 12.4234 12.4234 k = 0.0814-0.0415-0.0127 ( 3673 PWs) bands (ev): -18.3240 -18.3240 -18.1846 -18.1846 -12.6917 -12.6917 -12.5212 -12.5212 -4.9377 -4.9377 -4.7790 -4.7790 -3.1810 -3.1810 -2.8555 -2.8555 -2.8232 -2.8232 -2.7794 -2.7794 -0.6144 -0.6144 -0.5070 -0.5070 2.4246 2.4246 2.5194 2.5194 2.7975 2.7975 3.0689 3.0689 3.2938 3.2938 3.6719 3.6719 8.8328 8.8328 8.9002 8.9002 9.1515 9.1515 9.9316 9.9316 12.0031 12.0031 12.4338 12.4338 k = 0.0930-0.0474-0.0145 ( 3676 PWs) bands (ev): -18.3219 -18.3219 -18.1839 -18.1839 -12.6906 -12.6906 -12.5236 -12.5236 -4.9456 -4.9456 -4.7813 -4.7813 -3.1984 -3.1984 -2.8616 -2.8616 -2.8309 -2.8309 -2.7847 -2.7847 -0.6066 -0.6066 -0.4940 -0.4940 2.4218 2.4218 2.5060 2.5060 2.7921 2.7921 3.0993 3.0993 3.2937 3.2937 3.6858 3.6858 8.8277 8.8277 8.9249 8.9249 9.1682 9.1682 9.9235 9.9235 11.9968 11.9968 12.4462 12.4462 k = 0.1047-0.0533-0.0163 ( 3676 PWs) bands (ev): -18.3194 -18.3194 -18.1830 -18.1830 -12.6893 -12.6893 -12.5263 -12.5263 -4.9543 -4.9543 -4.7841 -4.7841 -3.2174 -3.2174 -2.8708 -2.8708 -2.8379 -2.8379 -2.7892 -2.7892 -0.5987 -0.5987 -0.4804 -0.4804 2.4171 2.4171 2.4997 2.4997 2.7866 2.7866 3.1263 3.1263 3.2954 3.2954 3.6998 3.6998 8.8186 8.8186 8.9547 8.9547 9.1884 9.1884 9.9154 9.9154 11.9871 11.9871 12.4605 12.4605 k = 0.1163-0.0593-0.0181 ( 3675 PWs) bands (ev): -18.3168 -18.3168 -18.1821 -18.1821 -12.6879 -12.6879 -12.5293 -12.5293 -4.9637 -4.9637 -4.7873 -4.7873 -3.2380 -3.2380 -2.8828 -2.8828 -2.8441 -2.8441 -2.7932 -2.7932 -0.5907 -0.5907 -0.4666 -0.4666 2.4122 2.4122 2.4992 2.4992 2.7810 2.7810 3.1488 3.1488 3.2996 3.2996 3.7132 3.7132 8.8065 8.8065 8.9886 8.9886 9.2120 9.2120 9.9076 9.9076 11.9734 11.9734 12.4766 12.4766 k = 0.1279-0.0652-0.0199 ( 3680 PWs) bands (ev): -18.3139 -18.3139 -18.1812 -18.1812 -12.6864 -12.6864 -12.5325 -12.5325 -4.9738 -4.9738 -4.7910 -4.7910 -3.2598 -3.2598 -2.8968 -2.8968 -2.8501 -2.8501 -2.7968 -2.7968 -0.5827 -0.5827 -0.4530 -0.4530 2.4091 2.4091 2.5026 2.5026 2.7755 2.7755 3.1658 3.1658 3.3075 3.3075 3.7256 3.7256 8.7920 8.7920 9.0262 9.0262 9.2389 9.2389 9.9004 9.9004 11.9552 11.9552 12.4939 12.4939 k = 0.1395-0.0711-0.0217 ( 3682 PWs) bands (ev): -18.3107 -18.3107 -18.1801 -18.1801 -12.6849 -12.6849 -12.5359 -12.5359 -4.9845 -4.9845 -4.7952 -4.7952 -3.2827 -3.2827 -2.9119 -2.9119 -2.8564 -2.8564 -2.8004 -2.8004 -0.5745 -0.5745 -0.4398 -0.4398 2.4093 2.4093 2.5087 2.5087 2.7702 2.7702 3.1768 3.1768 3.3196 3.3196 3.7365 3.7365 8.7754 8.7754 9.0671 9.0671 9.2687 9.2687 9.8940 9.8940 11.9325 11.9325 12.5117 12.5117 k = 0.1512-0.0770-0.0235 ( 3681 PWs) bands (ev): -18.3074 -18.3074 -18.1790 -18.1790 -12.6832 -12.6832 -12.5394 -12.5394 -4.9958 -4.9958 -4.8000 -4.8000 -3.3062 -3.3062 -2.9276 -2.9276 -2.8632 -2.8632 -2.8040 -2.8040 -0.5662 -0.5662 -0.4275 -0.4275 2.4135 2.4135 2.5165 2.5165 2.7654 2.7654 3.1825 3.1825 3.3356 3.3356 3.7455 3.7455 8.7573 8.7573 9.1110 9.1110 9.3013 9.3013 9.8889 9.8889 11.9051 11.9051 12.5293 12.5293 k = 0.1628-0.0830-0.0254 ( 3682 PWs) bands (ev): -18.3038 -18.3038 -18.1779 -18.1779 -12.6815 -12.6815 -12.5432 -12.5432 -5.0074 -5.0074 -4.8052 -4.8052 -3.3302 -3.3302 -2.9437 -2.9437 -2.8707 -2.8707 -2.8078 -2.8078 -0.5577 -0.5577 -0.4160 -0.4160 2.4220 2.4220 2.5257 2.5257 2.7611 2.7611 3.1838 3.1838 3.3542 3.3542 3.7524 3.7524 8.7377 8.7377 9.1578 9.1578 9.3364 9.3364 9.8853 9.8853 11.8732 11.8732 12.5457 12.5457 k = 0.1744-0.0889-0.0272 ( 3680 PWs) bands (ev): -18.3001 -18.3001 -18.1767 -18.1767 -12.6798 -12.6798 -12.5471 -12.5471 -5.0193 -5.0193 -4.8110 -4.8110 -3.3543 -3.3543 -2.9599 -2.9599 -2.8789 -2.8789 -2.8121 -2.8121 -0.5491 -0.5491 -0.4055 -0.4055 2.4345 2.4345 2.5360 2.5360 2.7577 2.7577 3.1821 3.1821 3.3745 3.3745 3.7569 3.7569 8.7170 8.7170 9.2071 9.2071 9.3736 9.3736 9.8834 9.8834 11.8373 11.8373 12.5604 12.5604 k = 0.1860-0.0948-0.0290 ( 3679 PWs) bands (ev): -18.2962 -18.2962 -18.1755 -18.1755 -12.6780 -12.6780 -12.5511 -12.5511 -5.0315 -5.0315 -4.8174 -4.8174 -3.3784 -3.3784 -2.9762 -2.9762 -2.8878 -2.8878 -2.8170 -2.8170 -0.5403 -0.5403 -0.3958 -0.3958 2.4506 2.4506 2.5473 2.5473 2.7555 2.7555 3.1782 3.1782 3.3955 3.3955 3.7588 3.7588 8.6955 8.6955 9.2589 9.2589 9.4126 9.4126 9.8835 9.8835 11.7979 11.7979 12.5733 12.5733 k = 0.1977-0.1007-0.0308 ( 3682 PWs) bands (ev): -18.2922 -18.2922 -18.1743 -18.1743 -12.6762 -12.6762 -12.5552 -12.5552 -5.0437 -5.0437 -4.8243 -4.8243 -3.4020 -3.4020 -2.9924 -2.9924 -2.8975 -2.8975 -2.8225 -2.8225 -0.5314 -0.5314 -0.3869 -0.3869 2.4691 2.4691 2.5597 2.5597 2.7548 2.7548 3.1729 3.1729 3.4166 3.4166 3.7583 3.7583 8.6733 8.6733 9.3127 9.3127 9.4530 9.4530 9.8860 9.8860 11.7556 11.7556 12.5850 12.5850 k = 0.2093-0.1067-0.0326 ( 3681 PWs) bands (ev): -18.2880 -18.2880 -18.1730 -18.1730 -12.6744 -12.6744 -12.5594 -12.5594 -5.0560 -5.0560 -4.8318 -4.8318 -3.4250 -3.4250 -3.0087 -3.0087 -2.9079 -2.9079 -2.8287 -2.8287 -0.5222 -0.5222 -0.3785 -0.3785 2.4890 2.4890 2.5733 2.5733 2.7563 2.7563 3.1665 3.1665 3.4375 3.4375 3.7554 3.7554 8.6507 8.6507 9.3684 9.3684 9.4945 9.4945 9.8910 9.8910 11.7110 11.7110 12.5964 12.5964 k = 0.2209-0.1126-0.0344 ( 3678 PWs) bands (ev): -18.2837 -18.2837 -18.1718 -18.1718 -12.6727 -12.6727 -12.5636 -12.5636 -5.0682 -5.0682 -4.8399 -4.8399 -3.4473 -3.4473 -3.0249 -3.0249 -2.9190 -2.9190 -2.8356 -2.8356 -0.5130 -0.5130 -0.3703 -0.3703 2.5087 2.5087 2.5881 2.5881 2.7606 2.7606 3.1593 3.1593 3.4579 3.4579 3.7503 3.7503 8.6279 8.6279 9.4258 9.4258 9.5367 9.5367 9.8990 9.8990 11.6648 11.6648 12.6081 12.6081 k = 0.2326-0.1185-0.0362 ( 3675 PWs) bands (ev): -18.2794 -18.2794 -18.1706 -18.1706 -12.6709 -12.6709 -12.5679 -12.5679 -5.0801 -5.0801 -4.8485 -4.8485 -3.4685 -3.4685 -3.0410 -3.0410 -2.9308 -2.9308 -2.8431 -2.8431 -0.5035 -0.5035 -0.3623 -0.3623 2.5267 2.5267 2.6041 2.6041 2.7686 2.7686 3.1515 3.1515 3.4775 3.4775 3.7436 3.7436 8.6051 8.6051 9.4844 9.4844 9.5791 9.5791 9.9101 9.9101 11.6175 11.6175 12.6206 12.6206 k = 0.2442-0.1244-0.0380 ( 3677 PWs) bands (ev): -18.2749 -18.2749 -18.1693 -18.1693 -12.6692 -12.6692 -12.5721 -12.5721 -5.0917 -5.0917 -4.8577 -4.8577 -3.4886 -3.4886 -3.0573 -3.0573 -2.9434 -2.9434 -2.8512 -2.8512 -0.4939 -0.4939 -0.3540 -0.3540 2.5420 2.5420 2.6205 2.6205 2.7809 2.7809 3.1431 3.1431 3.4961 3.4961 3.7357 3.7357 8.5823 8.5823 9.5440 9.5440 9.6212 9.6212 9.9247 9.9247 11.5697 11.5697 12.6344 12.6344 k = 0.2558-0.1304-0.0398 ( 3679 PWs) bands (ev): -18.2704 -18.2704 -18.1682 -18.1682 -12.6676 -12.6676 -12.5763 -12.5763 -5.1029 -5.1029 -4.8674 -4.8674 -3.5075 -3.5075 -3.0736 -3.0736 -2.9566 -2.9566 -2.8599 -2.8599 -0.4843 -0.4843 -0.3451 -0.3451 2.5544 2.5544 2.6364 2.6364 2.7980 2.7980 3.1344 3.1344 3.5135 3.5135 3.7274 3.7274 8.5598 8.5598 9.6042 9.6042 9.6628 9.6628 9.9429 9.9429 11.5220 11.5220 12.6495 12.6495 k = 0.2674-0.1363-0.0417 ( 3679 PWs) bands (ev): -18.2659 -18.2659 -18.1670 -18.1670 -12.6660 -12.6660 -12.5804 -12.5804 -5.1136 -5.1136 -4.8777 -4.8777 -3.5250 -3.5250 -3.0901 -3.0901 -2.9704 -2.9704 -2.8688 -2.8688 -0.4746 -0.4746 -0.3356 -0.3356 2.5641 2.5641 2.6509 2.6509 2.8192 2.8192 3.1253 3.1253 3.5295 3.5295 3.7196 3.7196 8.5377 8.5377 9.6642 9.6642 9.7036 9.7036 9.9651 9.9651 11.4746 11.4746 12.6658 12.6658 k = 0.2791-0.1422-0.0435 ( 3681 PWs) bands (ev): -18.2613 -18.2613 -18.1659 -18.1659 -12.6645 -12.6645 -12.5845 -12.5845 -5.1236 -5.1236 -4.8884 -4.8884 -3.5410 -3.5410 -3.1070 -3.1070 -2.9847 -2.9847 -2.8780 -2.8780 -0.4650 -0.4650 -0.3251 -0.3251 2.5714 2.5714 2.6640 2.6640 2.8431 2.8431 3.1157 3.1157 3.5438 3.5438 3.7135 3.7135 8.5160 8.5160 9.7223 9.7223 9.7448 9.7448 9.9911 9.9911 11.4281 11.4281 12.6834 12.6834 k = 0.2907-0.1481-0.0453 ( 3676 PWs) bands (ev): -18.2568 -18.2568 -18.1649 -18.1649 -12.6631 -12.6631 -12.5884 -12.5884 -5.1329 -5.1329 -4.8996 -4.8996 -3.5555 -3.5555 -3.1242 -3.1242 -2.9994 -2.9994 -2.8873 -2.8873 -0.4556 -0.4556 -0.3135 -0.3135 2.5767 2.5767 2.6761 2.6761 2.8678 2.8678 3.1057 3.1057 3.5564 3.5564 3.7100 3.7100 8.4950 8.4950 9.7710 9.7710 9.7934 9.7934 10.0207 10.0207 11.3826 11.3826 12.7019 12.7019 k = 0.3023-0.1541-0.0471 ( 3678 PWs) bands (ev): -18.2523 -18.2523 -18.1639 -18.1639 -12.6618 -12.6618 -12.5922 -12.5922 -5.1414 -5.1414 -4.9112 -4.9112 -3.5684 -3.5684 -3.1419 -3.1419 -3.0142 -3.0142 -2.8966 -2.8966 -0.4465 -0.4465 -0.3005 -0.3005 2.5804 2.5804 2.6874 2.6874 2.8912 2.8912 3.0953 3.0953 3.5673 3.5673 3.7099 3.7099 8.4746 8.4746 9.8092 9.8092 9.8500 9.8500 10.0536 10.0536 11.3386 11.3386 12.7211 12.7211 k = 0.3140-0.1600-0.0489 ( 3678 PWs) bands (ev): -18.2478 -18.2478 -18.1630 -18.1630 -12.6606 -12.6606 -12.5959 -12.5959 -5.1489 -5.1489 -4.9232 -4.9232 -3.5796 -3.5796 -3.1603 -3.1603 -3.0290 -3.0290 -2.9056 -2.9056 -0.4378 -0.4378 -0.2863 -0.2863 2.5828 2.5828 2.6984 2.6984 2.9118 2.9118 3.0842 3.0842 3.5774 3.5774 3.7138 3.7138 8.4551 8.4551 9.8441 9.8441 9.9075 9.9075 10.0891 10.0891 11.2962 11.2962 12.7409 12.7409 k = 0.3256-0.1659-0.0507 ( 3682 PWs) bands (ev): -18.2434 -18.2434 -18.1622 -18.1622 -12.6595 -12.6595 -12.5994 -12.5994 -5.1556 -5.1556 -4.9355 -4.9355 -3.5892 -3.5892 -3.1795 -3.1795 -3.0435 -3.0435 -2.9145 -2.9145 -0.4296 -0.4296 -0.2707 -0.2707 2.5843 2.5843 2.7091 2.7091 2.9280 2.9280 3.0725 3.0725 3.5874 3.5874 3.7213 3.7213 8.4364 8.4364 9.8775 9.8775 9.9637 9.9637 10.1265 10.1265 11.2557 11.2557 12.7610 12.7610 k = 0.3372-0.1718-0.0525 ( 3684 PWs) bands (ev): -18.2391 -18.2391 -18.1615 -18.1615 -12.6585 -12.6585 -12.6027 -12.6027 -5.1612 -5.1612 -4.9482 -4.9482 -3.5971 -3.5971 -3.1995 -3.1995 -3.0575 -3.0575 -2.9230 -2.9230 -0.4219 -0.4219 -0.2539 -0.2539 2.5851 2.5851 2.7196 2.7196 2.9389 2.9389 3.0603 3.0603 3.5983 3.5983 3.7320 3.7320 8.4186 8.4186 9.9101 9.9101 10.0177 10.0177 10.1650 10.1650 11.2173 11.2173 12.7812 12.7812 k = 0.3488-0.1778-0.0543 ( 3686 PWs) bands (ev): -18.2350 -18.2350 -18.1609 -18.1609 -12.6577 -12.6577 -12.6058 -12.6058 -5.1657 -5.1657 -4.9611 -4.9611 -3.6033 -3.6033 -3.2203 -3.2203 -3.0707 -3.0707 -2.9311 -2.9311 -0.4148 -0.4148 -0.2361 -0.2361 2.5854 2.5854 2.7298 2.7298 2.9440 2.9440 3.0480 3.0480 3.6107 3.6107 3.7453 3.7453 8.4019 8.4019 9.9423 9.9423 10.0690 10.0690 10.2039 10.2039 11.1811 11.1811 12.8012 12.8012 k = 0.3605-0.1837-0.0561 ( 3677 PWs) bands (ev): -18.2309 -18.2309 -18.1604 -18.1604 -12.6569 -12.6569 -12.6087 -12.6087 -5.1691 -5.1691 -4.9742 -4.9742 -3.6079 -3.6079 -3.2418 -3.2418 -3.0831 -3.0831 -2.9387 -2.9387 -0.4083 -0.4083 -0.2175 -0.2175 2.5854 2.5854 2.7398 2.7398 2.9429 2.9429 3.0362 3.0362 3.6245 3.6245 3.7607 3.7607 8.3862 8.3862 9.9742 9.9742 10.1170 10.1170 10.2426 10.2426 11.1472 11.1472 12.8211 12.8211 k = 0.3721-0.1896-0.0580 ( 3681 PWs) bands (ev): -18.2271 -18.2271 -18.1599 -18.1599 -12.6563 -12.6563 -12.6113 -12.6113 -5.1714 -5.1714 -4.9875 -4.9875 -3.6107 -3.6107 -3.2639 -3.2639 -3.0944 -3.0944 -2.9458 -2.9458 -0.4023 -0.4023 -0.1983 -0.1983 2.5852 2.5852 2.7494 2.7494 2.9358 2.9358 3.0256 3.0256 3.6391 3.6391 3.7780 3.7780 8.3715 8.3715 10.0059 10.0059 10.1610 10.1610 10.2806 10.2806 11.1157 11.1157 12.8405 12.8405 k = 0.3837-0.1955-0.0598 ( 3681 PWs) bands (ev): -18.2234 -18.2234 -18.1596 -18.1596 -12.6557 -12.6557 -12.6137 -12.6137 -5.1725 -5.1725 -5.0008 -5.0008 -3.6119 -3.6119 -3.2863 -3.2863 -3.1048 -3.1048 -2.9524 -2.9524 -0.3970 -0.3970 -0.1790 -0.1790 2.5850 2.5850 2.7585 2.7585 2.9235 2.9235 3.0165 3.0165 3.6539 3.6539 3.7966 3.7966 8.3581 8.3581 10.0374 10.0374 10.2007 10.2007 10.3174 10.3174 11.0868 11.0868 12.8597 12.8597 k = 0.3953-0.2015-0.0616 ( 3678 PWs) bands (ev): -18.2199 -18.2199 -18.1594 -18.1594 -12.6553 -12.6553 -12.6159 -12.6159 -5.1724 -5.1724 -5.0141 -5.0141 -3.6114 -3.6114 -3.3090 -3.3090 -3.1141 -3.1141 -2.9585 -2.9585 -0.3922 -0.3922 -0.1599 -0.1599 2.5848 2.5848 2.7670 2.7670 2.9076 2.9076 3.0088 3.0088 3.6681 3.6681 3.8163 3.8163 8.3458 8.3458 10.0685 10.0685 10.2357 10.2357 10.3525 10.3525 11.0605 11.0605 12.8785 12.8785 k = 0.4070-0.2074-0.0634 ( 3678 PWs) bands (ev): -18.2167 -18.2167 -18.1592 -18.1592 -12.6550 -12.6550 -12.6178 -12.6178 -5.1712 -5.1712 -5.0274 -5.0274 -3.6094 -3.6094 -3.3315 -3.3315 -3.1223 -3.1223 -2.9640 -2.9640 -0.3879 -0.3879 -0.1414 -0.1414 2.5846 2.5846 2.7745 2.7745 2.8897 2.8897 3.0020 3.0020 3.6812 3.6812 3.8363 3.8363 8.3347 8.3347 10.0989 10.0989 10.2658 10.2658 10.3854 10.3854 11.0369 11.0369 12.8970 12.8970 k = 0.4186-0.2133-0.0652 ( 3678 PWs) bands (ev): -18.2137 -18.2137 -18.1592 -18.1592 -12.6548 -12.6548 -12.6195 -12.6195 -5.1688 -5.1688 -5.0406 -5.0406 -3.6060 -3.6060 -3.3536 -3.3536 -3.1295 -3.1295 -2.9689 -2.9689 -0.3842 -0.3842 -0.1239 -0.1239 2.5846 2.5846 2.7808 2.7808 2.8718 2.8718 2.9959 2.9959 3.6928 3.6928 3.8561 3.8561 8.3249 8.3249 10.1283 10.1283 10.2909 10.2909 10.4155 10.4155 11.0159 11.0159 12.9152 12.9152 k = 0.4302-0.2192-0.0670 ( 3680 PWs) bands (ev): -18.2111 -18.2111 -18.1592 -18.1592 -12.6546 -12.6546 -12.6209 -12.6209 -5.1653 -5.1653 -5.0535 -5.0535 -3.6012 -3.6012 -3.3750 -3.3750 -3.1357 -3.1357 -2.9731 -2.9731 -0.3810 -0.3810 -0.1078 -0.1078 2.5847 2.5847 2.7851 2.7851 2.8555 2.8555 2.9903 2.9903 3.7028 3.7028 3.8748 3.8748 8.3163 8.3163 10.1563 10.1563 10.3112 10.3112 10.4425 10.4425 10.9976 10.9976 12.9329 12.9329 k = 0.4419-0.2252-0.0688 ( 3680 PWs) bands (ev): -18.2088 -18.2088 -18.1592 -18.1592 -12.6545 -12.6545 -12.6220 -12.6220 -5.1607 -5.1607 -5.0662 -5.0662 -3.5953 -3.5953 -3.3953 -3.3953 -3.1409 -3.1409 -2.9768 -2.9768 -0.3783 -0.3783 -0.0934 -0.0934 2.5849 2.5849 2.7864 2.7864 2.8428 2.8428 2.9853 2.9853 3.7112 3.7112 3.8919 3.8919 8.3090 8.3090 10.1823 10.1823 10.3267 10.3267 10.4660 10.4660 10.9821 10.9821 12.9500 12.9500 k = 0.4535-0.2311-0.0706 ( 3682 PWs) bands (ev): -18.2068 -18.2068 -18.1593 -18.1593 -12.6545 -12.6545 -12.6230 -12.6230 -5.1550 -5.1550 -5.0785 -5.0785 -3.5885 -3.5885 -3.4139 -3.4139 -3.1452 -3.1452 -2.9798 -2.9798 -0.3761 -0.3761 -0.0811 -0.0811 2.5852 2.5852 2.7837 2.7837 2.8352 2.8352 2.9809 2.9809 3.7181 3.7181 3.9067 3.9067 8.3030 8.3030 10.2056 10.2056 10.3378 10.3378 10.4855 10.4855 10.9694 10.9694 12.9660 12.9660 k = 0.4651-0.2370-0.0724 ( 3684 PWs) bands (ev): -18.2052 -18.2052 -18.1594 -18.1594 -12.6545 -12.6545 -12.6237 -12.6237 -5.1484 -5.1484 -5.0903 -5.0903 -3.5816 -3.5816 -3.4303 -3.4303 -3.1485 -3.1485 -2.9821 -2.9821 -0.3744 -0.3744 -0.0712 -0.0712 2.5856 2.5856 2.7781 2.7781 2.8323 2.8323 2.9772 2.9772 3.7233 3.7233 3.9187 3.9187 8.2983 8.2983 10.2255 10.2255 10.3451 10.3451 10.5009 10.5009 10.9594 10.9594 12.9801 12.9801 k = 0.4767-0.2429-0.0743 ( 3684 PWs) bands (ev): -18.2041 -18.2041 -18.1595 -18.1595 -12.6545 -12.6545 -12.6242 -12.6242 -5.1408 -5.1408 -5.1016 -5.1016 -3.5751 -3.5751 -3.4435 -3.4435 -3.1508 -3.1508 -2.9838 -2.9838 -0.3732 -0.3732 -0.0639 -0.0639 2.5860 2.5860 2.7722 2.7722 2.8319 2.8319 2.9745 2.9745 3.7270 3.7270 3.9276 3.9276 8.2950 8.2950 10.2410 10.2410 10.3493 10.3493 10.5120 10.5120 10.9523 10.9523 12.9913 12.9913 k = 0.4884-0.2489-0.0761 ( 3681 PWs) bands (ev): -18.2034 -18.2034 -18.1595 -18.1595 -12.6545 -12.6545 -12.6245 -12.6245 -5.1325 -5.1325 -5.1122 -5.1122 -3.5704 -3.5704 -3.4524 -3.4524 -3.1522 -3.1522 -2.9848 -2.9848 -0.3724 -0.3724 -0.0595 -0.0595 2.5862 2.5862 2.7679 2.7679 2.8322 2.8322 2.9728 2.9728 3.7292 3.7292 3.9330 3.9330 8.2930 8.2930 10.2510 10.2510 10.3512 10.3512 10.5187 10.5187 10.9480 10.9480 12.9987 12.9987 k = 0.5000-0.2548-0.0779 ( 3678 PWs) bands (ev): -18.2032 -18.2032 -18.1595 -18.1595 -12.6545 -12.6545 -12.6246 -12.6246 -5.1256 -5.1256 -5.1199 -5.1199 -3.5686 -3.5686 -3.4555 -3.4555 -3.1526 -3.1526 -2.9851 -2.9851 -0.3722 -0.3722 -0.0580 -0.0580 2.5863 2.5863 2.7664 2.7664 2.8324 2.8324 2.9722 2.9722 3.7299 3.7299 3.9348 3.9348 8.2923 8.2923 10.2545 10.2545 10.3518 10.3518 10.5209 10.5209 10.9465 10.9465 13.0013 13.0013 k = 0.5000-0.2548 0.2228 ( 3652 PWs) bands (ev): -18.1878 -18.1878 -18.1749 -18.1749 -12.6907 -12.6907 -12.5881 -12.5881 -5.3332 -5.3332 -4.9097 -4.9097 -3.8277 -3.8277 -3.2826 -3.2826 -3.1186 -3.1186 -2.7554 -2.7554 -0.4852 -0.4852 -0.2329 -0.2329 2.3849 2.3849 2.7769 2.7769 3.0570 3.0570 3.2775 3.2775 3.4518 3.4518 3.9864 3.9864 7.9026 7.9026 9.9575 9.9575 10.5039 10.5039 10.7527 10.7527 11.9830 11.9830 12.6041 12.6041 k = 0.4891-0.2493 0.2179 ( 3654 PWs) bands (ev): -18.1881 -18.1881 -18.1748 -18.1748 -12.6905 -12.6905 -12.5882 -12.5882 -5.3327 -5.3327 -4.9095 -4.9095 -3.8271 -3.8271 -3.2823 -3.2823 -3.1182 -3.1182 -2.7554 -2.7554 -0.4852 -0.4852 -0.2328 -0.2328 2.3856 2.3856 2.7757 2.7757 3.0540 3.0540 3.2799 3.2799 3.4514 3.4514 3.9863 3.9863 7.9044 7.9044 9.9549 9.9549 10.5013 10.5013 10.7516 10.7516 11.9841 11.9841 12.6006 12.6006 k = 0.4783-0.2437 0.2131 ( 3655 PWs) bands (ev): -18.1887 -18.1887 -18.1747 -18.1747 -12.6899 -12.6899 -12.5886 -12.5886 -5.3312 -5.3312 -4.9090 -4.9090 -3.8253 -3.8253 -3.2815 -3.2815 -3.1170 -3.1170 -2.7556 -2.7556 -0.4852 -0.4852 -0.2327 -0.2327 2.3878 2.3878 2.7722 2.7722 3.0456 3.0456 3.2862 3.2862 3.4505 3.4505 3.9859 3.9859 7.9097 7.9097 9.9471 9.9471 10.4934 10.4934 10.7482 10.7482 11.9870 11.9870 12.5907 12.5907 k = 0.4674-0.2382 0.2082 ( 3656 PWs) bands (ev): -18.1898 -18.1898 -18.1746 -18.1746 -12.6888 -12.6888 -12.5892 -12.5892 -5.3286 -5.3286 -4.9081 -4.9081 -3.8221 -3.8221 -3.2801 -3.2801 -3.1149 -3.1149 -2.7559 -2.7559 -0.4851 -0.4851 -0.2324 -0.2324 2.3914 2.3914 2.7665 2.7665 3.0328 3.0328 3.2951 3.2951 3.4494 3.4494 3.9851 3.9851 7.9184 7.9184 9.9343 9.9343 10.4803 10.4803 10.7426 10.7426 11.9908 11.9908 12.5759 12.5759 k = 0.4565-0.2326 0.2034 ( 3659 PWs) bands (ev): -18.1913 -18.1913 -18.1744 -18.1744 -12.6874 -12.6874 -12.5900 -12.5900 -5.3251 -5.3251 -4.9068 -4.9068 -3.8178 -3.8178 -3.2782 -3.2782 -3.1121 -3.1121 -2.7563 -2.7563 -0.4851 -0.4851 -0.2319 -0.2319 2.3964 2.3964 2.7587 2.7587 3.0168 3.0168 3.3044 3.3044 3.4492 3.4492 3.9839 3.9839 7.9306 7.9306 9.9169 9.9169 10.4623 10.4623 10.7348 10.7348 11.9940 11.9940 12.5588 12.5588 k = 0.4457-0.2271 0.1986 ( 3657 PWs) bands (ev): -18.1932 -18.1932 -18.1742 -18.1742 -12.6855 -12.6855 -12.5911 -12.5911 -5.3205 -5.3205 -4.9053 -4.9053 -3.8122 -3.8122 -3.2757 -3.2757 -3.1085 -3.1085 -2.7568 -2.7568 -0.4852 -0.4852 -0.2315 -0.2315 2.4027 2.4027 2.7490 2.7490 2.9987 2.9987 3.3119 3.3119 3.4509 3.4509 3.9823 3.9823 7.9461 7.9461 9.8952 9.8952 10.4397 10.4397 10.7249 10.7249 11.9947 11.9947 12.5424 12.5424 k = 0.4348-0.2216 0.1937 ( 3657 PWs) bands (ev): -18.1953 -18.1953 -18.1741 -18.1741 -12.6833 -12.6833 -12.5924 -12.5924 -5.3151 -5.3151 -4.9033 -4.9033 -3.8054 -3.8054 -3.2725 -3.2725 -3.1042 -3.1042 -2.7575 -2.7575 -0.4852 -0.4852 -0.2310 -0.2310 2.4103 2.4103 2.7378 2.7378 2.9792 2.9792 3.3155 3.3155 3.4558 3.4558 3.9801 3.9801 7.9648 7.9648 9.8696 9.8696 10.4126 10.4126 10.7130 10.7130 11.9906 11.9906 12.5297 12.5297 k = 0.4239-0.2160 0.1889 ( 3659 PWs) bands (ev): -18.1977 -18.1977 -18.1740 -18.1740 -12.6806 -12.6806 -12.5939 -12.5939 -5.3086 -5.3086 -4.9011 -4.9011 -3.7974 -3.7974 -3.2688 -3.2688 -3.0991 -3.0991 -2.7582 -2.7582 -0.4853 -0.4853 -0.2305 -0.2305 2.4189 2.4189 2.7253 2.7253 2.9589 2.9589 3.3140 3.3140 3.4647 3.4647 3.9772 3.9772 7.9867 7.9867 9.8408 9.8408 10.3814 10.3814 10.6992 10.6992 11.9797 11.9797 12.5236 12.5236 k = 0.4130-0.2105 0.1840 ( 3661 PWs) bands (ev): -18.2004 -18.2004 -18.1740 -18.1740 -12.6777 -12.6777 -12.5956 -12.5956 -5.3013 -5.3013 -4.8985 -4.8985 -3.7881 -3.7881 -3.2645 -3.2645 -3.0933 -3.0933 -2.7591 -2.7591 -0.4855 -0.4855 -0.2300 -0.2300 2.4285 2.4285 2.7119 2.7119 2.9382 2.9382 3.3071 3.3071 3.4773 3.4773 3.9736 3.9736 8.0116 8.0116 9.8092 9.8092 10.3466 10.3466 10.6835 10.6835 11.9607 11.9607 12.5257 12.5257 k = 0.4022-0.2049 0.1792 ( 3666 PWs) bands (ev): -18.2034 -18.2034 -18.1740 -18.1740 -12.6743 -12.6743 -12.5975 -12.5975 -5.2931 -5.2931 -4.8957 -4.8957 -3.7776 -3.7776 -3.2595 -3.2595 -3.0869 -3.0869 -2.7600 -2.7600 -0.4858 -0.4858 -0.2296 -0.2296 2.4388 2.4388 2.6980 2.6980 2.9174 2.9174 3.2955 3.2955 3.4926 3.4926 3.9690 3.9690 8.0394 8.0394 9.7754 9.7754 10.3083 10.3083 10.6661 10.6661 11.9338 11.9338 12.5362 12.5362 k = 0.3913-0.1994 0.1743 ( 3665 PWs) bands (ev): -18.2066 -18.2066 -18.1741 -18.1741 -12.6707 -12.6707 -12.5996 -12.5996 -5.2841 -5.2841 -4.8925 -4.8925 -3.7660 -3.7660 -3.2539 -3.2539 -3.0799 -3.0799 -2.7610 -2.7610 -0.4863 -0.4863 -0.2294 -0.2294 2.4494 2.4494 2.6841 2.6841 2.8968 2.8968 3.2803 3.2803 3.5096 3.5096 3.9635 3.9635 8.0697 8.0697 9.7398 9.7398 10.2671 10.2671 10.6470 10.6470 11.9000 11.9000 12.5542 12.5542 k = 0.3804-0.1939 0.1695 ( 3665 PWs) bands (ev): -18.2100 -18.2100 -18.1743 -18.1743 -12.6668 -12.6668 -12.6019 -12.6019 -5.2744 -5.2744 -4.8891 -4.8891 -3.7532 -3.7532 -3.2476 -3.2476 -3.0723 -3.0723 -2.7621 -2.7621 -0.4869 -0.4869 -0.2295 -0.2295 2.4599 2.4599 2.6707 2.6707 2.8768 2.8768 3.2619 3.2619 3.5274 3.5274 3.9569 3.9569 8.1025 8.1025 9.7029 9.7029 10.2233 10.2233 10.6266 10.6266 11.8611 11.8611 12.5781 12.5781 k = 0.3696-0.1883 0.1647 ( 3662 PWs) bands (ev): -18.2137 -18.2137 -18.1745 -18.1745 -12.6626 -12.6626 -12.6043 -12.6043 -5.2639 -5.2639 -4.8854 -4.8854 -3.7392 -3.7392 -3.2406 -3.2406 -3.0642 -3.0642 -2.7633 -2.7633 -0.4877 -0.4877 -0.2298 -0.2298 2.4697 2.4697 2.6585 2.6585 2.8576 2.8576 3.2411 3.2411 3.5454 3.5454 3.9492 3.9492 8.1375 8.1375 9.6653 9.6653 10.1772 10.1772 10.6047 10.6047 11.8187 11.8187 12.6060 12.6060 k = 0.3587-0.1828 0.1598 ( 3663 PWs) bands (ev): -18.2175 -18.2175 -18.1747 -18.1747 -12.6581 -12.6581 -12.6068 -12.6068 -5.2528 -5.2528 -4.8816 -4.8816 -3.7241 -3.7241 -3.2329 -3.2329 -3.0556 -3.0556 -2.7646 -2.7646 -0.4887 -0.4887 -0.2305 -0.2305 2.4777 2.4777 2.6485 2.6485 2.8396 2.8396 3.2182 3.2182 3.5630 3.5630 3.9403 3.9403 8.1744 8.1744 9.6271 9.6271 10.1292 10.1292 10.5817 10.5817 11.7746 11.7746 12.6364 12.6364 k = 0.3478-0.1772 0.1550 ( 3668 PWs) bands (ev): -18.2216 -18.2216 -18.1750 -18.1750 -12.6536 -12.6536 -12.6093 -12.6093 -5.2410 -5.2410 -4.8774 -4.8774 -3.7079 -3.7079 -3.2245 -3.2245 -3.0465 -3.0465 -2.7659 -2.7659 -0.4900 -0.4900 -0.2317 -0.2317 2.4830 2.4830 2.6415 2.6415 2.8232 2.8232 3.1935 3.1935 3.5798 3.5798 3.9301 3.9301 8.2128 8.2128 9.5888 9.5888 10.0797 10.0797 10.5575 10.5575 11.7301 11.7301 12.6676 12.6676 k = 0.3370-0.1717 0.1501 ( 3669 PWs) bands (ev): -18.2257 -18.2257 -18.1754 -18.1754 -12.6489 -12.6489 -12.6119 -12.6119 -5.2287 -5.2287 -4.8732 -4.8732 -3.6906 -3.6906 -3.2154 -3.2154 -3.0371 -3.0371 -2.7673 -2.7673 -0.4915 -0.4915 -0.2334 -0.2334 2.4847 2.4847 2.6383 2.6383 2.8088 2.8088 3.1674 3.1674 3.5955 3.5955 3.9187 3.9187 8.2526 8.2526 9.5507 9.5507 10.0289 10.0289 10.5325 10.5325 11.6863 11.6863 12.6984 12.6984 k = 0.3261-0.1662 0.1453 ( 3668 PWs) bands (ev): -18.2301 -18.2301 -18.1758 -18.1758 -12.6443 -12.6443 -12.6143 -12.6143 -5.2160 -5.2160 -4.8687 -4.8687 -3.6723 -3.6723 -3.2056 -3.2056 -3.0273 -3.0273 -2.7687 -2.7687 -0.4934 -0.4934 -0.2357 -0.2357 2.4822 2.4822 2.6388 2.6388 2.7972 2.7972 3.1400 3.1400 3.6098 3.6098 3.9060 3.9060 8.2933 8.2933 9.5130 9.5130 9.9773 9.9773 10.5067 10.5067 11.6444 11.6444 12.7277 12.7277 k = 0.3152-0.1606 0.1404 ( 3667 PWs) bands (ev): -18.2345 -18.2345 -18.1762 -18.1762 -12.6401 -12.6401 -12.6163 -12.6163 -5.2028 -5.2028 -4.8641 -4.8641 -3.6530 -3.6530 -3.1950 -3.1950 -3.0172 -3.0172 -2.7702 -2.7702 -0.4955 -0.4955 -0.2387 -0.2387 2.4761 2.4761 2.6422 2.6422 2.7891 2.7891 3.1117 3.1117 3.6223 3.6223 3.8923 3.8923 8.3346 8.3346 9.4760 9.4760 9.9252 9.9252 10.4803 10.4803 11.6051 11.6051 12.7547 12.7547 k = 0.3043-0.1551 0.1356 ( 3666 PWs) bands (ev): -18.2391 -18.2391 -18.1766 -18.1766 -12.6368 -12.6368 -12.6172 -12.6172 -5.1892 -5.1892 -4.8594 -4.8594 -3.6328 -3.6328 -3.1837 -3.1837 -3.0069 -3.0069 -2.7716 -2.7716 -0.4980 -0.4980 -0.2425 -0.2425 2.4672 2.4672 2.6466 2.6466 2.7853 2.7853 3.0825 3.0825 3.6328 3.6328 3.8776 3.8776 8.3760 8.3760 9.4399 9.4399 9.8729 9.8729 10.4535 10.4535 11.5692 11.5692 12.7786 12.7786 k = 0.2935-0.1496 0.1308 ( 3669 PWs) bands (ev): -18.2437 -18.2437 -18.1771 -18.1771 -12.6354 -12.6354 -12.6163 -12.6163 -5.1754 -5.1754 -4.8546 -4.8546 -3.6116 -3.6116 -3.1717 -3.1717 -2.9964 -2.9964 -2.7732 -2.7732 -0.5009 -0.5009 -0.2472 -0.2472 2.4566 2.4566 2.6507 2.6507 2.7865 2.7865 3.0529 3.0529 3.6409 3.6409 3.8622 3.8622 8.4172 8.4172 9.4047 9.4047 9.8206 9.8206 10.4263 10.4263 11.5373 11.5373 12.7988 12.7988 k = 0.2826-0.1440 0.1259 ( 3669 PWs) bands (ev): -18.2484 -18.2484 -18.1776 -18.1776 -12.6361 -12.6361 -12.6132 -12.6132 -5.1613 -5.1613 -4.8497 -4.8497 -3.5897 -3.5897 -3.1589 -3.1589 -2.9857 -2.9857 -2.7747 -2.7747 -0.5042 -0.5042 -0.2528 -0.2528 2.4452 2.4452 2.6534 2.6534 2.7927 2.7927 3.0230 3.0230 3.6460 3.6460 3.8465 3.8465 8.4577 8.4577 9.3705 9.3705 9.7687 9.7687 10.3990 10.3990 11.5100 11.5100 12.8149 12.8149 k = 0.2717-0.1385 0.1211 ( 3673 PWs) bands (ev): -18.2532 -18.2532 -18.1781 -18.1781 -12.6382 -12.6382 -12.6088 -12.6088 -5.1471 -5.1471 -4.8448 -4.8448 -3.5670 -3.5670 -3.1455 -3.1455 -2.9750 -2.9750 -2.7762 -2.7762 -0.5078 -0.5078 -0.2594 -0.2594 2.4336 2.4336 2.6547 2.6547 2.8032 2.8032 2.9935 2.9935 3.6476 3.6476 3.8311 3.8311 8.4972 8.4972 9.3375 9.3375 9.7175 9.7175 10.3716 10.3716 11.4879 11.4879 12.8266 12.8266 k = 0.2609-0.1329 0.1162 ( 3678 PWs) bands (ev): -18.2580 -18.2580 -18.1786 -18.1786 -12.6410 -12.6410 -12.6036 -12.6036 -5.1328 -5.1328 -4.8399 -4.8399 -3.5437 -3.5437 -3.1313 -3.1313 -2.9642 -2.9642 -2.7777 -2.7777 -0.5118 -0.5118 -0.2671 -0.2671 2.4223 2.4223 2.6552 2.6552 2.8161 2.8161 2.9652 2.9652 3.6450 3.6450 3.8165 3.8165 8.5351 8.5351 9.3055 9.3055 9.6673 9.6673 10.3443 10.3443 11.4713 11.4713 12.8337 12.8337 k = 0.2500-0.1274 0.1114 ( 3677 PWs) bands (ev): -18.2628 -18.2628 -18.1791 -18.1791 -12.6441 -12.6441 -12.5981 -12.5981 -5.1185 -5.1185 -4.8350 -4.8350 -3.5198 -3.5198 -3.1165 -3.1165 -2.9535 -2.9535 -2.7793 -2.7793 -0.5162 -0.5162 -0.2759 -0.2759 2.4119 2.4119 2.6555 2.6555 2.8287 2.8287 2.9401 2.9401 3.6376 3.6376 3.8035 3.8035 8.5712 8.5712 9.2747 9.2747 9.6184 9.6184 10.3173 10.3173 11.4607 11.4607 12.8360 12.8360 k = 0.2391-0.1219 0.1065 ( 3671 PWs) bands (ev): -18.2676 -18.2676 -18.1796 -18.1796 -12.6473 -12.6473 -12.5925 -12.5925 -5.1042 -5.1042 -4.8302 -4.8302 -3.4954 -3.4954 -3.1010 -3.1010 -2.9428 -2.9428 -2.7807 -2.7807 -0.5210 -0.5210 -0.2858 -0.2858 2.4025 2.4025 2.6562 2.6562 2.8353 2.8353 2.9231 2.9231 3.6251 3.6251 3.7923 3.7923 8.6051 8.6051 9.2449 9.2449 9.5710 9.5710 10.2907 10.2907 11.4563 11.4563 12.8336 12.8336 k = 0.2283-0.1163 0.1017 ( 3671 PWs) bands (ev): -18.2723 -18.2723 -18.1802 -18.1802 -12.6507 -12.6507 -12.5867 -12.5867 -5.0901 -5.0901 -4.8254 -4.8254 -3.4707 -3.4707 -3.0848 -3.0848 -2.9323 -2.9323 -2.7822 -2.7822 -0.5261 -0.5261 -0.2968 -0.2968 2.3945 2.3945 2.6577 2.6577 2.8283 2.8283 2.9214 2.9214 3.6077 3.6077 3.7828 3.7828 8.6365 8.6365 9.2160 9.2160 9.5254 9.5254 10.2645 10.2645 11.4582 11.4582 12.8266 12.8266 k = 0.2174-0.1108 0.0969 ( 3675 PWs) bands (ev): -18.2770 -18.2770 -18.1807 -18.1807 -12.6541 -12.6541 -12.5810 -12.5810 -5.0761 -5.0761 -4.8207 -4.8207 -3.4458 -3.4458 -3.0681 -3.0681 -2.9219 -2.9219 -2.7836 -2.7836 -0.5315 -0.5315 -0.3089 -0.3089 2.3882 2.3882 2.6599 2.6599 2.8091 2.8091 2.9332 2.9332 3.5859 3.5859 3.7748 3.7748 8.6652 8.6652 9.1879 9.1879 9.4819 9.4819 10.2390 10.2390 11.4666 11.4666 12.8150 12.8150 k = 0.2065-0.1052 0.0920 ( 3676 PWs) bands (ev): -18.2816 -18.2816 -18.1812 -18.1812 -12.6575 -12.6575 -12.5754 -12.5754 -5.0623 -5.0623 -4.8162 -4.8162 -3.4209 -3.4209 -3.0509 -3.0509 -2.9118 -2.9118 -2.7850 -2.7850 -0.5373 -0.5373 -0.3221 -0.3221 2.3836 2.3836 2.6628 2.6628 2.7850 2.7850 2.9514 2.9514 3.5605 3.5605 3.7675 3.7675 8.6911 8.6911 9.1605 9.1605 9.4406 9.4406 10.2142 10.2142 11.4814 11.4814 12.7992 12.7992 k = 0.1957-0.0997 0.0872 ( 3675 PWs) bands (ev): -18.2860 -18.2860 -18.1817 -18.1817 -12.6608 -12.6608 -12.5698 -12.5698 -5.0488 -5.0488 -4.8117 -4.8117 -3.3960 -3.3960 -3.0332 -3.0332 -2.9019 -2.9019 -2.7862 -2.7862 -0.5434 -0.5434 -0.3363 -0.3363 2.3810 2.3810 2.6659 2.6659 2.7603 2.7603 2.9720 2.9720 3.5322 3.5322 3.7605 3.7605 8.7142 8.7142 9.1336 9.1336 9.4020 9.4020 10.1902 10.1902 11.5023 11.5023 12.7795 12.7795 k = 0.1848-0.0942 0.0823 ( 3679 PWs) bands (ev): -18.2904 -18.2904 -18.1823 -18.1823 -12.6641 -12.6641 -12.5644 -12.5644 -5.0357 -5.0357 -4.8075 -4.8075 -3.3714 -3.3714 -3.0152 -3.0152 -2.8924 -2.8924 -2.7874 -2.7874 -0.5497 -0.5497 -0.3514 -0.3514 2.3804 2.3804 2.6675 2.6675 2.7381 2.7381 2.9932 2.9932 3.5017 3.5017 3.7533 3.7533 8.7345 8.7345 9.1072 9.1072 9.3660 9.3660 10.1671 10.1671 11.5289 11.5289 12.7563 12.7563 k = 0.1739-0.0886 0.0775 ( 3678 PWs) bands (ev): -18.2947 -18.2947 -18.1828 -18.1828 -12.6673 -12.6673 -12.5591 -12.5591 -5.0230 -5.0230 -4.8034 -4.8034 -3.3471 -3.3471 -2.9968 -2.9968 -2.8832 -2.8832 -2.7884 -2.7884 -0.5562 -0.5562 -0.3673 -0.3673 2.3820 2.3820 2.6638 2.6638 2.7228 2.7228 3.0141 3.0141 3.4696 3.4696 3.7457 3.7457 8.7520 8.7520 9.0811 9.0811 9.3328 9.3328 10.1450 10.1450 11.5607 11.5607 12.7302 12.7302 k = 0.1630-0.0831 0.0726 ( 3676 PWs) bands (ev): -18.2987 -18.2987 -18.1832 -18.1832 -12.6704 -12.6704 -12.5540 -12.5540 -5.0107 -5.0107 -4.7996 -4.7996 -3.3234 -3.3234 -2.9784 -2.9784 -2.8744 -2.8744 -2.7893 -2.7893 -0.5630 -0.5630 -0.3839 -0.3839 2.3857 2.3857 2.6510 2.6510 2.7187 2.7187 3.0341 3.0341 3.4366 3.4366 3.7375 3.7375 8.7669 8.7669 9.0555 9.0555 9.3024 9.3024 10.1240 10.1240 11.5969 11.5969 12.7018 12.7018 k = 0.1522-0.0775 0.0678 ( 3679 PWs) bands (ev): -18.3026 -18.3026 -18.1837 -18.1837 -12.6734 -12.6734 -12.5491 -12.5491 -4.9989 -4.9989 -4.7960 -4.7960 -3.3004 -3.3004 -2.9600 -2.9600 -2.8660 -2.8660 -2.7899 -2.7899 -0.5699 -0.5699 -0.4008 -0.4008 2.3916 2.3916 2.6321 2.6321 2.7229 2.7229 3.0523 3.0523 3.4035 3.4035 3.7287 3.7287 8.7794 8.7794 9.0305 9.0305 9.2748 9.2748 10.1041 10.1041 11.6367 11.6367 12.6720 12.6720 k = 0.1413-0.0720 0.0630 ( 3680 PWs) bands (ev): -18.3063 -18.3063 -18.1841 -18.1841 -12.6763 -12.6763 -12.5444 -12.5444 -4.9877 -4.9877 -4.7926 -4.7926 -3.2782 -3.2782 -2.9419 -2.9419 -2.8579 -2.8579 -2.7902 -2.7902 -0.5769 -0.5769 -0.4180 -0.4180 2.3995 2.3995 2.6115 2.6115 2.7312 2.7312 3.0678 3.0678 3.3711 3.3711 3.7192 3.7192 8.7897 8.7897 9.0061 9.0061 9.2498 9.2498 10.0854 10.0854 11.6790 11.6790 12.6413 12.6413 k = 0.1304-0.0665 0.0581 ( 3674 PWs) bands (ev): -18.3098 -18.3098 -18.1845 -18.1845 -12.6790 -12.6790 -12.5400 -12.5400 -4.9770 -4.9770 -4.7894 -4.7894 -3.2570 -3.2570 -2.9245 -2.9245 -2.8502 -2.8502 -2.7901 -2.7901 -0.5840 -0.5840 -0.4352 -0.4352 2.4091 2.4091 2.5915 2.5915 2.7416 2.7416 3.0794 3.0794 3.3409 3.3409 3.7092 3.7092 8.7979 8.7979 8.9828 8.9828 9.2274 9.2274 10.0679 10.0679 11.7225 11.7225 12.6107 12.6107 k = 0.1196-0.0609 0.0533 ( 3672 PWs) bands (ev): -18.3131 -18.3131 -18.1849 -18.1849 -12.6815 -12.6815 -12.5359 -12.5359 -4.9670 -4.9670 -4.7866 -4.7866 -3.2369 -3.2369 -2.9082 -2.9082 -2.8428 -2.8428 -2.7895 -2.7895 -0.5912 -0.5912 -0.4520 -0.4520 2.4200 2.4200 2.5734 2.5734 2.7531 2.7531 3.0854 3.0854 3.3146 3.3146 3.6987 3.6987 8.8043 8.8043 8.9608 8.9608 9.2074 9.2074 10.0517 10.0517 11.7661 11.7661 12.5806 12.5806 k = 0.1087-0.0554 0.0484 ( 3672 PWs) bands (ev): -18.3161 -18.3161 -18.1853 -18.1853 -12.6839 -12.6839 -12.5321 -12.5321 -4.9577 -4.9577 -4.7840 -4.7840 -3.2181 -3.2181 -2.8934 -2.8934 -2.8355 -2.8355 -2.7883 -2.7883 -0.5984 -0.5984 -0.4683 -0.4683 2.4312 2.4312 2.5585 2.5585 2.7653 2.7653 3.0836 3.0836 3.2944 3.2944 3.6879 3.6879 8.8087 8.8087 8.9406 8.9406 9.1895 9.1895 10.0368 10.0368 11.8084 11.8084 12.5517 12.5517 k = 0.0978-0.0499 0.0436 ( 3670 PWs) bands (ev): -18.3189 -18.3189 -18.1856 -18.1856 -12.6860 -12.6860 -12.5286 -12.5286 -4.9491 -4.9491 -4.7816 -4.7816 -3.2007 -3.2007 -2.8807 -2.8807 -2.8282 -2.8282 -2.7861 -2.7861 -0.6057 -0.6057 -0.4837 -0.4837 2.4411 2.4411 2.5486 2.5486 2.7776 2.7776 3.0725 3.0725 3.2818 3.2818 3.6771 3.6771 8.8114 8.8114 8.9224 8.9224 9.1737 9.1737 10.0232 10.0232 11.8480 11.8480 12.5245 12.5245 k = 0.0870-0.0443 0.0387 ( 3672 PWs) bands (ev): -18.3215 -18.3215 -18.1859 -18.1859 -12.6880 -12.6880 -12.5254 -12.5254 -4.9413 -4.9413 -4.7795 -4.7795 -3.1847 -3.1847 -2.8705 -2.8705 -2.8211 -2.8211 -2.7828 -2.7828 -0.6129 -0.6129 -0.4980 -0.4980 2.4472 2.4472 2.5462 2.5462 2.7899 2.7899 3.0525 3.0525 3.2766 3.2766 3.6663 3.6663 8.8122 8.8122 8.9068 8.9068 9.1598 9.1598 10.0111 10.0111 11.8839 11.8839 12.4992 12.4992 k = 0.0761-0.0388 0.0339 ( 3671 PWs) bands (ev): -18.3237 -18.3237 -18.1862 -18.1862 -12.6898 -12.6898 -12.5225 -12.5225 -4.9343 -4.9343 -4.7777 -4.7777 -3.1704 -3.1704 -2.8629 -2.8629 -2.8145 -2.8145 -2.7781 -2.7781 -0.6199 -0.6199 -0.5109 -0.5109 2.4478 2.4478 2.5530 2.5530 2.8017 2.8017 3.0258 3.0258 3.2769 3.2769 3.6559 3.6559 8.8111 8.8111 8.8941 8.8941 9.1478 9.1478 10.0003 10.0003 11.9152 11.9152 12.4762 12.4762 k = 0.0652-0.0332 0.0291 ( 3670 PWs) bands (ev): -18.3257 -18.3257 -18.1864 -18.1864 -12.6913 -12.6913 -12.5200 -12.5200 -4.9282 -4.9282 -4.7762 -4.7762 -3.1577 -3.1577 -2.8574 -2.8574 -2.8090 -2.8090 -2.7721 -2.7721 -0.6266 -0.6266 -0.5222 -0.5222 2.4441 2.4441 2.5677 2.5677 2.8127 2.8127 2.9949 2.9949 3.2803 3.2803 3.6461 3.6461 8.8083 8.8083 8.8845 8.8845 9.1375 9.1375 9.9909 9.9909 11.9415 11.9415 12.4559 12.4559 k = 0.0543-0.0277 0.0242 ( 3667 PWs) bands (ev): -18.3274 -18.3274 -18.1867 -18.1867 -12.6926 -12.6926 -12.5179 -12.5179 -4.9229 -4.9229 -4.7749 -4.7749 -3.1468 -3.1468 -2.8537 -2.8537 -2.8047 -2.8047 -2.7654 -2.7654 -0.6329 -0.6329 -0.5318 -0.5318 2.4383 2.4383 2.5879 2.5879 2.8226 2.8226 2.9618 2.9618 3.2851 3.2851 3.6372 3.6372 8.8041 8.8041 8.8777 8.8777 9.1289 9.1289 9.9829 9.9829 11.9628 11.9628 12.4383 12.4383 k = 0.0435-0.0222 0.0194 ( 3669 PWs) bands (ev): -18.3288 -18.3288 -18.1868 -18.1868 -12.6937 -12.6937 -12.5162 -12.5162 -4.9185 -4.9185 -4.7739 -4.7739 -3.1378 -3.1378 -2.8513 -2.8513 -2.8016 -2.8016 -2.7586 -2.7586 -0.6385 -0.6385 -0.5396 -0.5396 2.4321 2.4321 2.6111 2.6111 2.8311 2.8311 2.9283 2.9283 3.2901 3.2901 3.6294 3.6294 8.7994 8.7994 8.8731 8.8731 9.1219 9.1219 9.9764 9.9764 11.9792 11.9792 12.4236 12.4236 k = 0.0326-0.0166 0.0145 ( 3674 PWs) bands (ev): -18.3299 -18.3299 -18.1870 -18.1870 -12.6946 -12.6946 -12.5148 -12.5148 -4.9151 -4.9151 -4.7731 -4.7731 -3.1307 -3.1307 -2.8497 -2.8497 -2.7993 -2.7993 -2.7526 -2.7526 -0.6432 -0.6432 -0.5456 -0.5456 2.4267 2.4267 2.6356 2.6356 2.8377 2.8377 2.8962 2.8962 3.2945 3.2945 3.6230 3.6230 8.7950 8.7950 8.8702 8.8702 9.1165 9.1165 9.9713 9.9713 11.9913 11.9913 12.4121 12.4121 k = 0.0217-0.0111 0.0097 ( 3677 PWs) bands (ev): -18.3306 -18.3306 -18.1870 -18.1870 -12.6952 -12.6952 -12.5138 -12.5138 -4.9126 -4.9126 -4.7725 -4.7725 -3.1255 -3.1255 -2.8488 -2.8488 -2.7978 -2.7978 -2.7479 -2.7479 -0.6467 -0.6467 -0.5499 -0.5499 2.4226 2.4226 2.6591 2.6591 2.8415 2.8415 2.8684 2.8684 3.2979 3.2979 3.6183 3.6183 8.7914 8.7914 8.8685 8.8685 9.1127 9.1127 9.9676 9.9676 11.9995 11.9995 12.4038 12.4038 k = 0.0109-0.0055 0.0048 ( 3677 PWs) bands (ev): -18.3311 -18.3311 -18.1871 -18.1871 -12.6956 -12.6956 -12.5132 -12.5132 -4.9111 -4.9111 -4.7722 -4.7722 -3.1225 -3.1225 -2.8483 -2.8483 -2.7970 -2.7970 -2.7450 -2.7450 -0.6489 -0.6489 -0.5524 -0.5524 2.4200 2.4200 2.6777 2.6777 2.8373 2.8373 2.8537 2.8537 3.3001 3.3001 3.6154 3.6154 8.7890 8.7890 8.8676 8.8676 9.1104 9.1104 9.9655 9.9655 12.0042 12.0042 12.3988 12.3988 k = 0.0000 0.0000 0.0000 ( 3677 PWs) bands (ev): -18.3313 -18.3313 -18.1871 -18.1871 -12.6957 -12.6957 -12.5130 -12.5130 -4.9106 -4.9106 -4.7721 -4.7721 -3.1214 -3.1214 -2.8481 -2.8481 -2.7967 -2.7967 -2.7440 -2.7440 -0.6497 -0.6497 -0.5533 -0.5533 2.4191 2.4191 2.6852 2.6852 2.8313 2.8313 2.8522 2.8522 3.3008 3.3008 3.6144 3.6144 8.7882 8.7882 8.8673 8.8673 9.1097 9.1097 9.9647 9.9647 12.0057 12.0057 12.3971 12.3971 Writing output data file BaN2.save init_run : 0.23s CPU 0.36s WALL ( 1 calls) electrons : 130.68s CPU 133.05s 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 : 130.68s CPU 133.04s 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 : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 356 calls) cegterg : 121.63s CPU 123.40s WALL ( 416 calls) Called by sum_band: Called by *egterg: h_psi : 60.92s CPU 62.56s WALL ( 7710 calls) s_psi : 3.61s CPU 3.64s WALL ( 7710 calls) g_psi : 0.17s CPU 0.20s WALL ( 6938 calls) cdiaghg : 50.82s CPU 51.10s WALL ( 7294 calls) cegterg:over : 4.66s CPU 4.85s WALL ( 6938 calls) cegterg:upda : 4.01s CPU 4.08s WALL ( 6938 calls) cegterg:last : 2.06s CPU 2.08s WALL ( 1128 calls) cdiaghg:chol : 2.83s CPU 2.82s WALL ( 7294 calls) cdiaghg:inve : 1.98s CPU 1.92s WALL ( 7294 calls) cdiaghg:para : 3.02s CPU 2.94s WALL ( 14588 calls) Called by h_psi: h_psi:vloc : 52.10s CPU 53.50s WALL ( 7710 calls) h_psi:vnl : 8.66s CPU 8.88s WALL ( 7710 calls) add_vuspsi : 4.19s CPU 4.25s WALL ( 7710 calls) General routines calbec : 4.44s CPU 4.61s WALL ( 7710 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 48.20s CPU 49.52s WALL ( 736948 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.22s WALL ( 712 calls) Parallel routines fft_scatter : 18.13s CPU 19.08s WALL ( 736971 calls) PWSCF : 2m25.97s CPU 2m42.66s WALL This run was terminated on: 14:13:51 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=