Program PWSCF v.5.1.1 starts on 14Jun2015 at 6:34:10 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./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: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 16 4 1501 603 92 Max 31 17 5 1510 620 102 Sum 1441 785 231 72269 29301 4659 bravais-lattice index = 14 lattice parameter (alat) = 7.9469 a.u. unit-cell volume = 743.7157 (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)= 7.946889 celldm(2)= 1.000000 celldm(3)= 1.720728 celldm(4)= 0.218723 celldm(5)= 0.218723 celldm(6)= 0.453976 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.453976 0.891014 0.000000 ) a(3) = ( 0.376363 0.230640 1.663148 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.509504 -0.155639 ) b(2) = ( 0.000000 1.122317 -0.155639 ) b(3) = ( 0.000000 0.000000 0.601269 ) PseudoPot. # 1 for Ba read from file: /home/autes/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: /home/autes/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: E 1 i 2 -E -1 -i -2 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 0.0066610 -0.0033835), wk = 0.0028090 k( 3) = ( 0.0217391 0.0133220 -0.0067669), wk = 0.0028090 k( 4) = ( 0.0326087 0.0199830 -0.0101504), wk = 0.0028090 k( 5) = ( 0.0434783 0.0266440 -0.0135338), wk = 0.0028090 k( 6) = ( 0.0543478 0.0333050 -0.0169173), wk = 0.0028090 k( 7) = ( 0.0652174 0.0399660 -0.0203007), wk = 0.0028090 k( 8) = ( 0.0760870 0.0466270 -0.0236842), wk = 0.0028090 k( 9) = ( 0.0869565 0.0532880 -0.0270676), wk = 0.0028090 k( 10) = ( 0.0978261 0.0599490 -0.0304511), wk = 0.0028090 k( 11) = ( 0.1086957 0.0666100 -0.0338346), wk = 0.0028090 k( 12) = ( 0.1195652 0.0732710 -0.0372180), wk = 0.0028090 k( 13) = ( 0.1304348 0.0799320 -0.0406015), wk = 0.0028090 k( 14) = ( 0.1413043 0.0865931 -0.0439849), wk = 0.0028090 k( 15) = ( 0.1521739 0.0932541 -0.0473684), wk = 0.0028090 k( 16) = ( 0.1630435 0.0999151 -0.0507518), wk = 0.0028090 k( 17) = ( 0.1739130 0.1065761 -0.0541353), wk = 0.0028090 k( 18) = ( 0.1847826 0.1132371 -0.0575188), wk = 0.0028090 k( 19) = ( 0.1956522 0.1198981 -0.0609022), wk = 0.0028090 k( 20) = ( 0.2065217 0.1265591 -0.0642857), wk = 0.0028090 k( 21) = ( 0.2173913 0.1332201 -0.0676691), wk = 0.0028090 k( 22) = ( 0.2282609 0.1398811 -0.0710526), wk = 0.0028090 k( 23) = ( 0.2391304 0.1465421 -0.0744360), wk = 0.0028090 k( 24) = ( 0.2500000 0.1532031 -0.0778195), wk = 0.0028090 k( 25) = ( 0.2608696 0.1598641 -0.0812030), wk = 0.0028090 k( 26) = ( 0.2717391 0.1665251 -0.0845864), wk = 0.0028090 k( 27) = ( 0.2826087 0.1731861 -0.0879699), wk = 0.0028090 k( 28) = ( 0.2934783 0.1798471 -0.0913533), wk = 0.0028090 k( 29) = ( 0.3043478 0.1865081 -0.0947368), wk = 0.0028090 k( 30) = ( 0.3152174 0.1931691 -0.0981202), wk = 0.0028090 k( 31) = ( 0.3260870 0.1998301 -0.1015037), wk = 0.0028090 k( 32) = ( 0.3369565 0.2064911 -0.1048871), wk = 0.0028090 k( 33) = ( 0.3478261 0.2131521 -0.1082706), wk = 0.0028090 k( 34) = ( 0.3586956 0.2198131 -0.1116541), wk = 0.0028090 k( 35) = ( 0.3695652 0.2264741 -0.1150375), wk = 0.0028090 k( 36) = ( 0.3804348 0.2331351 -0.1184210), wk = 0.0028090 k( 37) = ( 0.3913044 0.2397961 -0.1218044), wk = 0.0028090 k( 38) = ( 0.4021739 0.2464571 -0.1251879), wk = 0.0028090 k( 39) = ( 0.4130435 0.2531181 -0.1285713), wk = 0.0028090 k( 40) = ( 0.4239130 0.2597792 -0.1319548), wk = 0.0028090 k( 41) = ( 0.4347826 0.2664402 -0.1353383), wk = 0.0028090 k( 42) = ( 0.4456522 0.2731012 -0.1387217), wk = 0.0028090 k( 43) = ( 0.4565217 0.2797622 -0.1421052), wk = 0.0028090 k( 44) = ( 0.4673913 0.2864232 -0.1454886), wk = 0.0028090 k( 45) = ( 0.4782609 0.2930842 -0.1488721), wk = 0.0028090 k( 46) = ( 0.4891304 0.2997452 -0.1522555), wk = 0.0028090 k( 47) = ( 0.5000000 0.3064062 -0.1556390), wk = 0.0028090 k( 48) = ( 0.5000000 0.3064062 -0.1556390), wk = 0.0028090 k( 49) = ( 0.5027343 0.3080818 -0.1435560), wk = 0.0028090 k( 50) = ( 0.5054686 0.3097574 -0.1314730), wk = 0.0028090 k( 51) = ( 0.5082030 0.3114331 -0.1193901), wk = 0.0028090 k( 52) = ( 0.5109373 0.3131087 -0.1073071), wk = 0.0028090 k( 53) = ( 0.5136716 0.3147843 -0.0952241), wk = 0.0028090 k( 54) = ( 0.5164059 0.3164599 -0.0831412), wk = 0.0028090 k( 55) = ( 0.5191402 0.3181356 -0.0710582), wk = 0.0028090 k( 56) = ( 0.5218746 0.3198112 -0.0589752), wk = 0.0028090 k( 57) = ( 0.5246089 0.3214868 -0.0468922), wk = 0.0028090 k( 58) = ( 0.5273432 0.3231624 -0.0348093), wk = 0.0028090 k( 59) = ( 0.5300775 0.3248381 -0.0227263), wk = 0.0028090 k( 60) = ( 0.5328118 0.3265137 -0.0106433), wk = 0.0028090 k( 61) = ( 0.5328118 0.3265137 -0.0106433), wk = 0.0028090 k( 62) = ( 0.5300775 0.3248381 0.0023266), wk = 0.0028090 k( 63) = ( 0.5273432 0.3231624 0.0152965), wk = 0.0028090 k( 64) = ( 0.5246089 0.3214868 0.0282664), wk = 0.0028090 k( 65) = ( 0.5218746 0.3198112 0.0412363), wk = 0.0028090 k( 66) = ( 0.5191402 0.3181356 0.0542063), wk = 0.0028090 k( 67) = ( 0.5164059 0.3164599 0.0671762), wk = 0.0028090 k( 68) = ( 0.5136716 0.3147843 0.0801461), wk = 0.0028090 k( 69) = ( 0.5109373 0.3131087 0.0931160), wk = 0.0028090 k( 70) = ( 0.5082030 0.3114331 0.1060859), wk = 0.0028090 k( 71) = ( 0.5054686 0.3097574 0.1190558), wk = 0.0028090 k( 72) = ( 0.5027343 0.3080818 0.1320258), wk = 0.0028090 k( 73) = ( 0.5000000 0.3064062 0.1449957), wk = 0.0028090 k( 74) = ( 0.5000000 0.3064062 0.1449957), wk = 0.0028090 k( 75) = ( 0.5067327 0.2954196 0.1449957), wk = 0.0028090 k( 76) = ( 0.5134654 0.2844330 0.1449957), wk = 0.0028090 k( 77) = ( 0.5201982 0.2734464 0.1449957), wk = 0.0028090 k( 78) = ( 0.5269309 0.2624598 0.1449957), wk = 0.0028090 k( 79) = ( 0.5336636 0.2514732 0.1449957), wk = 0.0028090 k( 80) = ( 0.5403963 0.2404866 0.1449957), wk = 0.0028090 k( 81) = ( 0.5471290 0.2295000 0.1449957), wk = 0.0028090 k( 82) = ( 0.5538618 0.2185135 0.1449957), wk = 0.0028090 k( 83) = ( 0.5605945 0.2075269 0.1449957), wk = 0.0028090 k( 84) = ( 0.5673272 0.1965403 0.1449957), wk = 0.0028090 k( 85) = ( 0.5740599 0.1855537 0.1449957), wk = 0.0028090 k( 86) = ( 0.5807926 0.1745671 0.1449957), wk = 0.0028090 k( 87) = ( 0.5875253 0.1635805 0.1449957), wk = 0.0028090 k( 88) = ( 0.5942581 0.1525939 0.1449957), wk = 0.0028090 k( 89) = ( 0.6009908 0.1416073 0.1449957), wk = 0.0028090 k( 90) = ( 0.6077235 0.1306207 0.1449957), wk = 0.0028090 k( 91) = ( 0.6144562 0.1196341 0.1449957), wk = 0.0028090 k( 92) = ( 0.6211889 0.1086475 0.1449957), wk = 0.0028090 k( 93) = ( 0.6279217 0.0976609 0.1449957), wk = 0.0028090 k( 94) = ( 0.6346544 0.0866744 0.1449957), wk = 0.0028090 k( 95) = ( 0.6413871 0.0756878 0.1449957), wk = 0.0028090 k( 96) = ( 0.6481198 0.0647012 0.1449957), wk = 0.0028090 k( 97) = ( 0.6548525 0.0537146 0.1449957), wk = 0.0028090 k( 98) = ( 0.6615853 0.0427280 0.1449957), wk = 0.0028090 k( 99) = ( 0.6683180 0.0317414 0.1449957), wk = 0.0028090 k( 100) = ( 0.6750507 0.0207548 0.1449957), wk = 0.0028090 k( 101) = ( 0.3249493 -0.5302591 0.3006347), wk = 0.0028090 k( 102) = ( 0.3180355 -0.5189770 0.3006347), wk = 0.0028090 k( 103) = ( 0.3111217 -0.5076949 0.3006347), wk = 0.0028090 k( 104) = ( 0.3042079 -0.4964128 0.3006347), wk = 0.0028090 k( 105) = ( 0.2972940 -0.4851306 0.3006347), wk = 0.0028090 k( 106) = ( 0.2903802 -0.4738485 0.3006347), wk = 0.0028090 k( 107) = ( 0.2834664 -0.4625664 0.3006347), wk = 0.0028090 k( 108) = ( 0.2765526 -0.4512843 0.3006347), wk = 0.0028090 k( 109) = ( 0.2696388 -0.4400022 0.3006347), wk = 0.0028090 k( 110) = ( 0.2627250 -0.4287201 0.3006347), wk = 0.0028090 k( 111) = ( 0.2558112 -0.4174380 0.3006347), wk = 0.0028090 k( 112) = ( 0.2488973 -0.4061559 0.3006347), wk = 0.0028090 k( 113) = ( 0.2419835 -0.3948738 0.3006347), wk = 0.0028090 k( 114) = ( 0.2350697 -0.3835917 0.3006347), wk = 0.0028090 k( 115) = ( 0.2281559 -0.3723096 0.3006347), wk = 0.0028090 k( 116) = ( 0.2212421 -0.3610275 0.3006347), wk = 0.0028090 k( 117) = ( 0.2143283 -0.3497453 0.3006347), wk = 0.0028090 k( 118) = ( 0.2074145 -0.3384632 0.3006347), wk = 0.0028090 k( 119) = ( 0.2005006 -0.3271811 0.3006347), wk = 0.0028090 k( 120) = ( 0.1935868 -0.3158990 0.3006347), wk = 0.0028090 k( 121) = ( 0.1866730 -0.3046169 0.3006347), wk = 0.0028090 k( 122) = ( 0.1797592 -0.2933348 0.3006347), wk = 0.0028090 k( 123) = ( 0.1728454 -0.2820527 0.3006347), wk = 0.0028090 k( 124) = ( 0.1659316 -0.2707706 0.3006347), wk = 0.0028090 k( 125) = ( 0.1590178 -0.2594885 0.3006347), wk = 0.0028090 k( 126) = ( 0.1521039 -0.2482064 0.3006347), wk = 0.0028090 k( 127) = ( 0.1451901 -0.2369243 0.3006347), wk = 0.0028090 k( 128) = ( 0.1382763 -0.2256422 0.3006347), wk = 0.0028090 k( 129) = ( 0.1313625 -0.2143601 0.3006347), wk = 0.0028090 k( 130) = ( 0.1244487 -0.2030779 0.3006347), wk = 0.0028090 k( 131) = ( 0.1175349 -0.1917958 0.3006347), wk = 0.0028090 k( 132) = ( 0.1106210 -0.1805137 0.3006347), wk = 0.0028090 k( 133) = ( 0.1037072 -0.1692316 0.3006347), wk = 0.0028090 k( 134) = ( 0.0967934 -0.1579495 0.3006347), wk = 0.0028090 k( 135) = ( 0.0898796 -0.1466674 0.3006347), wk = 0.0028090 k( 136) = ( 0.0829658 -0.1353853 0.3006347), wk = 0.0028090 k( 137) = ( 0.0760520 -0.1241032 0.3006347), wk = 0.0028090 k( 138) = ( 0.0691381 -0.1128211 0.3006347), wk = 0.0028090 k( 139) = ( 0.0622243 -0.1015390 0.3006347), wk = 0.0028090 k( 140) = ( 0.0553105 -0.0902569 0.3006347), wk = 0.0028090 k( 141) = ( 0.0483967 -0.0789748 0.3006347), wk = 0.0028090 k( 142) = ( 0.0414829 -0.0676926 0.3006347), wk = 0.0028090 k( 143) = ( 0.0345691 -0.0564105 0.3006347), wk = 0.0028090 k( 144) = ( 0.0276553 -0.0451284 0.3006347), wk = 0.0028090 k( 145) = ( 0.0207415 -0.0338463 0.3006347), wk = 0.0028090 k( 146) = ( 0.0138276 -0.0225642 0.3006347), wk = 0.0028090 k( 147) = ( 0.0069138 -0.0112821 0.3006347), wk = 0.0028090 k( 148) = ( 0.0000000 0.0000000 0.3006347), wk = 0.0028090 k( 149) = ( 0.0000000 0.0000000 0.3006347), wk = 0.0028090 k( 150) = ( 0.0113948 0.0069829 0.3006347), wk = 0.0028090 k( 151) = ( 0.0227897 0.0139658 0.3006347), wk = 0.0028090 k( 152) = ( 0.0341845 0.0209487 0.3006347), wk = 0.0028090 k( 153) = ( 0.0455793 0.0279316 0.3006347), wk = 0.0028090 k( 154) = ( 0.0569742 0.0349145 0.3006347), wk = 0.0028090 k( 155) = ( 0.0683690 0.0418974 0.3006347), wk = 0.0028090 k( 156) = ( 0.0797638 0.0488803 0.3006347), wk = 0.0028090 k( 157) = ( 0.0911587 0.0558632 0.3006347), wk = 0.0028090 k( 158) = ( 0.1025535 0.0628461 0.3006347), wk = 0.0028090 k( 159) = ( 0.1139483 0.0698289 0.3006347), wk = 0.0028090 k( 160) = ( 0.1253432 0.0768118 0.3006347), wk = 0.0028090 k( 161) = ( 0.1367380 0.0837947 0.3006347), wk = 0.0028090 k( 162) = ( 0.1481328 0.0907776 0.3006347), wk = 0.0028090 k( 163) = ( 0.1595277 0.0977605 0.3006347), wk = 0.0028090 k( 164) = ( 0.1709225 0.1047434 0.3006347), wk = 0.0028090 k( 165) = ( 0.1823173 0.1117263 0.3006347), wk = 0.0028090 k( 166) = ( 0.1937122 0.1187092 0.3006347), wk = 0.0028090 k( 167) = ( 0.2051070 0.1256921 0.3006347), wk = 0.0028090 k( 168) = ( 0.2165018 0.1326750 0.3006347), wk = 0.0028090 k( 169) = ( 0.2278967 0.1396579 0.3006347), wk = 0.0028090 k( 170) = ( 0.2392915 0.1466408 0.3006347), wk = 0.0028090 k( 171) = ( 0.2506863 0.1536237 0.3006347), wk = 0.0028090 k( 172) = ( 0.2620812 0.1606066 0.3006347), wk = 0.0028090 k( 173) = ( 0.2734760 0.1675895 0.3006347), wk = 0.0028090 k( 174) = ( 0.2848708 0.1745724 0.3006347), wk = 0.0028090 k( 175) = ( 0.2962657 0.1815553 0.3006347), wk = 0.0028090 k( 176) = ( 0.3076605 0.1885382 0.3006347), wk = 0.0028090 k( 177) = ( 0.3190553 0.1955210 0.3006347), wk = 0.0028090 k( 178) = ( 0.3304502 0.2025039 0.3006347), wk = 0.0028090 k( 179) = ( 0.3418450 0.2094868 0.3006347), wk = 0.0028090 k( 180) = ( 0.3532398 0.2164697 0.3006347), wk = 0.0028090 k( 181) = ( 0.3646347 0.2234526 0.3006347), wk = 0.0028090 k( 182) = ( 0.3760295 0.2304355 0.3006347), wk = 0.0028090 k( 183) = ( 0.3874243 0.2374184 0.3006347), wk = 0.0028090 k( 184) = ( 0.3988192 0.2444013 0.3006347), wk = 0.0028090 k( 185) = ( 0.4102140 0.2513842 0.3006347), wk = 0.0028090 k( 186) = ( 0.4216088 0.2583671 0.3006347), wk = 0.0028090 k( 187) = ( 0.4330037 0.2653500 0.3006347), wk = 0.0028090 k( 188) = ( 0.4443985 0.2723329 0.3006347), wk = 0.0028090 k( 189) = ( 0.4557933 0.2793158 0.3006347), wk = 0.0028090 k( 190) = ( 0.4671882 0.2862987 0.3006347), wk = 0.0028090 k( 191) = ( 0.5000000 0.3064062 -0.1556390), wk = 0.0028090 k( 192) = ( 0.5067955 0.2953171 -0.1556390), wk = 0.0028090 k( 193) = ( 0.5135911 0.2842280 -0.1556390), wk = 0.0028090 k( 194) = ( 0.5203866 0.2731389 -0.1556390), wk = 0.0028090 k( 195) = ( 0.5271822 0.2620497 -0.1556390), wk = 0.0028090 k( 196) = ( 0.5339777 0.2509606 -0.1556390), wk = 0.0028090 k( 197) = ( 0.5407733 0.2398715 -0.1556390), wk = 0.0028090 k( 198) = ( 0.5475688 0.2287824 -0.1556390), wk = 0.0028090 k( 199) = ( 0.5543643 0.2176933 -0.1556390), wk = 0.0028090 k( 200) = ( 0.5611599 0.2066042 -0.1556390), wk = 0.0028090 k( 201) = ( 0.5679554 0.1955151 -0.1556390), wk = 0.0028090 k( 202) = ( 0.5747510 0.1844260 -0.1556390), wk = 0.0028090 k( 203) = ( 0.5815465 0.1733369 -0.1556390), wk = 0.0028090 k( 204) = ( 0.5883421 0.1622478 -0.1556390), wk = 0.0028090 k( 205) = ( 0.5951376 0.1511587 -0.1556390), wk = 0.0028090 k( 206) = ( 0.6019331 0.1400696 -0.1556390), wk = 0.0028090 k( 207) = ( 0.6087287 0.1289804 -0.1556390), wk = 0.0028090 k( 208) = ( 0.6155242 0.1178913 -0.1556390), wk = 0.0028090 k( 209) = ( 0.6223198 0.1068022 -0.1556390), wk = 0.0028090 k( 210) = ( 0.6291153 0.0957131 -0.1556390), wk = 0.0028090 k( 211) = ( 0.6359109 0.0846240 -0.1556390), wk = 0.0028090 k( 212) = ( 0.6427064 0.0735349 -0.1556390), wk = 0.0028090 k( 213) = ( 0.6495019 0.0624458 -0.1556390), wk = 0.0028090 k( 214) = ( 0.3504981 -0.5719500 0.0000000), wk = 0.0028090 k( 215) = ( 0.3436256 -0.5607353 0.0000000), wk = 0.0028090 k( 216) = ( 0.3367530 -0.5495206 0.0000000), wk = 0.0028090 k( 217) = ( 0.3298805 -0.5383059 0.0000000), wk = 0.0028090 k( 218) = ( 0.3230080 -0.5270912 0.0000000), wk = 0.0028090 k( 219) = ( 0.3161355 -0.5158765 0.0000000), wk = 0.0028090 k( 220) = ( 0.3092630 -0.5046618 0.0000000), wk = 0.0028090 k( 221) = ( 0.3023905 -0.4934471 0.0000000), wk = 0.0028090 k( 222) = ( 0.2955180 -0.4822324 0.0000000), wk = 0.0028090 k( 223) = ( 0.2886455 -0.4710177 0.0000000), wk = 0.0028090 k( 224) = ( 0.2817730 -0.4598030 0.0000000), wk = 0.0028090 k( 225) = ( 0.2749004 -0.4485883 0.0000000), wk = 0.0028090 k( 226) = ( 0.2680279 -0.4373736 0.0000000), wk = 0.0028090 k( 227) = ( 0.2611554 -0.4261589 0.0000000), wk = 0.0028090 k( 228) = ( 0.2542829 -0.4149441 0.0000000), wk = 0.0028090 k( 229) = ( 0.2474104 -0.4037294 0.0000000), wk = 0.0028090 k( 230) = ( 0.2405379 -0.3925147 0.0000000), wk = 0.0028090 k( 231) = ( 0.2336654 -0.3813000 0.0000000), wk = 0.0028090 k( 232) = ( 0.2267929 -0.3700853 0.0000000), wk = 0.0028090 k( 233) = ( 0.2199203 -0.3588706 0.0000000), wk = 0.0028090 k( 234) = ( 0.2130478 -0.3476559 0.0000000), wk = 0.0028090 k( 235) = ( 0.2061753 -0.3364412 0.0000000), wk = 0.0028090 k( 236) = ( 0.1993028 -0.3252265 0.0000000), wk = 0.0028090 k( 237) = ( 0.1924303 -0.3140118 0.0000000), wk = 0.0028090 k( 238) = ( 0.1855578 -0.3027971 0.0000000), wk = 0.0028090 k( 239) = ( 0.1786853 -0.2915824 0.0000000), wk = 0.0028090 k( 240) = ( 0.1718128 -0.2803677 0.0000000), wk = 0.0028090 k( 241) = ( 0.1649403 -0.2691530 0.0000000), wk = 0.0028090 k( 242) = ( 0.1580678 -0.2579383 0.0000000), wk = 0.0028090 k( 243) = ( 0.1511952 -0.2467235 0.0000000), wk = 0.0028090 k( 244) = ( 0.1443227 -0.2355088 0.0000000), wk = 0.0028090 k( 245) = ( 0.1374502 -0.2242941 0.0000000), wk = 0.0028090 k( 246) = ( 0.1305777 -0.2130794 0.0000000), wk = 0.0028090 k( 247) = ( 0.1237052 -0.2018647 0.0000000), wk = 0.0028090 k( 248) = ( 0.1168327 -0.1906500 0.0000000), wk = 0.0028090 k( 249) = ( 0.1099602 -0.1794353 0.0000000), wk = 0.0028090 k( 250) = ( 0.1030877 -0.1682206 0.0000000), wk = 0.0028090 k( 251) = ( 0.0962151 -0.1570059 0.0000000), wk = 0.0028090 k( 252) = ( 0.0893426 -0.1457912 0.0000000), wk = 0.0028090 k( 253) = ( 0.0824701 -0.1345765 0.0000000), wk = 0.0028090 k( 254) = ( 0.0755976 -0.1233618 0.0000000), wk = 0.0028090 k( 255) = ( 0.0687251 -0.1121471 0.0000000), wk = 0.0028090 k( 256) = ( 0.0618526 -0.1009324 0.0000000), wk = 0.0028090 k( 257) = ( 0.0549801 -0.0897177 0.0000000), wk = 0.0028090 k( 258) = ( 0.0481076 -0.0785030 0.0000000), wk = 0.0028090 k( 259) = ( 0.0412351 -0.0672882 0.0000000), wk = 0.0028090 k( 260) = ( 0.0343625 -0.0560735 0.0000000), wk = 0.0028090 k( 261) = ( 0.0274900 -0.0448588 0.0000000), wk = 0.0028090 k( 262) = ( 0.0206175 -0.0336441 0.0000000), wk = 0.0028090 k( 263) = ( 0.0137450 -0.0224294 0.0000000), wk = 0.0028090 k( 264) = ( 0.0068725 -0.0112147 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 -0.0059245 -0.0018098), wk = 0.0028090 k( 268) = ( 0.0232558 -0.0118489 -0.0036195), wk = 0.0028090 k( 269) = ( 0.0348837 -0.0177734 -0.0054293), wk = 0.0028090 k( 270) = ( 0.0465116 -0.0236979 -0.0072390), wk = 0.0028090 k( 271) = ( 0.0581395 -0.0296223 -0.0090488), wk = 0.0028090 k( 272) = ( 0.0697674 -0.0355468 -0.0108585), wk = 0.0028090 k( 273) = ( 0.0813954 -0.0414713 -0.0126683), wk = 0.0028090 k( 274) = ( 0.0930233 -0.0473957 -0.0144780), wk = 0.0028090 k( 275) = ( 0.1046512 -0.0533202 -0.0162878), wk = 0.0028090 k( 276) = ( 0.1162791 -0.0592447 -0.0180976), wk = 0.0028090 k( 277) = ( 0.1279070 -0.0651692 -0.0199073), wk = 0.0028090 k( 278) = ( 0.1395349 -0.0710936 -0.0217171), wk = 0.0028090 k( 279) = ( 0.1511628 -0.0770181 -0.0235268), wk = 0.0028090 k( 280) = ( 0.1627907 -0.0829426 -0.0253366), wk = 0.0028090 k( 281) = ( 0.1744186 -0.0888670 -0.0271463), wk = 0.0028090 k( 282) = ( 0.1860465 -0.0947915 -0.0289561), wk = 0.0028090 k( 283) = ( 0.1976744 -0.1007160 -0.0307658), wk = 0.0028090 k( 284) = ( 0.2093023 -0.1066404 -0.0325756), wk = 0.0028090 k( 285) = ( 0.2209302 -0.1125649 -0.0343854), wk = 0.0028090 k( 286) = ( 0.2325581 -0.1184894 -0.0361951), wk = 0.0028090 k( 287) = ( 0.2441860 -0.1244138 -0.0380049), wk = 0.0028090 k( 288) = ( 0.2558140 -0.1303383 -0.0398146), wk = 0.0028090 k( 289) = ( 0.2674419 -0.1362628 -0.0416244), wk = 0.0028090 k( 290) = ( 0.2790698 -0.1421872 -0.0434341), wk = 0.0028090 k( 291) = ( 0.2906977 -0.1481117 -0.0452439), wk = 0.0028090 k( 292) = ( 0.3023256 -0.1540362 -0.0470536), wk = 0.0028090 k( 293) = ( 0.3139535 -0.1599606 -0.0488634), wk = 0.0028090 k( 294) = ( 0.3255814 -0.1658851 -0.0506732), wk = 0.0028090 k( 295) = ( 0.3372093 -0.1718096 -0.0524829), wk = 0.0028090 k( 296) = ( 0.3488372 -0.1777340 -0.0542927), wk = 0.0028090 k( 297) = ( 0.3604651 -0.1836585 -0.0561024), wk = 0.0028090 k( 298) = ( 0.3720930 -0.1895830 -0.0579122), wk = 0.0028090 k( 299) = ( 0.3837209 -0.1955074 -0.0597219), wk = 0.0028090 k( 300) = ( 0.3953488 -0.2014319 -0.0615317), wk = 0.0028090 k( 301) = ( 0.4069767 -0.2073564 -0.0633414), wk = 0.0028090 k( 302) = ( 0.4186047 -0.2132809 -0.0651512), wk = 0.0028090 k( 303) = ( 0.4302326 -0.2192053 -0.0669610), wk = 0.0028090 k( 304) = ( 0.4418605 -0.2251298 -0.0687707), wk = 0.0028090 k( 305) = ( 0.4534884 -0.2310543 -0.0705805), wk = 0.0028090 k( 306) = ( 0.4651163 -0.2369787 -0.0723902), wk = 0.0028090 k( 307) = ( 0.4767442 -0.2429032 -0.0742000), wk = 0.0028090 k( 308) = ( 0.4883721 -0.2488277 -0.0760097), wk = 0.0028090 k( 309) = ( 0.5000000 -0.2547521 -0.0778195), wk = 0.0028090 k( 310) = ( 0.5000000 -0.2547521 0.2228152), wk = 0.0028090 k( 311) = ( 0.4891304 -0.2492140 0.2179714), wk = 0.0028090 k( 312) = ( 0.4782609 -0.2436759 0.2131275), wk = 0.0028090 k( 313) = ( 0.4673913 -0.2381379 0.2082837), wk = 0.0028090 k( 314) = ( 0.4565217 -0.2325998 0.2034399), wk = 0.0028090 k( 315) = ( 0.4456522 -0.2270617 0.1985961), wk = 0.0028090 k( 316) = ( 0.4347826 -0.2215236 0.1937523), wk = 0.0028090 k( 317) = ( 0.4239130 -0.2159855 0.1889085), wk = 0.0028090 k( 318) = ( 0.4130435 -0.2104474 0.1840647), wk = 0.0028090 k( 319) = ( 0.4021739 -0.2049093 0.1792209), wk = 0.0028090 k( 320) = ( 0.3913044 -0.1993712 0.1743771), wk = 0.0028090 k( 321) = ( 0.3804348 -0.1938331 0.1695333), wk = 0.0028090 k( 322) = ( 0.3695652 -0.1882951 0.1646895), wk = 0.0028090 k( 323) = ( 0.3586956 -0.1827570 0.1598457), wk = 0.0028090 k( 324) = ( 0.3478261 -0.1772189 0.1550019), wk = 0.0028090 k( 325) = ( 0.3369565 -0.1716808 0.1501580), wk = 0.0028090 k( 326) = ( 0.3260870 -0.1661427 0.1453142), wk = 0.0028090 k( 327) = ( 0.3152174 -0.1606046 0.1404704), wk = 0.0028090 k( 328) = ( 0.3043478 -0.1550665 0.1356266), wk = 0.0028090 k( 329) = ( 0.2934783 -0.1495284 0.1307828), wk = 0.0028090 k( 330) = ( 0.2826087 -0.1439903 0.1259390), wk = 0.0028090 k( 331) = ( 0.2717391 -0.1384522 0.1210952), wk = 0.0028090 k( 332) = ( 0.2608696 -0.1329142 0.1162514), wk = 0.0028090 k( 333) = ( 0.2500000 -0.1273761 0.1114076), wk = 0.0028090 k( 334) = ( 0.2391304 -0.1218380 0.1065638), wk = 0.0028090 k( 335) = ( 0.2282609 -0.1162999 0.1017200), wk = 0.0028090 k( 336) = ( 0.2173913 -0.1107618 0.0968762), wk = 0.0028090 k( 337) = ( 0.2065217 -0.1052237 0.0920324), wk = 0.0028090 k( 338) = ( 0.1956522 -0.0996856 0.0871885), wk = 0.0028090 k( 339) = ( 0.1847826 -0.0941475 0.0823447), wk = 0.0028090 k( 340) = ( 0.1739130 -0.0886094 0.0775009), wk = 0.0028090 k( 341) = ( 0.1630435 -0.0830713 0.0726571), wk = 0.0028090 k( 342) = ( 0.1521739 -0.0775333 0.0678133), wk = 0.0028090 k( 343) = ( 0.1413043 -0.0719952 0.0629695), wk = 0.0028090 k( 344) = ( 0.1304348 -0.0664571 0.0581257), wk = 0.0028090 k( 345) = ( 0.1195652 -0.0609190 0.0532819), wk = 0.0028090 k( 346) = ( 0.1086957 -0.0553809 0.0484381), wk = 0.0028090 k( 347) = ( 0.0978261 -0.0498428 0.0435943), wk = 0.0028090 k( 348) = ( 0.0869565 -0.0443047 0.0387505), wk = 0.0028090 k( 349) = ( 0.0760870 -0.0387666 0.0339067), wk = 0.0028090 k( 350) = ( 0.0652174 -0.0332285 0.0290628), wk = 0.0028090 k( 351) = ( 0.0543478 -0.0276905 0.0242190), wk = 0.0028090 k( 352) = ( 0.0434783 -0.0221524 0.0193752), wk = 0.0028090 k( 353) = ( 0.0326087 -0.0166143 0.0145314), wk = 0.0028090 k( 354) = ( 0.0217391 -0.0110762 0.0096876), wk = 0.0028090 k( 355) = ( 0.0108696 -0.0055381 0.0048438), 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 0.1086956 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 0.3913043 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) = ( 0.5027343 0.5027343 0.0215113), wk = 0.0028090 k( 50) = ( 0.5054686 0.5054686 0.0430227), wk = 0.0028090 k( 51) = ( 0.5082030 0.5082030 0.0645340), wk = 0.0028090 k( 52) = ( 0.5109373 0.5109373 0.0860453), wk = 0.0028090 k( 53) = ( 0.5136716 0.5136716 0.1075567), wk = 0.0028090 k( 54) = ( 0.5164059 0.5164059 0.1290680), wk = 0.0028090 k( 55) = ( 0.5191402 0.5191402 0.1505793), wk = 0.0028090 k( 56) = ( 0.5218746 0.5218746 0.1720907), wk = 0.0028090 k( 57) = ( 0.5246089 0.5246089 0.1936020), wk = 0.0028090 k( 58) = ( 0.5273432 0.5273432 0.2151134), wk = 0.0028090 k( 59) = ( 0.5300775 0.5300775 0.2366247), wk = 0.0028090 k( 60) = ( 0.5328118 0.5328118 0.2581360), wk = 0.0028090 k( 61) = ( 0.5328118 0.5328118 0.2581360), wk = 0.0028090 k( 62) = ( 0.5300775 0.5300775 0.2782914), wk = 0.0028090 k( 63) = ( 0.5273432 0.5273432 0.2984467), wk = 0.0028090 k( 64) = ( 0.5246089 0.5246089 0.3186020), wk = 0.0028090 k( 65) = ( 0.5218746 0.5218746 0.3387574), wk = 0.0028090 k( 66) = ( 0.5191402 0.5191402 0.3589127), wk = 0.0028090 k( 67) = ( 0.5164059 0.5164059 0.3790680), wk = 0.0028090 k( 68) = ( 0.5136716 0.5136716 0.3992233), wk = 0.0028090 k( 69) = ( 0.5109373 0.5109373 0.4193787), wk = 0.0028090 k( 70) = ( 0.5082030 0.5082030 0.4395340), wk = 0.0028090 k( 71) = ( 0.5054686 0.5054686 0.4596893), wk = 0.0028090 k( 72) = ( 0.5027343 0.5027343 0.4798447), 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) = ( 0.5067327 0.4932673 0.5000000), wk = 0.0028090 k( 76) = ( 0.5134654 0.4865346 0.5000000), wk = 0.0028090 k( 77) = ( 0.5201982 0.4798018 0.5000000), wk = 0.0028090 k( 78) = ( 0.5269309 0.4730691 0.5000000), wk = 0.0028090 k( 79) = ( 0.5336636 0.4663364 0.5000000), wk = 0.0028090 k( 80) = ( 0.5403963 0.4596037 0.5000000), wk = 0.0028090 k( 81) = ( 0.5471290 0.4528710 0.5000000), wk = 0.0028090 k( 82) = ( 0.5538618 0.4461382 0.5000000), wk = 0.0028090 k( 83) = ( 0.5605945 0.4394055 0.5000000), wk = 0.0028090 k( 84) = ( 0.5673272 0.4326728 0.5000000), wk = 0.0028090 k( 85) = ( 0.5740599 0.4259401 0.5000000), wk = 0.0028090 k( 86) = ( 0.5807926 0.4192074 0.5000000), wk = 0.0028090 k( 87) = ( 0.5875253 0.4124747 0.5000000), wk = 0.0028090 k( 88) = ( 0.5942581 0.4057419 0.5000000), wk = 0.0028090 k( 89) = ( 0.6009908 0.3990092 0.5000000), wk = 0.0028090 k( 90) = ( 0.6077235 0.3922765 0.5000000), wk = 0.0028090 k( 91) = ( 0.6144562 0.3855438 0.5000000), wk = 0.0028090 k( 92) = ( 0.6211889 0.3788111 0.5000000), wk = 0.0028090 k( 93) = ( 0.6279217 0.3720783 0.5000000), wk = 0.0028090 k( 94) = ( 0.6346544 0.3653456 0.5000000), wk = 0.0028090 k( 95) = ( 0.6413871 0.3586129 0.5000000), wk = 0.0028090 k( 96) = ( 0.6481198 0.3518802 0.5000000), wk = 0.0028090 k( 97) = ( 0.6548525 0.3451475 0.5000000), wk = 0.0028090 k( 98) = ( 0.6615853 0.3384147 0.5000000), wk = 0.0028090 k( 99) = ( 0.6683180 0.3316820 0.5000000), wk = 0.0028090 k( 100) = ( 0.6750507 0.3249493 0.5000000), wk = 0.0028090 k( 101) = ( 0.3249493 -0.3249493 0.5000000), wk = 0.0028090 k( 102) = ( 0.3180355 -0.3180355 0.5000000), wk = 0.0028090 k( 103) = ( 0.3111217 -0.3111217 0.5000000), wk = 0.0028090 k( 104) = ( 0.3042079 -0.3042079 0.5000000), wk = 0.0028090 k( 105) = ( 0.2972940 -0.2972940 0.5000000), wk = 0.0028090 k( 106) = ( 0.2903802 -0.2903802 0.5000000), wk = 0.0028090 k( 107) = ( 0.2834664 -0.2834664 0.5000000), wk = 0.0028090 k( 108) = ( 0.2765526 -0.2765526 0.5000000), wk = 0.0028090 k( 109) = ( 0.2696388 -0.2696388 0.5000000), wk = 0.0028090 k( 110) = ( 0.2627250 -0.2627250 0.5000000), wk = 0.0028090 k( 111) = ( 0.2558112 -0.2558112 0.5000000), wk = 0.0028090 k( 112) = ( 0.2488973 -0.2488973 0.5000000), wk = 0.0028090 k( 113) = ( 0.2419835 -0.2419835 0.5000000), wk = 0.0028090 k( 114) = ( 0.2350697 -0.2350697 0.5000000), wk = 0.0028090 k( 115) = ( 0.2281559 -0.2281559 0.5000000), wk = 0.0028090 k( 116) = ( 0.2212421 -0.2212421 0.5000000), wk = 0.0028090 k( 117) = ( 0.2143283 -0.2143283 0.5000000), wk = 0.0028090 k( 118) = ( 0.2074145 -0.2074145 0.5000000), wk = 0.0028090 k( 119) = ( 0.2005006 -0.2005006 0.5000000), wk = 0.0028090 k( 120) = ( 0.1935868 -0.1935868 0.5000000), wk = 0.0028090 k( 121) = ( 0.1866730 -0.1866730 0.5000000), wk = 0.0028090 k( 122) = ( 0.1797592 -0.1797592 0.5000000), wk = 0.0028090 k( 123) = ( 0.1728454 -0.1728454 0.5000000), wk = 0.0028090 k( 124) = ( 0.1659316 -0.1659316 0.5000000), wk = 0.0028090 k( 125) = ( 0.1590178 -0.1590178 0.5000000), wk = 0.0028090 k( 126) = ( 0.1521039 -0.1521039 0.5000000), wk = 0.0028090 k( 127) = ( 0.1451901 -0.1451901 0.5000000), wk = 0.0028090 k( 128) = ( 0.1382763 -0.1382763 0.5000000), wk = 0.0028090 k( 129) = ( 0.1313625 -0.1313625 0.5000000), wk = 0.0028090 k( 130) = ( 0.1244487 -0.1244487 0.5000000), wk = 0.0028090 k( 131) = ( 0.1175349 -0.1175349 0.5000000), wk = 0.0028090 k( 132) = ( 0.1106210 -0.1106210 0.5000000), wk = 0.0028090 k( 133) = ( 0.1037072 -0.1037072 0.5000000), wk = 0.0028090 k( 134) = ( 0.0967934 -0.0967934 0.5000000), wk = 0.0028090 k( 135) = ( 0.0898796 -0.0898796 0.5000000), wk = 0.0028090 k( 136) = ( 0.0829658 -0.0829658 0.5000000), wk = 0.0028090 k( 137) = ( 0.0760520 -0.0760520 0.5000000), wk = 0.0028090 k( 138) = ( 0.0691381 -0.0691382 0.5000000), wk = 0.0028090 k( 139) = ( 0.0622243 -0.0622243 0.5000000), wk = 0.0028090 k( 140) = ( 0.0553105 -0.0553105 0.5000000), wk = 0.0028090 k( 141) = ( 0.0483967 -0.0483967 0.5000000), wk = 0.0028090 k( 142) = ( 0.0414829 -0.0414829 0.5000000), wk = 0.0028090 k( 143) = ( 0.0345691 -0.0345691 0.5000000), wk = 0.0028090 k( 144) = ( 0.0276553 -0.0276553 0.5000000), wk = 0.0028090 k( 145) = ( 0.0207415 -0.0207415 0.5000000), wk = 0.0028090 k( 146) = ( 0.0138276 -0.0138276 0.5000000), wk = 0.0028090 k( 147) = ( 0.0069138 -0.0069138 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) = ( 0.0113948 0.0113948 0.5058991), wk = 0.0028090 k( 151) = ( 0.0227897 0.0227897 0.5117982), wk = 0.0028090 k( 152) = ( 0.0341845 0.0341845 0.5176974), wk = 0.0028090 k( 153) = ( 0.0455793 0.0455793 0.5235965), wk = 0.0028090 k( 154) = ( 0.0569742 0.0569742 0.5294956), wk = 0.0028090 k( 155) = ( 0.0683690 0.0683690 0.5353947), wk = 0.0028090 k( 156) = ( 0.0797638 0.0797638 0.5412938), wk = 0.0028090 k( 157) = ( 0.0911587 0.0911587 0.5471930), wk = 0.0028090 k( 158) = ( 0.1025535 0.1025535 0.5530921), wk = 0.0028090 k( 159) = ( 0.1139483 0.1139483 0.5589912), wk = 0.0028090 k( 160) = ( 0.1253432 0.1253432 0.5648903), wk = 0.0028090 k( 161) = ( 0.1367380 0.1367380 0.5707895), wk = 0.0028090 k( 162) = ( 0.1481328 0.1481328 0.5766886), wk = 0.0028090 k( 163) = ( 0.1595277 0.1595277 0.5825877), wk = 0.0028090 k( 164) = ( 0.1709225 0.1709225 0.5884868), wk = 0.0028090 k( 165) = ( 0.1823173 0.1823173 0.5943859), wk = 0.0028090 k( 166) = ( 0.1937122 0.1937122 0.6002851), wk = 0.0028090 k( 167) = ( 0.2051070 0.2051070 0.6061842), wk = 0.0028090 k( 168) = ( 0.2165018 0.2165018 0.6120833), wk = 0.0028090 k( 169) = ( 0.2278967 0.2278967 0.6179824), wk = 0.0028090 k( 170) = ( 0.2392915 0.2392915 0.6238816), wk = 0.0028090 k( 171) = ( 0.2506863 0.2506863 0.6297807), wk = 0.0028090 k( 172) = ( 0.2620812 0.2620812 0.6356798), wk = 0.0028090 k( 173) = ( 0.2734760 0.2734760 0.6415789), wk = 0.0028090 k( 174) = ( 0.2848708 0.2848708 0.6474780), wk = 0.0028090 k( 175) = ( 0.2962657 0.2962657 0.6533771), wk = 0.0028090 k( 176) = ( 0.3076605 0.3076605 0.6592763), wk = 0.0028090 k( 177) = ( 0.3190553 0.3190553 0.6651754), wk = 0.0028090 k( 178) = ( 0.3304502 0.3304502 0.6710745), wk = 0.0028090 k( 179) = ( 0.3418450 0.3418450 0.6769736), wk = 0.0028090 k( 180) = ( 0.3532398 0.3532398 0.6828728), wk = 0.0028090 k( 181) = ( 0.3646347 0.3646347 0.6887719), wk = 0.0028090 k( 182) = ( 0.3760295 0.3760295 0.6946710), wk = 0.0028090 k( 183) = ( 0.3874243 0.3874243 0.7005701), wk = 0.0028090 k( 184) = ( 0.3988192 0.3988192 0.7064693), wk = 0.0028090 k( 185) = ( 0.4102140 0.4102140 0.7123684), wk = 0.0028090 k( 186) = ( 0.4216088 0.4216088 0.7182675), wk = 0.0028090 k( 187) = ( 0.4330037 0.4330037 0.7241666), wk = 0.0028090 k( 188) = ( 0.4443985 0.4443985 0.7300657), wk = 0.0028090 k( 189) = ( 0.4557933 0.4557933 0.7359649), wk = 0.0028090 k( 190) = ( 0.4671882 0.4671882 0.7418640), wk = 0.0028090 k( 191) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028090 k( 192) = ( 0.5067955 0.4932045 0.0000000), wk = 0.0028090 k( 193) = ( 0.5135911 0.4864089 -0.0000000), wk = 0.0028090 k( 194) = ( 0.5203866 0.4796134 -0.0000000), wk = 0.0028090 k( 195) = ( 0.5271822 0.4728178 -0.0000000), wk = 0.0028090 k( 196) = ( 0.5339777 0.4660223 -0.0000000), wk = 0.0028090 k( 197) = ( 0.5407733 0.4592267 -0.0000000), wk = 0.0028090 k( 198) = ( 0.5475688 0.4524312 -0.0000000), wk = 0.0028090 k( 199) = ( 0.5543643 0.4456357 -0.0000000), wk = 0.0028090 k( 200) = ( 0.5611599 0.4388401 -0.0000000), wk = 0.0028090 k( 201) = ( 0.5679554 0.4320446 0.0000000), wk = 0.0028090 k( 202) = ( 0.5747510 0.4252490 -0.0000000), wk = 0.0028090 k( 203) = ( 0.5815465 0.4184535 -0.0000000), wk = 0.0028090 k( 204) = ( 0.5883421 0.4116579 -0.0000000), wk = 0.0028090 k( 205) = ( 0.5951376 0.4048624 0.0000000), wk = 0.0028090 k( 206) = ( 0.6019331 0.3980669 0.0000000), wk = 0.0028090 k( 207) = ( 0.6087287 0.3912713 -0.0000000), wk = 0.0028090 k( 208) = ( 0.6155242 0.3844758 -0.0000000), wk = 0.0028090 k( 209) = ( 0.6223198 0.3776802 0.0000000), wk = 0.0028090 k( 210) = ( 0.6291153 0.3708847 0.0000000), wk = 0.0028090 k( 211) = ( 0.6359109 0.3640891 -0.0000000), wk = 0.0028090 k( 212) = ( 0.6427064 0.3572936 -0.0000000), wk = 0.0028090 k( 213) = ( 0.6495019 0.3504981 -0.0000000), wk = 0.0028090 k( 214) = ( 0.3504981 -0.3504981 0.0000000), wk = 0.0028090 k( 215) = ( 0.3436256 -0.3436256 0.0000000), wk = 0.0028090 k( 216) = ( 0.3367530 -0.3367530 0.0000000), wk = 0.0028090 k( 217) = ( 0.3298805 -0.3298805 0.0000000), wk = 0.0028090 k( 218) = ( 0.3230080 -0.3230080 0.0000000), wk = 0.0028090 k( 219) = ( 0.3161355 -0.3161355 0.0000000), wk = 0.0028090 k( 220) = ( 0.3092630 -0.3092630 0.0000000), wk = 0.0028090 k( 221) = ( 0.3023905 -0.3023905 0.0000000), wk = 0.0028090 k( 222) = ( 0.2955180 -0.2955180 0.0000000), wk = 0.0028090 k( 223) = ( 0.2886455 -0.2886455 0.0000000), wk = 0.0028090 k( 224) = ( 0.2817730 -0.2817730 0.0000000), wk = 0.0028090 k( 225) = ( 0.2749004 -0.2749004 0.0000000), wk = 0.0028090 k( 226) = ( 0.2680279 -0.2680279 0.0000000), wk = 0.0028090 k( 227) = ( 0.2611554 -0.2611554 0.0000000), wk = 0.0028090 k( 228) = ( 0.2542829 -0.2542829 0.0000000), wk = 0.0028090 k( 229) = ( 0.2474104 -0.2474104 0.0000000), wk = 0.0028090 k( 230) = ( 0.2405379 -0.2405379 0.0000000), wk = 0.0028090 k( 231) = ( 0.2336654 -0.2336654 0.0000000), wk = 0.0028090 k( 232) = ( 0.2267929 -0.2267929 0.0000000), wk = 0.0028090 k( 233) = ( 0.2199203 -0.2199203 0.0000000), wk = 0.0028090 k( 234) = ( 0.2130478 -0.2130478 0.0000000), wk = 0.0028090 k( 235) = ( 0.2061753 -0.2061753 0.0000000), wk = 0.0028090 k( 236) = ( 0.1993028 -0.1993028 0.0000000), wk = 0.0028090 k( 237) = ( 0.1924303 -0.1924303 0.0000000), wk = 0.0028090 k( 238) = ( 0.1855578 -0.1855578 0.0000000), wk = 0.0028090 k( 239) = ( 0.1786853 -0.1786853 0.0000000), wk = 0.0028090 k( 240) = ( 0.1718128 -0.1718128 0.0000000), wk = 0.0028090 k( 241) = ( 0.1649403 -0.1649403 0.0000000), wk = 0.0028090 k( 242) = ( 0.1580678 -0.1580678 0.0000000), wk = 0.0028090 k( 243) = ( 0.1511952 -0.1511952 0.0000000), wk = 0.0028090 k( 244) = ( 0.1443227 -0.1443227 0.0000000), wk = 0.0028090 k( 245) = ( 0.1374502 -0.1374502 0.0000000), wk = 0.0028090 k( 246) = ( 0.1305777 -0.1305777 0.0000000), wk = 0.0028090 k( 247) = ( 0.1237052 -0.1237052 0.0000000), wk = 0.0028090 k( 248) = ( 0.1168327 -0.1168327 0.0000000), wk = 0.0028090 k( 249) = ( 0.1099602 -0.1099602 0.0000000), wk = 0.0028090 k( 250) = ( 0.1030877 -0.1030877 0.0000000), wk = 0.0028090 k( 251) = ( 0.0962151 -0.0962151 0.0000000), wk = 0.0028090 k( 252) = ( 0.0893426 -0.0893426 0.0000000), wk = 0.0028090 k( 253) = ( 0.0824701 -0.0824701 0.0000000), wk = 0.0028090 k( 254) = ( 0.0755976 -0.0755976 0.0000000), wk = 0.0028090 k( 255) = ( 0.0687251 -0.0687251 0.0000000), wk = 0.0028090 k( 256) = ( 0.0618526 -0.0618526 0.0000000), wk = 0.0028090 k( 257) = ( 0.0549801 -0.0549801 0.0000000), wk = 0.0028090 k( 258) = ( 0.0481076 -0.0481076 0.0000000), wk = 0.0028090 k( 259) = ( 0.0412351 -0.0412351 0.0000000), wk = 0.0028090 k( 260) = ( 0.0343625 -0.0343625 0.0000000), wk = 0.0028090 k( 261) = ( 0.0274900 -0.0274900 0.0000000), wk = 0.0028090 k( 262) = ( 0.0206175 -0.0206175 0.0000000), wk = 0.0028090 k( 263) = ( 0.0137450 -0.0137450 0.0000000), wk = 0.0028090 k( 264) = ( 0.0068725 -0.0068725 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: 72269 G-vectors FFT dimensions: ( 45, 45, 80) Smooth grid: 29301 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 150, 48) NL pseudopotentials 0.14 Mb ( 75, 126) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1510) G-vector shells 0.01 Mb ( 1473) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.44 Mb ( 150, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) 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 42.7 secs Computing kpt #: 2 total cpu time spent up to now is 45.3 secs Computing kpt #: 3 total cpu time spent up to now is 46.7 secs Computing kpt #: 4 total cpu time spent up to now is 48.7 secs Computing kpt #: 5 total cpu time spent up to now is 50.2 secs Computing kpt #: 6 total cpu time spent up to now is 51.7 secs Computing kpt #: 7 total cpu time spent up to now is 53.4 secs Computing kpt #: 8 total cpu time spent up to now is 55.0 secs Computing kpt #: 9 total cpu time spent up to now is 56.9 secs Computing kpt #: 10 total cpu time spent up to now is 58.6 secs Computing kpt #: 11 total cpu time spent up to now is 60.2 secs Computing kpt #: 12 total cpu time spent up to now is 61.8 secs Computing kpt #: 13 total cpu time spent up to now is 63.8 secs Computing kpt #: 14 total cpu time spent up to now is 65.6 secs Computing kpt #: 15 total cpu time spent up to now is 67.8 secs Computing kpt #: 16 total cpu time spent up to now is 69.4 secs Computing kpt #: 17 total cpu time spent up to now is 71.0 secs Computing kpt #: 18 total cpu time spent up to now is 72.6 secs Computing kpt #: 19 total cpu time spent up to now is 74.3 secs Computing kpt #: 20 total cpu time spent up to now is 75.9 secs Computing kpt #: 21 total cpu time spent up to now is 77.6 secs Computing kpt #: 22 total cpu time spent up to now is 79.2 secs Computing kpt #: 23 total cpu time spent up to now is 80.7 secs Computing kpt #: 24 total cpu time spent up to now is 82.8 secs Computing kpt #: 25 total cpu time spent up to now is 84.4 secs Computing kpt #: 26 total cpu time spent up to now is 86.0 secs Computing kpt #: 27 total cpu time spent up to now is 87.7 secs Computing kpt #: 28 total cpu time spent up to now is 89.1 secs Computing kpt #: 29 total cpu time spent up to now is 90.6 secs Computing kpt #: 30 total cpu time spent up to now is 92.3 secs Computing kpt #: 31 total cpu time spent up to now is 94.6 secs Computing kpt #: 32 total cpu time spent up to now is 96.6 secs Computing kpt #: 33 total cpu time spent up to now is 98.8 secs Computing kpt #: 34 total cpu time spent up to now is 101.8 secs Computing kpt #: 35 total cpu time spent up to now is 104.3 secs Computing kpt #: 36 total cpu time spent up to now is 106.7 secs Computing kpt #: 37 total cpu time spent up to now is 108.8 secs Computing kpt #: 38 total cpu time spent up to now is 111.0 secs Computing kpt #: 39 total cpu time spent up to now is 113.0 secs Computing kpt #: 40 total cpu time spent up to now is 115.0 secs Computing kpt #: 41 total cpu time spent up to now is 117.1 secs Computing kpt #: 42 total cpu time spent up to now is 118.9 secs Computing kpt #: 43 total cpu time spent up to now is 120.7 secs Computing kpt #: 44 total cpu time spent up to now is 123.4 secs Computing kpt #: 45 total cpu time spent up to now is 125.4 secs Computing kpt #: 46 total cpu time spent up to now is 127.1 secs Computing kpt #: 47 total cpu time spent up to now is 129.1 secs Computing kpt #: 48 total cpu time spent up to now is 130.9 secs Computing kpt #: 49 total cpu time spent up to now is 132.9 secs Computing kpt #: 50 total cpu time spent up to now is 134.9 secs Computing kpt #: 51 total cpu time spent up to now is 136.7 secs Computing kpt #: 52 total cpu time spent up to now is 138.5 secs Computing kpt #: 53 total cpu time spent up to now is 140.7 secs Computing kpt #: 54 total cpu time spent up to now is 143.9 secs Computing kpt #: 55 total cpu time spent up to now is 146.1 secs Computing kpt #: 56 total cpu time spent up to now is 148.7 secs Computing kpt #: 57 total cpu time spent up to now is 150.5 secs Computing kpt #: 58 total cpu time spent up to now is 152.1 secs Computing kpt #: 59 total cpu time spent up to now is 153.9 secs Computing kpt #: 60 total cpu time spent up to now is 156.6 secs Computing kpt #: 61 total cpu time spent up to now is 158.6 secs Computing kpt #: 62 total cpu time spent up to now is 160.7 secs Computing kpt #: 63 total cpu time spent up to now is 162.6 secs Computing kpt #: 64 total cpu time spent up to now is 164.5 secs Computing kpt #: 65 total cpu time spent up to now is 166.8 secs Computing kpt #: 66 total cpu time spent up to now is 169.1 secs Computing kpt #: 67 total cpu time spent up to now is 172.3 secs Computing kpt #: 68 total cpu time spent up to now is 174.1 secs Computing kpt #: 69 total cpu time spent up to now is 175.9 secs Computing kpt #: 70 total cpu time spent up to now is 177.6 secs Computing kpt #: 71 total cpu time spent up to now is 179.4 secs Computing kpt #: 72 total cpu time spent up to now is 180.9 secs Computing kpt #: 73 total cpu time spent up to now is 182.4 secs Computing kpt #: 74 total cpu time spent up to now is 183.9 secs Computing kpt #: 75 total cpu time spent up to now is 185.5 secs Computing kpt #: 76 total cpu time spent up to now is 187.4 secs Computing kpt #: 77 total cpu time spent up to now is 189.3 secs Computing kpt #: 78 total cpu time spent up to now is 191.4 secs Computing kpt #: 79 total cpu time spent up to now is 193.2 secs Computing kpt #: 80 total cpu time spent up to now is 195.0 secs Computing kpt #: 81 total cpu time spent up to now is 197.4 secs Computing kpt #: 82 total cpu time spent up to now is 198.9 secs Computing kpt #: 83 total cpu time spent up to now is 200.3 secs Computing kpt #: 84 total cpu time spent up to now is 201.7 secs Computing kpt #: 85 total cpu time spent up to now is 203.2 secs Computing kpt #: 86 total cpu time spent up to now is 204.6 secs Computing kpt #: 87 total cpu time spent up to now is 206.4 secs Computing kpt #: 88 total cpu time spent up to now is 208.1 secs Computing kpt #: 89 total cpu time spent up to now is 209.6 secs Computing kpt #: 90 total cpu time spent up to now is 211.1 secs Computing kpt #: 91 total cpu time spent up to now is 213.3 secs Computing kpt #: 92 total cpu time spent up to now is 214.9 secs Computing kpt #: 93 total cpu time spent up to now is 216.3 secs Computing kpt #: 94 total cpu time spent up to now is 217.8 secs Computing kpt #: 95 total cpu time spent up to now is 219.5 secs Computing kpt #: 96 total cpu time spent up to now is 221.1 secs Computing kpt #: 97 total cpu time spent up to now is 223.1 secs Computing kpt #: 98 total cpu time spent up to now is 225.8 secs Computing kpt #: 99 total cpu time spent up to now is 227.4 secs Computing kpt #: 100 total cpu time spent up to now is 228.8 secs Computing kpt #: 101 total cpu time spent up to now is 230.4 secs Computing kpt #: 102 total cpu time spent up to now is 231.8 secs Computing kpt #: 103 total cpu time spent up to now is 233.5 secs Computing kpt #: 104 total cpu time spent up to now is 235.6 secs Computing kpt #: 105 total cpu time spent up to now is 237.1 secs Computing kpt #: 106 total cpu time spent up to now is 238.5 secs Computing kpt #: 107 total cpu time spent up to now is 240.1 secs Computing kpt #: 108 total cpu time spent up to now is 241.9 secs Computing kpt #: 109 total cpu time spent up to now is 243.3 secs Computing kpt #: 110 total cpu time spent up to now is 245.1 secs Computing kpt #: 111 total cpu time spent up to now is 247.1 secs Computing kpt #: 112 total cpu time spent up to now is 249.3 secs Computing kpt #: 113 total cpu time spent up to now is 251.5 secs Computing kpt #: 114 total cpu time spent up to now is 253.1 secs Computing kpt #: 115 total cpu time spent up to now is 254.7 secs Computing kpt #: 116 total cpu time spent up to now is 256.1 secs Computing kpt #: 117 total cpu time spent up to now is 257.6 secs Computing kpt #: 118 total cpu time spent up to now is 259.1 secs Computing kpt #: 119 total cpu time spent up to now is 260.9 secs Computing kpt #: 120 total cpu time spent up to now is 263.1 secs Computing kpt #: 121 total cpu time spent up to now is 265.4 secs Computing kpt #: 122 total cpu time spent up to now is 267.7 secs Computing kpt #: 123 total cpu time spent up to now is 271.5 secs Computing kpt #: 124 total cpu time spent up to now is 273.2 secs Computing kpt #: 125 total cpu time spent up to now is 274.9 secs Computing kpt #: 126 total cpu time spent up to now is 276.7 secs Computing kpt #: 127 total cpu time spent up to now is 278.6 secs Computing kpt #: 128 total cpu time spent up to now is 280.5 secs Computing kpt #: 129 total cpu time spent up to now is 282.4 secs Computing kpt #: 130 total cpu time spent up to now is 284.0 secs Computing kpt #: 131 total cpu time spent up to now is 285.9 secs Computing kpt #: 132 total cpu time spent up to now is 287.7 secs Computing kpt #: 133 total cpu time spent up to now is 289.5 secs Computing kpt #: 134 total cpu time spent up to now is 291.3 secs Computing kpt #: 135 total cpu time spent up to now is 292.8 secs Computing kpt #: 136 total cpu time spent up to now is 294.2 secs Computing kpt #: 137 total cpu time spent up to now is 295.7 secs Computing kpt #: 138 total cpu time spent up to now is 297.1 secs Computing kpt #: 139 total cpu time spent up to now is 298.9 secs Computing kpt #: 140 total cpu time spent up to now is 300.5 secs Computing kpt #: 141 total cpu time spent up to now is 302.0 secs Computing kpt #: 142 total cpu time spent up to now is 303.5 secs Computing kpt #: 143 total cpu time spent up to now is 304.9 secs Computing kpt #: 144 total cpu time spent up to now is 306.4 secs Computing kpt #: 145 total cpu time spent up to now is 308.0 secs Computing kpt #: 146 total cpu time spent up to now is 309.5 secs Computing kpt #: 147 total cpu time spent up to now is 311.3 secs Computing kpt #: 148 total cpu time spent up to now is 312.7 secs Computing kpt #: 149 total cpu time spent up to now is 314.3 secs Computing kpt #: 150 total cpu time spent up to now is 316.0 secs Computing kpt #: 151 total cpu time spent up to now is 317.4 secs Computing kpt #: 152 total cpu time spent up to now is 318.8 secs Computing kpt #: 153 total cpu time spent up to now is 320.4 secs Computing kpt #: 154 total cpu time spent up to now is 321.9 secs Computing kpt #: 155 total cpu time spent up to now is 323.5 secs Computing kpt #: 156 total cpu time spent up to now is 324.9 secs Computing kpt #: 157 total cpu time spent up to now is 326.7 secs Computing kpt #: 158 total cpu time spent up to now is 328.3 secs Computing kpt #: 159 total cpu time spent up to now is 329.7 secs Computing kpt #: 160 total cpu time spent up to now is 331.4 secs Computing kpt #: 161 total cpu time spent up to now is 333.4 secs Computing kpt #: 162 total cpu time spent up to now is 335.6 secs Computing kpt #: 163 total cpu time spent up to now is 338.0 secs Computing kpt #: 164 total cpu time spent up to now is 339.9 secs Computing kpt #: 165 total cpu time spent up to now is 341.7 secs Computing kpt #: 166 total cpu time spent up to now is 343.5 secs Computing kpt #: 167 total cpu time spent up to now is 345.0 secs Computing kpt #: 168 total cpu time spent up to now is 346.9 secs Computing kpt #: 169 total cpu time spent up to now is 348.3 secs Computing kpt #: 170 total cpu time spent up to now is 349.9 secs Computing kpt #: 171 total cpu time spent up to now is 351.4 secs Computing kpt #: 172 total cpu time spent up to now is 352.9 secs Computing kpt #: 173 total cpu time spent up to now is 354.5 secs Computing kpt #: 174 total cpu time spent up to now is 356.0 secs Computing kpt #: 175 total cpu time spent up to now is 357.6 secs Computing kpt #: 176 total cpu time spent up to now is 359.2 secs Computing kpt #: 177 total cpu time spent up to now is 360.9 secs Computing kpt #: 178 total cpu time spent up to now is 362.3 secs Computing kpt #: 179 total cpu time spent up to now is 363.8 secs Computing kpt #: 180 total cpu time spent up to now is 365.4 secs Computing kpt #: 181 total cpu time spent up to now is 367.1 secs Computing kpt #: 182 total cpu time spent up to now is 368.6 secs Computing kpt #: 183 total cpu time spent up to now is 370.4 secs Computing kpt #: 184 total cpu time spent up to now is 372.1 secs Computing kpt #: 185 total cpu time spent up to now is 373.9 secs Computing kpt #: 186 total cpu time spent up to now is 375.9 secs Computing kpt #: 187 total cpu time spent up to now is 377.6 secs Computing kpt #: 188 total cpu time spent up to now is 379.1 secs Computing kpt #: 189 total cpu time spent up to now is 380.8 secs Computing kpt #: 190 total cpu time spent up to now is 382.6 secs Computing kpt #: 191 total cpu time spent up to now is 384.6 secs Computing kpt #: 192 total cpu time spent up to now is 386.5 secs Computing kpt #: 193 total cpu time spent up to now is 388.3 secs Computing kpt #: 194 total cpu time spent up to now is 390.1 secs Computing kpt #: 195 total cpu time spent up to now is 392.0 secs Computing kpt #: 196 total cpu time spent up to now is 394.0 secs Computing kpt #: 197 total cpu time spent up to now is 396.1 secs Computing kpt #: 198 total cpu time spent up to now is 398.1 secs Computing kpt #: 199 total cpu time spent up to now is 400.1 secs Computing kpt #: 200 total cpu time spent up to now is 401.9 secs Computing kpt #: 201 total cpu time spent up to now is 403.7 secs Computing kpt #: 202 total cpu time spent up to now is 405.3 secs Computing kpt #: 203 total cpu time spent up to now is 407.2 secs Computing kpt #: 204 total cpu time spent up to now is 409.0 secs Computing kpt #: 205 total cpu time spent up to now is 410.6 secs Computing kpt #: 206 total cpu time spent up to now is 412.5 secs Computing kpt #: 207 total cpu time spent up to now is 414.2 secs Computing kpt #: 208 total cpu time spent up to now is 416.0 secs Computing kpt #: 209 total cpu time spent up to now is 417.4 secs Computing kpt #: 210 total cpu time spent up to now is 418.8 secs Computing kpt #: 211 total cpu time spent up to now is 420.2 secs Computing kpt #: 212 total cpu time spent up to now is 421.6 secs Computing kpt #: 213 total cpu time spent up to now is 423.0 secs Computing kpt #: 214 total cpu time spent up to now is 424.4 secs Computing kpt #: 215 total cpu time spent up to now is 425.7 secs Computing kpt #: 216 total cpu time spent up to now is 427.4 secs Computing kpt #: 217 total cpu time spent up to now is 429.4 secs Computing kpt #: 218 total cpu time spent up to now is 430.8 secs Computing kpt #: 219 total cpu time spent up to now is 432.2 secs Computing kpt #: 220 total cpu time spent up to now is 433.6 secs Computing kpt #: 221 total cpu time spent up to now is 435.3 secs Computing kpt #: 222 total cpu time spent up to now is 437.6 secs Computing kpt #: 223 total cpu time spent up to now is 439.2 secs Computing kpt #: 224 total cpu time spent up to now is 440.8 secs Computing kpt #: 225 total cpu time spent up to now is 442.6 secs Computing kpt #: 226 total cpu time spent up to now is 444.2 secs Computing kpt #: 227 total cpu time spent up to now is 445.6 secs Computing kpt #: 228 total cpu time spent up to now is 447.3 secs Computing kpt #: 229 total cpu time spent up to now is 448.9 secs Computing kpt #: 230 total cpu time spent up to now is 450.5 secs Computing kpt #: 231 total cpu time spent up to now is 452.0 secs Computing kpt #: 232 total cpu time spent up to now is 453.6 secs Computing kpt #: 233 total cpu time spent up to now is 454.9 secs Computing kpt #: 234 total cpu time spent up to now is 456.5 secs Computing kpt #: 235 total cpu time spent up to now is 457.9 secs Computing kpt #: 236 total cpu time spent up to now is 459.4 secs Computing kpt #: 237 total cpu time spent up to now is 460.9 secs Computing kpt #: 238 total cpu time spent up to now is 462.5 secs Computing kpt #: 239 total cpu time spent up to now is 464.2 secs Computing kpt #: 240 total cpu time spent up to now is 465.8 secs Computing kpt #: 241 total cpu time spent up to now is 467.3 secs Computing kpt #: 242 total cpu time spent up to now is 468.8 secs Computing kpt #: 243 total cpu time spent up to now is 470.3 secs Computing kpt #: 244 total cpu time spent up to now is 472.3 secs Computing kpt #: 245 total cpu time spent up to now is 473.9 secs Computing kpt #: 246 total cpu time spent up to now is 475.9 secs Computing kpt #: 247 total cpu time spent up to now is 478.0 secs Computing kpt #: 248 total cpu time spent up to now is 480.3 secs Computing kpt #: 249 total cpu time spent up to now is 483.1 secs Computing kpt #: 250 total cpu time spent up to now is 484.7 secs Computing kpt #: 251 total cpu time spent up to now is 487.4 secs Computing kpt #: 252 total cpu time spent up to now is 489.4 secs Computing kpt #: 253 total cpu time spent up to now is 491.6 secs Computing kpt #: 254 total cpu time spent up to now is 493.1 secs Computing kpt #: 255 total cpu time spent up to now is 494.9 secs Computing kpt #: 256 total cpu time spent up to now is 496.6 secs Computing kpt #: 257 total cpu time spent up to now is 498.1 secs Computing kpt #: 258 total cpu time spent up to now is 499.5 secs Computing kpt #: 259 total cpu time spent up to now is 501.0 secs Computing kpt #: 260 total cpu time spent up to now is 502.5 secs Computing kpt #: 261 total cpu time spent up to now is 504.0 secs Computing kpt #: 262 total cpu time spent up to now is 505.6 secs Computing kpt #: 263 total cpu time spent up to now is 507.0 secs Computing kpt #: 264 total cpu time spent up to now is 508.5 secs Computing kpt #: 265 total cpu time spent up to now is 510.2 secs Computing kpt #: 266 total cpu time spent up to now is 511.8 secs Computing kpt #: 267 total cpu time spent up to now is 513.8 secs Computing kpt #: 268 total cpu time spent up to now is 515.5 secs Computing kpt #: 269 total cpu time spent up to now is 517.6 secs Computing kpt #: 270 total cpu time spent up to now is 519.0 secs Computing kpt #: 271 total cpu time spent up to now is 521.5 secs Computing kpt #: 272 total cpu time spent up to now is 523.2 secs Computing kpt #: 273 total cpu time spent up to now is 524.9 secs Computing kpt #: 274 total cpu time spent up to now is 527.4 secs Computing kpt #: 275 total cpu time spent up to now is 529.6 secs Computing kpt #: 276 total cpu time spent up to now is 531.0 secs Computing kpt #: 277 total cpu time spent up to now is 532.6 secs Computing kpt #: 278 total cpu time spent up to now is 534.3 secs Computing kpt #: 279 total cpu time spent up to now is 535.9 secs Computing kpt #: 280 total cpu time spent up to now is 538.0 secs Computing kpt #: 281 total cpu time spent up to now is 540.1 secs Computing kpt #: 282 total cpu time spent up to now is 541.8 secs Computing kpt #: 283 total cpu time spent up to now is 543.4 secs Computing kpt #: 284 total cpu time spent up to now is 545.3 secs Computing kpt #: 285 total cpu time spent up to now is 546.8 secs Computing kpt #: 286 total cpu time spent up to now is 548.4 secs Computing kpt #: 287 total cpu time spent up to now is 550.1 secs Computing kpt #: 288 total cpu time spent up to now is 551.6 secs Computing kpt #: 289 total cpu time spent up to now is 553.4 secs Computing kpt #: 290 total cpu time spent up to now is 555.1 secs Computing kpt #: 291 total cpu time spent up to now is 556.5 secs Computing kpt #: 292 total cpu time spent up to now is 558.0 secs Computing kpt #: 293 total cpu time spent up to now is 559.9 secs Computing kpt #: 294 total cpu time spent up to now is 561.6 secs Computing kpt #: 295 total cpu time spent up to now is 564.0 secs Computing kpt #: 296 total cpu time spent up to now is 565.8 secs Computing kpt #: 297 total cpu time spent up to now is 567.8 secs Computing kpt #: 298 total cpu time spent up to now is 569.3 secs Computing kpt #: 299 total cpu time spent up to now is 570.7 secs Computing kpt #: 300 total cpu time spent up to now is 572.1 secs Computing kpt #: 301 total cpu time spent up to now is 573.6 secs Computing kpt #: 302 total cpu time spent up to now is 575.1 secs Computing kpt #: 303 total cpu time spent up to now is 576.6 secs Computing kpt #: 304 total cpu time spent up to now is 578.5 secs Computing kpt #: 305 total cpu time spent up to now is 580.0 secs Computing kpt #: 306 total cpu time spent up to now is 581.5 secs Computing kpt #: 307 total cpu time spent up to now is 583.1 secs Computing kpt #: 308 total cpu time spent up to now is 585.2 secs Computing kpt #: 309 total cpu time spent up to now is 587.5 secs Computing kpt #: 310 total cpu time spent up to now is 588.8 secs Computing kpt #: 311 total cpu time spent up to now is 590.2 secs Computing kpt #: 312 total cpu time spent up to now is 592.0 secs Computing kpt #: 313 total cpu time spent up to now is 594.5 secs Computing kpt #: 314 total cpu time spent up to now is 596.1 secs Computing kpt #: 315 total cpu time spent up to now is 598.4 secs Computing kpt #: 316 total cpu time spent up to now is 599.8 secs Computing kpt #: 317 total cpu time spent up to now is 601.2 secs Computing kpt #: 318 total cpu time spent up to now is 602.7 secs Computing kpt #: 319 total cpu time spent up to now is 604.1 secs Computing kpt #: 320 total cpu time spent up to now is 605.4 secs Computing kpt #: 321 total cpu time spent up to now is 607.0 secs Computing kpt #: 322 total cpu time spent up to now is 608.6 secs Computing kpt #: 323 total cpu time spent up to now is 610.2 secs Computing kpt #: 324 total cpu time spent up to now is 611.7 secs Computing kpt #: 325 total cpu time spent up to now is 613.1 secs Computing kpt #: 326 total cpu time spent up to now is 614.8 secs Computing kpt #: 327 total cpu time spent up to now is 616.4 secs Computing kpt #: 328 total cpu time spent up to now is 618.1 secs Computing kpt #: 329 total cpu time spent up to now is 620.3 secs Computing kpt #: 330 total cpu time spent up to now is 621.9 secs Computing kpt #: 331 total cpu time spent up to now is 623.5 secs Computing kpt #: 332 total cpu time spent up to now is 625.7 secs Computing kpt #: 333 total cpu time spent up to now is 627.9 secs Computing kpt #: 334 total cpu time spent up to now is 630.0 secs Computing kpt #: 335 total cpu time spent up to now is 632.1 secs Computing kpt #: 336 total cpu time spent up to now is 633.7 secs Computing kpt #: 337 total cpu time spent up to now is 635.3 secs Computing kpt #: 338 total cpu time spent up to now is 636.9 secs Computing kpt #: 339 total cpu time spent up to now is 638.4 secs Computing kpt #: 340 total cpu time spent up to now is 640.3 secs Computing kpt #: 341 total cpu time spent up to now is 642.8 secs Computing kpt #: 342 total cpu time spent up to now is 644.8 secs Computing kpt #: 343 total cpu time spent up to now is 647.9 secs Computing kpt #: 344 total cpu time spent up to now is 650.4 secs Computing kpt #: 345 total cpu time spent up to now is 652.2 secs Computing kpt #: 346 total cpu time spent up to now is 654.1 secs Computing kpt #: 347 total cpu time spent up to now is 656.1 secs Computing kpt #: 348 total cpu time spent up to now is 657.8 secs Computing kpt #: 349 total cpu time spent up to now is 659.3 secs Computing kpt #: 350 total cpu time spent up to now is 660.7 secs Computing kpt #: 351 total cpu time spent up to now is 662.7 secs Computing kpt #: 352 total cpu time spent up to now is 664.9 secs Computing kpt #: 353 total cpu time spent up to now is 666.5 secs Computing kpt #: 354 total cpu time spent up to now is 668.6 secs Computing kpt #: 355 total cpu time spent up to now is 670.4 secs Computing kpt #: 356 total cpu time spent up to now is 671.8 secs ethr = 2.50E-11, avg # of iterations = 32.7 total cpu time spent up to now is 672.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3677 PWs) bands (ev): -18.3196 -18.3196 -18.1560 -18.1560 -14.0453 -14.0453 -13.8723 -13.8723 -4.9201 -4.9201 -4.7384 -4.7384 -3.1491 -3.1491 -2.7995 -2.7995 -2.7411 -2.7411 -2.7050 -2.7050 -0.4092 -0.4092 -0.2440 -0.2440 1.7007 1.7007 1.9403 1.9403 2.2161 2.2161 2.5123 2.5123 2.5625 2.5625 3.4419 3.4419 9.1240 9.1240 9.2008 9.2008 9.8020 9.8020 10.4342 10.4342 11.6289 11.6289 12.4496 12.4496 k = 0.0109 0.0067-0.0034 ( 3673 PWs) bands (ev): -18.3194 -18.3194 -18.1560 -18.1560 -14.0452 -14.0452 -13.8725 -13.8725 -4.9206 -4.9206 -4.7386 -4.7386 -3.1498 -3.1498 -2.7996 -2.7996 -2.7419 -2.7419 -2.7060 -2.7060 -0.4084 -0.4084 -0.2439 -0.2439 1.7022 1.7022 1.9402 1.9402 2.2115 2.2115 2.5137 2.5137 2.5657 2.5657 3.4422 3.4422 9.1256 9.1256 9.2014 9.2014 9.8031 9.8031 10.4268 10.4268 11.6341 11.6341 12.4510 12.4510 k = 0.0217 0.0133-0.0068 ( 3671 PWs) bands (ev): -18.3189 -18.3189 -18.1558 -18.1558 -14.0450 -14.0450 -13.8731 -13.8731 -4.9219 -4.9219 -4.7390 -4.7390 -3.1518 -3.1518 -2.7999 -2.7999 -2.7441 -2.7441 -2.7090 -2.7090 -0.4060 -0.4060 -0.2435 -0.2435 1.7063 1.7063 1.9397 1.9397 2.1986 2.1986 2.5159 2.5159 2.5765 2.5765 3.4429 3.4429 9.1303 9.1303 9.2029 9.2029 9.8065 9.8065 10.4049 10.4049 11.6495 11.6495 12.4552 12.4552 k = 0.0326 0.0200-0.0102 ( 3664 PWs) bands (ev): -18.3180 -18.3180 -18.1555 -18.1555 -14.0447 -14.0447 -13.8740 -13.8740 -4.9240 -4.9240 -4.7398 -4.7398 -3.1552 -3.1552 -2.8005 -2.8005 -2.7477 -2.7477 -2.7136 -2.7136 -0.4020 -0.4020 -0.2428 -0.2428 1.7132 1.7132 1.9390 1.9390 2.1795 2.1795 2.5153 2.5153 2.5963 2.5963 3.4440 3.4440 9.1381 9.1381 9.2055 9.2055 9.8120 9.8120 10.3697 10.3697 11.6739 11.6739 12.4621 12.4621 k = 0.0435 0.0266-0.0135 ( 3666 PWs) bands (ev): -18.3168 -18.3168 -18.1551 -18.1551 -14.0442 -14.0442 -13.8753 -13.8753 -4.9270 -4.9270 -4.7408 -4.7408 -3.1598 -3.1598 -2.8016 -2.8016 -2.7530 -2.7530 -2.7197 -2.7197 -0.3966 -0.3966 -0.2419 -0.2419 1.7228 1.7228 1.9380 1.9380 2.1564 2.1564 2.5112 2.5112 2.6236 2.6236 3.4456 3.4456 9.1490 9.1490 9.2092 9.2092 9.8198 9.8198 10.3228 10.3228 11.7061 11.7061 12.4715 12.4715 k = 0.0543 0.0333-0.0169 ( 3661 PWs) bands (ev): -18.3152 -18.3152 -18.1546 -18.1546 -14.0436 -14.0436 -13.8770 -13.8770 -4.9309 -4.9309 -4.7422 -4.7422 -3.1657 -3.1657 -2.8037 -2.8037 -2.7595 -2.7595 -2.7267 -2.7267 -0.3898 -0.3898 -0.2408 -0.2408 1.7348 1.7348 1.9371 1.9371 2.1311 2.1311 2.5043 2.5043 2.6563 2.6563 3.4475 3.4475 9.1628 9.1628 9.2141 9.2141 9.8298 9.8298 10.2659 10.2659 11.7446 11.7446 12.4830 12.4830 k = 0.0652 0.0400-0.0203 ( 3660 PWs) bands (ev): -18.3133 -18.3133 -18.1539 -18.1539 -14.0429 -14.0429 -13.8790 -13.8790 -4.9355 -4.9355 -4.7438 -4.7438 -3.1727 -3.1727 -2.8077 -2.8077 -2.7670 -2.7670 -2.7343 -2.7343 -0.3817 -0.3817 -0.2397 -0.2397 1.7492 1.7492 1.9363 1.9363 2.1048 2.1048 2.4949 2.4949 2.6923 2.6923 3.4496 3.4496 9.1794 9.1794 9.2203 9.2203 9.8421 9.8421 10.2005 10.2005 11.7882 11.7882 12.4964 12.4964 k = 0.0761 0.0466-0.0237 ( 3660 PWs) bands (ev): -18.3111 -18.3111 -18.1532 -18.1532 -14.0421 -14.0421 -13.8813 -13.8813 -4.9409 -4.9409 -4.7458 -4.7458 -3.1809 -3.1809 -2.8147 -2.8147 -2.7742 -2.7742 -2.7419 -2.7419 -0.3725 -0.3725 -0.2384 -0.2384 1.7657 1.7657 1.9360 1.9360 2.0784 2.0784 2.4834 2.4834 2.7307 2.7307 3.4518 3.4518 9.1982 9.1982 9.2284 9.2284 9.8565 9.8565 10.1283 10.1283 11.8358 11.8358 12.5110 12.5110 k = 0.0870 0.0533-0.0271 ( 3664 PWs) bands (ev): -18.3086 -18.3086 -18.1523 -18.1523 -14.0411 -14.0411 -13.8841 -13.8841 -4.9471 -4.9471 -4.7481 -4.7481 -3.1902 -3.1902 -2.8259 -2.8259 -2.7803 -2.7803 -2.7492 -2.7492 -0.3623 -0.3623 -0.2372 -0.2372 1.7839 1.7839 1.9364 1.9364 2.0524 2.0524 2.4702 2.4702 2.7705 2.7705 3.4540 3.4540 9.2176 9.2176 9.2399 9.2399 9.8732 9.8732 10.0506 10.0506 11.8865 11.8865 12.5261 12.5261 k = 0.0978 0.0599-0.0305 ( 3671 PWs) bands (ev): -18.3057 -18.3057 -18.1513 -18.1513 -14.0400 -14.0400 -13.8871 -13.8871 -4.9540 -4.9540 -4.7507 -4.7507 -3.2005 -3.2005 -2.8411 -2.8411 -2.7856 -2.7856 -2.7558 -2.7558 -0.3513 -0.3513 -0.2361 -0.2361 1.8033 1.8033 1.9382 1.9382 2.0274 2.0274 2.4553 2.4553 2.8114 2.8114 3.4561 3.4561 9.2339 9.2339 9.2586 9.2586 9.8919 9.8919 9.9686 9.9686 11.9397 11.9397 12.5412 12.5412 k = 0.1087 0.0666-0.0338 ( 3670 PWs) bands (ev): -18.3026 -18.3026 -18.1503 -18.1503 -14.0388 -14.0388 -13.8904 -13.8904 -4.9616 -4.9616 -4.7535 -4.7535 -3.2117 -3.2117 -2.8596 -2.8596 -2.7914 -2.7914 -2.7610 -2.7610 -0.3396 -0.3396 -0.2351 -0.2351 1.8231 1.8231 1.9421 1.9421 2.0036 2.0036 2.4389 2.4389 2.8528 2.8528 3.4581 3.4581 9.2469 9.2469 9.2846 9.2846 9.8811 9.8811 9.9149 9.9149 11.9949 11.9949 12.5553 12.5553 k = 0.1196 0.0733-0.0372 ( 3668 PWs) bands (ev): -18.2991 -18.2991 -18.1491 -18.1491 -14.0375 -14.0375 -13.8941 -13.8941 -4.9699 -4.9699 -4.7567 -4.7567 -3.2238 -3.2238 -2.8806 -2.8806 -2.7985 -2.7985 -2.7644 -2.7644 -0.3275 -0.3275 -0.2344 -0.2344 1.8422 1.8422 1.9490 1.9490 1.9817 1.9817 2.4212 2.4212 2.8945 2.8945 3.4596 3.4596 9.2594 9.2594 9.3149 9.3149 9.7938 9.7938 9.9373 9.9373 12.0520 12.0520 12.5677 12.5677 k = 0.1304 0.0799-0.0406 ( 3672 PWs) bands (ev): -18.2954 -18.2954 -18.1479 -18.1479 -14.0361 -14.0361 -13.8980 -13.8980 -4.9788 -4.9788 -4.7602 -4.7602 -3.2367 -3.2367 -2.9033 -2.9033 -2.8072 -2.8072 -2.7662 -2.7662 -0.3151 -0.3151 -0.2338 -0.2338 1.8591 1.8591 1.9547 1.9547 1.9671 1.9671 2.4023 2.4023 2.9361 2.9361 3.4607 3.4607 9.2726 9.2726 9.3482 9.3482 9.7040 9.7040 9.9627 9.9627 12.1106 12.1106 12.5779 12.5779 k = 0.1413 0.0866-0.0440 ( 3667 PWs) bands (ev): -18.2915 -18.2915 -18.1466 -18.1466 -14.0346 -14.0346 -13.9022 -13.9022 -4.9882 -4.9882 -4.7639 -4.7639 -3.2504 -3.2504 -2.9273 -2.9273 -2.8172 -2.8172 -2.7668 -2.7668 -0.3028 -0.3028 -0.2335 -0.2335 1.8730 1.8730 1.9394 1.9394 1.9808 1.9808 2.3823 2.3823 2.9776 2.9776 3.4611 3.4611 9.2870 9.2870 9.3833 9.3833 9.6138 9.6138 9.9902 9.9902 12.1707 12.1707 12.5857 12.5857 k = 0.1522 0.0933-0.0474 ( 3668 PWs) bands (ev): -18.2873 -18.2873 -18.1452 -18.1452 -14.0331 -14.0331 -13.9067 -13.9067 -4.9983 -4.9983 -4.7680 -4.7680 -3.2647 -3.2647 -2.9524 -2.9524 -2.8282 -2.8282 -2.7666 -2.7666 -0.2908 -0.2908 -0.2334 -0.2334 1.8839 1.8839 1.9225 1.9225 2.0034 2.0034 2.3614 2.3614 3.0186 3.0186 3.4609 3.4609 9.3026 9.3026 9.4158 9.4158 9.5278 9.5278 10.0198 10.0198 12.2322 12.2322 12.5909 12.5909 k = 0.1630 0.0999-0.0508 ( 3663 PWs) bands (ev): -18.2829 -18.2829 -18.1437 -18.1437 -14.0314 -14.0314 -13.9114 -13.9114 -5.0088 -5.0088 -4.7723 -4.7723 -3.2797 -3.2797 -2.9781 -2.9781 -2.8399 -2.8399 -2.7659 -2.7659 -0.2795 -0.2795 -0.2331 -0.2331 1.8924 1.8924 1.9076 1.9076 2.0306 2.0306 2.3398 2.3398 3.0590 3.0590 3.4598 3.4598 9.3196 9.3196 9.4024 9.4024 9.4900 9.4900 10.0513 10.0513 12.2952 12.2952 12.5939 12.5939 k = 0.1739 0.1066-0.0541 ( 3667 PWs) bands (ev): -18.2783 -18.2783 -18.1422 -18.1422 -14.0297 -14.0297 -13.9163 -13.9163 -5.0197 -5.0197 -4.7768 -4.7768 -3.2952 -3.2952 -3.0041 -3.0041 -2.8522 -2.8522 -2.7648 -2.7648 -0.2699 -0.2699 -0.2322 -0.2322 1.8913 1.8913 1.9030 1.9030 2.0611 2.0611 2.3175 2.3175 3.0987 3.0987 3.4578 3.4578 9.3204 9.3204 9.3387 9.3387 9.5227 9.5227 10.0846 10.0846 12.3596 12.3596 12.5946 12.5946 k = 0.1848 0.1132-0.0575 ( 3665 PWs) bands (ev): -18.2735 -18.2735 -18.1406 -18.1406 -14.0279 -14.0279 -13.9214 -13.9214 -5.0311 -5.0311 -4.7816 -4.7816 -3.3113 -3.3113 -3.0303 -3.0303 -2.8650 -2.8650 -2.7635 -2.7635 -0.2630 -0.2630 -0.2295 -0.2295 1.8801 1.8801 1.9104 1.9104 2.0940 2.0940 2.2949 2.2949 3.1375 3.1375 3.4547 3.4547 9.2300 9.2300 9.3586 9.3586 9.5670 9.5670 10.1197 10.1197 12.4253 12.4253 12.5934 12.5934 k = 0.1957 0.1199-0.0609 ( 3663 PWs) bands (ev): -18.2686 -18.2686 -18.1390 -18.1390 -14.0261 -14.0261 -13.9266 -13.9266 -5.0428 -5.0428 -4.7866 -4.7866 -3.3279 -3.3279 -3.0565 -3.0565 -2.8780 -2.8780 -2.7619 -2.7619 -0.2599 -0.2599 -0.2242 -0.2242 1.8698 1.8698 1.9191 1.9191 2.1284 2.1284 2.2722 2.2722 3.1752 3.1752 3.4507 3.4507 9.1386 9.1386 9.3806 9.3806 9.6151 9.6151 10.1563 10.1563 12.4920 12.4920 12.5908 12.5908 k = 0.2065 0.1266-0.0643 ( 3661 PWs) bands (ev): -18.2635 -18.2635 -18.1373 -18.1373 -14.0242 -14.0242 -13.9320 -13.9320 -5.0548 -5.0548 -4.7917 -4.7917 -3.3450 -3.3450 -3.0822 -3.0822 -2.8913 -2.8913 -2.7602 -2.7602 -0.2603 -0.2603 -0.2168 -0.2168 1.8611 1.8611 1.9287 1.9287 2.1637 2.1637 2.2496 2.2496 3.2118 3.2118 3.4455 3.4455 9.0476 9.0476 9.4043 9.4043 9.6657 9.6657 10.1944 10.1944 12.5556 12.5556 12.5910 12.5910 k = 0.2174 0.1332-0.0677 ( 3655 PWs) bands (ev): -18.2583 -18.2583 -18.1356 -18.1356 -14.0222 -14.0222 -13.9375 -13.9375 -5.0670 -5.0670 -4.7971 -4.7971 -3.3625 -3.3625 -3.1075 -3.1075 -2.9047 -2.9047 -2.7584 -2.7584 -0.2629 -0.2629 -0.2085 -0.2085 1.8538 1.8538 1.9395 1.9395 2.1981 2.1981 2.2291 2.2291 3.2470 3.2470 3.4393 3.4393 8.9577 8.9577 9.4298 9.4298 9.7184 9.7184 10.2338 10.2338 12.5722 12.5722 12.6379 12.6379 k = 0.2283 0.1399-0.0711 ( 3652 PWs) bands (ev): -18.2530 -18.2530 -18.1339 -18.1339 -14.0203 -14.0203 -13.9432 -13.9432 -5.0795 -5.0795 -4.8026 -4.8026 -3.3804 -3.3804 -3.1321 -3.1321 -2.9182 -2.9182 -2.7565 -2.7565 -0.2670 -0.2670 -0.2001 -0.2001 1.8478 1.8478 1.9516 1.9516 2.2013 2.2013 2.2409 2.2409 3.2806 3.2806 3.4321 3.4321 8.8692 8.8692 9.4572 9.4572 9.7729 9.7729 10.2743 10.2743 12.5645 12.5645 12.7084 12.7084 k = 0.2391 0.1465-0.0744 ( 3659 PWs) bands (ev): -18.2477 -18.2477 -18.1321 -18.1321 -14.0183 -14.0183 -13.9489 -13.9489 -5.0921 -5.0921 -4.8082 -4.8082 -3.3986 -3.3986 -3.1558 -3.1558 -2.9317 -2.9317 -2.7546 -2.7546 -0.2721 -0.2721 -0.1921 -0.1921 1.8428 1.8428 1.9650 1.9650 2.1812 2.1812 2.2768 2.2768 3.3122 3.3122 3.4242 3.4242 8.7825 8.7825 9.4865 9.4865 9.8290 9.8290 10.3158 10.3158 12.5532 12.5532 12.7819 12.7819 k = 0.2500 0.1532-0.0778 ( 3659 PWs) bands (ev): -18.2423 -18.2423 -18.1303 -18.1303 -14.0163 -14.0163 -13.9546 -13.9546 -5.1048 -5.1048 -4.8139 -4.8139 -3.4171 -3.4171 -3.1786 -3.1786 -2.9451 -2.9451 -2.7526 -2.7526 -0.2781 -0.2781 -0.1848 -0.1848 1.8387 1.8387 1.9797 1.9797 2.1613 2.1613 2.3138 2.3138 3.3407 3.3407 3.4166 3.4166 8.6978 8.6978 9.5177 9.5177 9.8866 9.8866 10.3581 10.3581 12.5392 12.5392 12.8571 12.8571 k = 0.2609 0.1599-0.0812 ( 3658 PWs) bands (ev): -18.2369 -18.2369 -18.1286 -18.1286 -14.0144 -14.0144 -13.9603 -13.9603 -5.1175 -5.1175 -4.8197 -4.8197 -3.4359 -3.4359 -3.2002 -3.2002 -2.9583 -2.9583 -2.7505 -2.7505 -0.2847 -0.2847 -0.1781 -0.1781 1.8349 1.8349 1.9957 1.9957 2.1426 2.1426 2.3509 2.3509 3.3624 3.3624 3.4131 3.4131 8.6153 8.6153 9.5507 9.5507 9.9453 9.9453 10.4010 10.4010 12.5224 12.5224 12.9339 12.9339 k = 0.2717 0.1665-0.0846 ( 3660 PWs) bands (ev): -18.2315 -18.2315 -18.1268 -18.1268 -14.0124 -14.0124 -13.9661 -13.9661 -5.1302 -5.1302 -4.8255 -4.8255 -3.4548 -3.4548 -3.2207 -3.2207 -2.9714 -2.9714 -2.7484 -2.7484 -0.2919 -0.2919 -0.1722 -0.1722 1.8312 1.8312 2.0129 2.0129 2.1260 2.1260 2.3877 2.3877 3.3682 3.3682 3.4226 3.4226 8.5353 8.5353 9.5857 9.5857 10.0050 10.0050 10.4444 10.4444 12.5028 12.5028 13.0119 13.0119 k = 0.2826 0.1732-0.0880 ( 3660 PWs) bands (ev): -18.2262 -18.2262 -18.1251 -18.1251 -14.0104 -14.0104 -13.9718 -13.9718 -5.1428 -5.1428 -4.8313 -4.8313 -3.4738 -3.4738 -3.2400 -3.2400 -2.9842 -2.9842 -2.7463 -2.7463 -0.2995 -0.2995 -0.1671 -0.1671 1.8272 1.8272 2.0308 2.0308 2.1120 2.1120 2.4240 2.4240 3.3602 3.3602 3.4430 3.4430 8.4579 8.4579 9.6225 9.6225 10.0655 10.0655 10.4880 10.4880 12.4801 12.4801 13.0908 13.0908 k = 0.2935 0.1798-0.0914 ( 3657 PWs) bands (ev): -18.2209 -18.2209 -18.1234 -18.1234 -14.0085 -14.0085 -13.9775 -13.9775 -5.1553 -5.1553 -4.8371 -4.8371 -3.4927 -3.4927 -3.2581 -3.2581 -2.9967 -2.9967 -2.7441 -2.7441 -0.3075 -0.3075 -0.1627 -0.1627 1.8225 1.8225 2.0482 2.0482 2.1023 2.1023 2.4597 2.4597 3.3469 3.3469 3.4659 3.4659 8.3832 8.3832 9.6612 9.6612 10.1265 10.1265 10.5316 10.5316 12.4543 12.4543 13.1703 13.1703 k = 0.3043 0.1865-0.0947 ( 3657 PWs) bands (ev): -18.2157 -18.2157 -18.1217 -18.1217 -14.0066 -14.0066 -13.9830 -13.9830 -5.1675 -5.1675 -4.8428 -4.8428 -3.5114 -3.5114 -3.2750 -3.2750 -3.0088 -3.0088 -2.7420 -2.7420 -0.3158 -0.3158 -0.1591 -0.1591 1.8167 1.8167 2.0616 2.0616 2.1005 2.1005 2.4945 2.4945 3.3310 3.3310 3.4885 3.4885 8.3116 8.3116 9.7015 9.7015 10.1877 10.1877 10.5751 10.5751 12.4252 12.4252 13.2499 13.2499 k = 0.3152 0.1932-0.0981 ( 3659 PWs) bands (ev): -18.2106 -18.2106 -18.1200 -18.1200 -14.0048 -14.0048 -13.9884 -13.9884 -5.1795 -5.1795 -4.8485 -4.8485 -3.5299 -3.5299 -3.2906 -3.2906 -3.0205 -3.0205 -2.7399 -2.7399 -0.3242 -0.3242 -0.1562 -0.1562 1.8096 1.8096 2.0660 2.0660 2.1117 2.1117 2.5284 2.5284 3.3133 3.3133 3.5101 3.5101 8.2430 8.2430 9.7435 9.7435 10.2490 10.2490 10.6183 10.6183 12.3927 12.3927 13.3288 13.3288 k = 0.3261 0.1998-0.1015 ( 3660 PWs) bands (ev): -18.2056 -18.2056 -18.1184 -18.1184 -14.0030 -14.0030 -13.9937 -13.9937 -5.1912 -5.1912 -4.8540 -4.8540 -3.5479 -3.5479 -3.3051 -3.3051 -3.0317 -3.0317 -2.7378 -2.7378 -0.3328 -0.3328 -0.1540 -0.1540 1.8011 1.8011 2.0659 2.0659 2.1313 2.1313 2.5612 2.5612 3.2943 3.2943 3.5304 3.5304 8.1776 8.1776 9.7870 9.7870 10.3100 10.3100 10.6608 10.6608 12.3570 12.3570 13.4062 13.4062 k = 0.3370 0.2065-0.1049 ( 3662 PWs) bands (ev): -18.2008 -18.2008 -18.1169 -18.1169 -14.0013 -14.0013 -13.9988 -13.9988 -5.2025 -5.2025 -4.8594 -4.8594 -3.5655 -3.5655 -3.3185 -3.3185 -3.0424 -3.0424 -2.7358 -2.7358 -0.3413 -0.3413 -0.1523 -0.1523 1.7914 1.7914 2.0659 2.0659 2.1544 2.1544 2.5928 2.5928 3.2741 3.2741 3.5492 3.5492 8.1156 8.1156 9.8318 9.8318 10.3704 10.3704 10.7025 10.7025 12.3180 12.3180 13.4805 13.4805 k = 0.3478 0.2132-0.1083 ( 3665 PWs) bands (ev): -18.1962 -18.1962 -18.1154 -18.1154 -14.0039 -14.0039 -13.9995 -13.9995 -5.2133 -5.2133 -4.8646 -4.8646 -3.5823 -3.5823 -3.3307 -3.3307 -3.0526 -3.0526 -2.7338 -2.7338 -0.3497 -0.3497 -0.1511 -0.1511 1.7807 1.7807 2.0674 2.0674 2.1790 2.1790 2.6231 2.6231 3.2529 3.2529 3.5665 3.5665 8.0571 8.0571 9.8778 9.8778 10.4299 10.4299 10.7432 10.7432 12.2761 12.2761 13.5489 13.5489 k = 0.3587 0.2198-0.1117 ( 3658 PWs) bands (ev): -18.1917 -18.1917 -18.1140 -18.1140 -14.0086 -14.0086 -13.9980 -13.9980 -5.2237 -5.2237 -4.8696 -4.8696 -3.5985 -3.5985 -3.3419 -3.3419 -3.0622 -3.0622 -2.7319 -2.7319 -0.3580 -0.3580 -0.1504 -0.1504 1.7693 1.7693 2.0705 2.0705 2.2046 2.2046 2.6520 2.6520 3.2308 3.2308 3.5825 3.5825 8.0021 8.0021 9.9247 9.9247 10.4880 10.4880 10.7826 10.7826 12.2315 12.2315 13.6029 13.6029 k = 0.3696 0.2265-0.1150 ( 3655 PWs) bands (ev): -18.1875 -18.1875 -18.1126 -18.1126 -14.0130 -14.0130 -13.9965 -13.9965 -5.2335 -5.2335 -4.8743 -4.8743 -3.6137 -3.6137 -3.3521 -3.3521 -3.0712 -3.0712 -2.7301 -2.7301 -0.3659 -0.3659 -0.1501 -0.1501 1.7575 1.7575 2.0749 2.0749 2.2306 2.2306 2.6795 2.6795 3.2080 3.2080 3.5970 3.5970 7.9509 7.9509 9.9722 9.9722 10.5445 10.5445 10.8206 10.8206 12.1847 12.1847 13.6305 13.6305 k = 0.3804 0.2331-0.1184 ( 3649 PWs) bands (ev): -18.1836 -18.1836 -18.1114 -18.1114 -14.0172 -14.0172 -13.9951 -13.9951 -5.2428 -5.2428 -4.8788 -4.8788 -3.6281 -3.6281 -3.3614 -3.3614 -3.0796 -3.0796 -2.7283 -2.7283 -0.3736 -0.3736 -0.1500 -0.1500 1.7457 1.7457 2.0803 2.0803 2.2569 2.2569 2.7054 2.7054 3.1847 3.1847 3.6101 3.6101 7.9034 7.9034 10.0199 10.0199 10.5989 10.5989 10.8569 10.8569 12.1361 12.1361 13.6420 13.6420 k = 0.3913 0.2398-0.1218 ( 3650 PWs) bands (ev): -18.1799 -18.1799 -18.1102 -18.1102 -14.0212 -14.0212 -13.9938 -13.9938 -5.2514 -5.2514 -4.8830 -4.8830 -3.6414 -3.6414 -3.3697 -3.3697 -3.0873 -3.0873 -2.7267 -2.7267 -0.3808 -0.3808 -0.1503 -0.1503 1.7340 1.7340 2.0864 2.0864 2.2832 2.2832 2.7297 2.7297 3.1609 3.1609 3.6217 3.6217 7.8597 7.8597 10.0675 10.0675 10.6508 10.6508 10.8914 10.8914 12.0864 12.0864 13.6481 13.6481 k = 0.4022 0.2465-0.1252 ( 3658 PWs) bands (ev): -18.1765 -18.1765 -18.1091 -18.1091 -14.0248 -14.0248 -13.9926 -13.9926 -5.2594 -5.2594 -4.8869 -4.8869 -3.6537 -3.6537 -3.3771 -3.3771 -3.0944 -3.0944 -2.7252 -2.7252 -0.3876 -0.3876 -0.1507 -0.1507 1.7229 1.7229 2.0928 2.0928 2.3090 2.3090 2.7524 2.7524 3.1369 3.1369 3.6321 3.6321 7.8200 7.8200 10.1143 10.1143 10.6996 10.6996 10.9237 10.9237 12.0362 12.0362 13.6517 13.6517 k = 0.4130 0.2531-0.1286 ( 3665 PWs) bands (ev): -18.1735 -18.1735 -18.1081 -18.1081 -14.0281 -14.0281 -13.9915 -13.9915 -5.2666 -5.2666 -4.8904 -4.8904 -3.6648 -3.6648 -3.3837 -3.3837 -3.1007 -3.1007 -2.7238 -2.7238 -0.3939 -0.3939 -0.1512 -0.1512 1.7124 1.7124 2.0992 2.0992 2.3342 2.3342 2.7735 2.7735 3.1130 3.1130 3.6412 3.6412 7.7843 7.7843 10.1599 10.1599 10.7451 10.7451 10.9536 10.9536 11.9865 11.9865 13.6538 13.6538 k = 0.4239 0.2598-0.1320 ( 3665 PWs) bands (ev): -18.1707 -18.1707 -18.1073 -18.1073 -14.0310 -14.0310 -13.9905 -13.9905 -5.2730 -5.2730 -4.8936 -4.8936 -3.6747 -3.6747 -3.3894 -3.3894 -3.1064 -3.1064 -2.7225 -2.7225 -0.3995 -0.3995 -0.1518 -0.1518 1.7028 1.7028 2.1055 2.1055 2.3582 2.3582 2.7930 2.7930 3.0893 3.0893 3.6491 3.6491 7.7526 7.7526 10.2035 10.2035 10.7866 10.7866 10.9812 10.9812 11.9381 11.9381 13.6549 13.6549 k = 0.4348 0.2664-0.1353 ( 3671 PWs) bands (ev): -18.1683 -18.1683 -18.1065 -18.1065 -14.0336 -14.0336 -13.9897 -13.9897 -5.2787 -5.2787 -4.8964 -4.8964 -3.6834 -3.6834 -3.3944 -3.3944 -3.1113 -3.1113 -2.7214 -2.7214 -0.4045 -0.4045 -0.1524 -0.1524 1.6943 1.6943 2.1113 2.1113 2.3808 2.3808 2.8109 2.8109 3.0663 3.0663 3.6558 3.6558 7.7251 7.7251 10.2443 10.2443 10.8238 10.8238 11.0059 11.0059 11.8921 11.8921 13.6555 13.6555 k = 0.4457 0.2731-0.1387 ( 3675 PWs) bands (ev): -18.1662 -18.1662 -18.1058 -18.1058 -14.0358 -14.0358 -13.9889 -13.9889 -5.2836 -5.2836 -4.8988 -4.8988 -3.6907 -3.6907 -3.3985 -3.3985 -3.1155 -3.1155 -2.7205 -2.7205 -0.4088 -0.4088 -0.1530 -0.1530 1.6868 1.6868 2.1166 2.1166 2.4012 2.4012 2.8273 2.8273 3.0444 3.0444 3.6614 3.6614 7.7017 7.7017 10.2814 10.2814 10.8561 10.8561 11.0278 11.0278 11.8498 11.8498 13.6557 13.6557 k = 0.4565 0.2798-0.1421 ( 3674 PWs) bands (ev): -18.1645 -18.1645 -18.1053 -18.1053 -14.0376 -14.0376 -13.9883 -13.9883 -5.2876 -5.2876 -4.9007 -4.9007 -3.6968 -3.6968 -3.4019 -3.4019 -3.1189 -3.1189 -2.7197 -2.7197 -0.4123 -0.4123 -0.1536 -0.1536 1.6807 1.6807 2.1210 2.1210 2.4191 2.4191 2.8421 2.8421 3.0239 3.0239 3.6659 3.6659 7.6825 7.6825 10.3137 10.3137 10.8832 10.8832 11.0464 11.0464 11.8124 11.8124 13.6556 13.6556 k = 0.4674 0.2864-0.1455 ( 3675 PWs) bands (ev): -18.1632 -18.1632 -18.1049 -18.1049 -14.0391 -14.0391 -13.9879 -13.9879 -5.2907 -5.2907 -4.9023 -4.9023 -3.7016 -3.7016 -3.4045 -3.4045 -3.1216 -3.1216 -2.7191 -2.7191 -0.4151 -0.4151 -0.1540 -0.1540 1.6758 1.6758 2.1247 2.1247 2.4338 2.4338 2.8553 2.8553 3.0056 3.0056 3.6693 3.6693 7.6675 7.6675 10.3403 10.3403 10.9047 10.9047 11.0614 11.0614 11.7812 11.7812 13.6555 13.6555 k = 0.4783 0.2931-0.1489 ( 3674 PWs) bands (ev): -18.1622 -18.1622 -18.1046 -18.1046 -14.0401 -14.0401 -13.9875 -13.9875 -5.2930 -5.2930 -4.9034 -4.9034 -3.7050 -3.7050 -3.4063 -3.4063 -3.1236 -3.1236 -2.7186 -2.7186 -0.4172 -0.4172 -0.1544 -0.1544 1.6722 1.6722 2.1273 2.1273 2.4449 2.4449 2.8662 2.8662 2.9906 2.9906 3.6718 3.6718 7.6568 7.6568 10.3601 10.3601 10.9203 10.9203 11.0726 11.0726 11.7578 11.7578 13.6553 13.6553 k = 0.4891 0.2997-0.1523 ( 3674 PWs) bands (ev): -18.1616 -18.1616 -18.1044 -18.1044 -14.0407 -14.0407 -13.9873 -13.9873 -5.2943 -5.2943 -4.9041 -4.9041 -3.7071 -3.7071 -3.4074 -3.4074 -3.1247 -3.1247 -2.7184 -2.7184 -0.4184 -0.4184 -0.1546 -0.1546 1.6701 1.6701 2.1289 2.1289 2.4517 2.4517 2.8739 2.8739 2.9802 2.9802 3.6732 3.6732 7.6504 7.6504 10.3724 10.3724 10.9298 10.9298 11.0794 11.0794 11.7431 11.7431 13.6552 13.6552 k = 0.5000 0.3064-0.1556 ( 3682 PWs) bands (ev): -18.1614 -18.1614 -18.1043 -18.1043 -14.0409 -14.0409 -13.9873 -13.9873 -5.2948 -5.2948 -4.9043 -4.9043 -3.7078 -3.7078 -3.4078 -3.4078 -3.1251 -3.1251 -2.7183 -2.7183 -0.4188 -0.4188 -0.1547 -0.1547 1.6694 1.6694 2.1294 2.1294 2.4540 2.4540 2.8767 2.8767 2.9764 2.9764 3.6737 3.6737 7.6482 7.6482 10.3766 10.3766 10.9329 10.9329 11.0817 11.0817 11.7381 11.7381 13.6551 13.6551 k = 0.5000 0.3064-0.1556 ( 3682 PWs) bands (ev): -18.1614 -18.1614 -18.1043 -18.1043 -14.0409 -14.0409 -13.9873 -13.9873 -5.2948 -5.2948 -4.9043 -4.9043 -3.7078 -3.7078 -3.4078 -3.4078 -3.1251 -3.1251 -2.7183 -2.7183 -0.4188 -0.4188 -0.1547 -0.1547 1.6694 1.6694 2.1294 2.1294 2.4540 2.4540 2.8767 2.8767 2.9764 2.9764 3.6737 3.6737 7.6482 7.6482 10.3766 10.3766 10.9329 10.9329 11.0817 11.0817 11.7381 11.7381 13.6551 13.6551 k = 0.5027 0.3081-0.1436 ( 3677 PWs) bands (ev): -18.1614 -18.1614 -18.1044 -18.1044 -14.0408 -14.0408 -13.9873 -13.9873 -5.2942 -5.2942 -4.9048 -4.9048 -3.7069 -3.7069 -3.4074 -3.4074 -3.1257 -3.1257 -2.7198 -2.7198 -0.4181 -0.4181 -0.1544 -0.1544 1.6715 1.6715 2.1292 2.1292 2.4527 2.4527 2.8727 2.8727 2.9801 2.9801 3.6736 3.6736 7.6497 7.6497 10.3728 10.3728 10.9324 10.9324 11.0771 11.0771 11.7454 11.7454 13.6548 13.6548 k = 0.5055 0.3098-0.1315 ( 3681 PWs) bands (ev): -18.1612 -18.1612 -18.1047 -18.1047 -14.0406 -14.0406 -13.9875 -13.9875 -5.2925 -5.2925 -4.9061 -4.9061 -3.7043 -3.7043 -3.4064 -3.4064 -3.1276 -3.1276 -2.7243 -2.7243 -0.4160 -0.4160 -0.1536 -0.1536 1.6776 1.6776 2.1283 2.1283 2.4490 2.4490 2.8617 2.8617 2.9898 2.9898 3.6731 3.6731 7.6542 7.6542 10.3616 10.3616 10.9310 10.9310 11.0641 11.0641 11.7662 11.7662 13.6540 13.6540 k = 0.5082 0.3114-0.1194 ( 3677 PWs) bands (ev): -18.1608 -18.1608 -18.1051 -18.1051 -14.0403 -14.0403 -13.9878 -13.9878 -5.2897 -5.2897 -4.9084 -4.9084 -3.7001 -3.7001 -3.4046 -3.4046 -3.1308 -3.1308 -2.7317 -2.7317 -0.4125 -0.4125 -0.1522 -0.1522 1.6878 1.6878 2.1268 2.1268 2.4428 2.4428 2.8462 2.8462 3.0034 3.0034 3.6723 3.6723 7.6617 7.6617 10.3429 10.3429 10.9285 10.9285 11.0446 11.0446 11.7989 11.7989 13.6525 13.6525 k = 0.5109 0.3131-0.1073 ( 3677 PWs) bands (ev): -18.1603 -18.1603 -18.1057 -18.1057 -14.0398 -14.0398 -13.9882 -13.9882 -5.2857 -5.2857 -4.9116 -4.9116 -3.6941 -3.6941 -3.4022 -3.4022 -3.1353 -3.1353 -2.7420 -2.7420 -0.4076 -0.4076 -0.1504 -0.1504 1.7020 1.7020 2.1247 2.1247 2.4344 2.4344 2.8276 2.8276 3.0191 3.0191 3.6711 3.6711 7.6721 7.6721 10.3169 10.3169 10.9252 10.9252 11.0211 11.0211 11.8410 11.8410 13.6504 13.6504 k = 0.5137 0.3148-0.0952 ( 3675 PWs) bands (ev): -18.1597 -18.1597 -18.1065 -18.1065 -14.0392 -14.0392 -13.9888 -13.9888 -5.2807 -5.2807 -4.9157 -4.9157 -3.6865 -3.6865 -3.3990 -3.3990 -3.1409 -3.1409 -2.7549 -2.7549 -0.4015 -0.4015 -0.1481 -0.1481 1.7199 1.7199 2.1221 2.1221 2.4240 2.4240 2.8065 2.8065 3.0361 3.0361 3.6696 3.6696 7.6855 7.6855 10.2838 10.2838 10.9209 10.9209 10.9957 10.9957 11.8903 11.8903 13.6475 13.6475 k = 0.5164 0.3165-0.0831 ( 3670 PWs) bands (ev): -18.1590 -18.1590 -18.1074 -18.1074 -14.0384 -14.0384 -13.9894 -13.9894 -5.2747 -5.2747 -4.9206 -4.9206 -3.6772 -3.6772 -3.3952 -3.3952 -3.1478 -3.1478 -2.7703 -2.7703 -0.3941 -0.3941 -0.1455 -0.1455 1.7416 1.7416 2.1190 2.1190 2.4118 2.4118 2.7834 2.7834 3.0541 3.0541 3.6678 3.6678 7.7018 7.7018 10.2438 10.2438 10.9156 10.9156 10.9702 10.9702 11.9450 11.9450 13.6437 13.6437 k = 0.5191 0.3181-0.0711 ( 3665 PWs) bands (ev): -18.1581 -18.1581 -18.1085 -18.1085 -14.0376 -14.0376 -13.9902 -13.9902 -5.2676 -5.2676 -4.9264 -4.9264 -3.6662 -3.6662 -3.3906 -3.3906 -3.1558 -3.1558 -2.7880 -2.7880 -0.3856 -0.3856 -0.1425 -0.1425 1.7667 1.7667 2.1156 2.1156 2.3979 2.3979 2.7583 2.7583 3.0726 3.0726 3.6656 3.6656 7.7211 7.7211 10.1976 10.1976 10.9092 10.9092 10.9461 10.9461 12.0036 12.0036 13.6389 13.6389 k = 0.5219 0.3198-0.0590 ( 3661 PWs) bands (ev): -18.1571 -18.1571 -18.1098 -18.1098 -14.0366 -14.0366 -13.9911 -13.9911 -5.2595 -5.2595 -4.9331 -4.9331 -3.6537 -3.6537 -3.3854 -3.3854 -3.1649 -3.1649 -2.8077 -2.8077 -0.3762 -0.3762 -0.1394 -0.1394 1.7950 1.7950 2.1116 2.1116 2.3828 2.3828 2.7313 2.7313 3.0916 3.0916 3.6630 3.6630 7.7432 7.7432 10.1456 10.1456 10.9006 10.9006 10.9251 10.9251 12.0652 12.0652 13.6330 13.6330 k = 0.5246 0.3215-0.0469 ( 3665 PWs) bands (ev): -18.1560 -18.1560 -18.1112 -18.1112 -14.0355 -14.0355 -13.9920 -13.9920 -5.2506 -5.2506 -4.9405 -4.9405 -3.6395 -3.6395 -3.3795 -3.3795 -3.1752 -3.1752 -2.8291 -2.8291 -0.3657 -0.3657 -0.1361 -0.1361 1.8263 1.8263 2.1074 2.1074 2.3665 2.3665 2.7024 2.7024 3.1109 3.1109 3.6600 3.6600 7.7682 7.7682 10.0886 10.0886 10.8881 10.8881 10.9094 10.9094 12.1289 12.1289 13.6260 13.6260 k = 0.5273 0.3232-0.0348 ( 3663 PWs) bands (ev): -18.1548 -18.1548 -18.1127 -18.1127 -14.0343 -14.0343 -13.9931 -13.9931 -5.2408 -5.2408 -4.9486 -4.9486 -3.6238 -3.6238 -3.3728 -3.3728 -3.1864 -3.1864 -2.8521 -2.8521 -0.3545 -0.3545 -0.1328 -0.1328 1.8603 1.8603 2.1030 2.1030 2.3494 2.3494 2.6716 2.6716 3.1304 3.1304 3.6565 3.6565 7.7960 7.7960 10.0273 10.0273 10.8721 10.8721 10.8989 10.8989 12.1940 12.1940 13.6179 13.6179 k = 0.5301 0.3248-0.0227 ( 3659 PWs) bands (ev): -18.1535 -18.1535 -18.1144 -18.1144 -14.0330 -14.0330 -13.9942 -13.9942 -5.2302 -5.2302 -4.9575 -4.9575 -3.6067 -3.6067 -3.3655 -3.3655 -3.1987 -3.1987 -2.8762 -2.8762 -0.3426 -0.3426 -0.1296 -0.1296 1.8967 1.8967 2.0984 2.0984 2.3316 2.3316 2.6391 2.6391 3.1500 3.1500 3.6526 3.6526 7.8267 7.8267 9.9623 9.9623 10.8557 10.8557 10.8908 10.8908 12.2600 12.2600 13.6085 13.6085 k = 0.5328 0.3265-0.0106 ( 3659 PWs) bands (ev): -18.1520 -18.1520 -18.1163 -18.1163 -14.0316 -14.0316 -13.9954 -13.9954 -5.2189 -5.2189 -4.9670 -4.9670 -3.5881 -3.5881 -3.3575 -3.3575 -3.2119 -3.2119 -2.9012 -2.9012 -0.3302 -0.3302 -0.1266 -0.1266 1.9350 1.9350 2.0939 2.0939 2.3133 2.3133 2.6048 2.6048 3.1697 3.1697 3.6483 3.6483 7.8601 7.8601 9.8944 9.8944 10.8403 10.8403 10.8834 10.8834 12.3266 12.3266 13.5981 13.5981 k = 0.5328 0.3265-0.0106 ( 3659 PWs) bands (ev): -18.1520 -18.1520 -18.1163 -18.1163 -14.0316 -14.0316 -13.9954 -13.9954 -5.2189 -5.2189 -4.9670 -4.9670 -3.5881 -3.5881 -3.3575 -3.3575 -3.2119 -3.2119 -2.9012 -2.9012 -0.3302 -0.3302 -0.1266 -0.1266 1.9350 1.9350 2.0939 2.0939 2.3133 2.3133 2.6048 2.6048 3.1697 3.1697 3.6483 3.6483 7.8601 7.8601 9.8944 9.8944 10.8403 10.8403 10.8834 10.8834 12.3266 12.3266 13.5981 13.5981 k = 0.5301 0.3248 0.0023 ( 3660 PWs) bands (ev): -18.1505 -18.1505 -18.1175 -18.1175 -14.0306 -14.0306 -13.9966 -13.9966 -5.2102 -5.2102 -4.9760 -4.9760 -3.5737 -3.5737 -3.3505 -3.3505 -3.2243 -3.2243 -2.9256 -2.9256 -0.3141 -0.3141 -0.1231 -0.1231 1.9614 1.9614 2.0877 2.0877 2.2873 2.2873 2.5827 2.5827 3.1993 3.1993 3.6430 3.6430 7.9050 7.9050 9.7957 9.7957 10.8421 10.8421 10.8860 10.8860 12.3936 12.3936 13.6089 13.6089 k = 0.5273 0.3232 0.0153 ( 3662 PWs) bands (ev): -18.1489 -18.1489 -18.1187 -18.1187 -14.0295 -14.0295 -13.9979 -13.9979 -5.2010 -5.2010 -4.9854 -4.9854 -3.5584 -3.5584 -3.3427 -3.3427 -3.2370 -3.2370 -2.9507 -2.9507 -0.2974 -0.2974 -0.1201 -0.1201 1.9881 1.9881 2.0819 2.0819 2.2612 2.2612 2.5597 2.5597 3.2294 3.2294 3.6368 3.6368 7.9547 7.9547 9.6942 9.6942 10.8449 10.8449 10.8882 10.8882 12.4616 12.4616 13.6205 13.6205 k = 0.5246 0.3215 0.0283 ( 3662 PWs) bands (ev): -18.1474 -18.1474 -18.1200 -18.1200 -14.0283 -14.0283 -13.9992 -13.9992 -5.1915 -5.1915 -4.9951 -4.9951 -3.5425 -3.5425 -3.3343 -3.3343 -3.2498 -3.2498 -2.9762 -2.9762 -0.2804 -0.2804 -0.1178 -0.1178 2.0146 2.0146 2.0774 2.0774 2.2357 2.2357 2.5358 2.5358 3.2597 3.2597 3.6294 3.6294 8.0091 8.0091 9.5908 9.5908 10.8484 10.8484 10.8901 10.8901 12.5307 12.5307 13.6328 13.6328 k = 0.5219 0.3198 0.0412 ( 3658 PWs) bands (ev): -18.1458 -18.1458 -18.1213 -18.1213 -14.0270 -14.0270 -14.0007 -14.0007 -5.1816 -5.1816 -5.0052 -5.0052 -3.5261 -3.5261 -3.3254 -3.3254 -3.2624 -3.2624 -3.0021 -3.0021 -0.2633 -0.2633 -0.1162 -0.1162 2.0386 2.0386 2.0766 2.0766 2.2111 2.2111 2.5110 2.5110 3.2899 3.2899 3.6207 3.6207 8.0680 8.0680 9.4865 9.4865 10.8523 10.8523 10.8914 10.8914 12.6006 12.6006 13.6455 13.6455 k = 0.5191 0.3181 0.0542 ( 3659 PWs) bands (ev): -18.1442 -18.1442 -18.1227 -18.1227 -14.0256 -14.0256 -14.0022 -14.0022 -5.1713 -5.1713 -5.0156 -5.0156 -3.5091 -3.5091 -3.3169 -3.3169 -3.2740 -3.2740 -3.0280 -3.0280 -0.2463 -0.2463 -0.1156 -0.1156 2.0521 2.0521 2.0874 2.0874 2.1878 2.1878 2.4854 2.4854 3.3195 3.3195 3.6108 3.6108 8.1313 8.1313 9.3819 9.3819 10.8565 10.8565 10.8923 10.8923 12.6716 12.6716 13.6575 13.6575 k = 0.5164 0.3165 0.0672 ( 3662 PWs) bands (ev): -18.1426 -18.1426 -18.1241 -18.1241 -14.0241 -14.0241 -14.0038 -14.0038 -5.1608 -5.1608 -5.0263 -5.0263 -3.4919 -3.4919 -3.3121 -3.3121 -3.2810 -3.2810 -3.0539 -3.0539 -0.2296 -0.2296 -0.1162 -0.1162 2.0542 2.0542 2.1108 2.1108 2.1663 2.1663 2.4589 2.4589 3.3485 3.3485 3.5994 3.5994 8.1989 8.1989 9.2777 9.2777 10.8608 10.8608 10.8926 10.8926 12.7435 12.7435 13.6483 13.6483 k = 0.5137 0.3148 0.0801 ( 3661 PWs) bands (ev): -18.1410 -18.1410 -18.1255 -18.1255 -14.0226 -14.0226 -14.0055 -14.0055 -5.1500 -5.1500 -5.0371 -5.0371 -3.4745 -3.4745 -3.3171 -3.3171 -3.2773 -3.2773 -3.0794 -3.0794 -0.2136 -0.2136 -0.1179 -0.1179 2.0540 2.0540 2.1340 2.1340 2.1508 2.1508 2.4319 2.4319 3.3767 3.3767 3.5867 3.5867 8.2707 8.2707 9.1745 9.1745 10.8651 10.8651 10.8924 10.8924 12.8164 12.8164 13.5850 13.5850 k = 0.5109 0.3131 0.0931 ( 3655 PWs) bands (ev): -18.1394 -18.1394 -18.1270 -18.1270 -14.0210 -14.0210 -14.0071 -14.0071 -5.1390 -5.1390 -5.0482 -5.0482 -3.4570 -3.4570 -3.3287 -3.3287 -3.2659 -3.2659 -3.1044 -3.1044 -0.1983 -0.1983 -0.1211 -0.1211 2.0544 2.0544 2.1248 2.1248 2.1707 2.1707 2.4041 2.4041 3.4039 3.4039 3.5724 3.5724 8.3464 8.3464 9.0726 9.0726 10.8693 10.8693 10.8917 10.8917 12.8905 12.8905 13.5116 13.5116 k = 0.5082 0.3114 0.1061 ( 3650 PWs) bands (ev): -18.1378 -18.1378 -18.1285 -18.1285 -14.0193 -14.0193 -14.0089 -14.0089 -5.1278 -5.1278 -5.0594 -5.0594 -3.4397 -3.4397 -3.3427 -3.3427 -3.2512 -3.2512 -3.1288 -3.1288 -0.1839 -0.1839 -0.1256 -0.1256 2.0562 2.0562 2.1091 2.1091 2.1996 2.1996 2.3759 2.3759 3.4299 3.4299 3.5566 3.5566 8.4260 8.4260 8.9724 8.9724 10.8734 10.8734 10.8904 10.8904 12.9657 12.9657 13.4346 13.4346 k = 0.5055 0.3098 0.1191 ( 3650 PWs) bands (ev): -18.1362 -18.1362 -18.1300 -18.1300 -14.0176 -14.0176 -14.0106 -14.0106 -5.1165 -5.1165 -5.0708 -5.0708 -3.4225 -3.4225 -3.3576 -3.3576 -3.2344 -3.2344 -3.1523 -3.1523 -0.1708 -0.1708 -0.1317 -0.1317 2.0598 2.0598 2.0950 2.0950 2.2291 2.2291 2.3471 2.3471 3.4546 3.4546 3.5393 3.5393 8.5093 8.5093 8.8744 8.8744 10.8772 10.8772 10.8887 10.8887 13.0420 13.0420 13.3559 13.3559 k = 0.5027 0.3081 0.1320 ( 3643 PWs) bands (ev): -18.1346 -18.1346 -18.1315 -18.1315 -14.0158 -14.0158 -14.0123 -14.0123 -5.1051 -5.1051 -5.0822 -5.0822 -3.4056 -3.4056 -3.3731 -3.3731 -3.2160 -3.2160 -3.1748 -3.1748 -0.1588 -0.1588 -0.1392 -0.1392 2.0654 2.0654 2.0830 2.0830 2.2589 2.2589 2.3179 2.3179 3.4780 3.4780 3.5204 3.5204 8.5960 8.5960 8.7788 8.7788 10.8807 10.8807 10.8865 10.8865 13.1194 13.1194 13.2767 13.2767 k = 0.5000 0.3064 0.1450 ( 3636 PWs) bands (ev): -18.1331 -18.1331 -18.1331 -18.1331 -14.0141 -14.0141 -14.0141 -14.0141 -5.0936 -5.0936 -5.0936 -5.0936 -3.3892 -3.3892 -3.3892 -3.3892 -3.1961 -3.1961 -3.1961 -3.1961 -0.1483 -0.1483 -0.1483 -0.1483 2.0731 2.0731 2.0731 2.0731 2.2885 2.2885 2.2885 2.2885 3.5000 3.5000 3.5000 3.5000 8.6859 8.6859 8.6859 8.6859 10.8838 10.8838 10.8838 10.8838 13.1978 13.1978 13.1978 13.1978 k = 0.5000 0.3064 0.1450 ( 3636 PWs) bands (ev): -18.1331 -18.1331 -18.1331 -18.1331 -14.0141 -14.0141 -14.0141 -14.0141 -5.0936 -5.0936 -5.0936 -5.0936 -3.3892 -3.3892 -3.3892 -3.3892 -3.1961 -3.1961 -3.1961 -3.1961 -0.1483 -0.1483 -0.1483 -0.1483 2.0731 2.0731 2.0731 2.0731 2.2885 2.2885 2.2885 2.2885 3.5000 3.5000 3.5000 3.5000 8.6859 8.6859 8.6859 8.6859 10.8838 10.8838 10.8838 10.8838 13.1978 13.1978 13.1978 13.1978 k = 0.5067 0.2954 0.1450 ( 3640 PWs) bands (ev): -18.1331 -18.1331 -18.1331 -18.1331 -14.0141 -14.0141 -14.0141 -14.0141 -5.0948 -5.0948 -5.0927 -5.0927 -3.3914 -3.3914 -3.3896 -3.3896 -3.1952 -3.1952 -3.1942 -3.1942 -0.1496 -0.1496 -0.1480 -0.1480 2.0741 2.0741 2.0746 2.0746 2.2871 2.2871 2.2900 2.2900 3.4989 3.4989 3.4996 3.4996 8.6883 8.6883 8.6883 8.6883 10.8806 10.8806 10.8813 10.8813 13.1970 13.1970 13.1986 13.1986 k = 0.5135 0.2844 0.1450 ( 3642 PWs) bands (ev): -18.1331 -18.1331 -18.1331 -18.1331 -14.0141 -14.0141 -14.0140 -14.0140 -5.0963 -5.0963 -5.0920 -5.0920 -3.3962 -3.3962 -3.3927 -3.3927 -3.1918 -3.1918 -3.1897 -3.1897 -0.1519 -0.1519 -0.1488 -0.1488 2.0774 2.0774 2.0785 2.0785 2.2859 2.2859 2.2917 2.2917 3.4965 3.4965 3.4980 3.4980 8.6954 8.6954 8.6954 8.6954 10.8717 10.8717 10.8732 10.8732 13.1962 13.1962 13.1995 13.1995 k = 0.5202 0.2734 0.1450 ( 3654 PWs) bands (ev): -18.1330 -18.1330 -18.1330 -18.1330 -14.0142 -14.0142 -14.0140 -14.0140 -5.0980 -5.0980 -5.0915 -5.0915 -3.4031 -3.4031 -3.3981 -3.3981 -3.1862 -3.1862 -3.1828 -3.1828 -0.1552 -0.1552 -0.1506 -0.1506 2.0829 2.0829 2.0846 2.0846 2.2849 2.2849 2.2936 2.2936 3.4928 3.4928 3.4950 3.4950 8.7072 8.7072 8.7072 8.7072 10.8574 10.8574 10.8595 10.8595 13.1956 13.1956 13.2005 13.2005 k = 0.5269 0.2625 0.1450 ( 3656 PWs) bands (ev): -18.1330 -18.1330 -18.1330 -18.1330 -14.0141 -14.0141 -14.0140 -14.0140 -5.1000 -5.1000 -5.0913 -5.0913 -3.4116 -3.4116 -3.4053 -3.4053 -3.1791 -3.1791 -3.1741 -3.1741 -0.1593 -0.1593 -0.1533 -0.1533 2.0905 2.0905 2.0929 2.0929 2.2841 2.2841 2.2957 2.2957 3.4879 3.4879 3.4908 3.4908 8.7237 8.7237 8.7238 8.7238 10.8377 10.8377 10.8405 10.8405 13.1949 13.1949 13.2015 13.2015 k = 0.5337 0.2515 0.1450 ( 3658 PWs) bands (ev): -18.1329 -18.1329 -18.1329 -18.1329 -14.0141 -14.0141 -14.0139 -14.0139 -5.1021 -5.1021 -5.0914 -5.0914 -3.4212 -3.4212 -3.4139 -3.4139 -3.1708 -3.1708 -3.1641 -3.1641 -0.1641 -0.1641 -0.1567 -0.1567 2.0998 2.0998 2.1030 2.1030 2.2836 2.2836 2.2981 2.2981 3.4818 3.4818 3.4856 3.4856 8.7449 8.7449 8.7450 8.7450 10.8130 10.8130 10.8163 10.8163 13.1943 13.1943 13.2024 13.2024 k = 0.5404 0.2405 0.1450 ( 3660 PWs) bands (ev): -18.1328 -18.1328 -18.1328 -18.1328 -14.0141 -14.0141 -14.0139 -14.0139 -5.1045 -5.1045 -5.0917 -5.0917 -3.4315 -3.4315 -3.4234 -3.4234 -3.1620 -3.1620 -3.1531 -3.1531 -0.1693 -0.1693 -0.1608 -0.1608 2.1104 2.1104 2.1147 2.1147 2.2835 2.2835 2.3009 2.3009 3.4748 3.4748 3.4793 3.4793 8.7707 8.7707 8.7708 8.7708 10.7834 10.7834 10.7873 10.7873 13.1936 13.1936 13.2032 13.2032 k = 0.5471 0.2295 0.1450 ( 3658 PWs) bands (ev): -18.1328 -18.1328 -18.1328 -18.1328 -14.0141 -14.0141 -14.0138 -14.0138 -5.1070 -5.1070 -5.0922 -5.0922 -3.4420 -3.4420 -3.4334 -3.4334 -3.1528 -3.1528 -3.1416 -3.1416 -0.1749 -0.1749 -0.1653 -0.1653 2.1220 2.1220 2.1273 2.1273 2.2839 2.2839 2.3041 2.3041 3.4669 3.4669 3.4724 3.4724 8.8011 8.8011 8.8011 8.8011 10.7494 10.7494 10.7537 10.7537 13.1928 13.1928 13.2039 13.2039 k = 0.5539 0.2185 0.1450 ( 3650 PWs) bands (ev): -18.1327 -18.1327 -18.1327 -18.1327 -14.0141 -14.0141 -14.0137 -14.0137 -5.1097 -5.1097 -5.0928 -5.0928 -3.4526 -3.4526 -3.4437 -3.4437 -3.1437 -3.1437 -3.1300 -3.1300 -0.1806 -0.1806 -0.1701 -0.1701 2.1340 2.1340 2.1404 2.1404 2.2851 2.2851 2.3079 2.3079 3.4584 3.4584 3.4648 3.4648 8.8359 8.8359 8.8359 8.8359 10.7113 10.7113 10.7160 10.7160 13.1919 13.1919 13.2043 13.2043 k = 0.5606 0.2075 0.1450 ( 3650 PWs) bands (ev): -18.1326 -18.1326 -18.1326 -18.1326 -14.0140 -14.0140 -14.0136 -14.0136 -5.1125 -5.1125 -5.0937 -5.0937 -3.4630 -3.4630 -3.4541 -3.4541 -3.1348 -3.1348 -3.1184 -3.1184 -0.1863 -0.1863 -0.1750 -0.1750 2.1461 2.1461 2.1532 2.1532 2.2873 2.2873 2.3122 2.3122 3.4495 3.4495 3.4570 3.4570 8.8751 8.8751 8.8751 8.8751 10.6695 10.6695 10.6745 10.6745 13.1907 13.1907 13.2044 13.2044 k = 0.5673 0.1965 0.1450 ( 3646 PWs) bands (ev): -18.1325 -18.1325 -18.1325 -18.1325 -14.0140 -14.0140 -14.0135 -14.0135 -5.1154 -5.1154 -5.0947 -5.0947 -3.4730 -3.4730 -3.4642 -3.4642 -3.1265 -3.1265 -3.1070 -3.1070 -0.1916 -0.1916 -0.1798 -0.1798 2.1577 2.1577 2.1650 2.1650 2.2909 2.2909 2.3171 2.3171 3.4403 3.4403 3.4490 3.4490 8.9185 8.9185 8.9185 8.9185 10.6244 10.6244 10.6296 10.6296 13.1892 13.1892 13.2041 13.2041 k = 0.5741 0.1856 0.1450 ( 3642 PWs) bands (ev): -18.1325 -18.1325 -18.1325 -18.1325 -14.0139 -14.0139 -14.0134 -14.0134 -5.1184 -5.1184 -5.0959 -5.0959 -3.4825 -3.4825 -3.4741 -3.4741 -3.1187 -3.1187 -3.0961 -3.0961 -0.1964 -0.1964 -0.1842 -0.1842 2.1685 2.1685 2.1752 2.1752 2.2961 2.2961 2.3225 2.3225 3.4313 3.4313 3.4412 3.4412 8.9661 8.9661 8.9661 8.9661 10.5764 10.5764 10.5817 10.5817 13.1874 13.1874 13.2034 13.2034 k = 0.5808 0.1746 0.1450 ( 3644 PWs) bands (ev): -18.1325 -18.1325 -18.1325 -18.1325 -14.0138 -14.0138 -14.0133 -14.0133 -5.1214 -5.1214 -5.0971 -5.0971 -3.4914 -3.4914 -3.4835 -3.4835 -3.1117 -3.1117 -3.0857 -3.0857 -0.2006 -0.2006 -0.1881 -0.1881 2.1780 2.1780 2.1831 2.1831 2.3030 2.3030 2.3284 2.3284 3.4227 3.4227 3.4340 3.4340 9.0177 9.0177 9.0177 9.0177 10.5259 10.5259 10.5312 10.5312 13.1851 13.1851 13.2022 13.2022 k = 0.5875 0.1636 0.1450 ( 3644 PWs) bands (ev): -18.1324 -18.1324 -18.1324 -18.1324 -14.0137 -14.0137 -14.0131 -14.0131 -5.1244 -5.1244 -5.0984 -5.0984 -3.4995 -3.4995 -3.4923 -3.4923 -3.1056 -3.1056 -3.0760 -3.0760 -0.2039 -0.2039 -0.1913 -0.1913 2.1862 2.1862 2.1885 2.1885 2.3113 2.3113 2.3343 2.3343 3.4147 3.4147 3.4275 3.4275 9.0731 9.0731 9.0731 9.0731 10.4732 10.4732 10.4785 10.4785 13.1824 13.1824 13.2004 13.2004 k = 0.5943 0.1526 0.1450 ( 3646 PWs) bands (ev): -18.1325 -18.1325 -18.1325 -18.1325 -14.0135 -14.0135 -14.0130 -14.0130 -5.1273 -5.1273 -5.0997 -5.0997 -3.5068 -3.5068 -3.5006 -3.5006 -3.1003 -3.1003 -3.0670 -3.0670 -0.2062 -0.2062 -0.1937 -0.1937 2.1916 2.1916 2.1929 2.1929 2.3206 2.3206 2.3400 2.3400 3.4077 3.4077 3.4221 3.4221 9.1322 9.1322 9.1322 9.1322 10.4188 10.4188 10.4240 10.4240 13.1791 13.1791 13.1980 13.1980 k = 0.6010 0.1416 0.1450 ( 3640 PWs) bands (ev): -18.1325 -18.1325 -18.1325 -18.1325 -14.0134 -14.0134 -14.0128 -14.0128 -5.1302 -5.1302 -5.1010 -5.1010 -3.5133 -3.5133 -3.5083 -3.5083 -3.0960 -3.0960 -3.0588 -3.0588 -0.2073 -0.2073 -0.1951 -0.1951 2.1925 2.1925 2.1981 2.1981 2.3301 2.3301 2.3451 2.3451 3.4019 3.4019 3.4181 3.4181 9.1948 9.1948 9.1949 9.1949 10.3630 10.3630 10.3681 10.3681 13.1753 13.1753 13.1949 13.1949 k = 0.6077 0.1306 0.1450 ( 3636 PWs) bands (ev): -18.1326 -18.1326 -18.1326 -18.1326 -14.0132 -14.0132 -14.0125 -14.0125 -5.1329 -5.1329 -5.1022 -5.1022 -3.5189 -3.5189 -3.5152 -3.5152 -3.0927 -3.0927 -3.0513 -3.0513 -0.2073 -0.2073 -0.1955 -0.1955 2.1917 2.1917 2.2021 2.2021 2.3392 2.3392 2.3489 2.3489 3.3976 3.3976 3.4156 3.4156 9.2607 9.2607 9.2608 9.2608 10.3062 10.3062 10.3110 10.3110 13.1708 13.1708 13.1911 13.1911 k = 0.6145 0.1196 0.1450 ( 3634 PWs) bands (ev): -18.1328 -18.1328 -18.1328 -18.1328 -14.0129 -14.0129 -14.0123 -14.0123 -5.1355 -5.1355 -5.1034 -5.1034 -3.5236 -3.5236 -3.5214 -3.5214 -3.0903 -3.0903 -3.0447 -3.0447 -0.2060 -0.2060 -0.1947 -0.1947 2.1894 2.1894 2.2048 2.2048 2.3472 2.3472 2.3512 2.3512 3.3949 3.3949 3.4148 3.4148 9.3296 9.3296 9.3297 9.3297 10.2487 10.2487 10.2533 10.2533 13.1658 13.1658 13.1865 13.1865 k = 0.6212 0.1086 0.1450 ( 3634 PWs) bands (ev): -18.1330 -18.1330 -18.1330 -18.1330 -14.0127 -14.0127 -14.0120 -14.0120 -5.1379 -5.1379 -5.1044 -5.1044 -3.5273 -3.5273 -3.5268 -3.5268 -3.0889 -3.0889 -3.0389 -3.0389 -0.2033 -0.2033 -0.1927 -0.1927 2.1858 2.1858 2.2065 2.2065 2.3516 2.3516 2.3536 2.3536 3.3941 3.3941 3.4160 3.4160 9.4013 9.4013 9.4015 9.4015 10.1909 10.1909 10.1951 10.1951 13.1601 13.1601 13.1812 13.1812 k = 0.6279 0.0977 0.1450 ( 3632 PWs) bands (ev): -18.1333 -18.1333 -18.1333 -18.1333 -14.0124 -14.0124 -14.0117 -14.0117 -5.1400 -5.1400 -5.1052 -5.1052 -3.5314 -3.5314 -3.5300 -3.5300 -3.0884 -3.0884 -3.0339 -3.0339 -0.1993 -0.1993 -0.1895 -0.1895 2.1811 2.1811 2.2071 2.2071 2.3499 2.3499 2.3582 2.3582 3.3951 3.3951 3.4190 3.4190 9.4754 9.4754 9.4757 9.4757 10.1331 10.1331 10.1369 10.1369 13.1538 13.1538 13.1751 13.1751 k = 0.6347 0.0867 0.1450 ( 3630 PWs) bands (ev): -18.1336 -18.1336 -18.1336 -18.1336 -14.0121 -14.0121 -14.0113 -14.0113 -5.1419 -5.1419 -5.1058 -5.1058 -3.5353 -3.5353 -3.5318 -3.5318 -3.0887 -3.0887 -3.0296 -3.0296 -0.1940 -0.1940 -0.1850 -0.1850 2.1754 2.1754 2.2068 2.2068 2.3461 2.3461 2.3608 2.3608 3.3979 3.3979 3.4238 3.4238 9.5515 9.5515 9.5520 9.5520 10.0757 10.0757 10.0789 10.0789 13.1466 13.1466 13.1681 13.1681 k = 0.6414 0.0757 0.1450 ( 3634 PWs) bands (ev): -18.1341 -18.1341 -18.1341 -18.1341 -14.0117 -14.0117 -14.0109 -14.0109 -5.1434 -5.1434 -5.1062 -5.1062 -3.5383 -3.5383 -3.5326 -3.5326 -3.0899 -3.0899 -3.0260 -3.0260 -0.1874 -0.1874 -0.1794 -0.1794 2.1687 2.1687 2.2055 2.2055 2.3402 2.3402 2.3615 2.3615 3.4025 3.4025 3.4302 3.4302 9.6289 9.6289 9.6299 9.6299 10.0194 10.0194 10.0218 10.0218 13.1387 13.1387 13.1602 13.1602 k = 0.6481 0.0647 0.1450 ( 3634 PWs) bands (ev): -18.1346 -18.1346 -18.1346 -18.1346 -14.0113 -14.0113 -14.0105 -14.0105 -5.1446 -5.1446 -5.1063 -5.1063 -3.5406 -3.5406 -3.5325 -3.5325 -3.0918 -3.0918 -3.0230 -3.0230 -0.1797 -0.1797 -0.1727 -0.1727 2.1610 2.1610 2.2033 2.2033 2.3324 2.3324 2.3603 2.3603 3.4086 3.4086 3.4381 3.4381 9.7061 9.7061 9.7082 9.7082 9.9655 9.9655 9.9665 9.9665 13.1299 13.1299 13.1514 13.1514 k = 0.6549 0.0537 0.1450 ( 3634 PWs) bands (ev): -18.1352 -18.1352 -18.1352 -18.1352 -14.0109 -14.0109 -14.0100 -14.0100 -5.1454 -5.1454 -5.1061 -5.1061 -3.5420 -3.5420 -3.5313 -3.5313 -3.0943 -3.0943 -3.0206 -3.0206 -0.1708 -0.1708 -0.1650 -0.1650 2.1525 2.1525 2.2000 2.2000 2.3231 2.3231 2.3574 2.3574 3.4160 3.4160 3.4472 3.4472 9.7776 9.7776 9.7827 9.7827 9.9172 9.9172 9.9195 9.9195 13.1201 13.1201 13.1414 13.1414 k = 0.6616 0.0427 0.1450 ( 3638 PWs) bands (ev): -18.1359 -18.1359 -18.1359 -18.1359 -14.0104 -14.0104 -14.0095 -14.0095 -5.1459 -5.1459 -5.1055 -5.1055 -3.5426 -3.5426 -3.5293 -3.5293 -3.0974 -3.0974 -3.0187 -3.0187 -0.1609 -0.1609 -0.1563 -0.1563 2.1431 2.1431 2.1955 2.1955 2.3128 2.3128 2.3530 2.3530 3.4243 3.4243 3.4571 3.4571 9.8085 9.8085 9.8183 9.8183 9.9085 9.9085 9.9159 9.9159 13.1093 13.1093 13.1304 13.1304 k = 0.6683 0.0317 0.1450 ( 3636 PWs) bands (ev): -18.1367 -18.1367 -18.1367 -18.1367 -14.0098 -14.0098 -14.0090 -14.0090 -5.1458 -5.1458 -5.1046 -5.1046 -3.5424 -3.5424 -3.5263 -3.5263 -3.1009 -3.1009 -3.0171 -3.0171 -0.1501 -0.1501 -0.1469 -0.1469 2.1329 2.1329 2.1896 2.1896 2.3019 2.3019 2.3475 2.3475 3.4334 3.4334 3.4675 3.4675 9.7752 9.7752 9.7821 9.7821 9.9735 9.9735 9.9783 9.9783 13.0973 13.0973 13.1181 13.1181 k = 0.6751 0.0208 0.1450 ( 3642 PWs) bands (ev): -18.1376 -18.1376 -18.1376 -18.1376 -14.0092 -14.0092 -14.0083 -14.0083 -5.1453 -5.1453 -5.1032 -5.1032 -3.5414 -3.5414 -3.5223 -3.5223 -3.1047 -3.1047 -3.0159 -3.0159 -0.1387 -0.1387 -0.1368 -0.1368 2.1219 2.1219 2.1821 2.1821 2.2911 2.2911 2.3412 2.3412 3.4428 3.4428 3.4781 3.4781 9.7273 9.7273 9.7327 9.7327 10.0530 10.0530 10.0565 10.0565 13.0841 13.0841 13.1045 13.1045 k = 0.3249-0.5303 0.3006 ( 3642 PWs) bands (ev): -18.1376 -18.1376 -18.1376 -18.1376 -14.0092 -14.0092 -14.0083 -14.0083 -5.1453 -5.1453 -5.1032 -5.1032 -3.5414 -3.5414 -3.5223 -3.5223 -3.1047 -3.1047 -3.0159 -3.0159 -0.1387 -0.1387 -0.1368 -0.1368 2.1219 2.1219 2.1821 2.1821 2.2911 2.2911 2.3412 2.3412 3.4428 3.4428 3.4781 3.4781 9.7273 9.7273 9.7327 9.7327 10.0530 10.0530 10.0565 10.0565 13.0841 13.0841 13.1045 13.1045 k = 0.3180-0.5190 0.3006 ( 3652 PWs) bands (ev): -18.1387 -18.1387 -18.1387 -18.1387 -14.0086 -14.0086 -14.0077 -14.0077 -5.1444 -5.1444 -5.1014 -5.1014 -3.5395 -3.5395 -3.5174 -3.5174 -3.1089 -3.1089 -3.0148 -3.0148 -0.1264 -0.1264 -0.1259 -0.1259 2.1099 2.1099 2.1725 2.1725 2.2806 2.2806 2.3341 2.3341 3.4524 3.4524 3.4888 3.4888 9.6766 9.6766 9.6809 9.6809 10.1367 10.1367 10.1396 10.1396 13.0692 13.0692 13.0892 13.0892 k = 0.3111-0.5077 0.3006 ( 3648 PWs) bands (ev): -18.1398 -18.1398 -18.1398 -18.1398 -14.0079 -14.0079 -14.0069 -14.0069 -5.1428 -5.1428 -5.0991 -5.0991 -3.5368 -3.5368 -3.5115 -3.5115 -3.1131 -3.1131 -3.0139 -3.0139 -0.1148 -0.1148 -0.1138 -0.1138 2.0975 2.0975 2.1611 2.1611 2.2712 2.2712 2.3267 2.3267 3.4616 3.4616 3.4989 3.4989 9.6264 9.6264 9.6302 9.6302 10.2201 10.2201 10.2227 10.2227 13.0528 13.0528 13.0724 13.0724 k = 0.3042-0.4964 0.3006 ( 3648 PWs) bands (ev): -18.1411 -18.1411 -18.1411 -18.1411 -14.0071 -14.0071 -14.0061 -14.0061 -5.1408 -5.1408 -5.0963 -5.0963 -3.5332 -3.5332 -3.5047 -3.5047 -3.1174 -3.1174 -3.0131 -3.0131 -0.1035 -0.1035 -0.1011 -0.1011 2.0848 2.0848 2.1480 2.1480 2.2631 2.2631 2.3191 2.3191 3.4700 3.4700 3.5082 3.5082 9.5777 9.5777 9.5810 9.5810 10.3023 10.3023 10.3046 10.3046 13.0351 13.0351 13.0543 13.0543 k = 0.2973-0.4851 0.3006 ( 3648 PWs) bands (ev): -18.1426 -18.1426 -18.1426 -18.1426 -14.0062 -14.0062 -14.0053 -14.0053 -5.1382 -5.1382 -5.0930 -5.0930 -3.5287 -3.5287 -3.4970 -3.4970 -3.1215 -3.1215 -3.0122 -3.0122 -0.0925 -0.0925 -0.0885 -0.0885 2.0720 2.0720 2.1337 2.1337 2.2561 2.2561 2.3116 2.3116 3.4775 3.4775 3.5163 3.5163 9.5306 9.5306 9.5336 9.5336 10.3821 10.3821 10.3843 10.3843 13.0161 13.0161 13.0350 13.0350 k = 0.2904-0.4738 0.3006 ( 3660 PWs) bands (ev): -18.1441 -18.1441 -18.1441 -18.1441 -14.0053 -14.0053 -14.0044 -14.0044 -5.1350 -5.1350 -5.0892 -5.0892 -3.5234 -3.5234 -3.4884 -3.4884 -3.1254 -3.1254 -3.0111 -3.0111 -0.0817 -0.0817 -0.0763 -0.0763 2.0595 2.0595 2.1188 2.1188 2.2503 2.2503 2.3042 2.3042 3.4835 3.4835 3.5229 3.5229 9.4856 9.4856 9.4882 9.4882 10.4589 10.4589 10.4610 10.4610 12.9960 12.9960 13.0146 13.0146 k = 0.2835-0.4626 0.3006 ( 3664 PWs) bands (ev): -18.1458 -18.1458 -18.1458 -18.1458 -14.0044 -14.0044 -14.0034 -14.0034 -5.1313 -5.1313 -5.0849 -5.0849 -3.5173 -3.5173 -3.4791 -3.4791 -3.1290 -3.1290 -3.0099 -3.0099 -0.0716 -0.0716 -0.0646 -0.0646 2.0475 2.0475 2.1036 2.1036 2.2453 2.2453 2.2971 2.2971 3.4880 3.4880 3.5278 3.5278 9.4426 9.4426 9.4450 9.4450 10.5319 10.5319 10.5338 10.5338 12.9751 12.9751 12.9935 12.9935 k = 0.2766-0.4513 0.3006 ( 3664 PWs) bands (ev): -18.1476 -18.1476 -18.1476 -18.1476 -14.0034 -14.0034 -14.0024 -14.0024 -5.1271 -5.1271 -5.0802 -5.0802 -3.5103 -3.5103 -3.4689 -3.4689 -3.1321 -3.1321 -3.0084 -3.0084 -0.0623 -0.0623 -0.0538 -0.0538 2.0363 2.0363 2.0889 2.0889 2.2411 2.2411 2.2902 2.2902 3.4907 3.4907 3.5309 3.5309 9.4019 9.4019 9.4041 9.4041 10.6001 10.6001 10.6019 10.6019 12.9539 12.9539 12.9724 12.9724 k = 0.2696-0.4400 0.3006 ( 3666 PWs) bands (ev): -18.1495 -18.1495 -18.1495 -18.1495 -14.0023 -14.0023 -14.0013 -14.0013 -5.1223 -5.1223 -5.0749 -5.0749 -3.5024 -3.5024 -3.4580 -3.4580 -3.1346 -3.1346 -3.0066 -3.0066 -0.0540 -0.0540 -0.0440 -0.0440 2.0261 2.0261 2.0750 2.0750 2.2374 2.2374 2.2836 2.2836 3.4914 3.4914 3.5319 3.5319 9.3636 9.3636 9.3656 9.3656 10.6626 10.6626 10.6643 10.6643 12.9331 12.9331 12.9516 12.9516 k = 0.2627-0.4287 0.3006 ( 3670 PWs) bands (ev): -18.1516 -18.1516 -18.1516 -18.1516 -14.0012 -14.0012 -14.0001 -14.0001 -5.1169 -5.1169 -5.0691 -5.0691 -3.4936 -3.4936 -3.4463 -3.4463 -3.1365 -3.1365 -3.0044 -3.0044 -0.0469 -0.0469 -0.0355 -0.0355 2.0173 2.0173 2.0623 2.0623 2.2342 2.2342 2.2774 2.2774 3.4900 3.4900 3.5307 3.5307 9.3278 9.3278 9.3296 9.3296 10.7186 10.7186 10.7202 10.7202 12.9131 12.9131 12.9318 12.9318 k = 0.2558-0.4174 0.3006 ( 3668 PWs) bands (ev): -18.1538 -18.1538 -18.1538 -18.1538 -14.0000 -14.0000 -13.9990 -13.9990 -5.1111 -5.1111 -5.0629 -5.0629 -3.4840 -3.4840 -3.4339 -3.4339 -3.1376 -3.1376 -3.0018 -3.0018 -0.0413 -0.0413 -0.0284 -0.0284 2.0101 2.0101 2.0511 2.0511 2.2313 2.2313 2.2714 2.2714 3.4865 3.4865 3.5272 3.5272 9.2944 9.2944 9.2961 9.2961 10.7672 10.7672 10.7687 10.7687 12.8948 12.8948 12.9137 12.9137 k = 0.2489-0.4062 0.3006 ( 3668 PWs) bands (ev): -18.1561 -18.1561 -18.1561 -18.1561 -13.9987 -13.9987 -13.9977 -13.9977 -5.1047 -5.1047 -5.0562 -5.0562 -3.4734 -3.4734 -3.4209 -3.4209 -3.1379 -3.1379 -2.9987 -2.9987 -0.0372 -0.0372 -0.0230 -0.0230 2.0045 2.0045 2.0416 2.0416 2.2288 2.2288 2.2657 2.2657 3.4807 3.4807 3.5215 3.5215 9.2637 9.2637 9.2654 9.2654 10.8077 10.8077 10.8091 10.8091 12.8786 12.8786 12.8980 12.8980 k = 0.2420-0.3949 0.3006 ( 3670 PWs) bands (ev): -18.1585 -18.1585 -18.1585 -18.1585 -13.9974 -13.9974 -13.9964 -13.9964 -5.0979 -5.0979 -5.0491 -5.0491 -3.4620 -3.4620 -3.4073 -3.4073 -3.1373 -3.1373 -2.9951 -2.9951 -0.0347 -0.0347 -0.0193 -0.0193 2.0008 2.0008 2.0339 2.0339 2.2266 2.2266 2.2603 2.2603 3.4727 3.4727 3.5134 3.5134 9.2357 9.2357 9.2373 9.2373 10.8392 10.8392 10.8405 10.8405 12.8652 12.8652 12.8850 12.8850 k = 0.2351-0.3836 0.3006 ( 3674 PWs) bands (ev): -18.1611 -18.1611 -18.1611 -18.1611 -13.9961 -13.9961 -13.9951 -13.9951 -5.0906 -5.0906 -5.0416 -5.0416 -3.4497 -3.4497 -3.3932 -3.3932 -3.1357 -3.1357 -2.9911 -2.9911 -0.0340 -0.0340 -0.0175 -0.0175 1.9989 1.9989 2.0281 2.0281 2.2246 2.2246 2.2551 2.2551 3.4625 3.4625 3.5031 3.5031 9.2104 9.2104 9.2119 9.2119 10.8613 10.8613 10.8627 10.8627 12.8548 12.8548 12.8750 12.8750 k = 0.2282-0.3723 0.3006 ( 3674 PWs) bands (ev): -18.1637 -18.1637 -18.1637 -18.1637 -13.9947 -13.9947 -13.9937 -13.9937 -5.0829 -5.0829 -5.0338 -5.0338 -3.4366 -3.4366 -3.3785 -3.3785 -3.1331 -3.1331 -2.9865 -2.9865 -0.0351 -0.0351 -0.0176 -0.0176 1.9990 1.9990 2.0242 2.0242 2.2230 2.2230 2.2501 2.2501 3.4501 3.4501 3.4905 3.4905 9.1878 9.1878 9.1894 9.1894 10.8739 10.8739 10.8752 10.8752 12.8476 12.8476 12.8682 12.8682 k = 0.2212-0.3610 0.3006 ( 3676 PWs) bands (ev): -18.1664 -18.1664 -18.1664 -18.1664 -13.9933 -13.9933 -13.9923 -13.9923 -5.0748 -5.0748 -5.0256 -5.0256 -3.4226 -3.4226 -3.3635 -3.3635 -3.1293 -3.1293 -2.9814 -2.9814 -0.0380 -0.0380 -0.0196 -0.0196 2.0010 2.0010 2.0222 2.0222 2.2217 2.2217 2.2454 2.2454 3.4356 3.4356 3.4758 3.4758 9.1681 9.1681 9.1697 9.1697 10.8768 10.8768 10.8782 10.8782 12.8433 12.8433 12.8641 12.8641 k = 0.2143-0.3497 0.3006 ( 3670 PWs) bands (ev): -18.1693 -18.1693 -18.1693 -18.1693 -13.9918 -13.9918 -13.9908 -13.9908 -5.0664 -5.0664 -5.0171 -5.0171 -3.4078 -3.4078 -3.3481 -3.3481 -3.1243 -3.1243 -2.9758 -2.9758 -0.0427 -0.0427 -0.0235 -0.0235 2.0047 2.0047 2.0219 2.0219 2.2207 2.2207 2.2408 2.2408 3.4193 3.4193 3.4592 3.4592 9.1512 9.1512 9.1528 9.1528 10.8703 10.8703 10.8719 10.8719 12.8412 12.8412 12.8621 12.8621 k = 0.2074-0.3385 0.3006 ( 3666 PWs) bands (ev): -18.1722 -18.1722 -18.1722 -18.1722 -13.9903 -13.9903 -13.9893 -13.9893 -5.0575 -5.0575 -5.0084 -5.0084 -3.3922 -3.3922 -3.3326 -3.3326 -3.1180 -3.1180 -2.9696 -2.9696 -0.0490 -0.0490 -0.0292 -0.0292 2.0100 2.0100 2.0231 2.0231 2.2201 2.2201 2.2364 2.2364 3.4013 3.4013 3.4408 3.4408 9.1371 9.1371 9.1388 9.1388 10.8550 10.8550 10.8567 10.8567 12.8402 12.8402 12.8609 12.8609 k = 0.2005-0.3272 0.3006 ( 3672 PWs) bands (ev): -18.1751 -18.1751 -18.1751 -18.1751 -13.9887 -13.9887 -13.9878 -13.9878 -5.0484 -5.0484 -4.9994 -4.9994 -3.3758 -3.3758 -3.3169 -3.3169 -3.1104 -3.1104 -2.9630 -2.9630 -0.0570 -0.0570 -0.0368 -0.0368 2.0166 2.0166 2.0255 2.0255 2.2198 2.2198 2.2322 2.2322 3.3819 3.3819 3.4208 3.4208 9.1258 9.1258 9.1276 9.1276 10.8315 10.8315 10.8334 10.8334 12.8387 12.8387 12.8588 12.8588 k = 0.1936-0.3159 0.3006 ( 3672 PWs) bands (ev): -18.1782 -18.1782 -18.1782 -18.1782 -13.9872 -13.9872 -13.9862 -13.9862 -5.0391 -5.0391 -4.9903 -4.9903 -3.3587 -3.3587 -3.3012 -3.3012 -3.1015 -3.1015 -2.9559 -2.9559 -0.0664 -0.0664 -0.0459 -0.0459 2.0242 2.0242 2.0288 2.0288 2.2199 2.2199 2.2280 2.2280 3.3612 3.3612 3.3995 3.3995 9.1174 9.1174 9.1193 9.1193 10.8006 10.8006 10.8029 10.8029 12.8347 12.8347 12.8535 12.8535 k = 0.1867-0.3046 0.3006 ( 3672 PWs) bands (ev): -18.1813 -18.1813 -18.1813 -18.1813 -13.9856 -13.9856 -13.9847 -13.9847 -5.0295 -5.0295 -4.9810 -4.9810 -3.3410 -3.3410 -3.2855 -3.2855 -3.0911 -3.0911 -2.9483 -2.9483 -0.0771 -0.0771 -0.0565 -0.0565 2.0326 2.0326 2.0327 2.0327 2.2203 2.2203 2.2239 2.2239 3.3398 3.3398 3.3773 3.3773 9.1118 9.1118 9.1139 9.1139 10.7633 10.7633 10.7659 10.7659 12.8259 12.8259 12.8424 12.8424 k = 0.1798-0.2933 0.3006 ( 3674 PWs) bands (ev): -18.1844 -18.1844 -18.1844 -18.1844 -13.9840 -13.9840 -13.9831 -13.9831 -5.0197 -5.0197 -4.9716 -4.9716 -3.3227 -3.3227 -3.2701 -3.2701 -3.0793 -3.0793 -2.9402 -2.9402 -0.0889 -0.0889 -0.0685 -0.0685 2.0368 2.0368 2.0414 2.0414 2.2197 2.2197 2.2211 2.2211 3.3178 3.3178 3.3545 3.3545 9.1089 9.1089 9.1112 9.1112 10.7205 10.7205 10.7235 10.7235 12.8096 12.8096 12.8230 12.8230 k = 0.1728-0.2821 0.3006 ( 3684 PWs) bands (ev): -18.1876 -18.1876 -18.1876 -18.1876 -13.9824 -13.9824 -13.9815 -13.9815 -5.0097 -5.0097 -4.9621 -4.9621 -3.3038 -3.3038 -3.2549 -3.2549 -3.0662 -3.0662 -2.9318 -2.9318 -0.1016 -0.1016 -0.0815 -0.0815 2.0408 2.0408 2.0502 2.0502 2.2155 2.2155 2.2221 2.2221 3.2958 3.2958 3.3314 3.3314 9.1088 9.1088 9.1113 9.1113 10.6732 10.6732 10.6765 10.6765 12.7840 12.7840 12.7935 12.7935 k = 0.1659-0.2708 0.3006 ( 3680 PWs) bands (ev): -18.1907 -18.1907 -18.1907 -18.1907 -13.9808 -13.9808 -13.9799 -13.9799 -4.9996 -4.9996 -4.9527 -4.9527 -3.2846 -3.2846 -3.2400 -3.2400 -3.0517 -3.0517 -2.9229 -2.9229 -0.1151 -0.1151 -0.0953 -0.0953 2.0443 2.0443 2.0586 2.0586 2.2110 2.2110 2.2231 2.2231 3.2742 3.2742 3.3086 3.3086 9.1115 9.1115 9.1142 9.1142 10.6223 10.6223 10.6260 10.6260 12.7486 12.7486 12.7540 12.7540 k = 0.1590-0.2595 0.3006 ( 3676 PWs) bands (ev): -18.1939 -18.1939 -18.1939 -18.1939 -13.9792 -13.9792 -13.9784 -13.9784 -4.9895 -4.9895 -4.9433 -4.9433 -3.2650 -3.2650 -3.2254 -3.2254 -3.0360 -3.0360 -2.9137 -2.9137 -0.1290 -0.1290 -0.1099 -0.1099 2.0471 2.0471 2.0664 2.0664 2.2061 2.2061 2.2240 2.2240 3.2535 3.2535 3.2866 3.2866 9.1167 9.1167 9.1196 9.1196 10.5685 10.5685 10.5726 10.5726 12.7042 12.7042 12.7059 12.7059 k = 0.1521-0.2482 0.3006 ( 3678 PWs) bands (ev): -18.1971 -18.1971 -18.1971 -18.1971 -13.9776 -13.9776 -13.9768 -13.9768 -4.9793 -4.9793 -4.9339 -4.9339 -3.2452 -3.2452 -3.2111 -3.2111 -3.0192 -3.0192 -2.9042 -2.9042 -0.1433 -0.1433 -0.1249 -0.1249 2.0488 2.0488 2.0731 2.0731 2.2007 2.2007 2.2244 2.2244 3.2342 3.2342 3.2657 3.2657 9.1245 9.1245 9.1277 9.1277 10.5128 10.5128 10.5172 10.5172 12.6513 12.6513 12.6526 12.6526 k = 0.1452-0.2369 0.3006 ( 3682 PWs) bands (ev): -18.2002 -18.2002 -18.2002 -18.2002 -13.9761 -13.9761 -13.9753 -13.9753 -4.9691 -4.9691 -4.9247 -4.9247 -3.2253 -3.2253 -3.1972 -3.1972 -3.0015 -3.0015 -2.8945 -2.8945 -0.1577 -0.1577 -0.1401 -0.1401 2.0494 2.0494 2.0784 2.0784 2.1945 2.1945 2.2241 2.2241 3.2166 3.2166 3.2464 3.2464 9.1348 9.1348 9.1382 9.1382 10.4556 10.4556 10.4605 10.4605 12.5920 12.5920 12.5957 12.5957 k = 0.1383-0.2256 0.3006 ( 3678 PWs) bands (ev): -18.2033 -18.2033 -18.2033 -18.2033 -13.9745 -13.9745 -13.9738 -13.9738 -4.9590 -4.9590 -4.9156 -4.9156 -3.2054 -3.2054 -3.1835 -3.1835 -2.9830 -2.9830 -2.8845 -2.8845 -0.1720 -0.1720 -0.1553 -0.1553 2.0486 2.0486 2.0820 2.0820 2.1875 2.1875 2.2228 2.2228 3.2012 3.2012 3.2293 3.2293 9.1474 9.1474 9.1511 9.1511 10.3978 10.3978 10.4031 10.4031 12.5298 12.5298 12.5351 12.5351 k = 0.1314-0.2144 0.3006 ( 3682 PWs) bands (ev): -18.2064 -18.2064 -18.2064 -18.2064 -13.9730 -13.9730 -13.9723 -13.9723 -4.9489 -4.9489 -4.9067 -4.9067 -3.1856 -3.1856 -3.1701 -3.1701 -2.9641 -2.9641 -2.8743 -2.8743 -0.1860 -0.1860 -0.1704 -0.1704 2.0464 2.0464 2.0837 2.0837 2.1798 2.1798 2.2201 2.2201 3.1884 3.1884 3.2146 3.2146 9.1622 9.1622 9.1662 9.1662 10.3399 10.3399 10.3456 10.3456 12.4656 12.4656 12.4721 12.4721 k = 0.1244-0.2031 0.3006 ( 3680 PWs) bands (ev): -18.2094 -18.2094 -18.2094 -18.2094 -13.9715 -13.9715 -13.9708 -13.9708 -4.9390 -4.9390 -4.8981 -4.8981 -3.1660 -3.1660 -3.1569 -3.1569 -2.9448 -2.9448 -2.8641 -2.8641 -0.1996 -0.1996 -0.1851 -0.1851 2.0425 2.0425 2.0829 2.0829 2.1714 2.1714 2.2161 2.2161 3.1785 3.1785 3.2026 3.2026 9.1791 9.1791 9.1834 9.1834 10.2824 10.2824 10.2885 10.2885 12.4004 12.4004 12.4077 12.4077 k = 0.1175-0.1918 0.3006 ( 3678 PWs) bands (ev): -18.2123 -18.2123 -18.2123 -18.2123 -13.9701 -13.9701 -13.9694 -13.9694 -4.9292 -4.9292 -4.8897 -4.8897 -3.1469 -3.1469 -3.1439 -3.1439 -2.9254 -2.9254 -2.8537 -2.8537 -0.2125 -0.2125 -0.1993 -0.1993 2.0368 2.0368 2.0791 2.0791 2.1630 2.1630 2.2108 2.2108 3.1715 3.1715 3.1936 3.1936 9.1978 9.1978 9.2026 9.2026 10.2257 10.2257 10.2323 10.2323 12.3349 12.3349 12.3428 12.3428 k = 0.1106-0.1805 0.3006 ( 3676 PWs) bands (ev): -18.2151 -18.2151 -18.2151 -18.2151 -13.9687 -13.9687 -13.9681 -13.9681 -4.9197 -4.9197 -4.8817 -4.8817 -3.1311 -3.1311 -3.1282 -3.1282 -2.9062 -2.9062 -2.8434 -2.8434 -0.2248 -0.2248 -0.2128 -0.2128 2.0293 2.0293 2.0716 2.0716 2.1552 2.1552 2.2043 2.2043 3.1674 3.1674 3.1876 3.1876 9.2183 9.2183 9.2234 9.2234 10.1704 10.1704 10.1774 10.1774 12.2697 12.2697 12.2778 12.2778 k = 0.1037-0.1692 0.3006 ( 3678 PWs) bands (ev): -18.2178 -18.2178 -18.2178 -18.2178 -13.9674 -13.9674 -13.9668 -13.9668 -4.9103 -4.9103 -4.8740 -4.8740 -3.1185 -3.1185 -3.1102 -3.1102 -2.8873 -2.8873 -2.8332 -2.8332 -0.2362 -0.2362 -0.2255 -0.2255 2.0196 2.0196 2.0600 2.0600 2.1487 2.1487 2.1968 2.1968 3.1662 3.1662 3.1845 3.1845 9.2403 9.2403 9.2458 9.2458 10.1166 10.1166 10.1241 10.1241 12.2052 12.2052 12.2134 12.2134 k = 0.0968-0.1579 0.3006 ( 3676 PWs) bands (ev): -18.2204 -18.2204 -18.2204 -18.2204 -13.9661 -13.9661 -13.9655 -13.9655 -4.9013 -4.9013 -4.8667 -4.8667 -3.1062 -3.1062 -3.0930 -3.0930 -2.8689 -2.8689 -2.8231 -2.8231 -0.2466 -0.2466 -0.2372 -0.2372 2.0078 2.0078 2.0445 2.0445 2.1435 2.1435 2.1889 2.1889 3.1676 3.1676 3.1840 3.1840 9.2635 9.2635 9.2694 9.2694 10.0649 10.0649 10.0728 10.0728 12.1419 12.1419 12.1501 12.1501 k = 0.0899-0.1467 0.3006 ( 3672 PWs) bands (ev): -18.2229 -18.2229 -18.2229 -18.2229 -13.9649 -13.9649 -13.9643 -13.9643 -4.8926 -4.8926 -4.8599 -4.8599 -3.0940 -3.0940 -3.0766 -3.0766 -2.8512 -2.8512 -2.8133 -2.8133 -0.2561 -0.2561 -0.2479 -0.2479 1.9938 1.9938 2.0258 2.0258 2.1397 2.1397 2.1810 2.1810 3.1712 3.1712 3.1859 3.1859 9.2876 9.2876 9.2940 9.2940 10.0154 10.0154 10.0238 10.0238 12.0802 12.0802 12.0882 12.0882 k = 0.0830-0.1354 0.3006 ( 3666 PWs) bands (ev): -18.2253 -18.2253 -18.2253 -18.2253 -13.9637 -13.9637 -13.9632 -13.9632 -4.8842 -4.8842 -4.8535 -4.8535 -3.0821 -3.0821 -3.0613 -3.0613 -2.8344 -2.8344 -2.8037 -2.8037 -0.2645 -0.2645 -0.2576 -0.2576 1.9779 1.9779 2.0047 2.0047 2.1368 2.1368 2.1734 2.1734 3.1768 3.1768 3.1898 3.1898 9.3125 9.3125 9.3194 9.3194 9.9685 9.9685 9.9774 9.9774 12.0204 12.0204 12.0282 12.0282 k = 0.0761-0.1241 0.3006 ( 3670 PWs) bands (ev): -18.2275 -18.2275 -18.2275 -18.2275 -13.9627 -13.9627 -13.9622 -13.9622 -4.8762 -4.8762 -4.8477 -4.8477 -3.0704 -3.0704 -3.0470 -3.0470 -2.8186 -2.8186 -2.7945 -2.7945 -0.2719 -0.2719 -0.2661 -0.2661 1.9602 1.9602 1.9820 1.9820 2.1346 2.1346 2.1663 2.1663 3.1838 3.1838 3.1953 3.1953 9.3377 9.3377 9.3452 9.3452 9.9243 9.9243 9.9338 9.9338 11.9631 11.9631 11.9706 11.9706 k = 0.0691-0.1128 0.3006 ( 3670 PWs) bands (ev): -18.2295 -18.2295 -18.2295 -18.2295 -13.9617 -13.9617 -13.9612 -13.9612 -4.8687 -4.8687 -4.8424 -4.8424 -3.0592 -3.0592 -3.0340 -3.0340 -2.8040 -2.8040 -2.7856 -2.7856 -0.2783 -0.2783 -0.2736 -0.2736 1.9414 1.9414 1.9585 1.9585 2.1329 2.1329 2.1600 2.1600 3.1918 3.1918 3.2019 3.2019 9.3630 9.3630 9.3710 9.3710 9.8832 9.8832 9.8931 9.8931 11.9087 11.9087 11.9157 11.9157 k = 0.0622-0.1015 0.3006 ( 3674 PWs) bands (ev): -18.2314 -18.2314 -18.2314 -18.2314 -13.9607 -13.9607 -13.9604 -13.9604 -4.8616 -4.8616 -4.8376 -4.8376 -3.0483 -3.0483 -3.0223 -3.0223 -2.7907 -2.7907 -2.7773 -2.7773 -0.2837 -0.2837 -0.2800 -0.2800 1.9219 1.9219 1.9351 1.9351 2.1314 2.1314 2.1544 2.1544 3.2004 3.2004 3.2093 3.2093 9.3879 9.3879 9.3965 9.3965 9.8451 9.8451 9.8556 9.8556 11.8575 11.8575 11.8640 11.8640 k = 0.0553-0.0903 0.3006 ( 3672 PWs) bands (ev): -18.2331 -18.2331 -18.2331 -18.2331 -13.9599 -13.9599 -13.9596 -13.9596 -4.8550 -4.8550 -4.8334 -4.8334 -3.0380 -3.0380 -3.0120 -3.0120 -2.7788 -2.7788 -2.7695 -2.7695 -0.2882 -0.2882 -0.2853 -0.2853 1.9023 1.9023 1.9122 1.9122 2.1303 2.1303 2.1495 2.1495 3.2093 3.2093 3.2170 3.2170 9.4121 9.4121 9.4212 9.4212 9.8104 9.8104 9.8213 9.8213 11.8099 11.8099 11.8159 11.8159 k = 0.0484-0.0790 0.3006 ( 3668 PWs) bands (ev): -18.2346 -18.2346 -18.2346 -18.2346 -13.9592 -13.9592 -13.9589 -13.9589 -4.8490 -4.8490 -4.8299 -4.8299 -3.0282 -3.0282 -3.0032 -3.0032 -2.7682 -2.7682 -2.7624 -2.7624 -0.2918 -0.2918 -0.2897 -0.2897 1.8834 1.8834 1.8907 1.8907 2.1294 2.1294 2.1453 2.1453 3.2181 3.2181 3.2246 3.2246 9.4352 9.4352 9.4449 9.4449 9.7792 9.7792 9.7905 9.7905 11.7666 11.7666 11.7720 11.7720 k = 0.0415-0.0677 0.3006 ( 3672 PWs) bands (ev): -18.2360 -18.2360 -18.2360 -18.2360 -13.9585 -13.9585 -13.9582 -13.9582 -4.8434 -4.8434 -4.8270 -4.8270 -3.0191 -3.0191 -2.9958 -2.9958 -2.7592 -2.7592 -2.7559 -2.7559 -0.2947 -0.2947 -0.2932 -0.2932 1.8656 1.8656 1.8708 1.8708 2.1287 2.1287 2.1416 2.1416 3.2263 3.2263 3.2318 3.2318 9.4569 9.4569 9.4669 9.4669 9.7516 9.7516 9.7630 9.7630 11.7279 11.7279 11.7326 11.7326 k = 0.0346-0.0564 0.3006 ( 3670 PWs) bands (ev): -18.2371 -18.2371 -18.2371 -18.2371 -13.9579 -13.9579 -13.9577 -13.9577 -4.8385 -4.8385 -4.8247 -4.8247 -3.0107 -3.0107 -2.9900 -2.9900 -2.7516 -2.7516 -2.7502 -2.7502 -0.2969 -0.2969 -0.2959 -0.2959 1.8496 1.8496 1.8532 1.8532 2.1283 2.1283 2.1386 2.1386 3.2339 3.2339 3.2384 3.2384 9.4767 9.4767 9.4868 9.4868 9.7277 9.7277 9.7390 9.7390 11.6942 11.6942 11.6982 11.6982 k = 0.0277-0.0451 0.3006 ( 3668 PWs) bands (ev): -18.2381 -18.2381 -18.2381 -18.2381 -13.9575 -13.9575 -13.9573 -13.9573 -4.8342 -4.8342 -4.8230 -4.8230 -3.0033 -3.0033 -2.9858 -2.9858 -2.7456 -2.7456 -2.7453 -2.7453 -0.2986 -0.2986 -0.2979 -0.2979 1.8358 1.8358 1.8382 1.8382 2.1281 2.1281 2.1360 2.1360 3.2405 3.2405 3.2440 3.2440 9.4943 9.4943 9.5041 9.5041 9.7077 9.7077 9.7186 9.7186 11.6661 11.6661 11.6693 11.6693 k = 0.0207-0.0338 0.3006 ( 3670 PWs) bands (ev): -18.2388 -18.2388 -18.2388 -18.2388 -13.9571 -13.9571 -13.9570 -13.9570 -4.8305 -4.8305 -4.8221 -4.8221 -2.9967 -2.9967 -2.9831 -2.9831 -2.7413 -2.7413 -2.7410 -2.7410 -0.2998 -0.2998 -0.2994 -0.2994 1.8246 1.8246 1.8261 1.8261 2.1280 2.1280 2.1338 2.1338 3.2459 3.2459 3.2485 3.2485 9.5094 9.5094 9.5182 9.5182 9.6921 9.6921 9.7016 9.7016 11.6438 11.6438 11.6463 11.6463 k = 0.0138-0.0226 0.3006 ( 3666 PWs) bands (ev): -18.2393 -18.2393 -18.2393 -18.2393 -13.9568 -13.9568 -13.9567 -13.9567 -4.8274 -4.8274 -4.8218 -4.8218 -2.9913 -2.9913 -2.9819 -2.9819 -2.7383 -2.7383 -2.7378 -2.7378 -0.3006 -0.3006 -0.3003 -0.3003 1.8165 1.8165 1.8173 1.8173 2.1283 2.1283 2.1321 2.1321 3.2500 3.2500 3.2517 3.2517 9.5215 9.5215 9.5283 9.5283 9.6811 9.6811 9.6884 9.6884 11.6278 11.6278 11.6294 11.6294 k = 0.0069-0.0113 0.3006 ( 3664 PWs) bands (ev): -18.2397 -18.2397 -18.2397 -18.2397 -13.9567 -13.9567 -13.9566 -13.9566 -4.8250 -4.8250 -4.8222 -4.8222 -2.9870 -2.9870 -2.9822 -2.9822 -2.7364 -2.7364 -2.7361 -2.7361 -0.3010 -0.3010 -0.3009 -0.3009 1.8115 1.8115 1.8119 1.8119 2.1288 2.1288 2.1307 2.1307 3.2527 3.2527 3.2535 3.2535 9.5300 9.5300 9.5338 9.5338 9.6752 9.6752 9.6793 9.6793 11.6182 11.6182 11.6190 11.6190 k = 0.0000 0.0000 0.3006 ( 3666 PWs) bands (ev): -18.2398 -18.2398 -18.2398 -18.2398 -13.9566 -13.9566 -13.9566 -13.9566 -4.8233 -4.8233 -4.8233 -4.8233 -2.9839 -2.9839 -2.9839 -2.9839 -2.7356 -2.7356 -2.7356 -2.7356 -0.3011 -0.3011 -0.3011 -0.3011 1.8099 1.8099 1.8100 1.8100 2.1296 2.1296 2.1296 2.1296 3.2538 3.2538 3.2538 3.2538 9.5342 9.5342 9.5343 9.5343 9.6747 9.6747 9.6747 9.6747 11.6153 11.6153 11.6153 11.6153 k = 0.0000 0.0000 0.3006 ( 3666 PWs) bands (ev): -18.2398 -18.2398 -18.2398 -18.2398 -13.9566 -13.9566 -13.9566 -13.9566 -4.8233 -4.8233 -4.8233 -4.8233 -2.9839 -2.9839 -2.9839 -2.9839 -2.7356 -2.7356 -2.7356 -2.7356 -0.3011 -0.3011 -0.3011 -0.3011 1.8099 1.8099 1.8100 1.8100 2.1296 2.1296 2.1296 2.1296 3.2538 3.2538 3.2538 3.2538 9.5342 9.5342 9.5343 9.5343 9.6747 9.6747 9.6747 9.6747 11.6153 11.6153 11.6153 11.6153 k = 0.0114 0.0070 0.3006 ( 3667 PWs) bands (ev): -18.2401 -18.2401 -18.2391 -18.2391 -13.9580 -13.9580 -13.9553 -13.9553 -4.8263 -4.8263 -4.8209 -4.8209 -2.9896 -2.9896 -2.9795 -2.9795 -2.7385 -2.7385 -2.7337 -2.7337 -0.3074 -0.3074 -0.2946 -0.2946 1.8093 1.8093 1.8117 1.8117 2.0947 2.0947 2.1661 2.1661 3.2441 3.2441 3.2632 3.2632 9.5142 9.5142 9.5454 9.5454 9.6222 9.6222 9.7369 9.7369 11.5886 11.5886 11.6475 11.6475 k = 0.0228 0.0140 0.3006 ( 3669 PWs) bands (ev): -18.2402 -18.2402 -18.2382 -18.2382 -13.9596 -13.9596 -13.9541 -13.9541 -4.8301 -4.8301 -4.8193 -4.8193 -2.9965 -2.9965 -2.9765 -2.9765 -2.7424 -2.7424 -2.7330 -2.7330 -0.3135 -0.3135 -0.2880 -0.2880 1.8098 1.8098 1.8143 1.8143 2.0620 2.0620 2.2037 2.2037 3.2339 3.2339 3.2722 3.2722 9.4746 9.4746 9.5541 9.5541 9.5904 9.5904 9.8022 9.8022 11.5678 11.5678 11.6851 11.6851 k = 0.0342 0.0209 0.3006 ( 3668 PWs) bands (ev): -18.2401 -18.2401 -18.2371 -18.2371 -13.9612 -13.9612 -13.9532 -13.9532 -4.8345 -4.8345 -4.8184 -4.8184 -3.0045 -3.0045 -2.9748 -2.9748 -2.7472 -2.7472 -2.7335 -2.7335 -0.3194 -0.3194 -0.2812 -0.2812 1.8115 1.8115 1.8173 1.8173 2.0324 2.0324 2.2418 2.2418 3.2233 3.2233 3.2808 3.2808 9.4173 9.4173 9.5623 9.5623 9.5781 9.5781 9.8680 9.8680 11.5528 11.5528 11.7280 11.7280 k = 0.0456 0.0279 0.3006 ( 3669 PWs) bands (ev): -18.2396 -18.2396 -18.2356 -18.2356 -13.9630 -13.9630 -13.9524 -13.9524 -4.8394 -4.8394 -4.8183 -4.8183 -3.0136 -3.0136 -2.9746 -2.9746 -2.7528 -2.7528 -2.7352 -2.7352 -0.3250 -0.3250 -0.2743 -0.2743 1.8144 1.8144 1.8202 1.8202 2.0069 2.0069 2.2799 2.2799 3.2124 3.2124 3.2890 3.2890 9.3520 9.3520 9.5698 9.5698 9.5765 9.5765 9.9333 9.9333 11.5439 11.5439 11.7760 11.7760 k = 0.0570 0.0349 0.3006 ( 3673 PWs) bands (ev): -18.2389 -18.2389 -18.2340 -18.2340 -13.9648 -13.9648 -13.9518 -13.9518 -4.8449 -4.8449 -4.8190 -4.8190 -3.0235 -3.0235 -2.9759 -2.9759 -2.7593 -2.7593 -2.7383 -2.7383 -0.3302 -0.3302 -0.2674 -0.2674 1.8174 1.8174 1.8228 1.8228 1.9867 1.9867 2.3177 2.3177 3.2011 3.2011 3.2970 3.2970 9.2838 9.2838 9.5749 9.5749 9.5832 9.5832 9.9973 9.9973 11.5411 11.5411 11.8290 11.8290 k = 0.0684 0.0419 0.3006 ( 3677 PWs) bands (ev): -18.2380 -18.2380 -18.2321 -18.2321 -13.9667 -13.9667 -13.9514 -13.9514 -4.8509 -4.8509 -4.8205 -4.8205 -3.0343 -3.0343 -2.9787 -2.9787 -2.7666 -2.7666 -2.7426 -2.7426 -0.3352 -0.3352 -0.2604 -0.2604 1.8176 1.8176 1.8270 1.8270 1.9733 1.9733 2.3547 2.3547 3.1894 3.1894 3.3048 3.3048 9.2145 9.2145 9.5809 9.5809 9.5934 9.5934 10.0596 10.0596 11.5446 11.5446 11.8866 11.8866 k = 0.0798 0.0489 0.3006 ( 3678 PWs) bands (ev): -18.2368 -18.2368 -18.2299 -18.2299 -13.9687 -13.9687 -13.9512 -13.9512 -4.8574 -4.8574 -4.8228 -4.8228 -3.0457 -3.0457 -2.9828 -2.9828 -2.7749 -2.7749 -2.7482 -2.7482 -0.3399 -0.3399 -0.2535 -0.2535 1.8135 1.8135 1.8334 1.8334 1.9674 1.9674 2.3904 2.3904 3.1774 3.1774 3.3125 3.3125 9.1449 9.1449 9.5893 9.5893 9.6051 9.6051 10.1198 10.1198 11.5543 11.5543 11.9488 11.9488 k = 0.0912 0.0559 0.3006 ( 3677 PWs) bands (ev): -18.2353 -18.2353 -18.2276 -18.2276 -13.9707 -13.9707 -13.9513 -13.9513 -4.8642 -4.8642 -4.8259 -4.8259 -3.0577 -3.0577 -2.9884 -2.9884 -2.7842 -2.7842 -2.7548 -2.7548 -0.3442 -0.3442 -0.2466 -0.2466 1.8063 1.8063 1.8414 1.8414 1.9690 1.9690 2.4244 2.4244 3.1651 3.1651 3.3201 3.3201 9.0754 9.0754 9.6003 9.6003 9.6181 9.6181 10.1775 10.1775 11.5705 11.5705 12.0153 12.0153 k = 0.1026 0.0628 0.3006 ( 3683 PWs) bands (ev): -18.2336 -18.2336 -18.2250 -18.2250 -13.9727 -13.9727 -13.9515 -13.9515 -4.8714 -4.8714 -4.8298 -4.8298 -3.0701 -3.0701 -2.9952 -2.9952 -2.7948 -2.7948 -2.7623 -2.7623 -0.3482 -0.3482 -0.2399 -0.2399 1.7975 1.7975 1.8504 1.8504 1.9768 1.9768 2.4563 2.4563 3.1526 3.1526 3.3278 3.3278 9.0064 9.0064 9.6138 9.6138 9.6324 9.6324 10.2323 10.2323 11.5930 11.5930 12.0861 12.0861 k = 0.1139 0.0698 0.3006 ( 3680 PWs) bands (ev): -18.2317 -18.2317 -18.2222 -18.2222 -13.9746 -13.9746 -13.9520 -13.9520 -4.8790 -4.8790 -4.8345 -4.8345 -3.0828 -3.0828 -3.0032 -3.0032 -2.8070 -2.8070 -2.7704 -2.7704 -0.3518 -0.3518 -0.2332 -0.2332 1.7886 1.7886 1.8605 1.8605 1.9894 1.9894 2.4858 2.4858 3.1400 3.1400 3.3357 3.3357 8.9381 8.9381 9.6298 9.6298 9.6481 9.6481 10.2838 10.2838 11.6217 11.6217 12.1608 12.1608 k = 0.1253 0.0768 0.3006 ( 3681 PWs) bands (ev): -18.2296 -18.2296 -18.2192 -18.2192 -13.9766 -13.9766 -13.9528 -13.9528 -4.8868 -4.8868 -4.8399 -4.8399 -3.0958 -3.0958 -3.0124 -3.0124 -2.8208 -2.8208 -2.7789 -2.7789 -0.3551 -0.3551 -0.2267 -0.2267 1.7808 1.7808 1.8714 1.8714 2.0057 2.0057 2.5125 2.5125 3.1272 3.1272 3.3439 3.3439 8.8707 8.8707 9.6484 9.6484 9.6651 9.6651 10.3318 10.3318 11.6565 11.6565 12.2393 12.2393 k = 0.1367 0.0838 0.3006 ( 3683 PWs) bands (ev): -18.2272 -18.2272 -18.2161 -18.2161 -13.9786 -13.9786 -13.9537 -13.9537 -4.8948 -4.8948 -4.8461 -4.8461 -3.1088 -3.1088 -3.0225 -3.0225 -2.8365 -2.8365 -2.7876 -2.7876 -0.3581 -0.3581 -0.2203 -0.2203 1.7750 1.7750 1.8830 1.8830 2.0246 2.0246 2.5360 2.5360 3.1143 3.1143 3.3525 3.3525 8.8043 8.8043 9.6695 9.6695 9.6838 9.6838 10.3758 10.3758 11.6972 11.6972 12.3213 12.3213 k = 0.1481 0.0908 0.3006 ( 3678 PWs) bands (ev): -18.2247 -18.2247 -18.2127 -18.2127 -13.9805 -13.9805 -13.9549 -13.9549 -4.9030 -4.9030 -4.8530 -4.8530 -3.1219 -3.1219 -3.0335 -3.0335 -2.8540 -2.8540 -2.7964 -2.7964 -0.3607 -0.3607 -0.2141 -0.2141 1.7718 1.7718 1.8953 1.8953 2.0457 2.0457 2.5560 2.5560 3.1015 3.1015 3.3616 3.3616 8.7392 8.7392 9.6929 9.6929 9.7042 9.7042 10.4158 10.4158 11.7433 11.7433 12.4066 12.4066 k = 0.1595 0.0978 0.3006 ( 3675 PWs) bands (ev): -18.2220 -18.2220 -18.2093 -18.2093 -13.9823 -13.9823 -13.9564 -13.9564 -4.9114 -4.9114 -4.8604 -4.8604 -3.1349 -3.1349 -3.0453 -3.0453 -2.8734 -2.8734 -2.8052 -2.8052 -0.3631 -0.3631 -0.2082 -0.2082 1.7714 1.7714 1.9081 1.9081 2.0685 2.0685 2.5723 2.5723 3.0887 3.0887 3.3714 3.3714 8.6754 8.6754 9.7183 9.7183 9.7268 9.7268 10.4515 10.4515 11.7945 11.7945 12.4946 12.4946 k = 0.1709 0.1047 0.3006 ( 3680 PWs) bands (ev): -18.2191 -18.2191 -18.2057 -18.2057 -13.9841 -13.9841 -13.9581 -13.9581 -4.9199 -4.9199 -4.8684 -4.8684 -3.1477 -3.1477 -3.0578 -3.0578 -2.8945 -2.8945 -2.8141 -2.8141 -0.3651 -0.3651 -0.2024 -0.2024 1.7739 1.7739 1.9212 1.9212 2.0926 2.0926 2.5847 2.5847 3.0760 3.0760 3.3818 3.3818 8.6131 8.6131 9.7446 9.7446 9.7528 9.7528 10.4826 10.4826 11.8499 11.8499 12.5816 12.5816 k = 0.1823 0.1117 0.3006 ( 3678 PWs) bands (ev): -18.2160 -18.2160 -18.2019 -18.2019 -13.9858 -13.9858 -13.9600 -13.9600 -4.9286 -4.9286 -4.8769 -4.8769 -3.1602 -3.1602 -3.0709 -3.0709 -2.9172 -2.9172 -2.8229 -2.8229 -0.3668 -0.3668 -0.1969 -0.1969 1.7795 1.7795 1.9346 1.9346 2.1177 2.1177 2.5931 2.5931 3.0636 3.0636 3.3930 3.3930 8.5525 8.5525 9.7711 9.7711 9.7830 9.7830 10.5092 10.5092 11.9090 11.9090 12.6194 12.6194 k = 0.1937 0.1187 0.3006 ( 3678 PWs) bands (ev): -18.2129 -18.2129 -18.1981 -18.1981 -13.9874 -13.9874 -13.9621 -13.9621 -4.9375 -4.9375 -4.8858 -4.8858 -3.1725 -3.1725 -3.0844 -3.0844 -2.9412 -2.9412 -2.8317 -2.8317 -0.3682 -0.3682 -0.1917 -0.1917 1.7881 1.7881 1.9483 1.9483 2.1435 2.1435 2.5974 2.5974 3.0515 3.0515 3.4048 3.4048 8.4937 8.4937 9.7984 9.7984 9.8165 9.8165 10.5312 10.5312 11.9707 11.9707 12.6301 12.6301 k = 0.2051 0.1257 0.3006 ( 3672 PWs) bands (ev): -18.2096 -18.2096 -18.1942 -18.1942 -13.9889 -13.9889 -13.9645 -13.9645 -4.9466 -4.9466 -4.8949 -4.8949 -3.1845 -3.1845 -3.0983 -3.0983 -2.9664 -2.9664 -2.8404 -2.8404 -0.3693 -0.3693 -0.1866 -0.1866 1.7998 1.7998 1.9620 1.9620 2.1697 2.1697 2.5976 2.5976 3.0399 3.0399 3.4173 3.4173 8.4368 8.4368 9.8273 9.8273 9.8527 9.8527 10.5484 10.5484 12.0341 12.0341 12.6421 12.6421 k = 0.2165 0.1327 0.3006 ( 3668 PWs) bands (ev): -18.2062 -18.2062 -18.1902 -18.1902 -13.9903 -13.9903 -13.9670 -13.9670 -4.9560 -4.9560 -4.9041 -4.9041 -3.1961 -3.1961 -3.1125 -3.1125 -2.9925 -2.9925 -2.8490 -2.8490 -0.3702 -0.3702 -0.1819 -0.1819 1.8144 1.8144 1.9757 1.9757 2.1961 2.1961 2.5939 2.5939 3.0289 3.0289 3.4304 3.4304 8.3819 8.3819 9.8579 9.8579 9.8914 9.8914 10.5610 10.5610 12.0978 12.0978 12.6568 12.6568 k = 0.2279 0.1397 0.3006 ( 3666 PWs) bands (ev): -18.2028 -18.2028 -18.1862 -18.1862 -13.9916 -13.9916 -13.9697 -13.9697 -4.9657 -4.9657 -4.9132 -4.9132 -3.2074 -3.2074 -3.1270 -3.1270 -3.0193 -3.0193 -2.8575 -2.8575 -0.3707 -0.3707 -0.1773 -0.1773 1.8317 1.8317 1.9894 1.9894 2.2223 2.2223 2.5863 2.5863 3.0187 3.0187 3.4439 3.4439 8.3292 8.3292 9.8903 9.8903 9.9324 9.9324 10.5688 10.5688 12.1605 12.1605 12.6741 12.6741 k = 0.2393 0.1466 0.3006 ( 3674 PWs) bands (ev): -18.1993 -18.1993 -18.1821 -18.1821 -13.9928 -13.9928 -13.9727 -13.9727 -4.9759 -4.9759 -4.9220 -4.9220 -3.2184 -3.2184 -3.1416 -3.1416 -3.0463 -3.0463 -2.8657 -2.8657 -0.3711 -0.3711 -0.1731 -0.1731 1.8515 1.8515 2.0031 2.0031 2.2480 2.2480 2.5750 2.5750 3.0094 3.0094 3.4577 3.4577 8.2787 8.2787 9.9243 9.9243 9.9755 9.9755 10.5720 10.5720 12.2205 12.2205 12.6941 12.6941 k = 0.2507 0.1536 0.3006 ( 3674 PWs) bands (ev): -18.1958 -18.1958 -18.1780 -18.1780 -13.9939 -13.9939 -13.9757 -13.9757 -4.9865 -4.9865 -4.9305 -4.9305 -3.2293 -3.2293 -3.1564 -3.1564 -3.0732 -3.0732 -2.8738 -2.8738 -0.3712 -0.3712 -0.1690 -0.1690 1.8736 1.8736 2.0167 2.0167 2.2729 2.2729 2.5603 2.5603 3.0012 3.0012 3.4718 3.4718 8.2305 8.2305 9.9600 9.9600 10.0205 10.0205 10.5706 10.5706 12.2761 12.2761 12.7170 12.7170 k = 0.2621 0.1606 0.3006 ( 3674 PWs) bands (ev): -18.1922 -18.1922 -18.1739 -18.1739 -13.9949 -13.9949 -13.9789 -13.9789 -4.9978 -4.9978 -4.9384 -4.9384 -3.2404 -3.2404 -3.1714 -3.1714 -3.0995 -3.0995 -2.8815 -2.8815 -0.3710 -0.3710 -0.1652 -0.1652 1.8975 1.8975 2.0304 2.0304 2.2966 2.2966 2.5423 2.5423 2.9943 2.9943 3.4860 3.4860 8.1848 8.1848 9.9973 9.9973 10.0675 10.0675 10.5647 10.5647 12.3255 12.3255 12.7432 12.7432 k = 0.2735 0.1676 0.3006 ( 3679 PWs) bands (ev): -18.1887 -18.1887 -18.1698 -18.1698 -13.9957 -13.9957 -13.9823 -13.9823 -5.0096 -5.0096 -4.9456 -4.9456 -3.2520 -3.2520 -3.1865 -3.1865 -3.1245 -3.1245 -2.8888 -2.8888 -0.3706 -0.3706 -0.1617 -0.1617 1.9229 1.9229 2.0443 2.0443 2.3189 2.3189 2.5213 2.5213 2.9891 2.9891 3.5001 3.5001 8.1417 8.1417 10.0360 10.0360 10.1160 10.1160 10.5547 10.5547 12.3672 12.3672 12.7734 12.7734 k = 0.2849 0.1746 0.3006 ( 3677 PWs) bands (ev): -18.1852 -18.1852 -18.1657 -18.1657 -13.9964 -13.9964 -13.9857 -13.9857 -5.0219 -5.0219 -4.9521 -4.9521 -3.2648 -3.2648 -3.2016 -3.2016 -3.1474 -3.1474 -2.8957 -2.8957 -0.3699 -0.3699 -0.1583 -0.1583 1.9490 1.9490 2.0589 2.0589 2.3393 2.3393 2.4976 2.4976 2.9856 2.9856 3.5140 3.5140 8.1012 8.1012 10.0759 10.0759 10.1659 10.1659 10.5408 10.5408 12.4001 12.4001 12.8080 12.8080 k = 0.2963 0.1816 0.3006 ( 3678 PWs) bands (ev): -18.1818 -18.1818 -18.1617 -18.1617 -13.9970 -13.9970 -13.9891 -13.9891 -5.0348 -5.0348 -4.9579 -4.9579 -3.2796 -3.2796 -3.2163 -3.2163 -3.1675 -3.1675 -2.9020 -2.9020 -0.3691 -0.3691 -0.1552 -0.1552 1.9748 1.9748 2.0749 2.0749 2.3576 2.3576 2.4713 2.4713 2.9842 2.9842 3.5277 3.5277 8.0634 8.0634 10.1165 10.1165 10.2170 10.2170 10.5235 10.5235 12.4241 12.4241 12.8472 12.8472 k = 0.3077 0.1885 0.3006 ( 3678 PWs) bands (ev): -18.1784 -18.1784 -18.1578 -18.1578 -13.9974 -13.9974 -13.9927 -13.9927 -5.0480 -5.0480 -4.9629 -4.9629 -3.2970 -3.2970 -3.2303 -3.2303 -3.1844 -3.1844 -2.9078 -2.9078 -0.3680 -0.3680 -0.1522 -0.1522 1.9989 1.9989 2.0934 2.0934 2.3733 2.3733 2.4429 2.4429 2.9851 2.9851 3.5410 3.5410 8.0284 8.0284 10.1573 10.1573 10.2689 10.2689 10.5036 10.5036 12.4399 12.4399 12.8905 12.8905 k = 0.3191 0.1955 0.3006 ( 3676 PWs) bands (ev): -18.1752 -18.1752 -18.1539 -18.1539 -13.9978 -13.9978 -13.9962 -13.9962 -5.0615 -5.0615 -4.9673 -4.9673 -3.3172 -3.3172 -3.2432 -3.2432 -3.1981 -3.1981 -2.9129 -2.9129 -0.3667 -0.3667 -0.1495 -0.1495 2.0200 2.0200 2.1155 2.1155 2.3860 2.3860 2.4131 2.4131 2.9882 2.9882 3.5539 3.5539 7.9963 7.9963 10.1970 10.1970 10.3215 10.3215 10.4824 10.4824 12.4487 12.4487 12.9372 12.9372 k = 0.3305 0.2025 0.3006 ( 3674 PWs) bands (ev): -18.1721 -18.1721 -18.1501 -18.1501 -13.9998 -13.9998 -13.9979 -13.9979 -5.0752 -5.0752 -4.9709 -4.9709 -3.3396 -3.3396 -3.2551 -3.2551 -3.2087 -3.2087 -2.9173 -2.9173 -0.3652 -0.3652 -0.1469 -0.1469 2.0370 2.0370 2.1418 2.1418 2.3782 2.3782 2.3995 2.3995 2.9938 2.9938 3.5662 3.5662 7.9671 7.9671 10.2331 10.2331 10.3743 10.3743 10.4625 10.4625 12.4517 12.4517 12.9865 12.9865 k = 0.3418 0.2095 0.3006 ( 3675 PWs) bands (ev): -18.1691 -18.1691 -18.1464 -18.1464 -14.0033 -14.0033 -13.9981 -13.9981 -5.0889 -5.0889 -4.9739 -4.9739 -3.3633 -3.3633 -3.2664 -3.2664 -3.2167 -3.2167 -2.9209 -2.9209 -0.3634 -0.3634 -0.1445 -0.1445 2.0502 2.0502 2.1716 2.1716 2.3457 2.3457 2.4067 2.4067 3.0016 3.0016 3.5778 3.5778 7.9408 7.9408 10.2604 10.2604 10.4267 10.4267 10.4496 10.4496 12.4503 12.4503 13.0376 13.0376 k = 0.3532 0.2165 0.3006 ( 3676 PWs) bands (ev): -18.1663 -18.1663 -18.1429 -18.1429 -14.0067 -14.0067 -13.9981 -13.9981 -5.1027 -5.1027 -4.9762 -4.9762 -3.3876 -3.3876 -3.2773 -3.2773 -3.2225 -3.2225 -2.9237 -2.9237 -0.3614 -0.3614 -0.1422 -0.1422 2.0602 2.0602 2.2037 2.2037 2.3114 2.3114 2.4123 2.4123 3.0115 3.0115 3.5888 3.5888 7.9176 7.9176 10.2708 10.2708 10.4503 10.4503 10.4801 10.4801 12.4455 12.4455 13.0898 13.0898 k = 0.3646 0.2235 0.3006 ( 3671 PWs) bands (ev): -18.1637 -18.1637 -18.1394 -18.1394 -14.0101 -14.0101 -13.9981 -13.9981 -5.1163 -5.1163 -4.9778 -4.9778 -3.4119 -3.4119 -3.2879 -3.2879 -3.2263 -3.2263 -2.9256 -2.9256 -0.3593 -0.3593 -0.1401 -0.1401 2.0676 2.0676 2.2359 2.2359 2.2773 2.2773 2.4163 2.4163 3.0235 3.0235 3.5990 3.5990 7.8975 7.8975 10.2602 10.2602 10.4713 10.4713 10.5315 10.5315 12.4379 12.4379 13.1427 13.1427 k = 0.3760 0.2304 0.3006 ( 3662 PWs) bands (ev): -18.1614 -18.1614 -18.1362 -18.1362 -14.0133 -14.0133 -13.9979 -13.9979 -5.1297 -5.1297 -4.9789 -4.9789 -3.4359 -3.4359 -3.2980 -3.2980 -3.2286 -3.2286 -2.9266 -2.9266 -0.3568 -0.3568 -0.1381 -0.1381 2.0729 2.0729 2.2366 2.2366 2.2739 2.2739 2.4195 2.4195 3.0371 3.0371 3.6085 3.6085 7.8805 7.8805 10.2344 10.2344 10.5055 10.5055 10.5818 10.5818 12.4282 12.4282 13.1959 13.1959 k = 0.3874 0.2374 0.3006 ( 3662 PWs) bands (ev): -18.1592 -18.1592 -18.1330 -18.1330 -14.0164 -14.0164 -13.9977 -13.9977 -5.1428 -5.1428 -4.9793 -4.9793 -3.4591 -3.4591 -3.3076 -3.3076 -3.2296 -3.2296 -2.9266 -2.9266 -0.3542 -0.3542 -0.1363 -0.1363 2.0760 2.0760 2.2025 2.2025 2.3029 2.3029 2.4237 2.4237 3.0521 3.0521 3.6170 3.6170 7.8667 7.8667 10.2000 10.2000 10.5465 10.5465 10.6305 10.6305 12.4170 12.4170 13.2491 13.2491 k = 0.3988 0.2444 0.3006 ( 3660 PWs) bands (ev): -18.1573 -18.1573 -18.1301 -18.1301 -14.0193 -14.0193 -13.9975 -13.9975 -5.1555 -5.1555 -4.9792 -4.9792 -3.4814 -3.4814 -3.3168 -3.3168 -3.2295 -3.2295 -2.9257 -2.9257 -0.3514 -0.3514 -0.1345 -0.1345 2.0763 2.0763 2.1684 2.1684 2.3272 2.3272 2.4323 2.4323 3.0681 3.0681 3.6246 3.6246 7.8560 7.8560 10.1610 10.1610 10.5904 10.5904 10.6770 10.6770 12.4045 12.4045 13.3019 13.3019 k = 0.4102 0.2514 0.3006 ( 3664 PWs) bands (ev): -18.1557 -18.1557 -18.1273 -18.1273 -14.0220 -14.0220 -13.9972 -13.9972 -5.1677 -5.1677 -4.9785 -4.9785 -3.5026 -3.5026 -3.3253 -3.3253 -3.2285 -3.2285 -2.9239 -2.9239 -0.3484 -0.3484 -0.1329 -0.1329 2.0718 2.0718 2.1378 2.1378 2.3416 2.3416 2.4492 2.4492 3.0847 3.0847 3.6312 3.6312 7.8486 7.8486 10.1190 10.1190 10.6352 10.6352 10.7208 10.7208 12.3912 12.3912 13.3542 13.3542 k = 0.4216 0.2584 0.3006 ( 3662 PWs) bands (ev): -18.1543 -18.1543 -18.1247 -18.1247 -14.0245 -14.0245 -13.9968 -13.9968 -5.1794 -5.1794 -4.9772 -4.9772 -3.5226 -3.5226 -3.3332 -3.3332 -3.2266 -3.2266 -2.9211 -2.9211 -0.3451 -0.3451 -0.1314 -0.1314 2.0576 2.0576 2.1161 2.1161 2.3456 2.3456 2.4747 2.4747 3.1018 3.1018 3.6369 3.6369 7.8444 7.8444 10.0754 10.0754 10.6799 10.6799 10.7615 10.7615 12.3775 12.3775 13.4057 13.4057 k = 0.4330 0.2653 0.3006 ( 3659 PWs) bands (ev): -18.1533 -18.1533 -18.1223 -18.1223 -14.0267 -14.0267 -13.9965 -13.9965 -5.1904 -5.1904 -4.9754 -4.9754 -3.5412 -3.5412 -3.3404 -3.3404 -3.2239 -3.2239 -2.9174 -2.9174 -0.3417 -0.3417 -0.1300 -0.1300 2.0319 2.0319 2.1054 2.1054 2.3425 2.3425 2.5054 2.5054 3.1191 3.1191 3.6414 3.6414 7.8434 7.8434 10.0307 10.0307 10.7235 10.7235 10.7986 10.7986 12.3638 12.3638 13.4562 13.4562 k = 0.4444 0.2723 0.3006 ( 3659 PWs) bands (ev): -18.1525 -18.1525 -18.1201 -18.1201 -14.0286 -14.0286 -13.9961 -13.9961 -5.2007 -5.2007 -4.9731 -4.9731 -3.5584 -3.5584 -3.3469 -3.3469 -3.2205 -3.2205 -2.9128 -2.9128 -0.3380 -0.3380 -0.1287 -0.1287 2.0006 2.0006 2.1003 2.1003 2.3351 2.3351 2.5384 2.5384 3.1362 3.1362 3.6449 3.6449 7.8457 7.8457 9.9854 9.9854 10.7652 10.7652 10.8315 10.8315 12.3504 12.3504 13.5053 13.5053 k = 0.4558 0.2793 0.3006 ( 3663 PWs) bands (ev): -18.1521 -18.1521 -18.1181 -18.1181 -14.0303 -14.0303 -13.9957 -13.9957 -5.2102 -5.2102 -4.9703 -4.9703 -3.5740 -3.5740 -3.3526 -3.3526 -3.2165 -3.2165 -2.9074 -2.9074 -0.3342 -0.3342 -0.1276 -0.1276 1.9678 1.9678 2.0969 2.0969 2.3251 2.3251 2.5718 2.5718 3.1531 3.1531 3.6472 3.6472 7.8513 7.8513 9.9398 9.9398 10.8044 10.8044 10.8599 10.8599 12.3379 12.3379 13.5527 13.5527 k = 0.4672 0.2863 0.3006 ( 3659 PWs) bands (ev): -18.1520 -18.1520 -18.1163 -18.1163 -14.0316 -14.0316 -13.9954 -13.9954 -5.2189 -5.2189 -4.9670 -4.9670 -3.5881 -3.5881 -3.3575 -3.3575 -3.2119 -3.2119 -2.9012 -2.9012 -0.3302 -0.3302 -0.1266 -0.1266 1.9350 1.9350 2.0939 2.0939 2.3133 2.3133 2.6048 2.6048 3.1697 3.1697 3.6483 3.6483 7.8601 7.8601 9.8944 9.8944 10.8403 10.8403 10.8834 10.8834 12.3266 12.3266 13.5981 13.5981 k = 0.5000 0.3064-0.1556 ( 3682 PWs) bands (ev): -18.1614 -18.1614 -18.1043 -18.1043 -14.0409 -14.0409 -13.9873 -13.9873 -5.2948 -5.2948 -4.9043 -4.9043 -3.7078 -3.7078 -3.4078 -3.4078 -3.1251 -3.1251 -2.7183 -2.7183 -0.4188 -0.4188 -0.1547 -0.1547 1.6694 1.6694 2.1294 2.1294 2.4540 2.4540 2.8767 2.8767 2.9764 2.9764 3.6737 3.6737 7.6482 7.6482 10.3766 10.3766 10.9329 10.9329 11.0817 11.0817 11.7381 11.7381 13.6551 13.6551 k = 0.5068 0.2953-0.1556 ( 3678 PWs) bands (ev): -18.1614 -18.1614 -18.1043 -18.1043 -14.0409 -14.0409 -13.9873 -13.9873 -5.2945 -5.2945 -4.9048 -4.9048 -3.7074 -3.7074 -3.4075 -3.4075 -3.1260 -3.1260 -2.7195 -2.7195 -0.4176 -0.4176 -0.1535 -0.1535 1.6694 1.6694 2.1277 2.1277 2.4525 2.4525 2.8759 2.8759 2.9799 2.9799 3.6736 3.6736 7.6511 7.6511 10.3773 10.3773 10.9287 10.9287 11.0798 11.0798 11.7427 11.7427 13.6563 13.6563 k = 0.5136 0.2842-0.1556 ( 3678 PWs) bands (ev): -18.1613 -18.1613 -18.1044 -18.1044 -14.0407 -14.0407 -13.9874 -13.9874 -5.2937 -5.2937 -4.9061 -4.9061 -3.7063 -3.7063 -3.4065 -3.4065 -3.1287 -3.1287 -2.7231 -2.7231 -0.4139 -0.4139 -0.1499 -0.1499 1.6694 1.6694 2.1227 2.1227 2.4480 2.4480 2.8738 2.8738 2.9902 2.9902 3.6731 3.6731 7.6597 7.6597 10.3795 10.3795 10.9165 10.9165 11.0740 11.0740 11.7560 11.7560 13.6597 13.6597 k = 0.5204 0.2731-0.1556 ( 3674 PWs) bands (ev): -18.1612 -18.1612 -18.1044 -18.1044 -14.0405 -14.0405 -13.9876 -13.9876 -5.2924 -5.2924 -4.9084 -4.9084 -3.7044 -3.7044 -3.4049 -3.4049 -3.1332 -3.1332 -2.7290 -2.7290 -0.4078 -0.4078 -0.1441 -0.1441 1.6693 1.6693 2.1147 2.1147 2.4407 2.4407 2.8707 2.8707 3.0063 3.0063 3.6724 3.6724 7.6741 7.6741 10.3831 10.3831 10.8969 10.8969 11.0644 11.0644 11.7773 11.7773 13.6652 13.6652 k = 0.5272 0.2620-0.1556 ( 3676 PWs) bands (ev): -18.1610 -18.1610 -18.1045 -18.1045 -14.0402 -14.0402 -13.9879 -13.9879 -5.2906 -5.2906 -4.9116 -4.9116 -3.7019 -3.7019 -3.4026 -3.4026 -3.1394 -3.1394 -2.7371 -2.7371 -0.3994 -0.3994 -0.1361 -0.1361 1.6692 1.6692 2.1042 2.1042 2.4309 2.4309 2.8670 2.8670 3.0272 3.0272 3.6712 3.6712 7.6942 7.6942 10.3878 10.3878 10.8710 10.8710 11.0515 11.0515 11.8056 11.8056 13.6722 13.6722 k = 0.5340 0.2510-0.1556 ( 3676 PWs) bands (ev): -18.1608 -18.1608 -18.1047 -18.1047 -14.0398 -14.0398 -13.9882 -13.9882 -5.2883 -5.2883 -4.9157 -4.9157 -3.6986 -3.6986 -3.3997 -3.3997 -3.1473 -3.1473 -2.7472 -2.7472 -0.3890 -0.3890 -0.1263 -0.1263 1.6690 1.6690 2.0920 2.0920 2.4191 2.4191 2.8628 2.8628 3.0520 3.0520 3.6696 3.6696 7.7199 7.7199 10.3935 10.3935 10.8400 10.8400 11.0354 11.0354 11.8397 11.8397 13.6795 13.6795 k = 0.5408 0.2399-0.1556 ( 3676 PWs) bands (ev): -18.1605 -18.1605 -18.1048 -18.1048 -14.0393 -14.0393 -13.9886 -13.9886 -5.2854 -5.2854 -4.9205 -4.9205 -3.6946 -3.6946 -3.3961 -3.3961 -3.1568 -3.1568 -2.7591 -2.7591 -0.3766 -0.3766 -0.1149 -0.1149 1.6687 1.6687 2.0786 2.0786 2.4055 2.4055 2.8583 2.8583 3.0798 3.0798 3.6673 3.6673 7.7512 7.7512 10.3998 10.3998 10.8049 10.8049 11.0167 11.0167 11.8786 11.8786 13.6831 13.6831 k = 0.5476 0.2288-0.1556 ( 3674 PWs) bands (ev): -18.1601 -18.1601 -18.1050 -18.1050 -14.0387 -14.0387 -13.9891 -13.9891 -5.2821 -5.2821 -4.9262 -4.9262 -3.6900 -3.6900 -3.3920 -3.3920 -3.1678 -3.1678 -2.7724 -2.7724 -0.3626 -0.3626 -0.1021 -0.1021 1.6685 1.6685 2.0648 2.0648 2.3904 2.3904 2.8536 2.8536 3.1099 3.1099 3.6643 3.6643 7.7880 7.7880 10.4063 10.4063 10.7665 10.7665 10.9960 10.9960 11.9211 11.9211 13.6718 13.6718 k = 0.5544 0.2177-0.1556 ( 3672 PWs) bands (ev): -18.1598 -18.1598 -18.1052 -18.1052 -14.0381 -14.0381 -13.9896 -13.9896 -5.2783 -5.2783 -4.9327 -4.9327 -3.6847 -3.6847 -3.3872 -3.3872 -3.1802 -3.1802 -2.7870 -2.7870 -0.3471 -0.3471 -0.0885 -0.0885 1.6681 1.6681 2.0514 2.0514 2.3742 2.3742 2.8486 2.8486 3.1417 3.1417 3.6605 3.6605 7.8302 7.8302 10.4122 10.4122 10.7259 10.7259 10.9741 10.9741 11.9666 11.9666 13.6340 13.6340 k = 0.5612 0.2066-0.1556 ( 3670 PWs) bands (ev): -18.1594 -18.1594 -18.1055 -18.1055 -14.0374 -14.0374 -13.9902 -13.9902 -5.2740 -5.2740 -4.9399 -4.9399 -3.6788 -3.6788 -3.3820 -3.3820 -3.1938 -3.1938 -2.8025 -2.8025 -0.3306 -0.3306 -0.0742 -0.0742 1.6678 1.6678 2.0388 2.0388 2.3571 2.3571 2.8433 2.8433 3.1744 3.1744 3.6557 3.6557 7.8777 7.8777 10.4169 10.4169 10.6835 10.6835 10.9518 10.9518 12.0141 12.0141 13.5777 13.5777 k = 0.5680 0.1955-0.1556 ( 3670 PWs) bands (ev): -18.1589 -18.1589 -18.1058 -18.1058 -14.0366 -14.0366 -13.9908 -13.9908 -5.2692 -5.2692 -4.9477 -4.9477 -3.6723 -3.6723 -3.3763 -3.3763 -3.2083 -3.2083 -2.8186 -2.8186 -0.3132 -0.3132 -0.0596 -0.0596 1.6676 1.6676 2.0277 2.0277 2.3394 2.3394 2.8378 2.8378 3.2076 3.2076 3.6499 3.6499 7.9305 7.9305 10.4192 10.4192 10.6400 10.6400 10.9305 10.9305 12.0630 12.0630 13.5120 13.5120 k = 0.5748 0.1844-0.1556 ( 3670 PWs) bands (ev): -18.1585 -18.1585 -18.1062 -18.1062 -14.0358 -14.0358 -13.9914 -13.9914 -5.2640 -5.2640 -4.9561 -4.9561 -3.6654 -3.6654 -3.3705 -3.3705 -3.2234 -3.2234 -2.8352 -2.8352 -0.2954 -0.2954 -0.0452 -0.0452 1.6676 1.6676 2.0185 2.0185 2.3214 2.3214 2.8321 2.8321 3.2408 3.2408 3.6429 3.6429 7.9883 7.9883 10.4179 10.4179 10.5957 10.5957 10.9113 10.9113 12.1127 12.1127 13.4405 13.4405 k = 0.5815 0.1733-0.1556 ( 3666 PWs) bands (ev): -18.1581 -18.1581 -18.1066 -18.1066 -14.0349 -14.0349 -13.9921 -13.9921 -5.2583 -5.2583 -4.9651 -4.9651 -3.6579 -3.6579 -3.3648 -3.3648 -3.2386 -3.2386 -2.8520 -2.8520 -0.2774 -0.2774 -0.0312 -0.0312 1.6678 1.6678 2.0115 2.0115 2.3034 2.3034 2.8262 2.8262 3.2735 3.2735 3.6348 3.6348 8.0510 8.0510 10.4119 10.4119 10.5512 10.5512 10.8958 10.8958 12.1626 12.1626 13.3654 13.3654 k = 0.5883 0.1622-0.1556 ( 3666 PWs) bands (ev): -18.1576 -18.1576 -18.1070 -18.1070 -14.0340 -14.0340 -13.9927 -13.9927 -5.2522 -5.2522 -4.9745 -4.9745 -3.6500 -3.6500 -3.3600 -3.3600 -3.2530 -3.2530 -2.8686 -2.8686 -0.2598 -0.2598 -0.0178 -0.0178 1.6685 1.6685 2.0069 2.0069 2.2857 2.2857 2.8201 2.8201 3.3055 3.3055 3.6254 3.6254 8.1185 8.1185 10.3998 10.3998 10.5067 10.5067 10.8852 10.8852 12.2119 12.2119 13.2879 13.2879 k = 0.5951 0.1512-0.1556 ( 3662 PWs) bands (ev): -18.1572 -18.1572 -18.1075 -18.1075 -14.0330 -14.0330 -13.9934 -13.9934 -5.2458 -5.2458 -4.9842 -4.9842 -3.6418 -3.6418 -3.3573 -3.3573 -3.2650 -3.2650 -2.8850 -2.8850 -0.2428 -0.2428 -0.0052 -0.0052 1.6697 1.6697 2.0048 2.0048 2.2685 2.2685 2.8138 2.8138 3.3363 3.3363 3.6149 3.6149 8.1906 8.1906 10.3810 10.3810 10.4626 10.4626 10.8803 10.8803 12.2600 12.2600 13.2091 13.2091 k = 0.6019 0.1401-0.1556 ( 3662 PWs) bands (ev): -18.1568 -18.1568 -18.1081 -18.1081 -14.0320 -14.0320 -13.9940 -13.9940 -5.2389 -5.2389 -4.9943 -4.9943 -3.6333 -3.6333 -3.3586 -3.3586 -3.2726 -3.2726 -2.9010 -2.9010 -0.2270 -0.2270 0.0064 0.0064 1.6715 1.6715 2.0053 2.0053 2.2521 2.2521 2.8074 2.8074 3.3653 3.3653 3.6033 3.6033 8.2671 8.2671 10.3553 10.3553 10.4190 10.4190 10.8815 10.8815 12.3062 12.3062 13.1299 13.1299 k = 0.6087 0.1290-0.1556 ( 3660 PWs) bands (ev): -18.1564 -18.1564 -18.1087 -18.1087 -14.0310 -14.0310 -13.9946 -13.9946 -5.2318 -5.2318 -5.0046 -5.0046 -3.6247 -3.6247 -3.3652 -3.3652 -3.2743 -3.2743 -2.9164 -2.9164 -0.2126 -0.2126 0.0169 0.0169 1.6741 1.6741 2.0083 2.0083 2.2369 2.2369 2.8009 2.8009 3.3923 3.3923 3.5910 3.5910 8.3478 8.3478 10.3234 10.3234 10.3759 10.3759 10.8884 10.8884 12.3497 12.3497 13.0510 13.0510 k = 0.6155 0.1179-0.1556 ( 3660 PWs) bands (ev): -18.1561 -18.1561 -18.1093 -18.1093 -14.0299 -14.0299 -13.9951 -13.9951 -5.2243 -5.2243 -5.0150 -5.0150 -3.6161 -3.6161 -3.3764 -3.3764 -3.2704 -3.2704 -2.9312 -2.9312 -0.2002 -0.2002 0.0266 0.0266 1.6775 1.6775 2.0138 2.0138 2.2232 2.2232 2.7943 2.7943 3.4163 3.4163 3.5785 3.5785 8.4324 8.4324 10.2867 10.2867 10.3329 10.3329 10.9003 10.9003 12.3899 12.3899 12.9729 12.9729 k = 0.6223 0.1068-0.1556 ( 3661 PWs) bands (ev): -18.1559 -18.1559 -18.1100 -18.1100 -14.0289 -14.0289 -13.9956 -13.9956 -5.2166 -5.2166 -5.0253 -5.0253 -3.6079 -3.6079 -3.3904 -3.3904 -3.2623 -3.2623 -2.9452 -2.9452 -0.1900 -0.1900 0.0352 0.0352 1.6817 1.6817 2.0217 2.0217 2.2111 2.2111 2.7875 2.7875 3.4362 3.4362 3.5670 3.5670 8.5208 8.5208 10.2464 10.2464 10.2898 10.2898 10.9164 10.9164 12.4258 12.4258 12.8961 12.8961 k = 0.6291 0.0957-0.1556 ( 3657 PWs) bands (ev): -18.1558 -18.1558 -18.1108 -18.1108 -14.0278 -14.0278 -13.9960 -13.9960 -5.2086 -5.2086 -5.0355 -5.0355 -3.6002 -3.6002 -3.4051 -3.4051 -3.2517 -3.2517 -2.9583 -2.9583 -0.1823 -0.1823 0.0431 0.0431 1.6866 1.6866 2.0316 2.0316 2.2010 2.2010 2.7807 2.7807 3.4496 3.4496 3.5586 3.5586 8.6127 8.6127 10.2035 10.2035 10.2468 10.2468 10.9358 10.9358 12.4570 12.4570 12.8211 12.8211 k = 0.6359 0.0846-0.1556 ( 3657 PWs) bands (ev): -18.1557 -18.1557 -18.1115 -18.1115 -14.0268 -14.0268 -13.9963 -13.9963 -5.2006 -5.2006 -5.0455 -5.0455 -3.5937 -3.5937 -3.4190 -3.4190 -3.2393 -3.2393 -2.9706 -2.9706 -0.1774 -0.1774 0.0503 0.0503 1.6921 1.6921 2.0433 2.0433 2.1931 2.1931 2.7737 2.7737 3.4538 3.4538 3.5563 3.5563 8.7078 8.7078 10.1584 10.1584 10.2044 10.2044 10.9576 10.9576 12.4826 12.4826 12.7480 12.7480 k = 0.6427 0.0735-0.1556 ( 3655 PWs) bands (ev): -18.1558 -18.1558 -18.1124 -18.1124 -14.0258 -14.0258 -13.9966 -13.9966 -5.1926 -5.1926 -5.0549 -5.0549 -3.5891 -3.5891 -3.4310 -3.4310 -3.2257 -3.2257 -2.9819 -2.9819 -0.1752 -0.1752 0.0568 0.0568 1.6981 1.6981 2.0565 2.0565 2.1878 2.1878 2.7667 2.7667 3.4476 3.4476 3.5610 3.5610 8.8056 8.8056 10.1115 10.1115 10.1631 10.1631 10.9813 10.9813 12.5022 12.5022 12.6773 12.6773 k = 0.6495 0.0624-0.1556 ( 3653 PWs) bands (ev): -18.1561 -18.1561 -18.1132 -18.1132 -14.0247 -14.0247 -13.9967 -13.9967 -5.1847 -5.1847 -5.0637 -5.0637 -3.5870 -3.5870 -3.4397 -3.4397 -3.2112 -3.2112 -2.9922 -2.9922 -0.1758 -0.1758 0.0626 0.0626 1.7044 1.7044 2.0705 2.0705 2.1854 2.1854 2.7596 2.7596 3.4336 3.4336 3.5704 3.5704 8.9060 8.9060 10.0631 10.0631 10.1234 10.1234 11.0062 11.0062 12.5152 12.5152 12.6095 12.6095 k = 0.3505-0.5720 0.0000 ( 3653 PWs) bands (ev): -18.1561 -18.1561 -18.1132 -18.1132 -14.0247 -14.0247 -13.9967 -13.9967 -5.1847 -5.1847 -5.0637 -5.0637 -3.5870 -3.5870 -3.4397 -3.4397 -3.2112 -3.2112 -2.9922 -2.9922 -0.1758 -0.1758 0.0626 0.0626 1.7044 1.7044 2.0705 2.0705 2.1854 2.1854 2.7596 2.7596 3.4336 3.4336 3.5704 3.5704 8.9060 8.9060 10.0631 10.0631 10.1234 10.1234 11.0062 11.0062 12.5152 12.5152 12.6095 12.6095 k = 0.3436-0.5607 0.0000 ( 3653 PWs) bands (ev): -18.1565 -18.1565 -18.1141 -18.1141 -14.0238 -14.0238 -13.9967 -13.9967 -5.1771 -5.1771 -5.0716 -5.0716 -3.5883 -3.5883 -3.4443 -3.4443 -3.1959 -3.1959 -3.0014 -3.0014 -0.1789 -0.1789 0.0677 0.0677 1.7110 1.7110 2.0850 2.0850 2.1863 2.1863 2.7523 2.7523 3.4145 3.4145 3.5816 3.5816 9.0097 9.0097 10.0129 10.0129 10.0851 10.0851 11.0321 11.0321 12.5183 12.5183 12.5471 12.5471 k = 0.3368-0.5495 0.0000 ( 3657 PWs) bands (ev): -18.1571 -18.1571 -18.1149 -18.1149 -14.0228 -14.0228 -13.9965 -13.9965 -5.1703 -5.1703 -5.0780 -5.0780 -3.5930 -3.5930 -3.4442 -3.4442 -3.1802 -3.1802 -3.0095 -3.0095 -0.1845 -0.1845 0.0719 0.0719 1.7177 1.7177 2.0989 2.0989 2.1909 2.1909 2.7451 2.7451 3.3926 3.3926 3.5929 3.5929 9.1149 9.1149 9.9619 9.9619 10.0489 10.0489 11.0583 11.0583 12.4749 12.4749 12.5274 12.5274 k = 0.3299-0.5383 0.0000 ( 3653 PWs) bands (ev): -18.1580 -18.1580 -18.1158 -18.1158 -14.0219 -14.0219 -13.9962 -13.9962 -5.1648 -5.1648 -5.0825 -5.0825 -3.6007 -3.6007 -3.4399 -3.4399 -3.1645 -3.1645 -3.0162 -3.0162 -0.1920 -0.1920 0.0753 0.0753 1.7243 1.7243 2.1117 2.1117 2.1994 2.1994 2.7377 2.7377 3.3690 3.3690 3.6032 3.6032 9.2213 9.2213 9.9107 9.9107 10.0148 10.0148 11.0846 11.0846 12.4153 12.4153 12.5208 12.5208 k = 0.3230-0.5271 0.0000 ( 3659 PWs) bands (ev): -18.1591 -18.1591 -18.1167 -18.1167 -14.0211 -14.0211 -13.9958 -13.9958 -5.1611 -5.1611 -5.0843 -5.0843 -3.6103 -3.6103 -3.4322 -3.4322 -3.1490 -3.1490 -3.0213 -3.0213 -0.2011 -0.2011 0.0777 0.0777 1.7308 1.7308 2.1230 2.1230 2.2114 2.2114 2.7303 2.7303 3.3444 3.3444 3.6121 3.6121 9.3279 9.3279 9.8596 9.8596 9.9832 9.9832 11.1105 11.1105 12.3575 12.3575 12.5093 12.5093 k = 0.3161-0.5159 0.0000 ( 3661 PWs) bands (ev): -18.1604 -18.1604 -18.1175 -18.1175 -14.0203 -14.0203 -13.9952 -13.9952 -5.1596 -5.1596 -5.0832 -5.0832 -3.6209 -3.6209 -3.4218 -3.4218 -3.1344 -3.1344 -3.0244 -3.0244 -0.2116 -0.2116 0.0790 0.0790 1.7371 1.7371 2.1330 2.1330 2.2263 2.2263 2.7228 2.7228 3.3195 3.3195 3.6195 3.6195 9.4336 9.4336 9.8089 9.8089 9.9547 9.9547 11.1358 11.1358 12.3024 12.3024 12.4926 12.4926 k = 0.3093-0.5047 0.0000 ( 3671 PWs) bands (ev): -18.1620 -18.1620 -18.1183 -18.1183 -14.0196 -14.0196 -13.9944 -13.9944 -5.1601 -5.1601 -5.0792 -5.0792 -3.6316 -3.6316 -3.4095 -3.4095 -3.1211 -3.1211 -3.0250 -3.0250 -0.2230 -0.2230 0.0793 0.0793 1.7431 1.7431 2.1419 2.1419 2.2430 2.2430 2.7153 2.7153 3.2946 3.2946 3.6252 3.6252 9.5364 9.5364 9.7591 9.7591 9.9305 9.9305 11.1602 11.1602 12.2502 12.2502 12.4713 12.4713 k = 0.3024-0.4934 0.0000 ( 3671 PWs) bands (ev): -18.1638 -18.1638 -18.1191 -18.1191 -14.0189 -14.0189 -13.9934 -13.9934 -5.1620 -5.1620 -5.0728 -5.0728 -3.6420 -3.6420 -3.3958 -3.3958 -3.1100 -3.1100 -3.0225 -3.0225 -0.2349 -0.2349 0.0786 0.0786 1.7489 1.7489 2.1502 2.1502 2.2603 2.2603 2.7078 2.7078 3.2702 3.2702 3.6294 3.6294 9.6314 9.6314 9.7118 9.7118 9.9137 9.9137 11.1836 11.1836 12.2008 12.2008 12.4458 12.4458 k = 0.2955-0.4822 0.0000 ( 3671 PWs) bands (ev): -18.1660 -18.1660 -18.1198 -18.1198 -14.0184 -14.0184 -13.9922 -13.9922 -5.1648 -5.1648 -5.0647 -5.0647 -3.6516 -3.6516 -3.3810 -3.3810 -3.1016 -3.1016 -3.0163 -3.0163 -0.2472 -0.2472 0.0769 0.0769 1.7543 1.7543 2.1578 2.1578 2.2774 2.2774 2.7001 2.7001 3.2470 3.2470 3.6319 3.6319 9.6567 9.6567 9.7184 9.7184 9.9138 9.9138 11.2058 11.2058 12.1544 12.1544 12.4166 12.4166 k = 0.2886-0.4710 0.0000 ( 3673 PWs) bands (ev): -18.1684 -18.1684 -18.1205 -18.1205 -14.0179 -14.0179 -13.9909 -13.9909 -5.1678 -5.1678 -5.0554 -5.0554 -3.6602 -3.6602 -3.3654 -3.3654 -3.0960 -3.0960 -3.0067 -3.0067 -0.2594 -0.2594 0.0744 0.0744 1.7593 1.7593 2.1646 2.1646 2.2936 2.2936 2.6924 2.6924 3.2253 3.2253 3.6329 3.6329 9.6121 9.6121 9.7597 9.7597 9.9498 9.9498 11.2265 11.2265 12.1108 12.1108 12.3845 12.3845 k = 0.2818-0.4598 0.0000 ( 3669 PWs) bands (ev): -18.1711 -18.1711 -18.1212 -18.1212 -14.0175 -14.0175 -13.9893 -13.9893 -5.1707 -5.1707 -5.0453 -5.0453 -3.6675 -3.6675 -3.3491 -3.3491 -3.0923 -3.0923 -2.9943 -2.9943 -0.2715 -0.2715 0.0711 0.0711 1.7639 1.7639 2.1705 2.1705 2.3080 2.3080 2.6846 2.6846 3.2057 3.2057 3.6325 3.6325 9.5670 9.5670 9.7666 9.7666 10.0207 10.0207 11.2457 11.2457 12.0702 12.0702 12.3498 12.3498 k = 0.2749-0.4486 0.0000 ( 3679 PWs) bands (ev): -18.1741 -18.1741 -18.1219 -18.1219 -14.0172 -14.0172 -13.9876 -13.9876 -5.1732 -5.1732 -5.0346 -5.0346 -3.6734 -3.6734 -3.3323 -3.3323 -3.0899 -3.0899 -2.9802 -2.9802 -0.2831 -0.2831 0.0671 0.0671 1.7682 1.7682 2.1751 2.1751 2.3203 2.3203 2.6767 2.6767 3.1886 3.1886 3.6306 3.6306 9.5231 9.5231 9.7584 9.7584 10.1042 10.1042 11.2631 11.2631 12.0324 12.0324 12.3131 12.3131 k = 0.2680-0.4374 0.0000 ( 3677 PWs) bands (ev): -18.1773 -18.1773 -18.1226 -18.1226 -14.0170 -14.0170 -13.9856 -13.9856 -5.1751 -5.1751 -5.0235 -5.0235 -3.6777 -3.6777 -3.3150 -3.3150 -3.0880 -3.0880 -2.9649 -2.9649 -0.2940 -0.2940 0.0626 0.0626 1.7720 1.7720 2.1782 2.1782 2.3297 2.3297 2.6688 2.6688 3.1746 3.1746 3.6274 3.6274 9.4808 9.4808 9.7459 9.7459 10.1884 10.1884 11.2786 11.2786 11.9977 11.9977 12.2748 12.2748 k = 0.2612-0.4262 0.0000 ( 3681 PWs) bands (ev): -18.1807 -18.1807 -18.1232 -18.1232 -14.0169 -14.0169 -13.9835 -13.9835 -5.1763 -5.1763 -5.0121 -5.0121 -3.6804 -3.6804 -3.2974 -3.2974 -3.0862 -3.0862 -2.9493 -2.9493 -0.3041 -0.3041 0.0576 0.0576 1.7755 1.7755 2.1794 2.1794 2.3360 2.3360 2.6609 2.6609 3.1641 3.1641 3.6230 3.6230 9.4402 9.4402 9.7326 9.7326 10.2682 10.2682 11.2918 11.2918 11.9661 11.9661 12.2355 12.2355 k = 0.2543-0.4149 0.0000 ( 3689 PWs) bands (ev): -18.1844 -18.1844 -18.1239 -18.1239 -14.0169 -14.0169 -13.9811 -13.9811 -5.1767 -5.1767 -5.0005 -5.0005 -3.6815 -3.6815 -3.2797 -3.2797 -3.0841 -3.0841 -2.9335 -2.9335 -0.3133 -0.3133 0.0523 0.0523 1.7785 1.7785 2.1786 2.1786 2.3387 2.3387 2.6530 2.6530 3.1572 3.1572 3.6174 3.6174 9.4013 9.4013 9.7198 9.7198 10.3409 10.3409 11.3025 11.3025 11.9379 11.9379 12.1954 12.1954 k = 0.2474-0.4037 0.0000 ( 3689 PWs) bands (ev): -18.1883 -18.1883 -18.1246 -18.1246 -14.0169 -14.0169 -13.9786 -13.9786 -5.1763 -5.1763 -4.9889 -4.9889 -3.6809 -3.6809 -3.2618 -3.2618 -3.0815 -3.0815 -2.9179 -2.9179 -0.3214 -0.3214 0.0467 0.0467 1.7812 1.7812 2.1756 2.1756 2.3376 2.3376 2.6453 2.6453 3.1542 3.1542 3.6106 3.6106 9.3644 9.3644 9.7082 9.7082 10.4045 10.4045 11.3104 11.3104 11.9134 11.9134 12.1549 12.1549 k = 0.2405-0.3925 0.0000 ( 3689 PWs) bands (ev): -18.1923 -18.1923 -18.1254 -18.1254 -14.0171 -14.0171 -13.9758 -13.9758 -5.1750 -5.1750 -4.9771 -4.9771 -3.6785 -3.6785 -3.2438 -3.2438 -3.0783 -3.0783 -2.9026 -2.9026 -0.3283 -0.3283 0.0409 0.0409 1.7834 1.7834 2.1704 2.1704 2.3326 2.3326 2.6379 2.6379 3.1550 3.1550 3.6026 3.6026 9.3295 9.3295 9.6979 9.6979 10.4574 10.4574 11.3149 11.3149 11.8931 11.8931 12.1143 12.1143 k = 0.2337-0.3813 0.0000 ( 3689 PWs) bands (ev): -18.1966 -18.1966 -18.1261 -18.1261 -14.0174 -14.0174 -13.9729 -13.9729 -5.1729 -5.1729 -4.9654 -4.9654 -3.6744 -3.6744 -3.2260 -3.2260 -3.0744 -3.0744 -2.8878 -2.8878 -0.3339 -0.3339 0.0350 0.0350 1.7853 1.7853 2.1629 2.1629 2.3237 2.3237 2.6309 2.6309 3.1595 3.1595 3.5935 3.5935 9.2966 9.2966 9.6891 9.6891 10.4986 10.4986 11.3156 11.3156 11.8774 11.8774 12.0740 12.0740 k = 0.2268-0.3701 0.0000 ( 3685 PWs) bands (ev): -18.2010 -18.2010 -18.1269 -18.1269 -14.0178 -14.0178 -13.9699 -13.9699 -5.1699 -5.1699 -4.9537 -4.9537 -3.6686 -3.6686 -3.2082 -3.2082 -3.0696 -3.0696 -2.8736 -2.8736 -0.3383 -0.3383 0.0289 0.0289 1.7868 1.7868 2.1533 2.1533 2.3111 2.3111 2.6243 2.6243 3.1674 3.1674 3.5832 3.5832 9.2658 9.2658 9.6818 9.6818 10.5270 10.5270 11.3121 11.3121 11.8668 11.8668 12.0342 12.0342 k = 0.2199-0.3589 0.0000 ( 3687 PWs) bands (ev): -18.2056 -18.2056 -18.1278 -18.1278 -14.0182 -14.0182 -13.9666 -13.9666 -5.1660 -5.1660 -4.9421 -4.9421 -3.6610 -3.6610 -3.1908 -3.1908 -3.0640 -3.0640 -2.8601 -2.8601 -0.3413 -0.3413 0.0227 0.0227 1.7879 1.7879 2.1419 2.1419 2.2949 2.2949 2.6182 2.6182 3.1781 3.1781 3.5717 3.5717 9.2372 9.2372 9.6759 9.6759 10.5425 10.5425 11.3041 11.3041 11.8617 11.8617 11.9951 11.9951 k = 0.2130-0.3477 0.0000 ( 3687 PWs) bands (ev): -18.2102 -18.2102 -18.1287 -18.1287 -14.0188 -14.0188 -13.9632 -13.9632 -5.1613 -5.1613 -4.9306 -4.9306 -3.6518 -3.6518 -3.1736 -3.1736 -3.0574 -3.0574 -2.8473 -2.8473 -0.3429 -0.3429 0.0164 0.0164 1.7886 1.7886 2.1289 2.1289 2.2755 2.2755 2.6126 2.6126 3.1913 3.1913 3.5588 3.5588 9.2107 9.2107 9.6714 9.6714 10.5452 10.5452 11.2913 11.2913 11.8623 11.8623 11.9571 11.9571 k = 0.2062-0.3364 0.0000 ( 3677 PWs) bands (ev): -18.2150 -18.2150 -18.1296 -18.1296 -14.0194 -14.0194 -13.9597 -13.9597 -5.1558 -5.1558 -4.9193 -4.9193 -3.6409 -3.6409 -3.1568 -3.1568 -3.0498 -3.0498 -2.8353 -2.8353 -0.3433 -0.3433 0.0098 0.0098 1.7890 1.7890 2.1147 2.1147 2.2534 2.2534 2.6074 2.6074 3.2063 3.2063 3.5446 3.5446 9.1864 9.1864 9.6682 9.6682 10.5357 10.5357 11.2740 11.2740 11.8685 11.8685 11.9204 11.9204 k = 0.1993-0.3252 0.0000 ( 3683 PWs) bands (ev): -18.2199 -18.2199 -18.1306 -18.1306 -14.0202 -14.0202 -13.9561 -13.9561 -5.1494 -5.1494 -4.9081 -4.9081 -3.6285 -3.6285 -3.1405 -3.1405 -3.0412 -3.0412 -2.8242 -2.8242 -0.3423 -0.3423 0.0029 0.0029 1.7891 1.7891 2.0996 2.0996 2.2291 2.2291 2.6026 2.6026 3.2227 3.2227 3.5290 3.5290 9.1643 9.1643 9.6663 9.6663 10.5151 10.5151 11.2522 11.2522 11.8782 11.8782 11.8873 11.8873 k = 0.1924-0.3140 0.0000 ( 3693 PWs) bands (ev): -18.2248 -18.2248 -18.1316 -18.1316 -14.0210 -14.0210 -13.9523 -13.9523 -5.1424 -5.1424 -4.8971 -4.8971 -3.6145 -3.6145 -3.1246 -3.1246 -3.0315 -3.0315 -2.8139 -2.8139 -0.3402 -0.3402 -0.0044 -0.0044 1.7889 1.7889 2.0840 2.0840 2.2029 2.2029 2.5982 2.5982 3.2398 3.2398 3.5119 3.5119 9.1443 9.1443 9.6654 9.6654 10.4847 10.4847 11.2264 11.2264 11.8504 11.8504 11.8987 11.8987 k = 0.1856-0.3028 0.0000 ( 3695 PWs) bands (ev): -18.2298 -18.2298 -18.1326 -18.1326 -14.0219 -14.0219 -13.9485 -13.9485 -5.1346 -5.1346 -4.8864 -4.8864 -3.5990 -3.5990 -3.1092 -3.1092 -3.0209 -3.0209 -2.8044 -2.8044 -0.3368 -0.3368 -0.0121 -0.0121 1.7883 1.7883 2.0682 2.0682 2.1755 2.1755 2.5941 2.5941 3.2572 3.2572 3.4936 3.4936 9.1265 9.1265 9.6655 9.6655 10.4459 10.4459 11.1973 11.1973 11.8185 11.8185 11.9210 11.9210 k = 0.1787-0.2916 0.0000 ( 3687 PWs) bands (ev): -18.2349 -18.2349 -18.1337 -18.1337 -14.0228 -14.0228 -13.9446 -13.9446 -5.1262 -5.1262 -4.8759 -4.8759 -3.5822 -3.5822 -3.0941 -3.0941 -3.0095 -3.0095 -2.7958 -2.7958 -0.3325 -0.3325 -0.0204 -0.0204 1.7874 1.7874 2.0522 2.0522 2.1477 2.1477 2.5903 2.5903 3.2739 3.2739 3.4742 3.4742 9.1109 9.1109 9.6663 9.6663 10.4004 10.4004 11.1652 11.1652 11.7885 11.7885 11.9480 11.9480 k = 0.1718-0.2804 0.0000 ( 3685 PWs) bands (ev): -18.2399 -18.2399 -18.1348 -18.1348 -14.0238 -14.0238 -13.9406 -13.9406 -5.1173 -5.1173 -4.8657 -4.8657 -3.5642 -3.5642 -3.0792 -3.0792 -2.9974 -2.9974 -2.7880 -2.7880 -0.3272 -0.3272 -0.0293 -0.0293 1.7862 1.7862 2.0360 2.0360 2.1204 2.1204 2.5868 2.5868 3.2892 3.2892 3.4543 3.4543 9.0973 9.0973 9.6677 9.6677 10.3494 10.3494 11.1308 11.1308 11.7604 11.7604 11.9794 11.9794 k = 0.1649-0.2692 0.0000 ( 3677 PWs) bands (ev): -18.2449 -18.2449 -18.1360 -18.1360 -14.0248 -14.0248 -13.9365 -13.9365 -5.1078 -5.1078 -4.8559 -4.8559 -3.5450 -3.5450 -3.0645 -3.0645 -2.9847 -2.9847 -2.7809 -2.7809 -0.3212 -0.3212 -0.0389 -0.0389 1.7847 1.7847 2.0190 2.0190 2.0948 2.0948 2.5835 2.5835 3.3014 3.3014 3.4349 3.4349 9.0859 9.0859 9.6694 9.6694 10.2945 10.2945 11.0945 11.0945 11.7345 11.7345 12.0147 12.0147 k = 0.1581-0.2579 0.0000 ( 3677 PWs) bands (ev): -18.2499 -18.2499 -18.1371 -18.1371 -14.0259 -14.0259 -13.9325 -13.9325 -5.0979 -5.0979 -4.8463 -4.8463 -3.5248 -3.5248 -3.0497 -3.0497 -2.9716 -2.9716 -2.7747 -2.7747 -0.3147 -0.3147 -0.0494 -0.0494 1.7829 1.7829 2.0003 2.0003 2.0728 2.0728 2.5804 2.5804 3.3076 3.3076 3.4187 3.4187 9.0763 9.0763 9.6712 9.6712 10.2367 10.2367 11.0567 11.0567 11.7109 11.7109 12.0538 12.0538 k = 0.1512-0.2467 0.0000 ( 3675 PWs) bands (ev): -18.2549 -18.2549 -18.1383 -18.1383 -14.0271 -14.0271 -13.9284 -13.9284 -5.0876 -5.0876 -4.8371 -4.8371 -3.5037 -3.5037 -3.0346 -3.0346 -2.9584 -2.9584 -2.7692 -2.7692 -0.3079 -0.3079 -0.0607 -0.0607 1.7808 1.7808 1.9792 1.9792 2.0557 2.0557 2.5776 2.5776 3.3037 3.3037 3.4095 3.4095 9.0688 9.0688 9.6726 9.6726 10.1776 10.1776 11.0178 11.0178 11.6895 11.6895 12.0964 12.0964 k = 0.1443-0.2355 0.0000 ( 3673 PWs) bands (ev): -18.2598 -18.2598 -18.1395 -18.1395 -14.0282 -14.0282 -13.9244 -13.9244 -5.0770 -5.0770 -4.8283 -4.8283 -3.4819 -3.4819 -3.0193 -3.0193 -2.9452 -2.9452 -2.7644 -2.7644 -0.3010 -0.3010 -0.0728 -0.0728 1.7782 1.7782 1.9561 1.9561 2.0438 2.0438 2.5749 2.5749 3.2878 3.2878 3.4090 3.4090 9.0630 9.0630 9.6731 9.6731 10.1181 10.1181 10.9782 10.9782 11.6705 11.6705 12.1423 12.1423 k = 0.1375-0.2243 0.0000 ( 3665 PWs) bands (ev): -18.2646 -18.2646 -18.1407 -18.1407 -14.0294 -14.0294 -13.9203 -13.9203 -5.0662 -5.0662 -4.8198 -4.8198 -3.4595 -3.4595 -3.0036 -3.0036 -2.9321 -2.9321 -2.7603 -2.7603 -0.2943 -0.2943 -0.0857 -0.0857 1.7751 1.7751 1.9322 1.9322 2.0367 2.0367 2.5725 2.5725 3.2625 3.2625 3.4145 3.4145 9.0590 9.0590 9.6722 9.6722 10.0598 10.0598 10.9382 10.9382 11.6538 11.6538 12.1912 12.1912 k = 0.1306-0.2131 0.0000 ( 3669 PWs) bands (ev): -18.2693 -18.2693 -18.1419 -18.1419 -14.0306 -14.0306 -13.9164 -13.9164 -5.0553 -5.0553 -4.8118 -4.8118 -3.4367 -3.4367 -2.9873 -2.9873 -2.9192 -2.9192 -2.7567 -2.7567 -0.2882 -0.2882 -0.0993 -0.0993 1.7713 1.7713 1.9088 1.9088 2.0335 2.0335 2.5702 2.5702 3.2313 3.2313 3.4225 3.4225 9.0567 9.0567 9.6688 9.6688 10.0040 10.0040 10.8982 10.8982 11.6394 11.6394 12.2431 12.2431 k = 0.1237-0.2019 0.0000 ( 3671 PWs) bands (ev): -18.2739 -18.2739 -18.1431 -18.1431 -14.0318 -14.0318 -13.9125 -13.9125 -5.0443 -5.0443 -4.8041 -4.8041 -3.4137 -3.4137 -2.9706 -2.9706 -2.9066 -2.9066 -2.7537 -2.7537 -0.2830 -0.2830 -0.1134 -0.1134 1.7666 1.7666 1.8875 1.8875 2.0337 2.0337 2.5681 2.5681 3.1960 3.1960 3.4311 3.4311 9.0558 9.0558 9.6616 9.6616 9.9527 9.9527 10.8584 10.8584 11.6274 11.6274 12.2976 12.2976 k = 0.1168-0.1907 0.0000 ( 3671 PWs) bands (ev): -18.2784 -18.2784 -18.1443 -18.1443 -14.0330 -14.0330 -13.9087 -13.9087 -5.0334 -5.0334 -4.7969 -4.7969 -3.3906 -3.3906 -2.9534 -2.9534 -2.8945 -2.8945 -2.7512 -2.7512 -0.2791 -0.2791 -0.1278 -0.1278 1.7609 1.7609 1.8691 1.8691 2.0369 2.0369 2.5662 2.5662 3.1577 3.1577 3.4391 3.4391 9.0563 9.0563 9.6489 9.6489 9.9080 9.9080 10.8191 10.8191 11.6176 11.6176 12.3546 12.3546 k = 0.1100-0.1794 0.0000 ( 3673 PWs) bands (ev): -18.2827 -18.2827 -18.1454 -18.1454 -14.0342 -14.0342 -13.9050 -13.9050 -5.0226 -5.0226 -4.7900 -4.7900 -3.3677 -3.3677 -2.9357 -2.9357 -2.8827 -2.8827 -2.7491 -2.7491 -0.2769 -0.2769 -0.1419 -0.1419 1.7539 1.7539 1.8544 1.8544 2.0426 2.0426 2.5645 2.5645 3.1171 3.1171 3.4462 3.4462 9.0580 9.0580 9.6288 9.6288 9.8721 9.8721 10.7807 10.7807 11.6100 11.6100 12.4139 12.4139 k = 0.1031-0.1682 0.0000 ( 3675 PWs) bands (ev): -18.2868 -18.2868 -18.1466 -18.1466 -14.0353 -14.0353 -13.9014 -13.9014 -5.0119 -5.0119 -4.7836 -4.7836 -3.3452 -3.3452 -2.9177 -2.9177 -2.8714 -2.8714 -2.7474 -2.7474 -0.2769 -0.2769 -0.1555 -0.1555 1.7458 1.7458 1.8437 1.8437 2.0506 2.0506 2.5630 2.5630 3.0745 3.0745 3.4520 3.4520 9.0609 9.0609 9.6007 9.6007 9.8458 9.8458 10.7433 10.7433 11.6045 11.6045 12.4751 12.4751 k = 0.0962-0.1570 0.0000 ( 3673 PWs) bands (ev): -18.2908 -18.2908 -18.1476 -18.1476 -14.0365 -14.0365 -13.8980 -13.8980 -5.0016 -5.0016 -4.7777 -4.7777 -3.3231 -3.3231 -2.8995 -2.8995 -2.8605 -2.8605 -2.7460 -2.7460 -0.2795 -0.2795 -0.1681 -0.1681 1.7372 1.7372 1.8369 1.8369 2.0607 2.0607 2.5616 2.5616 3.0303 3.0303 3.4566 3.4566 9.0647 9.0647 9.5659 9.5659 9.8283 9.8283 10.7072 10.7072 11.6009 11.6009 12.5346 12.5346 k = 0.0893-0.1458 0.0000 ( 3669 PWs) bands (ev): -18.2945 -18.2945 -18.1487 -18.1487 -14.0376 -14.0376 -13.8947 -13.8947 -4.9915 -4.9915 -4.7721 -4.7721 -3.3018 -3.3018 -2.8817 -2.8817 -2.8497 -2.8497 -2.7450 -2.7450 -0.2851 -0.2851 -0.1791 -0.1791 1.7289 1.7289 1.8335 1.8335 2.0724 2.0724 2.5603 2.5603 2.9849 2.9849 3.4598 3.4598 9.0693 9.0693 9.5270 9.5270 9.8174 9.8174 10.6725 10.6725 11.5990 11.5990 12.5314 12.5314 k = 0.0825-0.1346 0.0000 ( 3669 PWs) bands (ev): -18.2981 -18.2981 -18.1497 -18.1497 -14.0386 -14.0386 -13.8916 -13.8916 -4.9819 -4.9819 -4.7670 -4.7670 -3.2813 -3.2813 -2.8648 -2.8648 -2.8385 -2.8385 -2.7441 -2.7441 -0.2936 -0.2936 -0.1886 -0.1886 1.7214 1.7214 1.8331 1.8331 2.0855 2.0855 2.5593 2.5593 2.9385 2.9385 3.4617 3.4617 9.0745 9.0745 9.4863 9.4863 9.8107 9.8107 10.6396 10.6396 11.5986 11.5986 12.5174 12.5174 k = 0.0756-0.1234 0.0000 ( 3667 PWs) bands (ev): -18.3014 -18.3014 -18.1506 -18.1506 -14.0396 -14.0396 -13.8887 -13.8887 -4.9728 -4.9728 -4.7624 -4.7624 -3.2618 -3.2618 -2.8500 -2.8500 -2.8261 -2.8261 -2.7434 -2.7434 -0.3045 -0.3045 -0.1966 -0.1966 1.7151 1.7151 1.8353 1.8353 2.0996 2.0996 2.5584 2.5584 2.8916 2.8916 3.4624 3.4624 9.0801 9.0801 9.4457 9.4457 9.8068 9.8068 10.6086 10.6086 11.5996 11.5996 12.5048 12.5048 k = 0.0687-0.1121 0.0000 ( 3665 PWs) bands (ev): -18.3044 -18.3044 -18.1515 -18.1515 -14.0405 -14.0405 -13.8859 -13.8859 -4.9642 -4.9642 -4.7581 -4.7581 -3.2435 -3.2435 -2.8383 -2.8383 -2.8116 -2.8116 -2.7429 -2.7429 -0.3170 -0.3170 -0.2036 -0.2036 1.7101 1.7101 1.8401 1.8401 2.1143 2.1143 2.5576 2.5576 2.8445 2.8445 3.4620 3.4620 9.0860 9.0860 9.4065 9.4065 9.8045 9.8045 10.5797 10.5797 11.6016 11.6016 12.4937 12.4937 k = 0.0619-0.1009 0.0000 ( 3661 PWs) bands (ev): -18.3072 -18.3072 -18.1523 -18.1523 -14.0414 -14.0414 -13.8834 -13.8834 -4.9563 -4.9563 -4.7543 -4.7543 -3.2265 -3.2265 -2.8293 -2.8293 -2.7957 -2.7957 -2.7425 -2.7425 -0.3306 -0.3306 -0.2099 -0.2099 1.7065 1.7065 1.8471 1.8471 2.1293 2.1293 2.5569 2.5569 2.7978 2.7978 3.4607 3.4607 9.0919 9.0919 9.3695 9.3695 9.8032 9.8032 10.5531 10.5531 11.6045 11.6045 12.4841 12.4841 k = 0.0550-0.0897 0.0000 ( 3665 PWs) bands (ev): -18.3098 -18.3098 -18.1531 -18.1531 -14.0422 -14.0422 -13.8812 -13.8812 -4.9490 -4.9490 -4.7509 -4.7509 -3.2110 -3.2110 -2.8222 -2.8222 -2.7797 -2.7797 -2.7421 -2.7421 -0.3443 -0.3443 -0.2158 -0.2158 1.7040 1.7040 1.8564 1.8564 2.1442 2.1442 2.5563 2.5563 2.7519 2.7519 3.4586 3.4586 9.0978 9.0978 9.3355 9.3355 9.8025 9.8025 10.5289 10.5289 11.6079 11.6079 12.4759 12.4759 k = 0.0481-0.0785 0.0000 ( 3663 PWs) bands (ev): -18.3120 -18.3120 -18.1538 -18.1538 -14.0429 -14.0429 -13.8791 -13.8791 -4.9424 -4.9424 -4.7480 -4.7480 -3.1969 -3.1969 -2.8164 -2.8164 -2.7642 -2.7642 -2.7417 -2.7417 -0.3577 -0.3577 -0.2214 -0.2214 1.7025 1.7025 1.8677 1.8677 2.1585 2.1585 2.5557 2.5557 2.7076 2.7076 3.4561 3.4561 9.1033 9.1033 9.3047 9.3047 9.8022 9.8022 10.5072 10.5072 11.6116 11.6116 12.4691 12.4691 k = 0.0412-0.0673 0.0000 ( 3663 PWs) bands (ev): -18.3140 -18.3140 -18.1543 -18.1543 -14.0435 -14.0435 -13.8774 -13.8774 -4.9366 -4.9366 -4.7454 -4.7454 -3.1846 -3.1846 -2.8117 -2.8117 -2.7502 -2.7502 -2.7411 -2.7411 -0.3702 -0.3702 -0.2267 -0.2267 1.7016 1.7016 1.8805 1.8805 2.1720 2.1720 2.5550 2.5550 2.6658 2.6658 3.4533 3.4533 9.1085 9.1085 9.2776 9.2776 9.8020 9.8020 10.4881 10.4881 11.6154 11.6154 12.4635 12.4635 k = 0.0344-0.0561 0.0000 ( 3661 PWs) bands (ev): -18.3157 -18.3157 -18.1549 -18.1549 -14.0440 -14.0440 -13.8758 -13.8758 -4.9317 -4.9317 -4.7433 -4.7433 -3.1739 -3.1739 -2.8078 -2.8078 -2.7425 -2.7425 -2.7357 -2.7357 -0.3814 -0.3814 -0.2315 -0.2315 1.7011 1.7011 1.8942 1.8942 2.1843 2.1843 2.5538 2.5538 2.6276 2.6276 3.4504 3.4504 9.1131 9.1131 9.2544 9.2544 9.8020 9.8020 10.4718 10.4718 11.6191 11.6191 12.4590 12.4590 k = 0.0275-0.0449 0.0000 ( 3665 PWs) bands (ev): -18.3171 -18.3171 -18.1553 -18.1553 -14.0445 -14.0445 -13.8746 -13.8746 -4.9276 -4.9276 -4.7415 -4.7415 -3.1651 -3.1651 -2.8047 -2.8047 -2.7417 -2.7417 -2.7254 -2.7254 -0.3910 -0.3910 -0.2357 -0.2357 1.7009 1.7009 1.9080 1.9080 2.1950 2.1950 2.5509 2.5509 2.5953 2.5953 3.4477 3.4477 9.1170 9.1170 9.2352 9.2352 9.8020 9.8020 10.4584 10.4584 11.6224 11.6224 12.4555 12.4555 k = 0.0206-0.0336 0.0000 ( 3665 PWs) bands (ev): -18.3182 -18.3182 -18.1556 -18.1556 -14.0448 -14.0448 -13.8736 -13.8736 -4.9243 -4.9243 -4.7401 -4.7401 -3.1582 -3.1582 -2.8024 -2.8024 -2.7414 -2.7414 -2.7167 -2.7167 -0.3988 -0.3988 -0.2392 -0.2392 1.7008 1.7008 1.9207 1.9207 2.2039 2.2039 2.5429 2.5429 2.5738 2.5738 3.4453 3.4453 9.1201 9.1201 9.2202 9.2202 9.8020 9.8020 10.4478 10.4478 11.6251 11.6251 12.4529 12.4529 k = 0.0137-0.0224 0.0000 ( 3663 PWs) bands (ev): -18.3190 -18.3190 -18.1558 -18.1558 -14.0451 -14.0451 -13.8729 -13.8729 -4.9220 -4.9220 -4.7392 -4.7392 -3.1532 -3.1532 -2.8008 -2.8008 -2.7413 -2.7413 -2.7103 -2.7103 -0.4045 -0.4045 -0.2418 -0.2418 1.7008 1.7008 1.9311 1.9311 2.2106 2.2106 2.5286 2.5286 2.5655 2.5655 3.4435 3.4435 9.1223 9.1223 9.2095 9.2095 9.8020 9.8020 10.4403 10.4403 11.6272 11.6272 12.4510 12.4510 k = 0.0069-0.0112 0.0000 ( 3671 PWs) bands (ev): -18.3194 -18.3194 -18.1560 -18.1560 -14.0452 -14.0452 -13.8725 -13.8725 -4.9206 -4.9206 -4.7386 -4.7386 -3.1502 -3.1502 -2.7998 -2.7998 -2.7412 -2.7412 -2.7063 -2.7063 -0.4080 -0.4080 -0.2435 -0.2435 1.7008 1.7008 1.9379 1.9379 2.2147 2.2147 2.5166 2.5166 2.5631 2.5631 3.4423 3.4423 9.1236 9.1236 9.2030 9.2030 9.8020 9.8020 10.4357 10.4357 11.6285 11.6285 12.4500 12.4500 k = 0.0000 0.0000 0.0000 ( 3677 PWs) bands (ev): -18.3196 -18.3196 -18.1560 -18.1560 -14.0453 -14.0453 -13.8723 -13.8723 -4.9201 -4.9201 -4.7384 -4.7384 -3.1491 -3.1491 -2.7995 -2.7995 -2.7411 -2.7411 -2.7050 -2.7050 -0.4092 -0.4092 -0.2440 -0.2440 1.7007 1.7007 1.9403 1.9403 2.2161 2.2161 2.5123 2.5123 2.5625 2.5625 3.4419 3.4419 9.1240 9.1240 9.2008 9.2008 9.8020 9.8020 10.4342 10.4342 11.6289 11.6289 12.4496 12.4496 k = 0.0000 0.0000 0.0000 ( 3677 PWs) bands (ev): -18.3196 -18.3196 -18.1560 -18.1560 -14.0453 -14.0453 -13.8723 -13.8723 -4.9201 -4.9201 -4.7384 -4.7384 -3.1491 -3.1491 -2.7995 -2.7995 -2.7411 -2.7411 -2.7050 -2.7050 -0.4092 -0.4092 -0.2440 -0.2440 1.7007 1.7007 1.9403 1.9403 2.2161 2.2161 2.5123 2.5123 2.5625 2.5625 3.4419 3.4419 9.1240 9.1240 9.2008 9.2008 9.8020 9.8020 10.4342 10.4342 11.6289 11.6289 12.4496 12.4496 k = 0.0116-0.0059-0.0018 ( 3672 PWs) bands (ev): -18.3194 -18.3194 -18.1560 -18.1560 -14.0452 -14.0452 -13.8725 -13.8725 -4.9206 -4.9206 -4.7386 -4.7386 -3.1501 -3.1501 -2.7998 -2.7998 -2.7414 -2.7414 -2.7063 -2.7063 -0.4081 -0.4081 -0.2436 -0.2436 1.7012 1.7012 1.9386 1.9386 2.2138 2.2138 2.5157 2.5157 2.5639 2.5639 3.4423 3.4423 9.1242 9.1242 9.2025 9.2025 9.8024 9.8024 10.4331 10.4331 11.6301 11.6301 12.4503 12.4503 k = 0.0233-0.0118-0.0036 ( 3671 PWs) bands (ev): -18.3190 -18.3190 -18.1558 -18.1558 -14.0451 -14.0451 -13.8729 -13.8729 -4.9220 -4.9220 -4.7391 -4.7391 -3.1528 -3.1528 -2.8005 -2.8005 -2.7421 -2.7421 -2.7099 -2.7099 -0.4050 -0.4050 -0.2423 -0.2423 1.7023 1.7023 1.9334 1.9334 2.2075 2.2075 2.5241 2.5241 2.5693 2.5693 3.4433 3.4433 9.1244 9.1244 9.2077 9.2077 9.8033 9.8033 10.4301 10.4301 11.6336 11.6336 12.4523 12.4523 k = 0.0349-0.0178-0.0054 ( 3668 PWs) bands (ev): -18.3181 -18.3181 -18.1556 -18.1556 -14.0448 -14.0448 -13.8737 -13.8737 -4.9242 -4.9242 -4.7400 -4.7400 -3.1573 -3.1573 -2.8019 -2.8019 -2.7434 -2.7434 -2.7156 -2.7156 -0.3999 -0.3999 -0.2402 -0.2402 1.7043 1.7043 1.9254 1.9254 2.1985 2.1985 2.5316 2.5316 2.5826 2.5826 3.4450 3.4450 9.1244 9.1244 9.2166 9.2166 9.8050 9.8050 10.4252 10.4252 11.6391 11.6391 12.4556 12.4556 k = 0.0465-0.0237-0.0072 ( 3665 PWs) bands (ev): -18.3170 -18.3170 -18.1552 -18.1552 -14.0444 -14.0444 -13.8748 -13.8748 -4.9274 -4.9274 -4.7413 -4.7413 -3.1637 -3.1637 -2.8038 -2.8038 -2.7457 -2.7457 -2.7229 -2.7229 -0.3931 -0.3931 -0.2373 -0.2373 1.7071 1.7071 1.9151 1.9151 2.1884 2.1884 2.5348 2.5348 2.6054 2.6054 3.4472 3.4472 9.1239 9.1239 9.2294 9.2294 9.8077 9.8077 10.4186 10.4186 11.6463 11.6463 12.4603 12.4603 k = 0.0581-0.0296-0.0090 ( 3663 PWs) bands (ev): -18.3156 -18.3156 -18.1548 -18.1548 -14.0439 -14.0439 -13.8761 -13.8761 -4.9314 -4.9314 -4.7430 -4.7430 -3.1718 -3.1718 -2.8064 -2.8064 -2.7499 -2.7499 -2.7305 -2.7305 -0.3850 -0.3850 -0.2338 -0.2338 1.7107 1.7107 1.9036 1.9036 2.1781 2.1781 2.5346 2.5346 2.6350 2.6350 3.4497 3.4497 9.1223 9.1223 9.2463 9.2463 9.8114 9.8114 10.4108 10.4108 11.6547 11.6547 12.4665 12.4665 k = 0.0698-0.0355-0.0109 ( 3666 PWs) bands (ev): -18.3138 -18.3138 -18.1542 -18.1542 -14.0433 -14.0433 -13.8778 -13.8778 -4.9363 -4.9363 -4.7451 -4.7451 -3.1816 -3.1816 -2.8099 -2.8099 -2.7573 -2.7573 -2.7367 -2.7367 -0.3758 -0.3758 -0.2297 -0.2297 1.7152 1.7152 1.8920 1.8920 2.1682 2.1682 2.5325 2.5325 2.6684 2.6684 3.4525 3.4525 9.1195 9.1195 9.2674 9.2674 9.8163 9.8163 10.4020 10.4020 11.6637 11.6637 12.4743 12.4743 k = 0.0814-0.0415-0.0127 ( 3670 PWs) bands (ev): -18.3118 -18.3118 -18.1536 -18.1536 -14.0427 -14.0427 -13.8797 -13.8797 -4.9419 -4.9419 -4.7476 -4.7476 -3.1930 -3.1930 -2.8144 -2.8144 -2.7680 -2.7680 -2.7410 -2.7410 -0.3659 -0.3659 -0.2253 -0.2253 1.7207 1.7207 1.8812 1.8812 2.1589 2.1589 2.5292 2.5292 2.7040 2.7040 3.4554 3.4554 9.1152 9.1152 9.2926 9.2926 9.8228 9.8228 10.3927 10.3927 11.6727 11.6727 12.4837 12.4837 k = 0.0930-0.0474-0.0145 ( 3674 PWs) bands (ev): -18.3094 -18.3094 -18.1529 -18.1529 -14.0419 -14.0419 -13.8819 -13.8819 -4.9483 -4.9483 -4.7505 -4.7505 -3.2061 -3.2061 -2.8203 -2.8203 -2.7806 -2.7806 -2.7442 -2.7442 -0.3556 -0.3556 -0.2206 -0.2206 1.7272 1.7272 1.8721 1.8721 2.1504 2.1504 2.5250 2.5250 2.7407 2.7407 3.4580 3.4580 9.1093 9.1093 9.3218 9.3218 9.8308 9.8308 10.3834 10.3834 11.6810 11.6810 12.4950 12.4950 k = 0.1047-0.0533-0.0163 ( 3673 PWs) bands (ev): -18.3068 -18.3068 -18.1521 -18.1521 -14.0411 -14.0411 -13.8844 -13.8844 -4.9554 -4.9554 -4.7538 -4.7538 -3.2205 -3.2205 -2.8280 -2.8280 -2.7936 -2.7936 -2.7471 -2.7471 -0.3453 -0.3453 -0.2159 -0.2159 1.7350 1.7350 1.8654 1.8654 2.1425 2.1425 2.5202 2.5202 2.7777 2.7777 3.4604 3.4604 9.1018 9.1018 9.3549 9.3549 9.8407 9.8407 10.3743 10.3743 11.6878 11.6878 12.5083 12.5083 k = 0.1163-0.0592-0.0181 ( 3668 PWs) bands (ev): -18.3039 -18.3039 -18.1512 -18.1512 -14.0401 -14.0401 -13.8871 -13.8871 -4.9630 -4.9630 -4.7576 -4.7576 -3.2363 -3.2363 -2.8381 -2.8381 -2.8058 -2.8058 -2.7502 -2.7502 -0.3352 -0.3352 -0.2113 -0.2113 1.7443 1.7443 1.8615 1.8615 2.1353 2.1353 2.5148 2.5148 2.8147 2.8147 3.4621 3.4621 9.0925 9.0925 9.3917 9.3917 9.8524 9.8524 10.3661 10.3661 11.6926 11.6926 12.5234 12.5234 k = 0.1279-0.0652-0.0199 ( 3675 PWs) bands (ev): -18.3008 -18.3008 -18.1503 -18.1503 -14.0392 -14.0392 -13.8900 -13.8900 -4.9713 -4.9713 -4.7619 -4.7619 -3.2533 -3.2533 -2.8508 -2.8508 -2.8167 -2.8167 -2.7536 -2.7536 -0.3254 -0.3254 -0.2069 -0.2069 1.7553 1.7553 1.8606 1.8606 2.1286 2.1286 2.5088 2.5088 2.8511 2.8511 3.4631 3.4631 9.0814 9.0814 9.4321 9.4321 9.8660 9.8660 10.3589 10.3589 11.6947 11.6947 12.5403 12.5403 k = 0.1395-0.0711-0.0217 ( 3675 PWs) bands (ev): -18.2974 -18.2974 -18.1493 -18.1493 -14.0381 -14.0381 -13.8931 -13.8931 -4.9801 -4.9801 -4.7666 -4.7666 -3.2712 -3.2712 -2.8655 -2.8655 -2.8265 -2.8265 -2.7574 -2.7574 -0.3162 -0.3162 -0.2029 -0.2029 1.7680 1.7680 1.8630 1.8630 2.1225 2.1225 2.5024 2.5024 2.8869 2.8869 3.4631 3.4631 9.0686 9.0686 9.4759 9.4759 9.8814 9.8814 10.3534 10.3534 11.6936 11.6936 12.5581 12.5581 k = 0.1512-0.0770-0.0235 ( 3675 PWs) bands (ev): -18.2937 -18.2937 -18.1482 -18.1482 -14.0370 -14.0370 -13.8964 -13.8964 -4.9893 -4.9893 -4.7719 -4.7719 -3.2900 -3.2900 -2.8815 -2.8815 -2.8358 -2.8358 -2.7618 -2.7618 -0.3078 -0.3078 -0.1990 -0.1990 1.7822 1.7822 1.8687 1.8687 2.1170 2.1170 2.4956 2.4956 2.9218 2.9218 3.4620 3.4620 9.0542 9.0542 9.5229 9.5229 9.8984 9.8984 10.3497 10.3497 11.6889 11.6889 12.5755 12.5755 k = 0.1628-0.0829-0.0253 ( 3678 PWs) bands (ev): -18.2899 -18.2899 -18.1471 -18.1471 -14.0359 -14.0359 -13.8999 -13.8999 -4.9988 -4.9988 -4.7776 -4.7776 -3.3093 -3.3093 -2.8980 -2.8980 -2.8451 -2.8451 -2.7669 -2.7669 -0.3002 -0.3002 -0.1953 -0.1953 1.7977 1.7977 1.8779 1.8779 2.1122 2.1122 2.4884 2.4884 2.9557 2.9557 3.4598 3.4598 9.0383 9.0383 9.5730 9.5730 9.9168 9.9168 10.3482 10.3482 11.6804 11.6804 12.5901 12.5901 k = 0.1744-0.0889-0.0271 ( 3674 PWs) bands (ev): -18.2859 -18.2859 -18.1460 -18.1460 -14.0348 -14.0348 -13.9035 -13.9035 -5.0086 -5.0086 -4.7839 -4.7839 -3.3290 -3.3290 -2.9148 -2.9148 -2.8546 -2.8546 -2.7728 -2.7728 -0.2936 -0.2936 -0.1915 -0.1915 1.8135 1.8135 1.8909 1.8909 2.1083 2.1083 2.4809 2.4809 2.9885 2.9885 3.4563 3.4563 9.0211 9.0211 9.6259 9.6259 9.9364 9.9364 10.3493 10.3493 11.6682 11.6682 12.5994 12.5994 k = 0.1860-0.0948-0.0290 ( 3674 PWs) bands (ev): -18.2817 -18.2817 -18.1448 -18.1448 -14.0336 -14.0336 -13.9072 -13.9072 -5.0186 -5.0186 -4.7907 -4.7907 -3.3488 -3.3488 -2.9316 -2.9316 -2.8645 -2.8645 -2.7795 -2.7795 -0.2880 -0.2880 -0.1873 -0.1873 1.8289 1.8289 1.9078 1.9078 2.1056 2.1056 2.4731 2.4731 3.0201 3.0201 3.4515 3.4515 9.0027 9.0027 9.6815 9.6815 9.9568 9.9568 10.3532 10.3532 11.6523 11.6523 12.6025 12.6025 k = 0.1977-0.1007-0.0308 ( 3676 PWs) bands (ev): -18.2773 -18.2773 -18.1437 -18.1437 -14.0324 -14.0324 -13.9111 -13.9111 -5.0287 -5.0287 -4.7979 -4.7979 -3.3685 -3.3685 -2.9483 -2.9483 -2.8749 -2.8749 -2.7871 -2.7871 -0.2833 -0.2833 -0.1826 -0.1826 1.8434 1.8434 1.9278 1.9278 2.1046 2.1046 2.4650 2.4650 3.0505 3.0505 3.4456 3.4456 8.9834 8.9834 9.7395 9.7395 9.9777 9.9777 10.3601 10.3601 11.6332 11.6332 12.6012 12.6012 k = 0.2093-0.1066-0.0326 ( 3674 PWs) bands (ev): -18.2728 -18.2728 -18.1425 -18.1425 -14.0312 -14.0312 -13.9150 -13.9150 -5.0388 -5.0388 -4.8057 -4.8057 -3.3880 -3.3880 -2.9649 -2.9649 -2.8857 -2.8857 -2.7955 -2.7955 -0.2793 -0.2793 -0.1772 -0.1772 1.8570 1.8570 1.9497 1.9497 2.1060 2.1060 2.4567 2.4567 3.0796 3.0796 3.4388 3.4388 8.9634 8.9634 9.7996 9.7996 9.9989 9.9989 10.3701 10.3701 11.6115 11.6115 12.5983 12.5983 k = 0.2209-0.1126-0.0344 ( 3675 PWs) bands (ev): -18.2681 -18.2681 -18.1413 -18.1413 -14.0300 -14.0300 -13.9190 -13.9190 -5.0488 -5.0488 -4.8140 -4.8140 -3.4070 -3.4070 -2.9812 -2.9812 -2.8970 -2.8970 -2.8049 -2.8049 -0.2760 -0.2760 -0.1710 -0.1710 1.8697 1.8697 1.9712 1.9712 2.1112 2.1112 2.4482 2.4482 3.1074 3.1074 3.4313 3.4313 8.9428 8.9428 9.8616 9.8616 10.0201 10.0201 10.3832 10.3832 11.5877 11.5877 12.5959 12.5959 k = 0.2326-0.1185-0.0362 ( 3672 PWs) bands (ev): -18.2634 -18.2634 -18.1401 -18.1401 -14.0288 -14.0288 -13.9230 -13.9230 -5.0586 -5.0586 -4.8228 -4.8228 -3.4252 -3.4252 -2.9974 -2.9974 -2.9088 -2.9088 -2.8150 -2.8150 -0.2728 -0.2728 -0.1640 -0.1640 1.8818 1.8818 1.9899 1.9899 2.1214 2.1214 2.4395 2.4395 3.1338 3.1338 3.4234 3.4234 8.9219 8.9219 9.9251 9.9251 10.0410 10.0410 10.3994 10.3994 11.5626 11.5626 12.5950 12.5950 k = 0.2442-0.1244-0.0380 ( 3671 PWs) bands (ev): -18.2586 -18.2586 -18.1389 -18.1389 -14.0276 -14.0276 -13.9270 -13.9270 -5.0682 -5.0682 -4.8321 -4.8321 -3.4427 -3.4427 -3.0135 -3.0135 -2.9212 -2.9212 -2.8259 -2.8259 -0.2695 -0.2695 -0.1563 -0.1563 1.8934 1.8934 2.0041 2.0041 2.1375 2.1375 2.4306 2.4306 3.1587 3.1587 3.4156 3.4156 8.9008 8.9008 9.9896 9.9896 10.0619 10.0619 10.4183 10.4183 11.5371 11.5371 12.5963 12.5963 k = 0.2558-0.1303-0.0398 ( 3670 PWs) bands (ev): -18.2537 -18.2537 -18.1378 -18.1378 -14.0265 -14.0265 -13.9311 -13.9311 -5.0774 -5.0774 -4.8418 -4.8418 -3.4591 -3.4591 -3.0296 -3.0296 -2.9341 -2.9341 -2.8373 -2.8373 -0.2658 -0.2658 -0.1479 -0.1479 1.9045 1.9045 2.0135 2.0135 2.1586 2.1586 2.4217 2.4217 3.1820 3.1820 3.4086 3.4086 8.8798 8.8798 10.0533 10.0533 10.0839 10.0839 10.4398 10.4398 11.5119 11.5119 12.5998 12.5998 k = 0.2674-0.1363-0.0416 ( 3669 PWs) bands (ev): -18.2488 -18.2488 -18.1367 -18.1367 -14.0254 -14.0254 -13.9351 -13.9351 -5.0861 -5.0861 -4.8520 -4.8520 -3.4745 -3.4745 -3.0457 -3.0457 -2.9474 -2.9474 -2.8491 -2.8491 -0.2614 -0.2614 -0.1389 -0.1389 1.9150 1.9150 2.0195 2.0195 2.1826 2.1826 2.4126 2.4126 3.2034 3.2034 3.4029 3.4029 8.8590 8.8590 10.0966 10.0966 10.1265 10.1265 10.4635 10.4635 11.4877 11.4877 12.6056 12.6056 k = 0.2791-0.1422-0.0434 ( 3676 PWs) bands (ev): -18.2438 -18.2438 -18.1357 -18.1357 -14.0244 -14.0244 -13.9390 -13.9390 -5.0943 -5.0943 -4.8626 -4.8626 -3.4886 -3.4886 -3.0620 -3.0620 -2.9612 -2.9612 -2.8612 -2.8612 -0.2562 -0.2562 -0.1292 -0.1292 1.9247 1.9247 2.0236 2.0236 2.2072 2.2072 2.4035 2.4035 3.2228 3.2228 3.3994 3.3994 8.8384 8.8384 10.1178 10.1178 10.1906 10.1906 10.4888 10.4888 11.4652 11.4652 12.6132 12.6132 k = 0.2907-0.1481-0.0452 ( 3674 PWs) bands (ev): -18.2389 -18.2389 -18.1347 -18.1347 -14.0234 -14.0234 -13.9429 -13.9429 -5.1020 -5.1020 -4.8736 -4.8736 -3.5013 -3.5013 -3.0787 -3.0787 -2.9752 -2.9752 -2.8732 -2.8732 -0.2501 -0.2501 -0.1189 -0.1189 1.9337 1.9337 2.0269 2.0269 2.2305 2.2305 2.3943 2.3943 3.2401 3.2401 3.3987 3.3987 8.8184 8.8184 10.1368 10.1368 10.2557 10.2557 10.5157 10.5157 11.4451 11.4451 12.6226 12.6226 k = 0.3023-0.1540-0.0471 ( 3672 PWs) bands (ev): -18.2340 -18.2340 -18.1338 -18.1338 -14.0224 -14.0224 -13.9467 -13.9467 -5.1089 -5.1089 -4.8850 -4.8850 -3.5127 -3.5127 -3.0958 -3.0958 -2.9894 -2.9894 -2.8851 -2.8851 -0.2431 -0.2431 -0.1080 -0.1080 1.9415 1.9415 2.0302 2.0302 2.2511 2.2511 2.3852 2.3852 3.2552 3.2552 3.4015 3.4015 8.7989 8.7989 10.1550 10.1550 10.3198 10.3198 10.5439 10.5439 11.4278 11.4278 12.6335 12.6335 k = 0.3140-0.1600-0.0489 ( 3675 PWs) bands (ev): -18.2292 -18.2292 -18.1329 -18.1329 -14.0215 -14.0215 -13.9504 -13.9504 -5.1151 -5.1151 -4.8966 -4.8966 -3.5226 -3.5226 -3.1136 -3.1136 -3.0036 -3.0036 -2.8967 -2.8967 -0.2354 -0.2354 -0.0964 -0.0964 1.9481 1.9481 2.0341 2.0341 2.2678 2.2678 2.3761 2.3761 3.2683 3.2683 3.4077 3.4077 8.7801 8.7801 10.1725 10.1725 10.3818 10.3818 10.5734 10.5734 11.4137 11.4137 12.6455 12.6455 k = 0.3256-0.1659-0.0507 ( 3675 PWs) bands (ev): -18.2245 -18.2245 -18.1322 -18.1322 -14.0207 -14.0207 -13.9539 -13.9539 -5.1204 -5.1204 -4.9086 -4.9086 -3.5309 -3.5309 -3.1323 -3.1323 -3.0173 -3.0173 -2.9078 -2.9078 -0.2271 -0.2271 -0.0840 -0.0840 1.9533 1.9533 2.0389 2.0389 2.2799 2.2799 2.3673 2.3673 3.2799 3.2799 3.4173 3.4173 8.7621 8.7621 10.1891 10.1891 10.4404 10.4404 10.6049 10.6049 11.4031 11.4031 12.6584 12.6584 k = 0.3372-0.1718-0.0525 ( 3681 PWs) bands (ev): -18.2198 -18.2198 -18.1315 -18.1315 -14.0199 -14.0199 -13.9573 -13.9573 -5.1250 -5.1250 -4.9207 -4.9207 -3.5377 -3.5377 -3.1518 -3.1518 -3.0305 -3.0305 -2.9184 -2.9184 -0.2184 -0.2184 -0.0709 -0.0709 1.9571 1.9571 2.0447 2.0447 2.2868 2.2868 2.3589 2.3589 3.2909 3.2909 3.4296 3.4296 8.7449 8.7449 10.2046 10.2046 10.4941 10.4941 10.6390 10.6390 11.3960 11.3960 12.6719 12.6719 k = 0.3488-0.1777-0.0543 ( 3681 PWs) bands (ev): -18.2153 -18.2153 -18.1309 -18.1309 -14.0192 -14.0192 -13.9605 -13.9605 -5.1286 -5.1286 -4.9331 -4.9331 -3.5429 -3.5429 -3.1723 -3.1723 -3.0430 -3.0430 -2.9284 -2.9284 -0.2095 -0.2095 -0.0569 -0.0569 1.9598 1.9598 2.0513 2.0513 2.2884 2.2884 2.3513 2.3513 3.3017 3.3017 3.4439 3.4439 8.7287 8.7287 10.2189 10.2189 10.5417 10.5417 10.6766 10.6766 11.3923 11.3923 12.6858 12.6858 k = 0.3605-0.1837-0.0561 ( 3677 PWs) bands (ev): -18.2110 -18.2110 -18.1304 -18.1304 -14.0186 -14.0186 -13.9636 -13.9636 -5.1312 -5.1312 -4.9456 -4.9456 -3.5464 -3.5464 -3.1937 -3.1937 -3.0545 -3.0545 -2.9377 -2.9377 -0.2008 -0.2008 -0.0421 -0.0421 1.9616 1.9616 2.0587 2.0587 2.2849 2.2849 2.3444 2.3444 3.3126 3.3126 3.4596 3.4596 8.7135 8.7135 10.2317 10.2317 10.5826 10.5826 10.7176 10.7176 11.3917 11.3917 12.6999 12.6999 k = 0.3721-0.1896-0.0579 ( 3675 PWs) bands (ev): -18.2068 -18.2068 -18.1300 -18.1300 -14.0180 -14.0180 -13.9665 -13.9665 -5.1329 -5.1329 -4.9581 -4.9581 -3.5482 -3.5482 -3.2159 -3.2159 -3.0651 -3.0651 -2.9463 -2.9463 -0.1924 -0.1924 -0.0267 -0.0267 1.9627 1.9627 2.0666 2.0666 2.2770 2.2770 2.3381 2.3381 3.3237 3.3237 3.4762 3.4762 8.6994 8.6994 10.2428 10.2428 10.6178 10.6178 10.7609 10.7609 11.3937 11.3937 12.7140 12.7140 k = 0.3837-0.1955-0.0597 ( 3675 PWs) bands (ev): -18.2028 -18.2028 -18.1298 -18.1298 -14.0175 -14.0175 -13.9691 -13.9691 -5.1336 -5.1336 -4.9707 -4.9707 -3.5484 -3.5484 -3.2385 -3.2385 -3.0746 -3.0746 -2.9543 -2.9543 -0.1846 -0.1846 -0.0108 -0.0108 1.9632 1.9632 2.0746 2.0746 2.2657 2.2657 2.3320 2.3320 3.3350 3.3350 3.4932 3.4932 8.6863 8.6863 10.2522 10.2522 10.6488 10.6488 10.8044 10.8044 11.3978 11.3978 12.7280 12.7280 k = 0.3953-0.2014-0.0615 ( 3674 PWs) bands (ev): -18.1991 -18.1991 -18.1296 -18.1296 -14.0170 -14.0170 -13.9715 -13.9715 -5.1333 -5.1333 -4.9832 -4.9832 -3.5470 -3.5470 -3.2615 -3.2615 -3.0831 -3.0831 -2.9615 -2.9615 -0.1774 -0.1774 0.0053 0.0053 1.9634 1.9634 2.0828 2.0828 2.2521 2.2521 2.3259 2.3259 3.3460 3.3460 3.5101 3.5101 8.6744 8.6744 10.2599 10.2599 10.6769 10.6769 10.8462 10.8462 11.4035 11.4035 12.7419 12.7419 k = 0.4070-0.2074-0.0633 ( 3674 PWs) bands (ev): -18.1956 -18.1956 -18.1294 -18.1294 -14.0166 -14.0166 -13.9737 -13.9737 -5.1320 -5.1320 -4.9957 -4.9957 -3.5439 -3.5439 -3.2846 -3.2846 -3.0906 -3.0906 -2.9681 -2.9681 -0.1709 -0.1709 0.0214 0.0214 1.9634 1.9634 2.0908 2.0908 2.2371 2.2371 2.3198 2.3198 3.3565 3.3565 3.5266 3.5266 8.6636 8.6636 10.2658 10.2658 10.7032 10.7032 10.8850 10.8850 11.4100 11.4100 12.7555 12.7555 k = 0.4186-0.2133-0.0652 ( 3674 PWs) bands (ev): -18.1925 -18.1925 -18.1294 -18.1294 -14.0163 -14.0163 -13.9757 -13.9757 -5.1297 -5.1297 -5.0079 -5.0079 -3.5392 -3.5392 -3.3075 -3.3075 -3.0971 -3.0971 -2.9738 -2.9738 -0.1652 -0.1652 0.0369 0.0369 1.9632 1.9632 2.0985 2.0985 2.2214 2.2214 2.3139 2.3139 3.3663 3.3663 3.5423 3.5423 8.6541 8.6541 10.2702 10.2702 10.7280 10.7280 10.9196 10.9196 11.4169 11.4169 12.7687 12.7687 k = 0.4302-0.2192-0.0670 ( 3676 PWs) bands (ev): -18.1896 -18.1896 -18.1294 -18.1294 -14.0160 -14.0160 -13.9774 -13.9774 -5.1264 -5.1264 -5.0198 -5.0198 -3.5329 -3.5329 -3.3299 -3.3299 -3.1027 -3.1027 -2.9789 -2.9789 -0.1603 -0.1603 0.0515 0.0515 1.9631 1.9631 2.1058 2.1058 2.2058 2.2058 2.3082 2.3082 3.3751 3.3751 3.5568 3.5568 8.6458 8.6458 10.2733 10.2733 10.7512 10.7512 10.9496 10.9496 11.4238 11.4238 12.7814 12.7814 k = 0.4419-0.2251-0.0688 ( 3677 PWs) bands (ev): -18.1871 -18.1871 -18.1295 -18.1295 -14.0157 -14.0157 -13.9788 -13.9788 -5.1223 -5.1223 -5.0314 -5.0314 -3.5252 -3.5252 -3.3516 -3.3516 -3.1074 -3.1074 -2.9831 -2.9831 -0.1561 -0.1561 0.0648 0.0648 1.9629 1.9629 2.1126 2.1126 2.1909 2.1909 2.3030 2.3030 3.3828 3.3828 3.5698 3.5698 8.6387 8.6387 10.2754 10.2754 10.7726 10.7726 10.9744 10.9744 11.4302 11.4302 12.7932 12.7932 k = 0.4535-0.2311-0.0706 ( 3677 PWs) bands (ev): -18.1850 -18.1850 -18.1296 -18.1296 -14.0155 -14.0155 -13.9800 -13.9800 -5.1174 -5.1174 -5.0425 -5.0425 -3.5162 -3.5162 -3.3722 -3.3722 -3.1112 -3.1112 -2.9866 -2.9866 -0.1528 -0.1528 0.0763 0.0763 1.9628 1.9628 2.1189 2.1189 2.1774 2.1774 2.2984 2.2984 3.3892 3.3892 3.5810 3.5810 8.6329 8.6329 10.2766 10.2766 10.7916 10.7916 10.9942 10.9942 11.4359 11.4359 12.8039 12.8039 k = 0.4651-0.2370-0.0724 ( 3681 PWs) bands (ev): -18.1834 -18.1834 -18.1297 -18.1297 -14.0154 -14.0154 -13.9810 -13.9810 -5.1117 -5.1117 -5.0530 -5.0530 -3.5062 -3.5062 -3.3914 -3.3914 -3.1141 -3.1141 -2.9894 -2.9894 -0.1502 -0.1502 0.0857 0.0857 1.9627 1.9627 2.1246 2.1246 2.1656 2.1656 2.2946 2.2946 3.3942 3.3942 3.5899 3.5899 8.6284 8.6284 10.2773 10.2773 10.8075 10.8075 11.0088 11.0088 11.4405 11.4405 12.8130 12.8130 k = 0.4767-0.2429-0.0742 ( 3679 PWs) bands (ev): -18.1822 -18.1822 -18.1298 -18.1298 -14.0153 -14.0153 -13.9816 -13.9816 -5.1058 -5.1058 -5.0624 -5.0624 -3.4959 -3.4959 -3.4083 -3.4083 -3.1162 -3.1162 -2.9914 -2.9914 -0.1484 -0.1484 0.0927 0.0927 1.9627 1.9627 2.1298 2.1298 2.1558 2.1558 2.2918 2.2918 3.3979 3.3979 3.5965 3.5965 8.6252 8.6252 10.2777 10.2777 10.8196 10.8196 11.0189 11.0189 11.4440 11.4440 12.8199 12.8199 k = 0.4884-0.2488-0.0760 ( 3676 PWs) bands (ev): -18.1814 -18.1814 -18.1298 -18.1298 -14.0152 -14.0152 -13.9820 -13.9820 -5.1003 -5.1003 -5.0700 -5.0700 -3.4870 -3.4870 -3.4213 -3.4213 -3.1175 -3.1175 -2.9925 -2.9925 -0.1473 -0.1473 0.0969 0.0969 1.9626 1.9626 2.1347 2.1347 2.1480 2.1480 2.2900 2.2900 3.4001 3.4001 3.6006 3.6006 8.6232 8.6232 10.2778 10.2778 10.8272 10.8272 11.0247 11.0247 11.4462 11.4462 12.8243 12.8243 k = 0.5000-0.2548-0.0778 ( 3676 PWs) bands (ev): -18.1812 -18.1812 -18.1299 -18.1299 -14.0152 -14.0152 -13.9821 -13.9821 -5.0977 -5.0977 -5.0733 -5.0733 -3.4830 -3.4830 -3.4266 -3.4266 -3.1179 -3.1179 -2.9929 -2.9929 -0.1469 -0.1469 0.0984 0.0984 1.9626 1.9626 2.1382 2.1382 2.1436 2.1436 2.2894 2.2894 3.4008 3.4008 3.6019 3.6019 8.6226 8.6226 10.2778 10.2778 10.8298 10.8298 11.0266 11.0266 11.4469 11.4469 12.8258 12.8258 k = 0.5000-0.2548 0.2228 ( 3644 PWs) bands (ev): -18.1596 -18.1596 -18.1515 -18.1515 -14.0379 -14.0379 -13.9593 -13.9593 -5.2824 -5.2824 -4.8971 -4.8971 -3.7582 -3.7582 -3.2394 -3.2394 -3.1043 -3.1043 -2.7092 -2.7092 -0.4095 -0.4095 0.0047 0.0047 1.7230 1.7230 2.1160 2.1160 2.3910 2.3910 2.7469 2.7469 2.9842 2.9842 3.7299 3.7299 8.1859 8.1859 10.3250 10.3250 10.9682 10.9682 11.3468 11.3468 11.9016 11.9016 12.9600 12.9600 k = 0.4891-0.2492 0.2180 ( 3650 PWs) bands (ev): -18.1599 -18.1599 -18.1514 -18.1514 -14.0377 -14.0377 -13.9594 -13.9594 -5.2820 -5.2820 -4.8969 -4.8969 -3.7576 -3.7576 -3.2392 -3.2392 -3.1039 -3.1039 -2.7093 -2.7093 -0.4092 -0.4092 0.0046 0.0046 1.7238 1.7238 2.1152 2.1152 2.3896 2.3896 2.7450 2.7450 2.9864 2.9864 3.7293 3.7293 8.1878 8.1878 10.3217 10.3217 10.9648 10.9648 11.3455 11.3455 11.9056 11.9056 12.9521 12.9521 k = 0.4783-0.2437 0.2131 ( 3653 PWs) bands (ev): -18.1609 -18.1609 -18.1510 -18.1510 -14.0371 -14.0371 -13.9596 -13.9596 -5.2806 -5.2806 -4.8962 -4.8962 -3.7558 -3.7558 -3.2384 -3.2384 -3.1027 -3.1027 -2.7095 -2.7095 -0.4081 -0.4081 0.0044 0.0044 1.7261 1.7261 2.1129 2.1129 2.3855 2.3855 2.7395 2.7395 2.9929 2.9929 3.7275 3.7275 8.1935 8.1935 10.3119 10.3119 10.9547 10.9547 11.3415 11.3415 11.9172 11.9172 12.9296 12.9296 k = 0.4674-0.2381 0.2083 ( 3654 PWs) bands (ev): -18.1624 -18.1624 -18.1506 -18.1506 -14.0362 -14.0362 -13.9601 -13.9601 -5.2784 -5.2784 -4.8952 -4.8952 -3.7527 -3.7527 -3.2370 -3.2370 -3.1008 -3.1008 -2.7099 -2.7099 -0.4064 -0.4064 0.0039 0.0039 1.7299 1.7299 2.1090 2.1090 2.3788 2.3788 2.7308 2.7308 3.0032 3.0032 3.7246 3.7246 8.2030 8.2030 10.2960 10.2960 10.9381 10.9381 11.3350 11.3350 11.9356 11.9356 12.8955 12.8955 k = 0.4565-0.2326 0.2034 ( 3655 PWs) bands (ev): -18.1642 -18.1642 -18.1501 -18.1501 -14.0348 -14.0348 -13.9607 -13.9607 -5.2753 -5.2753 -4.8938 -4.8938 -3.7485 -3.7485 -3.2352 -3.2352 -3.0980 -3.0980 -2.7104 -2.7104 -0.4041 -0.4041 0.0033 0.0033 1.7352 1.7352 2.1038 2.1038 2.3697 2.3697 2.7193 2.7193 3.0167 3.0167 3.7204 3.7204 8.2163 8.2163 10.2745 10.2745 10.9155 10.9155 11.3260 11.3260 11.9595 11.9595 12.8534 12.8534 k = 0.4457-0.2271 0.1986 ( 3654 PWs) bands (ev): -18.1664 -18.1664 -18.1497 -18.1497 -14.0331 -14.0331 -13.9615 -13.9615 -5.2713 -5.2713 -4.8919 -4.8919 -3.7431 -3.7431 -3.2327 -3.2327 -3.0945 -3.0945 -2.7111 -2.7111 -0.4010 -0.4010 0.0025 0.0025 1.7421 1.7421 2.0973 2.0973 2.3584 2.3584 2.7055 2.7055 3.0326 3.0326 3.7150 3.7150 8.2332 8.2332 10.2483 10.2483 10.8873 10.8873 11.3145 11.3145 11.9873 11.9873 12.8068 12.8068 k = 0.4348-0.2215 0.1938 ( 3649 PWs) bands (ev): -18.1689 -18.1689 -18.1493 -18.1493 -14.0311 -14.0311 -13.9624 -13.9624 -5.2664 -5.2664 -4.8897 -4.8897 -3.7365 -3.7365 -3.2297 -3.2297 -3.0903 -3.0903 -2.7119 -2.7119 -0.3974 -0.3974 0.0014 0.0014 1.7503 1.7503 2.0897 2.0897 2.3452 2.3452 2.6896 2.6896 3.0504 3.0504 3.7084 3.7084 8.2538 8.2538 10.2180 10.2180 10.8540 10.8540 11.3008 11.3008 12.0168 12.0168 12.7589 12.7589 k = 0.4239-0.2160 0.1889 ( 3655 PWs) bands (ev): -18.1717 -18.1717 -18.1490 -18.1490 -14.0287 -14.0287 -13.9635 -13.9635 -5.2608 -5.2608 -4.8871 -4.8871 -3.7287 -3.7287 -3.2261 -3.2261 -3.0853 -3.0853 -2.7129 -2.7129 -0.3932 -0.3932 0.0000 0.0000 1.7599 1.7599 2.0811 2.0811 2.3301 2.3301 2.6719 2.6719 3.0696 3.0696 3.7004 3.7004 8.2778 8.2778 10.1846 10.1846 10.8161 10.8161 11.2849 11.2849 12.0451 12.0451 12.7130 12.7130 k = 0.4130-0.2104 0.1841 ( 3657 PWs) bands (ev): -18.1748 -18.1748 -18.1488 -18.1488 -14.0260 -14.0260 -13.9648 -13.9648 -5.2543 -5.2543 -4.8842 -4.8842 -3.7198 -3.7198 -3.2219 -3.2219 -3.0797 -3.0797 -2.7140 -2.7140 -0.3884 -0.3884 -0.0016 -0.0016 1.7709 1.7709 2.0718 2.0718 2.3136 2.3136 2.6526 2.6526 3.0899 3.0899 3.6912 3.6912 8.3052 8.3052 10.1487 10.1487 10.7742 10.7742 11.2670 11.2670 12.0688 12.0688 12.6726 12.6726 k = 0.4022-0.2049 0.1792 ( 3660 PWs) bands (ev): -18.1782 -18.1782 -18.1487 -18.1487 -14.0230 -14.0230 -13.9662 -13.9662 -5.2472 -5.2472 -4.8809 -4.8809 -3.7097 -3.7097 -3.2170 -3.2170 -3.0733 -3.0733 -2.7152 -2.7152 -0.3831 -0.3831 -0.0037 -0.0037 1.7831 1.7831 2.0619 2.0619 2.2959 2.2959 2.6317 2.6317 3.1107 3.1107 3.6806 3.6806 8.3358 8.3358 10.1113 10.1113 10.7288 10.7288 11.2471 11.2471 12.0841 12.0841 12.6417 12.6417 k = 0.3913-0.1994 0.1744 ( 3661 PWs) bands (ev): -18.1818 -18.1818 -18.1486 -18.1486 -14.0198 -14.0198 -13.9676 -13.9676 -5.2393 -5.2393 -4.8772 -4.8772 -3.6986 -3.6986 -3.2115 -3.2115 -3.0664 -3.0664 -2.7166 -2.7166 -0.3773 -0.3773 -0.0061 -0.0061 1.7965 1.7965 2.0517 2.0517 2.2772 2.2772 2.6095 2.6095 3.1319 3.1319 3.6686 3.6686 8.3694 8.3694 10.0728 10.0728 10.6802 10.6802 11.2254 11.2254 12.0868 12.0868 12.6238 12.6238 k = 0.3804-0.1938 0.1695 ( 3660 PWs) bands (ev): -18.1856 -18.1856 -18.1486 -18.1486 -14.0163 -14.0163 -13.9692 -13.9692 -5.2307 -5.2307 -4.8733 -4.8733 -3.6863 -3.6863 -3.2053 -3.2053 -3.0589 -3.0589 -2.7180 -2.7180 -0.3712 -0.3712 -0.0090 -0.0090 1.8109 1.8109 2.0413 2.0413 2.2578 2.2578 2.5859 2.5859 3.1531 3.1531 3.6552 3.6552 8.4059 8.4059 10.0340 10.0340 10.6291 10.6291 11.2020 11.2020 12.0749 12.0749 12.6209 12.6209 k = 0.3696-0.1883 0.1647 ( 3660 PWs) bands (ev): -18.1897 -18.1897 -18.1486 -18.1486 -14.0127 -14.0127 -13.9707 -13.9707 -5.2215 -5.2215 -4.8691 -4.8691 -3.6730 -3.6730 -3.1984 -3.1984 -3.0507 -3.0507 -2.7195 -2.7195 -0.3647 -0.3647 -0.0123 -0.0123 1.8261 1.8261 2.0311 2.0311 2.2380 2.2380 2.5610 2.5610 3.1741 3.1741 3.6405 3.6405 8.4449 8.4449 9.9953 9.9953 10.5759 10.5759 11.1771 11.1771 12.0490 12.0490 12.6319 12.6319 k = 0.3587-0.1828 0.1598 ( 3660 PWs) bands (ev): -18.1940 -18.1940 -18.1487 -18.1487 -14.0090 -14.0090 -13.9722 -13.9722 -5.2118 -5.2118 -4.8646 -4.8646 -3.6587 -3.6587 -3.1908 -3.1908 -3.0421 -3.0421 -2.7211 -2.7211 -0.3579 -0.3579 -0.0162 -0.0162 1.8420 1.8420 2.0211 2.0211 2.2182 2.2182 2.5349 2.5349 3.1946 3.1946 3.6244 3.6244 8.4863 8.4863 9.9573 9.9573 10.5209 10.5209 11.1509 11.1509 12.0119 12.0119 12.6536 12.6536 k = 0.3478-0.1772 0.1550 ( 3661 PWs) bands (ev): -18.1984 -18.1984 -18.1488 -18.1488 -14.0053 -14.0053 -13.9736 -13.9736 -5.2015 -5.2015 -4.8599 -4.8599 -3.6434 -3.6434 -3.1825 -3.1825 -3.0330 -3.0330 -2.7228 -2.7228 -0.3509 -0.3509 -0.0207 -0.0207 1.8582 1.8582 2.0116 2.0116 2.1986 2.1986 2.5078 2.5078 3.2144 3.2144 3.6070 3.6070 8.5296 8.5296 9.9204 9.9204 10.4647 10.4647 11.1234 11.1234 11.9671 11.9671 12.6821 12.6821 k = 0.3370-0.1717 0.1502 ( 3664 PWs) bands (ev): -18.2031 -18.2031 -18.1489 -18.1489 -14.0019 -14.0019 -13.9746 -13.9746 -5.1908 -5.1908 -4.8550 -4.8550 -3.6272 -3.6272 -3.1734 -3.1734 -3.0234 -3.0234 -2.7245 -2.7245 -0.3438 -0.3438 -0.0257 -0.0257 1.8742 1.8742 2.0030 2.0030 2.1797 2.1797 2.4796 2.4796 3.2333 3.2333 3.5883 3.5883 8.5746 8.5746 9.8850 9.8850 10.4076 10.4076 11.0948 11.0948 11.9177 11.9177 12.7139 12.7139 k = 0.3261-0.1661 0.1453 ( 3662 PWs) bands (ev): -18.2079 -18.2079 -18.1491 -18.1491 -13.9991 -13.9991 -13.9749 -13.9749 -5.1796 -5.1796 -4.8500 -4.8500 -3.6101 -3.6101 -3.1635 -3.1635 -3.0134 -3.0134 -2.7262 -2.7262 -0.3366 -0.3366 -0.0314 -0.0314 1.8892 1.8892 1.9958 1.9958 2.1620 2.1620 2.4506 2.4506 3.2508 3.2508 3.5685 3.5685 8.6207 8.6207 9.8514 9.8514 10.3501 10.3501 11.0653 11.0653 11.8661 11.8661 12.7463 12.7463 k = 0.3152-0.1606 0.1405 ( 3665 PWs) bands (ev): -18.2128 -18.2128 -18.1494 -18.1494 -13.9973 -13.9973 -13.9742 -13.9742 -5.1681 -5.1681 -4.8447 -4.8447 -3.5921 -3.5921 -3.1528 -3.1528 -3.0031 -3.0031 -2.7280 -2.7280 -0.3296 -0.3296 -0.0377 -0.0377 1.9017 1.9017 1.9910 1.9910 2.1462 2.1462 2.4208 2.4208 3.2668 3.2668 3.5479 3.5479 8.6676 8.6676 9.8199 9.8199 10.2926 10.2926 11.0351 11.0351 11.8138 11.8138 12.7775 12.7775 k = 0.3043-0.1551 0.1356 ( 3664 PWs) bands (ev): -18.2179 -18.2179 -18.1496 -18.1496 -13.9967 -13.9967 -13.9722 -13.9722 -5.1564 -5.1564 -4.8394 -4.8394 -3.5735 -3.5735 -3.1414 -3.1414 -2.9924 -2.9924 -2.7298 -2.7298 -0.3226 -0.3226 -0.0446 -0.0446 1.9099 1.9099 1.9899 1.9899 2.1330 2.1330 2.3905 2.3905 3.2805 3.2805 3.5269 3.5269 8.7146 8.7146 9.7908 9.7908 10.2353 10.2353 11.0043 11.0043 11.7623 11.7623 12.8059 12.8059 k = 0.2935-0.1495 0.1308 ( 3663 PWs) bands (ev): -18.2231 -18.2231 -18.1499 -18.1499 -13.9973 -13.9973 -13.9689 -13.9689 -5.1443 -5.1443 -4.8339 -4.8339 -3.5542 -3.5542 -3.1291 -3.1291 -2.9815 -2.9815 -2.7316 -2.7316 -0.3160 -0.3160 -0.0522 -0.0522 1.9118 1.9118 1.9935 1.9935 2.1234 2.1234 2.3597 2.3597 3.2915 3.2915 3.5061 3.5061 8.7613 8.7613 9.7642 9.7642 10.1789 10.1789 10.9731 10.9731 11.7126 11.7126 12.8304 12.8304 k = 0.2826-0.1440 0.1259 ( 3667 PWs) bands (ev): -18.2283 -18.2283 -18.1501 -18.1501 -13.9987 -13.9987 -13.9648 -13.9648 -5.1322 -5.1322 -4.8284 -4.8284 -3.5342 -3.5342 -3.1160 -3.1160 -2.9704 -2.9704 -2.7335 -2.7335 -0.3097 -0.3097 -0.0603 -0.0603 1.9080 1.9080 2.0005 2.0005 2.1183 2.1183 2.3288 2.3288 3.2984 3.2984 3.4865 3.4865 8.8068 8.8068 9.7402 9.7402 10.1238 10.1238 10.9416 10.9416 11.6653 11.6653 12.8503 12.8503 k = 0.2717-0.1385 0.1211 ( 3670 PWs) bands (ev): -18.2336 -18.2336 -18.1504 -18.1504 -14.0006 -14.0006 -13.9602 -13.9602 -5.1199 -5.1199 -4.8229 -4.8229 -3.5138 -3.5138 -3.1021 -3.1021 -2.9591 -2.9591 -2.7352 -2.7352 -0.3039 -0.3039 -0.0691 -0.0691 1.9000 1.9000 2.0084 2.0084 2.1185 2.1185 2.2980 2.2980 3.2999 3.2999 3.4696 3.4696 8.8507 8.8507 9.7187 9.7187 10.0705 10.0705 10.9100 10.9100 11.6213 11.6213 12.8651 12.8651 k = 0.2609-0.1329 0.1163 ( 3672 PWs) bands (ev): -18.2389 -18.2389 -18.1508 -18.1508 -14.0028 -14.0028 -13.9553 -13.9553 -5.1075 -5.1075 -4.8173 -4.8173 -3.4930 -3.4930 -3.0874 -3.0874 -2.9477 -2.9477 -2.7370 -2.7370 -0.2988 -0.2988 -0.0783 -0.0783 1.8895 1.8895 2.0155 2.0155 2.1239 2.1239 2.2681 2.2681 3.2944 3.2944 3.4569 3.4569 8.8922 8.8922 9.6995 9.6995 10.0199 10.0199 10.8785 10.8785 11.5812 11.5812 12.8746 12.8746 k = 0.2500-0.1274 0.1114 ( 3673 PWs) bands (ev): -18.2442 -18.2442 -18.1511 -18.1511 -14.0052 -14.0052 -13.9502 -13.9502 -5.0952 -5.0952 -4.8118 -4.8118 -3.4718 -3.4718 -3.0719 -3.0719 -2.9362 -2.9362 -2.7387 -2.7387 -0.2944 -0.2944 -0.0880 -0.0880 1.8775 1.8775 2.0211 2.0211 2.1327 2.1327 2.2401 2.2401 3.2810 3.2810 3.4494 3.4494 8.9306 8.9306 9.6818 9.6818 9.9727 9.9727 10.8472 10.8472 11.5455 11.5455 12.8787 12.8787 k = 0.2391-0.1218 0.1066 ( 3666 PWs) bands (ev): -18.2494 -18.2494 -18.1514 -18.1514 -14.0077 -14.0077 -13.9450 -13.9450 -5.0829 -5.0829 -4.8063 -4.8063 -3.4505 -3.4505 -3.0557 -3.0557 -2.9248 -2.9248 -2.7404 -2.7404 -0.2909 -0.2909 -0.0981 -0.0981 1.8649 1.8649 2.0260 2.0260 2.1406 2.1406 2.2176 2.2176 3.2604 3.2604 3.4466 3.4466 8.9655 8.9655 9.6647 9.6647 9.9304 9.9304 10.8163 10.8163 11.5148 11.5148 12.8775 12.8775 k = 0.2283-0.1163 0.1017 ( 3667 PWs) bands (ev): -18.2547 -18.2547 -18.1517 -18.1517 -14.0102 -14.0102 -13.9398 -13.9398 -5.0707 -5.0707 -4.8009 -4.8009 -3.4291 -3.4291 -3.0386 -3.0386 -2.9134 -2.9134 -2.7419 -2.7419 -0.2884 -0.2884 -0.1084 -0.1084 1.8522 1.8522 2.0304 2.0304 2.1381 2.1381 2.2089 2.2089 3.2339 3.2339 3.4469 3.4469 8.9964 8.9964 9.6465 9.6465 9.8943 9.8943 10.7859 10.7859 11.4895 11.4895 12.8714 12.8714 k = 0.2174-0.1108 0.0969 ( 3670 PWs) bands (ev): -18.2598 -18.2598 -18.1520 -18.1520 -14.0128 -14.0128 -13.9345 -13.9345 -5.0587 -5.0587 -4.7956 -4.7956 -3.4078 -3.4078 -3.0209 -3.0209 -2.9021 -2.9021 -2.7434 -2.7434 -0.2871 -0.2871 -0.1189 -0.1189 1.8399 1.8399 2.0345 2.0345 2.1218 2.1218 2.2172 2.2172 3.2032 3.2032 3.4490 3.4490 9.0231 9.0231 9.6256 9.6256 9.8659 9.8659 10.7562 10.7562 11.4700 11.4700 12.8606 12.8606 k = 0.2065-0.1052 0.0920 ( 3671 PWs) bands (ev): -18.2649 -18.2649 -18.1524 -18.1524 -14.0155 -14.0155 -13.9293 -13.9293 -5.0469 -5.0469 -4.7905 -4.7905 -3.3866 -3.3866 -3.0026 -3.0026 -2.8910 -2.8910 -2.7448 -2.7448 -0.2871 -0.2871 -0.1294 -0.1294 1.8283 1.8283 2.0370 2.0370 2.1010 2.1010 2.2342 2.2342 3.1694 3.1694 3.4518 3.4518 9.0458 9.0458 9.6006 9.6006 9.8459 9.8459 10.7272 10.7272 11.4565 11.4565 12.8455 12.8455 k = 0.1957-0.0997 0.0872 ( 3670 PWs) bands (ev): -18.2698 -18.2698 -18.1527 -18.1527 -14.0181 -14.0181 -13.9242 -13.9242 -5.0354 -5.0354 -4.7855 -4.7855 -3.3657 -3.3657 -2.9837 -2.9837 -2.8801 -2.8801 -2.7460 -2.7460 -0.2884 -0.2884 -0.1398 -0.1398 1.8178 1.8178 2.0338 2.0338 2.0850 2.0850 2.2544 2.2544 3.1334 3.1334 3.4547 3.4547 9.0646 9.0646 9.5716 9.5716 9.8336 9.8336 10.6991 10.6991 11.4491 11.4491 12.8264 12.8264 k = 0.1848-0.0941 0.0823 ( 3673 PWs) bands (ev): -18.2747 -18.2747 -18.1530 -18.1530 -14.0206 -14.0206 -13.9193 -13.9193 -5.0243 -5.0243 -4.7807 -4.7807 -3.3453 -3.3453 -2.9644 -2.9644 -2.8695 -2.8695 -2.7471 -2.7471 -0.2911 -0.2911 -0.1499 -0.1499 1.8084 1.8084 2.0202 2.0202 2.0805 2.0805 2.2758 2.2758 3.0956 3.0956 3.4573 3.4573 9.0799 9.0799 9.5396 9.5396 9.8275 9.8275 10.6721 10.6721 11.4477 11.4477 12.8025 12.8025 k = 0.1739-0.0886 0.0775 ( 3675 PWs) bands (ev): -18.2793 -18.2793 -18.1533 -18.1533 -14.0231 -14.0231 -13.9144 -13.9144 -5.0135 -5.0135 -4.7760 -4.7760 -3.3253 -3.3253 -2.9448 -2.9448 -2.8593 -2.8593 -2.7479 -2.7479 -0.2953 -0.2953 -0.1597 -0.1597 1.8003 1.8003 1.9996 1.9996 2.0847 2.0847 2.2976 2.2976 3.0566 3.0566 3.4594 3.4594 9.0923 9.0923 9.5058 9.5058 9.8254 9.8254 10.6461 10.6461 11.4519 11.4519 12.7708 12.7708 k = 0.1630-0.0831 0.0727 ( 3672 PWs) bands (ev): -18.2838 -18.2838 -18.1536 -18.1536 -14.0255 -14.0255 -13.9098 -13.9098 -5.0031 -5.0031 -4.7716 -4.7716 -3.3060 -3.3060 -2.9250 -2.9250 -2.8494 -2.8494 -2.7486 -2.7486 -0.3009 -0.3009 -0.1689 -0.1689 1.7934 1.7934 1.9775 1.9775 2.0926 2.0926 2.3193 2.3193 3.0167 3.0167 3.4608 3.4608 9.1021 9.1021 9.4714 9.4714 9.8255 9.8255 10.6214 10.6214 11.4613 11.4613 12.7340 12.7340 k = 0.1522-0.0775 0.0678 ( 3678 PWs) bands (ev): -18.2881 -18.2881 -18.1539 -18.1539 -14.0278 -14.0278 -13.9053 -13.9053 -4.9931 -4.9931 -4.7675 -4.7675 -3.2875 -3.2875 -2.9054 -2.9054 -2.8398 -2.8398 -2.7490 -2.7490 -0.3078 -0.3078 -0.1777 -0.1777 1.7876 1.7876 1.9563 1.9563 2.1022 2.1022 2.3406 2.3406 2.9761 2.9761 3.4615 3.4615 9.1099 9.1099 9.4375 9.4375 9.8265 9.8265 10.5980 10.5980 11.4749 11.4749 12.6986 12.6986 k = 0.1413-0.0720 0.0630 ( 3675 PWs) bands (ev): -18.2922 -18.2922 -18.1542 -18.1542 -14.0301 -14.0301 -13.9010 -13.9010 -4.9837 -4.9837 -4.7635 -4.7635 -3.2698 -3.2698 -2.8861 -2.8861 -2.8306 -2.8306 -2.7492 -2.7492 -0.3158 -0.3158 -0.1860 -0.1860 1.7824 1.7824 1.9372 1.9372 2.1127 2.1127 2.3614 2.3614 2.9353 2.9353 3.4615 3.4615 9.1161 9.1161 9.4047 9.4047 9.8274 9.8274 10.5760 10.5760 11.4918 11.4918 12.6664 12.6664 k = 0.1304-0.0665 0.0581 ( 3668 PWs) bands (ev): -18.2961 -18.2961 -18.1544 -18.1544 -14.0322 -14.0322 -13.8970 -13.8970 -4.9748 -4.9748 -4.7599 -4.7599 -3.2530 -3.2530 -2.8677 -2.8677 -2.8215 -2.8215 -2.7489 -2.7489 -0.3247 -0.3247 -0.1938 -0.1938 1.7773 1.7773 1.9211 1.9211 2.1238 2.1238 2.3813 2.3813 2.8945 2.8945 3.4610 3.4610 9.1211 9.1211 9.3735 9.3735 9.8277 9.8277 10.5554 10.5554 11.5106 11.5106 12.6374 12.6374 k = 0.1196-0.0609 0.0533 ( 3665 PWs) bands (ev): -18.2997 -18.2997 -18.1547 -18.1547 -14.0342 -14.0342 -13.8932 -13.8932 -4.9664 -4.9664 -4.7565 -4.7565 -3.2372 -3.2372 -2.8509 -2.8509 -2.8122 -2.8122 -2.7483 -2.7483 -0.3343 -0.3343 -0.2011 -0.2011 1.7717 1.7717 1.9088 1.9088 2.1351 2.1351 2.4002 2.4002 2.8541 2.8541 3.4599 3.4599 9.1249 9.1249 9.3443 9.3443 9.8271 9.8271 10.5363 10.5363 11.5303 11.5303 12.6109 12.6109 k = 0.1087-0.0554 0.0484 ( 3668 PWs) bands (ev): -18.3030 -18.3030 -18.1549 -18.1549 -14.0360 -14.0360 -13.8897 -13.8897 -4.9587 -4.9587 -4.7533 -4.7533 -3.2226 -3.2226 -2.8365 -2.8365 -2.8020 -2.8020 -2.7473 -2.7473 -0.3442 -0.3442 -0.2079 -0.2079 1.7651 1.7651 1.9008 1.9008 2.1463 2.1463 2.4180 2.4180 2.8142 2.8142 3.4584 3.4584 9.1279 9.1279 9.3174 9.3174 9.8256 9.8256 10.5188 10.5188 11.5495 11.5495 12.5861 12.5861 k = 0.0978-0.0498 0.0436 ( 3665 PWs) bands (ev): -18.3061 -18.3061 -18.1551 -18.1551 -14.0377 -14.0377 -13.8865 -13.8865 -4.9516 -4.9516 -4.7505 -4.7505 -3.2091 -3.2091 -2.8253 -2.8253 -2.7905 -2.7905 -2.7457 -2.7457 -0.3543 -0.3543 -0.2142 -0.2142 1.7573 1.7573 1.8973 1.8973 2.1574 2.1574 2.4346 2.4346 2.7755 2.7755 3.4565 3.4565 9.1301 9.1301 9.2930 9.2930 9.8234 9.8234 10.5028 10.5028 11.5673 11.5673 12.5628 12.5628 k = 0.0870-0.0443 0.0388 ( 3665 PWs) bands (ev): -18.3088 -18.3088 -18.1553 -18.1553 -14.0393 -14.0393 -13.8836 -13.8836 -4.9451 -4.9451 -4.7480 -4.7480 -3.1969 -3.1969 -2.8172 -2.8172 -2.7782 -2.7782 -2.7434 -2.7434 -0.3641 -0.3641 -0.2200 -0.2200 1.7485 1.7485 1.8978 1.8978 2.1680 2.1680 2.4498 2.4498 2.7382 2.7382 3.4543 3.4543 9.1315 9.1315 9.2714 9.2714 9.8206 9.8206 10.4885 10.4885 11.5830 11.5830 12.5409 12.5409 k = 0.0761-0.0388 0.0339 ( 3668 PWs) bands (ev): -18.3113 -18.3113 -18.1555 -18.1555 -14.0406 -14.0406 -13.8810 -13.8810 -4.9394 -4.9394 -4.7457 -4.7457 -3.1859 -3.1859 -2.8116 -2.8116 -2.7665 -2.7665 -2.7402 -2.7402 -0.3735 -0.3735 -0.2253 -0.2253 1.7393 1.7393 1.9016 1.9016 2.1780 2.1780 2.4634 2.4634 2.7029 2.7029 3.4521 3.4521 9.1321 9.1321 9.2528 9.2528 9.8174 9.8174 10.4758 10.4758 11.5962 11.5962 12.5208 12.5208 k = 0.0652-0.0332 0.0291 ( 3663 PWs) bands (ev): -18.3135 -18.3135 -18.1556 -18.1556 -14.0419 -14.0419 -13.8787 -13.8787 -4.9344 -4.9344 -4.7438 -4.7438 -3.1763 -3.1763 -2.8075 -2.8075 -2.7569 -2.7569 -2.7353 -2.7353 -0.3822 -0.3822 -0.2300 -0.2300 1.7302 1.7302 1.9076 1.9076 2.1872 2.1872 2.4756 2.4756 2.6701 2.6701 3.4498 3.4498 9.1319 9.1319 9.2372 9.2372 9.8141 9.8141 10.4648 10.4648 11.6067 11.6067 12.5028 12.5028 k = 0.0543-0.0277 0.0242 ( 3662 PWs) bands (ev): -18.3153 -18.3153 -18.1557 -18.1557 -14.0429 -14.0429 -13.8768 -13.8768 -4.9301 -4.9301 -4.7421 -4.7421 -3.1681 -3.1681 -2.8046 -2.8046 -2.7505 -2.7505 -2.7287 -2.7287 -0.3900 -0.3900 -0.2342 -0.2342 1.7219 1.7219 1.9149 1.9149 2.1954 2.1954 2.4861 2.4861 2.6403 2.6403 3.4477 3.4477 9.1309 9.1309 9.2247 9.2247 9.8109 9.8109 10.4555 10.4555 11.6147 11.6147 12.4870 12.4870 k = 0.0435-0.0222 0.0194 ( 3664 PWs) bands (ev): -18.3169 -18.3169 -18.1558 -18.1558 -14.0437 -14.0437 -13.8752 -13.8752 -4.9265 -4.9265 -4.7408 -4.7408 -3.1613 -3.1613 -2.8026 -2.8026 -2.7465 -2.7465 -2.7212 -2.7212 -0.3966 -0.3966 -0.2376 -0.2376 1.7146 1.7146 1.9225 1.9225 2.2025 2.2025 2.4950 2.4950 2.6143 2.6143 3.4457 3.4457 9.1294 9.1294 9.2153 9.2153 9.8079 9.8079 10.4478 10.4478 11.6205 11.6205 12.4738 12.4738 k = 0.0326-0.0166 0.0145 ( 3667 PWs) bands (ev): -18.3181 -18.3181 -18.1559 -18.1559 -14.0444 -14.0444 -13.8739 -13.8739 -4.9237 -4.9237 -4.7398 -4.7398 -3.1560 -3.1560 -2.8012 -2.8012 -2.7440 -2.7440 -2.7145 -2.7145 -0.4020 -0.4020 -0.2404 -0.2404 1.7086 1.7086 1.9296 1.9296 2.2083 2.2083 2.5021 2.5021 2.5928 2.5928 3.4441 3.4441 9.1275 9.1275 9.2085 9.2085 9.8054 9.8054 10.4418 10.4418 11.6245 11.6245 12.4633 12.4633 k = 0.0217-0.0111 0.0097 ( 3671 PWs) bands (ev): -18.3189 -18.3189 -18.1560 -18.1560 -14.0449 -14.0449 -13.8730 -13.8730 -4.9217 -4.9217 -4.7390 -4.7390 -3.1522 -3.1522 -2.8002 -2.8002 -2.7424 -2.7424 -2.7094 -2.7094 -0.4060 -0.4060 -0.2424 -0.2424 1.7043 1.7043 1.9353 1.9353 2.2126 2.2126 2.5075 2.5075 2.5764 2.5764 3.4429 3.4429 9.1257 9.1257 9.2041 9.2041 9.8036 9.8036 10.4376 10.4376 11.6271 11.6271 12.4557 12.4557 k = 0.0109-0.0055 0.0048 ( 3672 PWs) bands (ev): -18.3194 -18.3194 -18.1560 -18.1560 -14.0452 -14.0452 -13.8725 -13.8725 -4.9205 -4.9205 -4.7386 -4.7386 -3.1499 -3.1499 -2.7997 -2.7997 -2.7414 -2.7414 -2.7061 -2.7061 -0.4084 -0.4084 -0.2436 -0.2436 1.7017 1.7017 1.9391 1.9391 2.2152 2.2152 2.5110 2.5110 2.5661 2.5661 3.4422 3.4422 9.1245 9.1245 9.2016 9.2016 9.8024 9.8024 10.4350 10.4350 11.6285 11.6285 12.4512 12.4512 k = 0.0000 0.0000 0.0000 ( 3677 PWs) bands (ev): -18.3196 -18.3196 -18.1560 -18.1560 -14.0453 -14.0453 -13.8723 -13.8723 -4.9201 -4.9201 -4.7384 -4.7384 -3.1491 -3.1491 -2.7995 -2.7995 -2.7411 -2.7411 -2.7050 -2.7050 -0.4092 -0.4092 -0.2440 -0.2440 1.7007 1.7007 1.9403 1.9403 2.2161 2.2161 2.5123 2.5123 2.5625 2.5625 3.4419 3.4419 9.1240 9.1240 9.2008 9.2008 9.8020 9.8020 10.4342 10.4342 11.6289 11.6289 12.4496 12.4496 Writing output data file BaN2.save init_run : 4.39s CPU 13.44s WALL ( 1 calls) electrons : 626.88s CPU 633.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.59s CPU 1.58s WALL ( 1 calls) Called by electrons: c_bands : 626.85s CPU 633.29s WALL ( 1 calls) v_of_rho : 0.25s CPU 1.02s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.22s CPU 0.62s WALL ( 1 calls) newd : 0.45s CPU 0.59s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.15s WALL ( 356 calls) cegterg : 528.64s CPU 532.10s WALL ( 779 calls) Called by sum_band: Called by *egterg: h_psi : 230.82s CPU 238.28s WALL ( 12783 calls) s_psi : 21.99s CPU 22.46s WALL ( 12783 calls) g_psi : 0.55s CPU 0.53s WALL ( 11648 calls) cdiaghg : 199.83s CPU 196.93s WALL ( 12004 calls) cegterg:over : 47.58s CPU 44.75s WALL ( 11648 calls) cegterg:upda : 7.46s CPU 10.54s WALL ( 11648 calls) cegterg:last : 6.24s CPU 6.98s WALL ( 1912 calls) Called by h_psi: h_psi:vloc : 183.62s CPU 189.85s WALL ( 12783 calls) h_psi:vnl : 47.04s CPU 47.91s WALL ( 12783 calls) add_vuspsi : 13.97s CPU 17.33s WALL ( 12783 calls) General routines calbec : 33.02s CPU 30.40s WALL ( 12783 calls) fft : 0.42s CPU 1.54s WALL ( 19 calls) ffts : 0.00s CPU 0.04s WALL ( 4 calls) fftw : 175.22s CPU 179.33s WALL ( 1148128 calls) interpolate : 0.05s CPU 0.09s WALL ( 4 calls) davcio : 0.03s CPU 1.53s WALL ( 712 calls) Parallel routines fft_scatter : 110.41s CPU 109.61s WALL ( 1148151 calls) PWSCF : 11m41.85s CPU 14m16.41s WALL This run was terminated on: 6:48:26 14Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=