Program PWSCF v.5.1.1 starts on 6Nov2015 at 5: 9: 7 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: ./Li4CO4.save/ 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 45 45 12 1581 1581 234 Max 46 46 13 1585 1585 241 Sum 2177 2177 611 75921 75921 11339 bravais-lattice index = 14 lattice parameter (alat) = 8.1754 a.u. unit-cell volume = 540.0017 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.175389 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.091025 celldm(5)= 0.091025 celldm(6)= 0.091025 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.091025 0.995849 0.000000 ) a(3) = ( 0.091025 0.083085 0.992377 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.091405 -0.084072 ) b(2) = ( 0.000000 1.004169 -0.084072 ) b(3) = ( 0.000000 0.000000 1.007682 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) C 4.00 12.01070 C( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 299 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0135135 -0.0012352 -0.0011361), wk = 0.0033445 k( 3) = ( 0.0270270 -0.0024704 -0.0022722), wk = 0.0033445 k( 4) = ( 0.0405405 -0.0037056 -0.0034083), wk = 0.0033445 k( 5) = ( 0.0540540 -0.0049408 -0.0045444), wk = 0.0033445 k( 6) = ( 0.0675676 -0.0061760 -0.0056805), wk = 0.0033445 k( 7) = ( 0.0810811 -0.0074112 -0.0068166), wk = 0.0033445 k( 8) = ( 0.0945946 -0.0086464 -0.0079527), wk = 0.0033445 k( 9) = ( 0.1081081 -0.0098816 -0.0090888), wk = 0.0033445 k( 10) = ( 0.1216216 -0.0111168 -0.0102250), wk = 0.0033445 k( 11) = ( 0.1351351 -0.0123520 -0.0113611), wk = 0.0033445 k( 12) = ( 0.1486486 -0.0135872 -0.0124972), wk = 0.0033445 k( 13) = ( 0.1621622 -0.0148224 -0.0136333), wk = 0.0033445 k( 14) = ( 0.1756757 -0.0160576 -0.0147694), wk = 0.0033445 k( 15) = ( 0.1891892 -0.0172928 -0.0159055), wk = 0.0033445 k( 16) = ( 0.2027027 -0.0185280 -0.0170416), wk = 0.0033445 k( 17) = ( 0.2162162 -0.0197632 -0.0181777), wk = 0.0033445 k( 18) = ( 0.2297297 -0.0209984 -0.0193138), wk = 0.0033445 k( 19) = ( 0.2432432 -0.0222336 -0.0204499), wk = 0.0033445 k( 20) = ( 0.2567568 -0.0234688 -0.0215860), wk = 0.0033445 k( 21) = ( 0.2702703 -0.0247040 -0.0227221), wk = 0.0033445 k( 22) = ( 0.2837838 -0.0259392 -0.0238582), wk = 0.0033445 k( 23) = ( 0.2972973 -0.0271744 -0.0249943), wk = 0.0033445 k( 24) = ( 0.3108108 -0.0284096 -0.0261304), wk = 0.0033445 k( 25) = ( 0.3243243 -0.0296448 -0.0272665), wk = 0.0033445 k( 26) = ( 0.3378378 -0.0308800 -0.0284026), wk = 0.0033445 k( 27) = ( 0.3513514 -0.0321152 -0.0295387), wk = 0.0033445 k( 28) = ( 0.3648649 -0.0333504 -0.0306749), wk = 0.0033445 k( 29) = ( 0.3783784 -0.0345856 -0.0318110), wk = 0.0033445 k( 30) = ( 0.3918919 -0.0358208 -0.0329471), wk = 0.0033445 k( 31) = ( 0.4054054 -0.0370560 -0.0340832), wk = 0.0033445 k( 32) = ( 0.4189189 -0.0382911 -0.0352193), wk = 0.0033445 k( 33) = ( 0.4324324 -0.0395263 -0.0363554), wk = 0.0033445 k( 34) = ( 0.4459459 -0.0407615 -0.0374915), wk = 0.0033445 k( 35) = ( 0.4594595 -0.0419967 -0.0386276), wk = 0.0033445 k( 36) = ( 0.4729730 -0.0432319 -0.0397637), wk = 0.0033445 k( 37) = ( 0.4864865 -0.0444671 -0.0408998), wk = 0.0033445 k( 38) = ( 0.5000000 -0.0457023 -0.0420359), wk = 0.0033445 k( 39) = ( 0.5000000 -0.0457023 -0.0420359), wk = 0.0033445 k( 40) = ( 0.5000000 -0.0364685 -0.0520752), wk = 0.0033445 k( 41) = ( 0.5000000 -0.0272346 -0.0621144), wk = 0.0033445 k( 42) = ( 0.5000000 -0.0180008 -0.0721536), wk = 0.0033445 k( 43) = ( 0.5000000 -0.0087669 -0.0821929), wk = 0.0033445 k( 44) = ( 0.5000000 0.0004669 -0.0922321), wk = 0.0033445 k( 45) = ( 0.5000000 0.0097008 -0.1022713), wk = 0.0033445 k( 46) = ( 0.5000000 0.0189346 -0.1123106), wk = 0.0033445 k( 47) = ( 0.5000000 0.0281685 -0.1223498), wk = 0.0033445 k( 48) = ( 0.5000000 0.0374023 -0.1323891), wk = 0.0033445 k( 49) = ( 0.5000000 0.0466362 -0.1424283), wk = 0.0033445 k( 50) = ( 0.5000000 0.0558700 -0.1524676), wk = 0.0033445 k( 51) = ( 0.5000000 0.0651039 -0.1625068), wk = 0.0033445 k( 52) = ( 0.5000000 0.0743377 -0.1725460), wk = 0.0033445 k( 53) = ( 0.5000000 0.0835716 -0.1825853), wk = 0.0033445 k( 54) = ( 0.5000000 0.0928054 -0.1926245), wk = 0.0033445 k( 55) = ( 0.5000000 0.1020393 -0.2026638), wk = 0.0033445 k( 56) = ( 0.5000000 0.1112731 -0.2127030), wk = 0.0033445 k( 57) = ( 0.5000000 0.1205070 -0.2227422), wk = 0.0033445 k( 58) = ( 0.5000000 0.1297408 -0.2327815), wk = 0.0033445 k( 59) = ( 0.5000000 0.1389747 -0.2428207), wk = 0.0033445 k( 60) = ( 0.5000000 0.1482085 -0.2528600), wk = 0.0033445 k( 61) = ( 0.5000000 0.1574424 -0.2628992), wk = 0.0033445 k( 62) = ( 0.5000000 0.1666762 -0.2729384), wk = 0.0033445 k( 63) = ( 0.5000000 0.1759101 -0.2829777), wk = 0.0033445 k( 64) = ( 0.5000000 0.1851439 -0.2930169), wk = 0.0033445 k( 65) = ( 0.5000000 0.1943778 -0.3030562), wk = 0.0033445 k( 66) = ( 0.5000000 0.2036116 -0.3130954), wk = 0.0033445 k( 67) = ( 0.5000000 0.2128455 -0.3231346), wk = 0.0033445 k( 68) = ( 0.5000000 0.2220793 -0.3331739), wk = 0.0033445 k( 69) = ( 0.5000000 0.2313132 -0.3432131), wk = 0.0033445 k( 70) = ( 0.5000000 0.2405470 -0.3532524), wk = 0.0033445 k( 71) = ( 0.5000000 0.2497809 -0.3632916), wk = 0.0033445 k( 72) = ( 0.5000000 0.2590147 -0.3733308), wk = 0.0033445 k( 73) = ( 0.5000000 0.2682486 -0.3833701), wk = 0.0033445 k( 74) = ( 0.5000000 0.2774824 -0.3934093), wk = 0.0033445 k( 75) = ( 0.5000000 0.2867163 -0.4034486), wk = 0.0033445 k( 76) = ( 0.5000000 0.2959501 -0.4134878), wk = 0.0033445 k( 77) = ( 0.5000000 0.3051840 -0.4235270), wk = 0.0033445 k( 78) = ( 0.5000000 0.3144178 -0.4335663), wk = 0.0033445 k( 79) = ( 0.5000000 0.3236517 -0.4436055), wk = 0.0033445 k( 80) = ( 0.5000000 0.3328855 -0.4536448), wk = 0.0033445 k( 81) = ( 0.5000000 0.3421194 -0.4636840), wk = 0.0033445 k( 82) = ( 0.5000000 0.3513532 -0.4737232), wk = 0.0033445 k( 83) = ( 0.5000000 0.3605871 -0.4837625), wk = 0.0033445 k( 84) = ( 0.5000000 0.3698209 -0.4938017), wk = 0.0033445 k( 85) = ( 0.5000000 0.3790548 -0.5038410), wk = 0.0033445 k( 86) = ( 0.5770062 0.4493433 0.3356973), wk = 0.0033445 k( 87) = ( 0.5684500 0.4501254 0.3450387), wk = 0.0033445 k( 88) = ( 0.5598937 0.4509075 0.3543800), wk = 0.0033445 k( 89) = ( 0.5513375 0.4516895 0.3637213), wk = 0.0033445 k( 90) = ( 0.5427812 0.4524716 0.3730626), wk = 0.0033445 k( 91) = ( 0.5342250 0.4532537 0.3824039), wk = 0.0033445 k( 92) = ( 0.5256687 0.4540358 0.3917452), wk = 0.0033445 k( 93) = ( 0.5171125 0.4548179 0.4010865), wk = 0.0033445 k( 94) = ( 0.5085563 0.4555999 0.4104278), wk = 0.0033445 k( 95) = ( 0.5000000 0.4563820 0.4197692), wk = 0.0033445 k( 96) = ( 0.5000000 0.4563820 0.4197692), wk = 0.0033445 k( 97) = ( 0.4913793 0.4485134 0.4125318), wk = 0.0033445 k( 98) = ( 0.4827586 0.4406447 0.4052944), wk = 0.0033445 k( 99) = ( 0.4741379 0.4327761 0.3980570), wk = 0.0033445 k( 100) = ( 0.4655172 0.4249074 0.3908196), wk = 0.0033445 k( 101) = ( 0.4568966 0.4170387 0.3835822), wk = 0.0033445 k( 102) = ( 0.4482759 0.4091701 0.3763448), wk = 0.0033445 k( 103) = ( 0.4396552 0.4013014 0.3691074), wk = 0.0033445 k( 104) = ( 0.4310345 0.3934328 0.3618700), wk = 0.0033445 k( 105) = ( 0.4224138 0.3855641 0.3546326), wk = 0.0033445 k( 106) = ( 0.4137931 0.3776955 0.3473952), wk = 0.0033445 k( 107) = ( 0.4051724 0.3698268 0.3401578), wk = 0.0033445 k( 108) = ( 0.3965517 0.3619581 0.3329204), wk = 0.0033445 k( 109) = ( 0.3879310 0.3540895 0.3256830), wk = 0.0033445 k( 110) = ( 0.3793103 0.3462208 0.3184456), wk = 0.0033445 k( 111) = ( 0.3706897 0.3383522 0.3112082), wk = 0.0033445 k( 112) = ( 0.3620690 0.3304835 0.3039708), wk = 0.0033445 k( 113) = ( 0.3534483 0.3226149 0.2967334), wk = 0.0033445 k( 114) = ( 0.3448276 0.3147462 0.2894960), wk = 0.0033445 k( 115) = ( 0.3362069 0.3068776 0.2822586), wk = 0.0033445 k( 116) = ( 0.3275862 0.2990089 0.2750212), wk = 0.0033445 k( 117) = ( 0.3189655 0.2911403 0.2677838), wk = 0.0033445 k( 118) = ( 0.3103448 0.2832716 0.2605464), wk = 0.0033445 k( 119) = ( 0.3017241 0.2754029 0.2533090), wk = 0.0033445 k( 120) = ( 0.2931034 0.2675343 0.2460716), wk = 0.0033445 k( 121) = ( 0.2844828 0.2596656 0.2388342), wk = 0.0033445 k( 122) = ( 0.2758621 0.2517970 0.2315968), wk = 0.0033445 k( 123) = ( 0.2672414 0.2439283 0.2243594), wk = 0.0033445 k( 124) = ( 0.2586207 0.2360597 0.2171220), wk = 0.0033445 k( 125) = ( 0.2500000 0.2281910 0.2098846), wk = 0.0033445 k( 126) = ( 0.2413793 0.2203224 0.2026472), wk = 0.0033445 k( 127) = ( 0.2327586 0.2124537 0.1954098), wk = 0.0033445 k( 128) = ( 0.2241379 0.2045850 0.1881724), wk = 0.0033445 k( 129) = ( 0.2155172 0.1967164 0.1809350), wk = 0.0033445 k( 130) = ( 0.2068966 0.1888477 0.1736976), wk = 0.0033445 k( 131) = ( 0.1982759 0.1809791 0.1664602), wk = 0.0033445 k( 132) = ( 0.1896552 0.1731104 0.1592228), wk = 0.0033445 k( 133) = ( 0.1810345 0.1652418 0.1519854), wk = 0.0033445 k( 134) = ( 0.1724138 0.1573731 0.1447480), wk = 0.0033445 k( 135) = ( 0.1637931 0.1495045 0.1375106), wk = 0.0033445 k( 136) = ( 0.1551724 0.1416358 0.1302732), wk = 0.0033445 k( 137) = ( 0.1465517 0.1337671 0.1230358), wk = 0.0033445 k( 138) = ( 0.1379310 0.1258985 0.1157984), wk = 0.0033445 k( 139) = ( 0.1293103 0.1180298 0.1085610), wk = 0.0033445 k( 140) = ( 0.1206897 0.1101612 0.1013236), wk = 0.0033445 k( 141) = ( 0.1120690 0.1022925 0.0940862), wk = 0.0033445 k( 142) = ( 0.1034483 0.0944239 0.0868488), wk = 0.0033445 k( 143) = ( 0.0948276 0.0865552 0.0796114), wk = 0.0033445 k( 144) = ( 0.0862069 0.0786866 0.0723740), wk = 0.0033445 k( 145) = ( 0.0775862 0.0708179 0.0651366), wk = 0.0033445 k( 146) = ( 0.0689655 0.0629492 0.0578992), wk = 0.0033445 k( 147) = ( 0.0603448 0.0550806 0.0506618), wk = 0.0033445 k( 148) = ( 0.0517241 0.0472119 0.0434244), wk = 0.0033445 k( 149) = ( 0.0431035 0.0393433 0.0361870), wk = 0.0033445 k( 150) = ( 0.0344828 0.0314746 0.0289496), wk = 0.0033445 k( 151) = ( 0.0258621 0.0236060 0.0217122), wk = 0.0033445 k( 152) = ( 0.0172414 0.0157373 0.0144748), wk = 0.0033445 k( 153) = ( 0.0086207 0.0078687 0.0072374), wk = 0.0033445 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 156) = ( 0.0092299 -0.0008437 -0.0100768), wk = 0.0033445 k( 157) = ( 0.0184599 -0.0016873 -0.0201536), wk = 0.0033445 k( 158) = ( 0.0276898 -0.0025310 -0.0302305), wk = 0.0033445 k( 159) = ( 0.0369198 -0.0033746 -0.0403073), wk = 0.0033445 k( 160) = ( 0.0461497 -0.0042183 -0.0503841), wk = 0.0033445 k( 161) = ( 0.0553796 -0.0050620 -0.0604609), wk = 0.0033445 k( 162) = ( 0.0646096 -0.0059056 -0.0705377), wk = 0.0033445 k( 163) = ( 0.0738395 -0.0067493 -0.0806146), wk = 0.0033445 k( 164) = ( 0.0830694 -0.0075929 -0.0906914), wk = 0.0033445 k( 165) = ( 0.0922994 -0.0084366 -0.1007682), wk = 0.0033445 k( 166) = ( 0.1015293 -0.0092803 -0.1108450), wk = 0.0033445 k( 167) = ( 0.1107593 -0.0101239 -0.1209218), wk = 0.0033445 k( 168) = ( 0.1199892 -0.0109676 -0.1309986), wk = 0.0033445 k( 169) = ( 0.1292191 -0.0118112 -0.1410755), wk = 0.0033445 k( 170) = ( 0.1384491 -0.0126549 -0.1511523), wk = 0.0033445 k( 171) = ( 0.1476790 -0.0134986 -0.1612291), wk = 0.0033445 k( 172) = ( 0.1569089 -0.0143422 -0.1713059), wk = 0.0033445 k( 173) = ( 0.1661389 -0.0151859 -0.1813827), wk = 0.0033445 k( 174) = ( 0.1753688 -0.0160295 -0.1914596), wk = 0.0033445 k( 175) = ( 0.1845988 -0.0168732 -0.2015364), wk = 0.0033445 k( 176) = ( 0.1938287 -0.0177169 -0.2116132), wk = 0.0033445 k( 177) = ( 0.2030586 -0.0185605 -0.2216900), wk = 0.0033445 k( 178) = ( 0.2122886 -0.0194042 -0.2317668), wk = 0.0033445 k( 179) = ( 0.2215185 -0.0202478 -0.2418437), wk = 0.0033445 k( 180) = ( 0.2307484 -0.0210915 -0.2519205), wk = 0.0033445 k( 181) = ( 0.2399784 -0.0219351 -0.2619973), wk = 0.0033445 k( 182) = ( 0.2492083 -0.0227788 -0.2720741), wk = 0.0033445 k( 183) = ( 0.2584383 -0.0236225 -0.2821509), wk = 0.0033445 k( 184) = ( 0.2676682 -0.0244661 -0.2922278), wk = 0.0033445 k( 185) = ( 0.2768981 -0.0253098 -0.3023046), wk = 0.0033445 k( 186) = ( 0.2861281 -0.0261534 -0.3123814), wk = 0.0033445 k( 187) = ( 0.2953580 -0.0269971 -0.3224582), wk = 0.0033445 k( 188) = ( 0.3045879 -0.0278408 -0.3325350), wk = 0.0033445 k( 189) = ( 0.3138179 -0.0286844 -0.3426119), wk = 0.0033445 k( 190) = ( 0.3230478 -0.0295281 -0.3526887), wk = 0.0033445 k( 191) = ( 0.3322778 -0.0303717 -0.3627655), wk = 0.0033445 k( 192) = ( 0.3415077 -0.0312154 -0.3728423), wk = 0.0033445 k( 193) = ( 0.3507376 -0.0320591 -0.3829191), wk = 0.0033445 k( 194) = ( 0.3599676 -0.0329027 -0.3929960), wk = 0.0033445 k( 195) = ( 0.3691975 -0.0337464 -0.4030728), wk = 0.0033445 k( 196) = ( 0.3784275 -0.0345900 -0.4131496), wk = 0.0033445 k( 197) = ( 0.3876574 -0.0354337 -0.4232264), wk = 0.0033445 k( 198) = ( 0.3968873 -0.0362774 -0.4333032), wk = 0.0033445 k( 199) = ( 0.4061173 -0.0371210 -0.4433801), wk = 0.0033445 k( 200) = ( 0.4153472 -0.0379647 -0.4534569), wk = 0.0033445 k( 201) = ( 0.4245771 -0.0388083 -0.4635337), wk = 0.0033445 k( 202) = ( 0.4338071 -0.0396520 -0.4736105), wk = 0.0033445 k( 203) = ( 0.4430370 -0.0404957 -0.4836873), wk = 0.0033445 k( 204) = ( 0.4522670 -0.0413393 -0.4937642), wk = 0.0033445 k( 205) = ( 0.4614969 -0.0421830 -0.5038410), wk = 0.0033445 k( 206) = ( 0.5385031 0.4141990 -0.0840718), wk = 0.0033445 k( 207) = ( 0.5308025 0.4226356 -0.0840718), wk = 0.0033445 k( 208) = ( 0.5231019 0.4310722 -0.0840718), wk = 0.0033445 k( 209) = ( 0.5154012 0.4395088 -0.0840718), wk = 0.0033445 k( 210) = ( 0.5077006 0.4479454 -0.0840718), wk = 0.0033445 k( 211) = ( 0.5000000 0.4563820 -0.0840718), wk = 0.0033445 k( 212) = ( 0.5000000 0.4563820 -0.0840718), wk = 0.0033445 k( 213) = ( 0.5012420 0.4575157 -0.0705309), wk = 0.0033445 k( 214) = ( 0.5024841 0.4586494 -0.0569899), wk = 0.0033445 k( 215) = ( 0.5037261 0.4597831 -0.0434490), wk = 0.0033445 k( 216) = ( 0.5049681 0.4609168 -0.0299081), wk = 0.0033445 k( 217) = ( 0.5062102 0.4620504 -0.0163671), wk = 0.0033445 k( 218) = ( 0.5074522 0.4631841 -0.0028262), wk = 0.0033445 k( 219) = ( 0.5086943 0.4643178 0.0107148), wk = 0.0033445 k( 220) = ( 0.5099363 0.4654515 0.0242557), wk = 0.0033445 k( 221) = ( 0.5111783 0.4665852 0.0377966), wk = 0.0033445 k( 222) = ( 0.5124204 0.4677189 0.0513376), wk = 0.0033445 k( 223) = ( 0.5136624 0.4688526 0.0648785), wk = 0.0033445 k( 224) = ( 0.5149044 0.4699862 0.0784195), wk = 0.0033445 k( 225) = ( 0.5161465 0.4711199 0.0919604), wk = 0.0033445 k( 226) = ( 0.5173885 0.4722536 0.1055014), wk = 0.0033445 k( 227) = ( 0.5186305 0.4733873 0.1190423), wk = 0.0033445 k( 228) = ( 0.5198726 0.4745210 0.1325832), wk = 0.0033445 k( 229) = ( 0.5211146 0.4756547 0.1461242), wk = 0.0033445 k( 230) = ( 0.5223566 0.4767884 0.1596651), wk = 0.0033445 k( 231) = ( 0.5235987 0.4779220 0.1732061), wk = 0.0033445 k( 232) = ( 0.5248407 0.4790557 0.1867470), wk = 0.0033445 k( 233) = ( 0.5260828 0.4801894 0.2002879), wk = 0.0033445 k( 234) = ( 0.5273248 0.4813231 0.2138289), wk = 0.0033445 k( 235) = ( 0.5285668 0.4824568 0.2273698), wk = 0.0033445 k( 236) = ( 0.5298088 0.4835905 0.2409108), wk = 0.0033445 k( 237) = ( 0.5310509 0.4847242 0.2544517), wk = 0.0033445 k( 238) = ( 0.5322929 0.4858578 0.2679926), wk = 0.0033445 k( 239) = ( 0.5335350 0.4869915 0.2815336), wk = 0.0033445 k( 240) = ( 0.5347770 0.4881252 0.2950745), wk = 0.0033445 k( 241) = ( 0.5360190 0.4892589 0.3086155), wk = 0.0033445 k( 242) = ( 0.5372611 0.4903926 0.3221564), wk = 0.0033445 k( 243) = ( 0.5385031 0.4915263 0.3356973), wk = 0.0033445 k( 244) = ( 0.5385031 0.4915263 0.3356973), wk = 0.0033445 k( 245) = ( 0.5336902 0.4871332 0.3462063), wk = 0.0033445 k( 246) = ( 0.5288773 0.4827402 0.3567153), wk = 0.0033445 k( 247) = ( 0.5240644 0.4783472 0.3672243), wk = 0.0033445 k( 248) = ( 0.5192516 0.4739541 0.3777332), wk = 0.0033445 k( 249) = ( 0.5144387 0.4695611 0.3882422), wk = 0.0033445 k( 250) = ( 0.5096258 0.4651681 0.3987512), wk = 0.0033445 k( 251) = ( 0.5048129 0.4607751 0.4092602), wk = 0.0033445 k( 252) = ( 0.5000000 0.4563820 0.4197692), wk = 0.0033445 k( 253) = ( 0.5000000 -0.0457023 -0.0420359), wk = 0.0033445 k( 254) = ( 0.5016740 -0.0357810 -0.0329105), wk = 0.0033445 k( 255) = ( 0.5033481 -0.0258596 -0.0237851), wk = 0.0033445 k( 256) = ( 0.5050221 -0.0159383 -0.0146597), wk = 0.0033445 k( 257) = ( 0.5066962 -0.0060170 -0.0055342), wk = 0.0033445 k( 258) = ( 0.5083702 0.0039044 0.0035912), wk = 0.0033445 k( 259) = ( 0.5100443 0.0138258 0.0127166), wk = 0.0033445 k( 260) = ( 0.5117183 0.0237471 0.0218420), wk = 0.0033445 k( 261) = ( 0.5133924 0.0336684 0.0309674), wk = 0.0033445 k( 262) = ( 0.5150664 0.0435898 0.0400928), wk = 0.0033445 k( 263) = ( 0.5167405 0.0535111 0.0492183), wk = 0.0033445 k( 264) = ( 0.5184145 0.0634325 0.0583437), wk = 0.0033445 k( 265) = ( 0.5200886 0.0733538 0.0674691), wk = 0.0033445 k( 266) = ( 0.5217626 0.0832752 0.0765945), wk = 0.0033445 k( 267) = ( 0.5234367 0.0931965 0.0857199), wk = 0.0033445 k( 268) = ( 0.5251107 0.1031179 0.0948453), wk = 0.0033445 k( 269) = ( 0.5267848 0.1130392 0.1039708), wk = 0.0033445 k( 270) = ( 0.5284588 0.1229606 0.1130962), wk = 0.0033445 k( 271) = ( 0.5301329 0.1328819 0.1222216), wk = 0.0033445 k( 272) = ( 0.5318069 0.1428033 0.1313470), wk = 0.0033445 k( 273) = ( 0.5334810 0.1527246 0.1404724), wk = 0.0033445 k( 274) = ( 0.5351550 0.1626460 0.1495978), wk = 0.0033445 k( 275) = ( 0.5368291 0.1725673 0.1587233), wk = 0.0033445 k( 276) = ( 0.5385031 0.1824887 0.1678487), wk = 0.0033445 k( 277) = ( 0.5401771 0.1924100 0.1769741), wk = 0.0033445 k( 278) = ( 0.5418512 0.2023314 0.1860995), wk = 0.0033445 k( 279) = ( 0.5435252 0.2122527 0.1952249), wk = 0.0033445 k( 280) = ( 0.5451993 0.2221741 0.2043503), wk = 0.0033445 k( 281) = ( 0.5468733 0.2320954 0.2134757), wk = 0.0033445 k( 282) = ( 0.5485474 0.2420168 0.2226012), wk = 0.0033445 k( 283) = ( 0.5502214 0.2519381 0.2317266), wk = 0.0033445 k( 284) = ( 0.5518955 0.2618595 0.2408520), wk = 0.0033445 k( 285) = ( 0.5535695 0.2717808 0.2499774), wk = 0.0033445 k( 286) = ( 0.5552436 0.2817022 0.2591028), wk = 0.0033445 k( 287) = ( 0.5569176 0.2916235 0.2682282), wk = 0.0033445 k( 288) = ( 0.5585917 0.3015448 0.2773537), wk = 0.0033445 k( 289) = ( 0.5602657 0.3114662 0.2864791), wk = 0.0033445 k( 290) = ( 0.5619398 0.3213876 0.2956045), wk = 0.0033445 k( 291) = ( 0.5636138 0.3313089 0.3047299), wk = 0.0033445 k( 292) = ( 0.5652879 0.3412302 0.3138553), wk = 0.0033445 k( 293) = ( 0.5669619 0.3511516 0.3229807), wk = 0.0033445 k( 294) = ( 0.5686360 0.3610729 0.3321062), wk = 0.0033445 k( 295) = ( 0.5703100 0.3709943 0.3412316), wk = 0.0033445 k( 296) = ( 0.5719841 0.3809156 0.3503570), wk = 0.0033445 k( 297) = ( 0.5736581 0.3908370 0.3594824), wk = 0.0033445 k( 298) = ( 0.5753322 0.4007583 0.3686078), wk = 0.0033445 k( 299) = ( 0.5770062 0.4106797 0.3777332), wk = 0.0033445 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0135135 0.0000000 0.0000000), wk = 0.0033445 k( 3) = ( 0.0270270 0.0000000 0.0000000), wk = 0.0033445 k( 4) = ( 0.0405405 -0.0000000 0.0000000), wk = 0.0033445 k( 5) = ( 0.0540540 0.0000000 0.0000000), wk = 0.0033445 k( 6) = ( 0.0675676 0.0000000 0.0000000), wk = 0.0033445 k( 7) = ( 0.0810811 -0.0000000 0.0000000), wk = 0.0033445 k( 8) = ( 0.0945946 0.0000000 0.0000000), wk = 0.0033445 k( 9) = ( 0.1081081 0.0000000 0.0000000), wk = 0.0033445 k( 10) = ( 0.1216216 0.0000000 0.0000000), wk = 0.0033445 k( 11) = ( 0.1351351 0.0000000 0.0000000), wk = 0.0033445 k( 12) = ( 0.1486486 0.0000000 0.0000000), wk = 0.0033445 k( 13) = ( 0.1621622 -0.0000000 0.0000000), wk = 0.0033445 k( 14) = ( 0.1756757 0.0000000 0.0000000), wk = 0.0033445 k( 15) = ( 0.1891892 0.0000000 0.0000000), wk = 0.0033445 k( 16) = ( 0.2027027 0.0000000 -0.0000000), wk = 0.0033445 k( 17) = ( 0.2162162 0.0000000 0.0000000), wk = 0.0033445 k( 18) = ( 0.2297297 0.0000000 0.0000000), wk = 0.0033445 k( 19) = ( 0.2432432 0.0000000 0.0000000), wk = 0.0033445 k( 20) = ( 0.2567568 0.0000000 0.0000000), wk = 0.0033445 k( 21) = ( 0.2702703 0.0000000 0.0000000), wk = 0.0033445 k( 22) = ( 0.2837838 0.0000000 0.0000000), wk = 0.0033445 k( 23) = ( 0.2972973 0.0000000 0.0000000), wk = 0.0033445 k( 24) = ( 0.3108108 0.0000000 0.0000000), wk = 0.0033445 k( 25) = ( 0.3243243 -0.0000000 0.0000000), wk = 0.0033445 k( 26) = ( 0.3378378 0.0000000 0.0000000), wk = 0.0033445 k( 27) = ( 0.3513514 -0.0000000 0.0000000), wk = 0.0033445 k( 28) = ( 0.3648649 0.0000000 0.0000000), wk = 0.0033445 k( 29) = ( 0.3783784 0.0000000 0.0000000), wk = 0.0033445 k( 30) = ( 0.3918919 0.0000000 0.0000000), wk = 0.0033445 k( 31) = ( 0.4054054 0.0000000 0.0000000), wk = 0.0033445 k( 32) = ( 0.4189189 0.0000000 0.0000000), wk = 0.0033445 k( 33) = ( 0.4324324 0.0000000 0.0000000), wk = 0.0033445 k( 34) = ( 0.4459459 0.0000000 0.0000000), wk = 0.0033445 k( 35) = ( 0.4594595 0.0000000 0.0000000), wk = 0.0033445 k( 36) = ( 0.4729730 0.0000000 0.0000000), wk = 0.0033445 k( 37) = ( 0.4864865 0.0000000 0.0000000), wk = 0.0033445 k( 38) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033445 k( 39) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033445 k( 40) = ( 0.5000000 0.0091955 -0.0091955), wk = 0.0033445 k( 41) = ( 0.5000000 0.0183910 -0.0183910), wk = 0.0033445 k( 42) = ( 0.5000000 0.0275865 -0.0275866), wk = 0.0033445 k( 43) = ( 0.5000000 0.0367821 -0.0367821), wk = 0.0033445 k( 44) = ( 0.5000000 0.0459776 -0.0459776), wk = 0.0033445 k( 45) = ( 0.5000000 0.0551731 -0.0551731), wk = 0.0033445 k( 46) = ( 0.5000000 0.0643686 -0.0643686), wk = 0.0033445 k( 47) = ( 0.5000000 0.0735641 -0.0735641), wk = 0.0033445 k( 48) = ( 0.5000000 0.0827597 -0.0827597), wk = 0.0033445 k( 49) = ( 0.5000000 0.0919552 -0.0919552), wk = 0.0033445 k( 50) = ( 0.5000000 0.1011507 -0.1011507), wk = 0.0033445 k( 51) = ( 0.5000000 0.1103462 -0.1103462), wk = 0.0033445 k( 52) = ( 0.5000000 0.1195417 -0.1195417), wk = 0.0033445 k( 53) = ( 0.5000000 0.1287372 -0.1287372), wk = 0.0033445 k( 54) = ( 0.5000000 0.1379328 -0.1379328), wk = 0.0033445 k( 55) = ( 0.5000000 0.1471283 -0.1471283), wk = 0.0033445 k( 56) = ( 0.5000000 0.1563238 -0.1563238), wk = 0.0033445 k( 57) = ( 0.5000000 0.1655193 -0.1655193), wk = 0.0033445 k( 58) = ( 0.5000000 0.1747148 -0.1747148), wk = 0.0033445 k( 59) = ( 0.5000000 0.1839103 -0.1839103), wk = 0.0033445 k( 60) = ( 0.5000000 0.1931059 -0.1931059), wk = 0.0033445 k( 61) = ( 0.5000000 0.2023014 -0.2023014), wk = 0.0033445 k( 62) = ( 0.5000000 0.2114969 -0.2114969), wk = 0.0033445 k( 63) = ( 0.5000000 0.2206924 -0.2206924), wk = 0.0033445 k( 64) = ( 0.5000000 0.2298879 -0.2298879), wk = 0.0033445 k( 65) = ( 0.5000000 0.2390834 -0.2390835), wk = 0.0033445 k( 66) = ( 0.5000000 0.2482790 -0.2482790), wk = 0.0033445 k( 67) = ( 0.5000000 0.2574745 -0.2574745), wk = 0.0033445 k( 68) = ( 0.5000000 0.2666700 -0.2666700), wk = 0.0033445 k( 69) = ( 0.5000000 0.2758655 -0.2758655), wk = 0.0033445 k( 70) = ( 0.5000000 0.2850610 -0.2850610), wk = 0.0033445 k( 71) = ( 0.5000000 0.2942566 -0.2942566), wk = 0.0033445 k( 72) = ( 0.5000000 0.3034521 -0.3034521), wk = 0.0033445 k( 73) = ( 0.5000000 0.3126476 -0.3126476), wk = 0.0033445 k( 74) = ( 0.5000000 0.3218431 -0.3218431), wk = 0.0033445 k( 75) = ( 0.5000000 0.3310386 -0.3310386), wk = 0.0033445 k( 76) = ( 0.5000000 0.3402341 -0.3402341), wk = 0.0033445 k( 77) = ( 0.5000000 0.3494297 -0.3494297), wk = 0.0033445 k( 78) = ( 0.5000000 0.3586252 -0.3586252), wk = 0.0033445 k( 79) = ( 0.5000000 0.3678207 -0.3678207), wk = 0.0033445 k( 80) = ( 0.5000000 0.3770162 -0.3770162), wk = 0.0033445 k( 81) = ( 0.5000000 0.3862117 -0.3862117), wk = 0.0033445 k( 82) = ( 0.5000000 0.3954072 -0.3954072), wk = 0.0033445 k( 83) = ( 0.5000000 0.4046028 -0.4046028), wk = 0.0033445 k( 84) = ( 0.5000000 0.4137983 -0.4137983), wk = 0.0033445 k( 85) = ( 0.5000000 0.4229938 -0.4229938), wk = 0.0033445 k( 86) = ( 0.5770062 0.5000000 0.4229938), wk = 0.0033445 k( 87) = ( 0.5684500 0.5000000 0.4315500), wk = 0.0033445 k( 88) = ( 0.5598937 0.5000000 0.4401063), wk = 0.0033445 k( 89) = ( 0.5513375 0.5000000 0.4486625), wk = 0.0033445 k( 90) = ( 0.5427812 0.5000000 0.4572188), wk = 0.0033445 k( 91) = ( 0.5342250 0.5000000 0.4657750), wk = 0.0033445 k( 92) = ( 0.5256687 0.5000000 0.4743313), wk = 0.0033445 k( 93) = ( 0.5171125 0.5000000 0.4828875), wk = 0.0033445 k( 94) = ( 0.5085563 0.5000000 0.4914438), wk = 0.0033445 k( 95) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033445 k( 96) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033445 k( 97) = ( 0.4913793 0.4913793 0.4913793), wk = 0.0033445 k( 98) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0033445 k( 99) = ( 0.4741379 0.4741379 0.4741379), wk = 0.0033445 k( 100) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0033445 k( 101) = ( 0.4568966 0.4568965 0.4568966), wk = 0.0033445 k( 102) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0033445 k( 103) = ( 0.4396552 0.4396552 0.4396552), wk = 0.0033445 k( 104) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0033445 k( 105) = ( 0.4224138 0.4224138 0.4224138), wk = 0.0033445 k( 106) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0033445 k( 107) = ( 0.4051724 0.4051724 0.4051724), wk = 0.0033445 k( 108) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0033445 k( 109) = ( 0.3879310 0.3879310 0.3879310), wk = 0.0033445 k( 110) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0033445 k( 111) = ( 0.3706897 0.3706897 0.3706897), wk = 0.0033445 k( 112) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0033445 k( 113) = ( 0.3534483 0.3534483 0.3534483), wk = 0.0033445 k( 114) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0033445 k( 115) = ( 0.3362069 0.3362069 0.3362069), wk = 0.0033445 k( 116) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0033445 k( 117) = ( 0.3189655 0.3189655 0.3189655), wk = 0.0033445 k( 118) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0033445 k( 119) = ( 0.3017241 0.3017241 0.3017241), wk = 0.0033445 k( 120) = ( 0.2931034 0.2931034 0.2931035), wk = 0.0033445 k( 121) = ( 0.2844828 0.2844828 0.2844828), wk = 0.0033445 k( 122) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0033445 k( 123) = ( 0.2672414 0.2672414 0.2672414), wk = 0.0033445 k( 124) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0033445 k( 125) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033445 k( 126) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0033445 k( 127) = ( 0.2327586 0.2327586 0.2327586), wk = 0.0033445 k( 128) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0033445 k( 129) = ( 0.2155172 0.2155172 0.2155172), wk = 0.0033445 k( 130) = ( 0.2068966 0.2068966 0.2068966), wk = 0.0033445 k( 131) = ( 0.1982759 0.1982759 0.1982759), wk = 0.0033445 k( 132) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0033445 k( 133) = ( 0.1810345 0.1810345 0.1810345), wk = 0.0033445 k( 134) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0033445 k( 135) = ( 0.1637931 0.1637931 0.1637931), wk = 0.0033445 k( 136) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0033445 k( 137) = ( 0.1465517 0.1465517 0.1465517), wk = 0.0033445 k( 138) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0033445 k( 139) = ( 0.1293103 0.1293103 0.1293103), wk = 0.0033445 k( 140) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0033445 k( 141) = ( 0.1120690 0.1120690 0.1120690), wk = 0.0033445 k( 142) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0033445 k( 143) = ( 0.0948276 0.0948276 0.0948276), wk = 0.0033445 k( 144) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0033445 k( 145) = ( 0.0775862 0.0775862 0.0775862), wk = 0.0033445 k( 146) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0033445 k( 147) = ( 0.0603448 0.0603448 0.0603448), wk = 0.0033445 k( 148) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0033445 k( 149) = ( 0.0431035 0.0431035 0.0431035), wk = 0.0033445 k( 150) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0033445 k( 151) = ( 0.0258621 0.0258621 0.0258621), wk = 0.0033445 k( 152) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0033445 k( 153) = ( 0.0086207 0.0086207 0.0086207), wk = 0.0033445 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 156) = ( 0.0092299 0.0000000 -0.0092299), wk = 0.0033445 k( 157) = ( 0.0184599 0.0000000 -0.0184599), wk = 0.0033445 k( 158) = ( 0.0276898 0.0000000 -0.0276898), wk = 0.0033445 k( 159) = ( 0.0369198 0.0000000 -0.0369197), wk = 0.0033445 k( 160) = ( 0.0461497 0.0000000 -0.0461497), wk = 0.0033445 k( 161) = ( 0.0553796 0.0000000 -0.0553796), wk = 0.0033445 k( 162) = ( 0.0646096 0.0000000 -0.0646096), wk = 0.0033445 k( 163) = ( 0.0738395 0.0000000 -0.0738395), wk = 0.0033445 k( 164) = ( 0.0830694 0.0000000 -0.0830694), wk = 0.0033445 k( 165) = ( 0.0922994 0.0000000 -0.0922994), wk = 0.0033445 k( 166) = ( 0.1015293 0.0000000 -0.1015293), wk = 0.0033445 k( 167) = ( 0.1107593 0.0000000 -0.1107593), wk = 0.0033445 k( 168) = ( 0.1199892 0.0000000 -0.1199892), wk = 0.0033445 k( 169) = ( 0.1292191 0.0000000 -0.1292191), wk = 0.0033445 k( 170) = ( 0.1384491 0.0000000 -0.1384491), wk = 0.0033445 k( 171) = ( 0.1476790 0.0000000 -0.1476790), wk = 0.0033445 k( 172) = ( 0.1569089 0.0000000 -0.1569089), wk = 0.0033445 k( 173) = ( 0.1661389 0.0000000 -0.1661389), wk = 0.0033445 k( 174) = ( 0.1753688 -0.0000000 -0.1753688), wk = 0.0033445 k( 175) = ( 0.1845988 0.0000000 -0.1845988), wk = 0.0033445 k( 176) = ( 0.1938287 0.0000000 -0.1938287), wk = 0.0033445 k( 177) = ( 0.2030586 0.0000000 -0.2030586), wk = 0.0033445 k( 178) = ( 0.2122886 0.0000000 -0.2122886), wk = 0.0033445 k( 179) = ( 0.2215185 0.0000000 -0.2215185), wk = 0.0033445 k( 180) = ( 0.2307484 0.0000000 -0.2307484), wk = 0.0033445 k( 181) = ( 0.2399784 -0.0000000 -0.2399784), wk = 0.0033445 k( 182) = ( 0.2492083 0.0000000 -0.2492083), wk = 0.0033445 k( 183) = ( 0.2584383 0.0000000 -0.2584383), wk = 0.0033445 k( 184) = ( 0.2676682 0.0000000 -0.2676682), wk = 0.0033445 k( 185) = ( 0.2768981 0.0000000 -0.2768981), wk = 0.0033445 k( 186) = ( 0.2861281 0.0000000 -0.2861281), wk = 0.0033445 k( 187) = ( 0.2953580 0.0000000 -0.2953580), wk = 0.0033445 k( 188) = ( 0.3045879 0.0000000 -0.3045880), wk = 0.0033445 k( 189) = ( 0.3138179 0.0000000 -0.3138179), wk = 0.0033445 k( 190) = ( 0.3230478 0.0000000 -0.3230478), wk = 0.0033445 k( 191) = ( 0.3322778 0.0000000 -0.3322778), wk = 0.0033445 k( 192) = ( 0.3415077 0.0000000 -0.3415077), wk = 0.0033445 k( 193) = ( 0.3507376 -0.0000000 -0.3507376), wk = 0.0033445 k( 194) = ( 0.3599676 0.0000000 -0.3599676), wk = 0.0033445 k( 195) = ( 0.3691975 0.0000000 -0.3691975), wk = 0.0033445 k( 196) = ( 0.3784275 0.0000000 -0.3784275), wk = 0.0033445 k( 197) = ( 0.3876574 0.0000000 -0.3876574), wk = 0.0033445 k( 198) = ( 0.3968873 0.0000000 -0.3968873), wk = 0.0033445 k( 199) = ( 0.4061173 0.0000000 -0.4061173), wk = 0.0033445 k( 200) = ( 0.4153472 0.0000000 -0.4153472), wk = 0.0033445 k( 201) = ( 0.4245771 0.0000000 -0.4245771), wk = 0.0033445 k( 202) = ( 0.4338071 -0.0000000 -0.4338071), wk = 0.0033445 k( 203) = ( 0.4430370 0.0000000 -0.4430370), wk = 0.0033445 k( 204) = ( 0.4522670 0.0000000 -0.4522670), wk = 0.0033445 k( 205) = ( 0.4614969 0.0000000 -0.4614969), wk = 0.0033445 k( 206) = ( 0.5385031 0.4614969 0.0000000), wk = 0.0033445 k( 207) = ( 0.5308025 0.4691975 0.0000000), wk = 0.0033445 k( 208) = ( 0.5231019 0.4768981 0.0000000), wk = 0.0033445 k( 209) = ( 0.5154012 0.4845988 0.0000000), wk = 0.0033445 k( 210) = ( 0.5077006 0.4922994 0.0000000), wk = 0.0033445 k( 211) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033445 k( 212) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033445 k( 213) = ( 0.5012420 0.5012420 0.0136450), wk = 0.0033445 k( 214) = ( 0.5024841 0.5024841 0.0272899), wk = 0.0033445 k( 215) = ( 0.5037261 0.5037261 0.0409349), wk = 0.0033445 k( 216) = ( 0.5049681 0.5049681 0.0545798), wk = 0.0033445 k( 217) = ( 0.5062102 0.5062102 0.0682248), wk = 0.0033445 k( 218) = ( 0.5074522 0.5074522 0.0818698), wk = 0.0033445 k( 219) = ( 0.5086943 0.5086943 0.0955147), wk = 0.0033445 k( 220) = ( 0.5099363 0.5099363 0.1091597), wk = 0.0033445 k( 221) = ( 0.5111783 0.5111783 0.1228047), wk = 0.0033445 k( 222) = ( 0.5124204 0.5124204 0.1364496), wk = 0.0033445 k( 223) = ( 0.5136624 0.5136624 0.1500946), wk = 0.0033445 k( 224) = ( 0.5149044 0.5149044 0.1637395), wk = 0.0033445 k( 225) = ( 0.5161465 0.5161465 0.1773845), wk = 0.0033445 k( 226) = ( 0.5173885 0.5173885 0.1910295), wk = 0.0033445 k( 227) = ( 0.5186305 0.5186305 0.2046744), wk = 0.0033445 k( 228) = ( 0.5198726 0.5198726 0.2183194), wk = 0.0033445 k( 229) = ( 0.5211146 0.5211146 0.2319643), wk = 0.0033445 k( 230) = ( 0.5223566 0.5223566 0.2456093), wk = 0.0033445 k( 231) = ( 0.5235987 0.5235987 0.2592543), wk = 0.0033445 k( 232) = ( 0.5248407 0.5248407 0.2728992), wk = 0.0033445 k( 233) = ( 0.5260828 0.5260828 0.2865442), wk = 0.0033445 k( 234) = ( 0.5273248 0.5273248 0.3001891), wk = 0.0033445 k( 235) = ( 0.5285668 0.5285668 0.3138341), wk = 0.0033445 k( 236) = ( 0.5298088 0.5298088 0.3274791), wk = 0.0033445 k( 237) = ( 0.5310509 0.5310509 0.3411240), wk = 0.0033445 k( 238) = ( 0.5322929 0.5322929 0.3547690), wk = 0.0033445 k( 239) = ( 0.5335350 0.5335350 0.3684139), wk = 0.0033445 k( 240) = ( 0.5347770 0.5347770 0.3820589), wk = 0.0033445 k( 241) = ( 0.5360190 0.5360190 0.3957039), wk = 0.0033445 k( 242) = ( 0.5372611 0.5372611 0.4093488), wk = 0.0033445 k( 243) = ( 0.5385031 0.5385031 0.4229938), wk = 0.0033445 k( 244) = ( 0.5385031 0.5385031 0.4229938), wk = 0.0033445 k( 245) = ( 0.5336902 0.5336902 0.4326196), wk = 0.0033445 k( 246) = ( 0.5288773 0.5288773 0.4422453), wk = 0.0033445 k( 247) = ( 0.5240644 0.5240644 0.4518711), wk = 0.0033445 k( 248) = ( 0.5192516 0.5192516 0.4614969), wk = 0.0033445 k( 249) = ( 0.5144387 0.5144387 0.4711227), wk = 0.0033445 k( 250) = ( 0.5096258 0.5096258 0.4807485), wk = 0.0033445 k( 251) = ( 0.5048129 0.5048129 0.4903742), wk = 0.0033445 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033445 k( 253) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033445 k( 254) = ( 0.5016740 0.0100325 0.0100325), wk = 0.0033445 k( 255) = ( 0.5033481 0.0200651 0.0200651), wk = 0.0033445 k( 256) = ( 0.5050221 0.0300976 0.0300976), wk = 0.0033445 k( 257) = ( 0.5066962 0.0401302 0.0401302), wk = 0.0033445 k( 258) = ( 0.5083702 0.0501627 0.0501627), wk = 0.0033445 k( 259) = ( 0.5100443 0.0601952 0.0601953), wk = 0.0033445 k( 260) = ( 0.5117183 0.0702278 0.0702278), wk = 0.0033445 k( 261) = ( 0.5133924 0.0802603 0.0802603), wk = 0.0033445 k( 262) = ( 0.5150664 0.0902929 0.0902929), wk = 0.0033445 k( 263) = ( 0.5167405 0.1003254 0.1003254), wk = 0.0033445 k( 264) = ( 0.5184145 0.1103579 0.1103580), wk = 0.0033445 k( 265) = ( 0.5200886 0.1203905 0.1203905), wk = 0.0033445 k( 266) = ( 0.5217626 0.1304230 0.1304230), wk = 0.0033445 k( 267) = ( 0.5234367 0.1404556 0.1404556), wk = 0.0033445 k( 268) = ( 0.5251107 0.1504881 0.1504881), wk = 0.0033445 k( 269) = ( 0.5267848 0.1605207 0.1605207), wk = 0.0033445 k( 270) = ( 0.5284588 0.1705532 0.1705532), wk = 0.0033445 k( 271) = ( 0.5301329 0.1805857 0.1805857), wk = 0.0033445 k( 272) = ( 0.5318069 0.1906183 0.1906183), wk = 0.0033445 k( 273) = ( 0.5334810 0.2006508 0.2006508), wk = 0.0033445 k( 274) = ( 0.5351550 0.2106834 0.2106834), wk = 0.0033445 k( 275) = ( 0.5368291 0.2207159 0.2207159), wk = 0.0033445 k( 276) = ( 0.5385031 0.2307484 0.2307485), wk = 0.0033445 k( 277) = ( 0.5401771 0.2407810 0.2407810), wk = 0.0033445 k( 278) = ( 0.5418512 0.2508135 0.2508135), wk = 0.0033445 k( 279) = ( 0.5435252 0.2608461 0.2608461), wk = 0.0033445 k( 280) = ( 0.5451993 0.2708786 0.2708786), wk = 0.0033445 k( 281) = ( 0.5468733 0.2809111 0.2809111), wk = 0.0033445 k( 282) = ( 0.5485474 0.2909437 0.2909437), wk = 0.0033445 k( 283) = ( 0.5502214 0.3009762 0.3009762), wk = 0.0033445 k( 284) = ( 0.5518955 0.3110088 0.3110088), wk = 0.0033445 k( 285) = ( 0.5535695 0.3210413 0.3210413), wk = 0.0033445 k( 286) = ( 0.5552436 0.3310739 0.3310739), wk = 0.0033445 k( 287) = ( 0.5569176 0.3411064 0.3411064), wk = 0.0033445 k( 288) = ( 0.5585917 0.3511389 0.3511389), wk = 0.0033445 k( 289) = ( 0.5602657 0.3611715 0.3611715), wk = 0.0033445 k( 290) = ( 0.5619398 0.3712040 0.3712040), wk = 0.0033445 k( 291) = ( 0.5636138 0.3812366 0.3812366), wk = 0.0033445 k( 292) = ( 0.5652879 0.3912691 0.3912691), wk = 0.0033445 k( 293) = ( 0.5669619 0.4013016 0.4013017), wk = 0.0033445 k( 294) = ( 0.5686360 0.4113342 0.4113342), wk = 0.0033445 k( 295) = ( 0.5703100 0.4213667 0.4213667), wk = 0.0033445 k( 296) = ( 0.5719841 0.4313993 0.4313993), wk = 0.0033445 k( 297) = ( 0.5736581 0.4414318 0.4414318), wk = 0.0033445 k( 298) = ( 0.5753322 0.4514644 0.4514644), wk = 0.0033445 k( 299) = ( 0.5770062 0.4614969 0.4614969), wk = 0.0033445 Dense grid: 75921 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 404, 48) NL pseudopotentials 0.39 Mb ( 202, 126) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1582) G-vector shells 0.01 Mb ( 1329) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.18 Mb ( 404, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.18 Mb ( 126, 2, 48) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Li4CO4.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.6 secs Computing kpt #: 2 total cpu time spent up to now is 41.9 secs Computing kpt #: 3 total cpu time spent up to now is 44.4 secs Computing kpt #: 4 total cpu time spent up to now is 46.8 secs Computing kpt #: 5 total cpu time spent up to now is 49.0 secs Computing kpt #: 6 total cpu time spent up to now is 51.4 secs Computing kpt #: 7 total cpu time spent up to now is 53.7 secs Computing kpt #: 8 total cpu time spent up to now is 56.2 secs Computing kpt #: 9 total cpu time spent up to now is 58.6 secs Computing kpt #: 10 total cpu time spent up to now is 61.0 secs Computing kpt #: 11 total cpu time spent up to now is 63.5 secs Computing kpt #: 12 total cpu time spent up to now is 65.9 secs Computing kpt #: 13 total cpu time spent up to now is 68.4 secs Computing kpt #: 14 total cpu time spent up to now is 70.9 secs Computing kpt #: 15 total cpu time spent up to now is 73.4 secs Computing kpt #: 16 total cpu time spent up to now is 75.8 secs Computing kpt #: 17 total cpu time spent up to now is 78.7 secs Computing kpt #: 18 total cpu time spent up to now is 81.4 secs Computing kpt #: 19 total cpu time spent up to now is 84.0 secs Computing kpt #: 20 total cpu time spent up to now is 86.6 secs Computing kpt #: 21 total cpu time spent up to now is 89.3 secs Computing kpt #: 22 total cpu time spent up to now is 91.9 secs Computing kpt #: 23 total cpu time spent up to now is 94.5 secs Computing kpt #: 24 total cpu time spent up to now is 97.2 secs Computing kpt #: 25 total cpu time spent up to now is 99.8 secs Computing kpt #: 26 total cpu time spent up to now is 102.4 secs Computing kpt #: 27 total cpu time spent up to now is 105.2 secs Computing kpt #: 28 total cpu time spent up to now is 107.9 secs Computing kpt #: 29 total cpu time spent up to now is 110.6 secs Computing kpt #: 30 total cpu time spent up to now is 113.2 secs Computing kpt #: 31 total cpu time spent up to now is 115.8 secs Computing kpt #: 32 total cpu time spent up to now is 118.4 secs Computing kpt #: 33 total cpu time spent up to now is 121.1 secs Computing kpt #: 34 total cpu time spent up to now is 123.8 secs Computing kpt #: 35 total cpu time spent up to now is 126.4 secs Computing kpt #: 36 total cpu time spent up to now is 129.1 secs Computing kpt #: 37 total cpu time spent up to now is 131.8 secs Computing kpt #: 38 total cpu time spent up to now is 134.4 secs Computing kpt #: 39 total cpu time spent up to now is 137.9 secs Computing kpt #: 40 total cpu time spent up to now is 140.8 secs Computing kpt #: 41 total cpu time spent up to now is 143.6 secs Computing kpt #: 42 total cpu time spent up to now is 146.3 secs Computing kpt #: 43 total cpu time spent up to now is 148.9 secs Computing kpt #: 44 total cpu time spent up to now is 151.6 secs Computing kpt #: 45 total cpu time spent up to now is 154.4 secs Computing kpt #: 46 total cpu time spent up to now is 157.1 secs Computing kpt #: 47 total cpu time spent up to now is 159.8 secs Computing kpt #: 48 total cpu time spent up to now is 162.4 secs Computing kpt #: 49 total cpu time spent up to now is 165.2 secs Computing kpt #: 50 total cpu time spent up to now is 167.9 secs Computing kpt #: 51 total cpu time spent up to now is 170.7 secs Computing kpt #: 52 total cpu time spent up to now is 173.4 secs Computing kpt #: 53 total cpu time spent up to now is 176.3 secs Computing kpt #: 54 total cpu time spent up to now is 179.1 secs Computing kpt #: 55 total cpu time spent up to now is 182.0 secs Computing kpt #: 56 total cpu time spent up to now is 184.7 secs Computing kpt #: 57 total cpu time spent up to now is 187.6 secs Computing kpt #: 58 total cpu time spent up to now is 190.5 secs Computing kpt #: 59 total cpu time spent up to now is 193.4 secs Computing kpt #: 60 total cpu time spent up to now is 196.2 secs Computing kpt #: 61 total cpu time spent up to now is 199.1 secs Computing kpt #: 62 total cpu time spent up to now is 201.9 secs Computing kpt #: 63 total cpu time spent up to now is 204.7 secs Computing kpt #: 64 total cpu time spent up to now is 207.7 secs Computing kpt #: 65 total cpu time spent up to now is 210.5 secs Computing kpt #: 66 total cpu time spent up to now is 213.5 secs Computing kpt #: 67 total cpu time spent up to now is 216.5 secs Computing kpt #: 68 total cpu time spent up to now is 219.6 secs Computing kpt #: 69 total cpu time spent up to now is 222.5 secs Computing kpt #: 70 total cpu time spent up to now is 225.6 secs Computing kpt #: 71 total cpu time spent up to now is 228.6 secs Computing kpt #: 72 total cpu time spent up to now is 231.7 secs Computing kpt #: 73 total cpu time spent up to now is 234.8 secs Computing kpt #: 74 total cpu time spent up to now is 237.8 secs Computing kpt #: 75 total cpu time spent up to now is 240.8 secs Computing kpt #: 76 total cpu time spent up to now is 244.1 secs Computing kpt #: 77 total cpu time spent up to now is 247.5 secs Computing kpt #: 78 total cpu time spent up to now is 250.7 secs Computing kpt #: 79 total cpu time spent up to now is 253.9 secs Computing kpt #: 80 total cpu time spent up to now is 257.0 secs Computing kpt #: 81 total cpu time spent up to now is 260.1 secs Computing kpt #: 82 total cpu time spent up to now is 263.1 secs Computing kpt #: 83 total cpu time spent up to now is 266.2 secs Computing kpt #: 84 total cpu time spent up to now is 269.2 secs Computing kpt #: 85 total cpu time spent up to now is 272.1 secs Computing kpt #: 86 total cpu time spent up to now is 275.0 secs Computing kpt #: 87 total cpu time spent up to now is 277.9 secs Computing kpt #: 88 total cpu time spent up to now is 280.8 secs Computing kpt #: 89 total cpu time spent up to now is 283.7 secs Computing kpt #: 90 total cpu time spent up to now is 286.5 secs Computing kpt #: 91 total cpu time spent up to now is 289.5 secs Computing kpt #: 92 total cpu time spent up to now is 292.3 secs Computing kpt #: 93 total cpu time spent up to now is 295.1 secs Computing kpt #: 94 total cpu time spent up to now is 297.9 secs Computing kpt #: 95 total cpu time spent up to now is 300.6 secs Computing kpt #: 96 total cpu time spent up to now is 303.3 secs Computing kpt #: 97 total cpu time spent up to now is 305.9 secs Computing kpt #: 98 total cpu time spent up to now is 308.6 secs Computing kpt #: 99 total cpu time spent up to now is 311.3 secs Computing kpt #: 100 total cpu time spent up to now is 314.0 secs Computing kpt #: 101 total cpu time spent up to now is 316.7 secs Computing kpt #: 102 total cpu time spent up to now is 319.4 secs Computing kpt #: 103 total cpu time spent up to now is 322.1 secs Computing kpt #: 104 total cpu time spent up to now is 324.7 secs Computing kpt #: 105 total cpu time spent up to now is 327.5 secs Computing kpt #: 106 total cpu time spent up to now is 330.2 secs Computing kpt #: 107 total cpu time spent up to now is 332.9 secs Computing kpt #: 108 total cpu time spent up to now is 335.7 secs Computing kpt #: 109 total cpu time spent up to now is 338.6 secs Computing kpt #: 110 total cpu time spent up to now is 341.4 secs Computing kpt #: 111 total cpu time spent up to now is 344.2 secs Computing kpt #: 112 total cpu time spent up to now is 347.0 secs Computing kpt #: 113 total cpu time spent up to now is 349.7 secs Computing kpt #: 114 total cpu time spent up to now is 352.4 secs Computing kpt #: 115 total cpu time spent up to now is 355.1 secs Computing kpt #: 116 total cpu time spent up to now is 357.8 secs Computing kpt #: 117 total cpu time spent up to now is 360.4 secs Computing kpt #: 118 total cpu time spent up to now is 363.1 secs Computing kpt #: 119 total cpu time spent up to now is 365.7 secs Computing kpt #: 120 total cpu time spent up to now is 368.3 secs Computing kpt #: 121 total cpu time spent up to now is 370.9 secs Computing kpt #: 122 total cpu time spent up to now is 373.6 secs Computing kpt #: 123 total cpu time spent up to now is 376.2 secs Computing kpt #: 124 total cpu time spent up to now is 378.7 secs Computing kpt #: 125 total cpu time spent up to now is 381.2 secs Computing kpt #: 126 total cpu time spent up to now is 383.6 secs Computing kpt #: 127 total cpu time spent up to now is 386.2 secs Computing kpt #: 128 total cpu time spent up to now is 388.7 secs Computing kpt #: 129 total cpu time spent up to now is 391.2 secs Computing kpt #: 130 total cpu time spent up to now is 393.7 secs Computing kpt #: 131 total cpu time spent up to now is 396.1 secs Computing kpt #: 132 total cpu time spent up to now is 398.6 secs Computing kpt #: 133 total cpu time spent up to now is 401.0 secs Computing kpt #: 134 total cpu time spent up to now is 403.6 secs Computing kpt #: 135 total cpu time spent up to now is 406.0 secs Computing kpt #: 136 total cpu time spent up to now is 408.5 secs Computing kpt #: 137 total cpu time spent up to now is 411.0 secs Computing kpt #: 138 total cpu time spent up to now is 413.4 secs Computing kpt #: 139 total cpu time spent up to now is 415.8 secs Computing kpt #: 140 total cpu time spent up to now is 418.2 secs Computing kpt #: 141 total cpu time spent up to now is 420.6 secs Computing kpt #: 142 total cpu time spent up to now is 423.0 secs Computing kpt #: 143 total cpu time spent up to now is 425.4 secs Computing kpt #: 144 total cpu time spent up to now is 427.8 secs Computing kpt #: 145 total cpu time spent up to now is 430.2 secs Computing kpt #: 146 total cpu time spent up to now is 432.5 secs Computing kpt #: 147 total cpu time spent up to now is 434.9 secs Computing kpt #: 148 total cpu time spent up to now is 437.8 secs Computing kpt #: 149 total cpu time spent up to now is 440.3 secs Computing kpt #: 150 total cpu time spent up to now is 442.5 secs Computing kpt #: 151 total cpu time spent up to now is 444.6 secs Computing kpt #: 152 total cpu time spent up to now is 446.7 secs Computing kpt #: 153 total cpu time spent up to now is 448.7 secs Computing kpt #: 154 total cpu time spent up to now is 450.7 secs Computing kpt #: 155 total cpu time spent up to now is 452.7 secs Computing kpt #: 156 total cpu time spent up to now is 454.7 secs Computing kpt #: 157 total cpu time spent up to now is 456.7 secs Computing kpt #: 158 total cpu time spent up to now is 459.1 secs Computing kpt #: 159 total cpu time spent up to now is 461.4 secs Computing kpt #: 160 total cpu time spent up to now is 463.8 secs Computing kpt #: 161 total cpu time spent up to now is 466.4 secs Computing kpt #: 162 total cpu time spent up to now is 468.7 secs Computing kpt #: 163 total cpu time spent up to now is 471.2 secs Computing kpt #: 164 total cpu time spent up to now is 473.7 secs Computing kpt #: 165 total cpu time spent up to now is 476.2 secs Computing kpt #: 166 total cpu time spent up to now is 478.8 secs Computing kpt #: 167 total cpu time spent up to now is 481.3 secs Computing kpt #: 168 total cpu time spent up to now is 483.9 secs Computing kpt #: 169 total cpu time spent up to now is 486.3 secs Computing kpt #: 170 total cpu time spent up to now is 488.8 secs Computing kpt #: 171 total cpu time spent up to now is 491.3 secs Computing kpt #: 172 total cpu time spent up to now is 493.8 secs Computing kpt #: 173 total cpu time spent up to now is 496.4 secs Computing kpt #: 174 total cpu time spent up to now is 499.1 secs Computing kpt #: 175 total cpu time spent up to now is 501.8 secs Computing kpt #: 176 total cpu time spent up to now is 504.4 secs Computing kpt #: 177 total cpu time spent up to now is 507.2 secs Computing kpt #: 178 total cpu time spent up to now is 509.8 secs Computing kpt #: 179 total cpu time spent up to now is 512.5 secs Computing kpt #: 180 total cpu time spent up to now is 515.3 secs Computing kpt #: 181 total cpu time spent up to now is 518.0 secs Computing kpt #: 182 total cpu time spent up to now is 520.8 secs Computing kpt #: 183 total cpu time spent up to now is 523.7 secs Computing kpt #: 184 total cpu time spent up to now is 526.5 secs Computing kpt #: 185 total cpu time spent up to now is 529.2 secs Computing kpt #: 186 total cpu time spent up to now is 532.1 secs Computing kpt #: 187 total cpu time spent up to now is 534.9 secs Computing kpt #: 188 total cpu time spent up to now is 537.7 secs Computing kpt #: 189 total cpu time spent up to now is 540.6 secs Computing kpt #: 190 total cpu time spent up to now is 543.5 secs Computing kpt #: 191 total cpu time spent up to now is 546.4 secs Computing kpt #: 192 total cpu time spent up to now is 549.6 secs Computing kpt #: 193 total cpu time spent up to now is 552.5 secs Computing kpt #: 194 total cpu time spent up to now is 555.5 secs Computing kpt #: 195 total cpu time spent up to now is 558.4 secs Computing kpt #: 196 total cpu time spent up to now is 561.5 secs Computing kpt #: 197 total cpu time spent up to now is 564.4 secs Computing kpt #: 198 total cpu time spent up to now is 567.4 secs Computing kpt #: 199 total cpu time spent up to now is 570.4 secs Computing kpt #: 200 total cpu time spent up to now is 573.4 secs Computing kpt #: 201 total cpu time spent up to now is 576.5 secs Computing kpt #: 202 total cpu time spent up to now is 579.5 secs Computing kpt #: 203 total cpu time spent up to now is 582.6 secs Computing kpt #: 204 total cpu time spent up to now is 585.7 secs Computing kpt #: 205 total cpu time spent up to now is 588.6 secs Computing kpt #: 206 total cpu time spent up to now is 591.9 secs Computing kpt #: 207 total cpu time spent up to now is 594.8 secs Computing kpt #: 208 total cpu time spent up to now is 597.9 secs Computing kpt #: 209 total cpu time spent up to now is 600.8 secs Computing kpt #: 210 total cpu time spent up to now is 603.7 secs Computing kpt #: 211 total cpu time spent up to now is 606.6 secs Computing kpt #: 212 total cpu time spent up to now is 609.5 secs Computing kpt #: 213 total cpu time spent up to now is 612.5 secs Computing kpt #: 214 total cpu time spent up to now is 615.4 secs Computing kpt #: 215 total cpu time spent up to now is 618.4 secs Computing kpt #: 216 total cpu time spent up to now is 621.4 secs Computing kpt #: 217 total cpu time spent up to now is 624.5 secs Computing kpt #: 218 total cpu time spent up to now is 627.7 secs Computing kpt #: 219 total cpu time spent up to now is 630.6 secs Computing kpt #: 220 total cpu time spent up to now is 633.7 secs Computing kpt #: 221 total cpu time spent up to now is 636.7 secs Computing kpt #: 222 total cpu time spent up to now is 639.7 secs Computing kpt #: 223 total cpu time spent up to now is 642.7 secs Computing kpt #: 224 total cpu time spent up to now is 645.8 secs Computing kpt #: 225 total cpu time spent up to now is 648.8 secs Computing kpt #: 226 total cpu time spent up to now is 651.9 secs Computing kpt #: 227 total cpu time spent up to now is 654.9 secs Computing kpt #: 228 total cpu time spent up to now is 658.0 secs Computing kpt #: 229 total cpu time spent up to now is 661.1 secs Computing kpt #: 230 total cpu time spent up to now is 664.2 secs Computing kpt #: 231 total cpu time spent up to now is 667.4 secs Computing kpt #: 232 total cpu time spent up to now is 670.7 secs Computing kpt #: 233 total cpu time spent up to now is 673.9 secs Computing kpt #: 234 total cpu time spent up to now is 677.0 secs Computing kpt #: 235 total cpu time spent up to now is 680.1 secs Computing kpt #: 236 total cpu time spent up to now is 683.2 secs Computing kpt #: 237 total cpu time spent up to now is 686.2 secs Computing kpt #: 238 total cpu time spent up to now is 689.1 secs Computing kpt #: 239 total cpu time spent up to now is 692.1 secs Computing kpt #: 240 total cpu time spent up to now is 695.0 secs Computing kpt #: 241 total cpu time spent up to now is 697.9 secs Computing kpt #: 242 total cpu time spent up to now is 700.8 secs Computing kpt #: 243 total cpu time spent up to now is 703.6 secs Computing kpt #: 244 total cpu time spent up to now is 706.6 secs Computing kpt #: 245 total cpu time spent up to now is 709.4 secs Computing kpt #: 246 total cpu time spent up to now is 712.2 secs Computing kpt #: 247 total cpu time spent up to now is 715.1 secs Computing kpt #: 248 total cpu time spent up to now is 717.9 secs Computing kpt #: 249 total cpu time spent up to now is 720.7 secs Computing kpt #: 250 total cpu time spent up to now is 723.4 secs Computing kpt #: 251 total cpu time spent up to now is 726.0 secs Computing kpt #: 252 total cpu time spent up to now is 728.7 secs Computing kpt #: 253 total cpu time spent up to now is 731.3 secs Computing kpt #: 254 total cpu time spent up to now is 734.0 secs Computing kpt #: 255 total cpu time spent up to now is 737.4 secs Computing kpt #: 256 total cpu time spent up to now is 741.9 secs Computing kpt #: 257 total cpu time spent up to now is 744.8 secs Computing kpt #: 258 total cpu time spent up to now is 747.6 secs Computing kpt #: 259 total cpu time spent up to now is 750.3 secs Computing kpt #: 260 total cpu time spent up to now is 753.1 secs Computing kpt #: 261 total cpu time spent up to now is 756.0 secs Computing kpt #: 262 total cpu time spent up to now is 758.8 secs Computing kpt #: 263 total cpu time spent up to now is 761.6 secs Computing kpt #: 264 total cpu time spent up to now is 764.4 secs Computing kpt #: 265 total cpu time spent up to now is 767.3 secs Computing kpt #: 266 total cpu time spent up to now is 770.2 secs Computing kpt #: 267 total cpu time spent up to now is 773.0 secs Computing kpt #: 268 total cpu time spent up to now is 776.0 secs Computing kpt #: 269 total cpu time spent up to now is 779.0 secs Computing kpt #: 270 total cpu time spent up to now is 781.9 secs Computing kpt #: 271 total cpu time spent up to now is 785.0 secs Computing kpt #: 272 total cpu time spent up to now is 788.0 secs Computing kpt #: 273 total cpu time spent up to now is 791.0 secs Computing kpt #: 274 total cpu time spent up to now is 794.0 secs Computing kpt #: 275 total cpu time spent up to now is 797.0 secs Computing kpt #: 276 total cpu time spent up to now is 800.0 secs Computing kpt #: 277 total cpu time spent up to now is 803.1 secs Computing kpt #: 278 total cpu time spent up to now is 806.0 secs Computing kpt #: 279 total cpu time spent up to now is 809.0 secs Computing kpt #: 280 total cpu time spent up to now is 812.1 secs Computing kpt #: 281 total cpu time spent up to now is 815.2 secs Computing kpt #: 282 total cpu time spent up to now is 818.2 secs Computing kpt #: 283 total cpu time spent up to now is 821.2 secs Computing kpt #: 284 total cpu time spent up to now is 824.3 secs Computing kpt #: 285 total cpu time spent up to now is 827.5 secs Computing kpt #: 286 total cpu time spent up to now is 830.6 secs Computing kpt #: 287 total cpu time spent up to now is 833.6 secs Computing kpt #: 288 total cpu time spent up to now is 836.6 secs Computing kpt #: 289 total cpu time spent up to now is 839.6 secs Computing kpt #: 290 total cpu time spent up to now is 842.7 secs Computing kpt #: 291 total cpu time spent up to now is 845.6 secs Computing kpt #: 292 total cpu time spent up to now is 848.6 secs Computing kpt #: 293 total cpu time spent up to now is 851.5 secs Computing kpt #: 294 total cpu time spent up to now is 854.4 secs Computing kpt #: 295 total cpu time spent up to now is 857.4 secs Computing kpt #: 296 total cpu time spent up to now is 860.3 secs Computing kpt #: 297 total cpu time spent up to now is 863.2 secs Computing kpt #: 298 total cpu time spent up to now is 866.2 secs Computing kpt #: 299 total cpu time spent up to now is 869.1 secs ethr = 2.50E-11, avg # of iterations = 33.6 total cpu time spent up to now is 869.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9533 PWs) bands (ev): -41.9625 -41.9625 -41.4006 -41.4006 -41.3447 -41.3447 -41.3447 -41.3447 -18.1766 -18.1766 -13.8200 -13.8200 -13.8195 -13.8195 -13.3646 -13.3646 -4.5121 -4.5121 -2.0819 -2.0819 -2.0022 -2.0022 -1.9960 -1.9960 0.6160 0.6160 0.6160 0.6160 2.5568 2.5568 2.8083 2.8083 2.8268 2.8268 3.6874 3.6874 3.7042 3.7042 3.7082 3.7082 7.1051 7.1051 10.7186 10.7186 10.8516 10.8516 10.8547 10.8547 k = 0.0135-0.0012-0.0011 ( 9533 PWs) bands (ev): -41.9625 -41.9625 -41.4007 -41.4007 -41.3447 -41.3447 -41.3446 -41.3446 -18.1765 -18.1765 -13.8201 -13.8201 -13.8196 -13.8196 -13.3647 -13.3647 -4.5115 -4.5115 -2.0828 -2.0823 -2.0024 -2.0023 -1.9964 -1.9959 0.6161 0.6161 0.6167 0.6168 2.5562 2.5566 2.8072 2.8077 2.8260 2.8261 3.6819 3.6895 3.6981 3.7017 3.7131 3.7172 7.1064 7.1065 10.7068 10.7079 10.8536 10.8540 10.8627 10.8638 k = 0.0270-0.0025-0.0023 ( 9535 PWs) bands (ev): -41.9625 -41.9625 -41.4008 -41.4008 -41.3447 -41.3447 -41.3445 -41.3445 -18.1762 -18.1762 -13.8205 -13.8205 -13.8196 -13.8196 -13.3650 -13.3650 -4.5098 -4.5098 -2.0850 -2.0840 -2.0030 -2.0028 -1.9971 -1.9960 0.6164 0.6165 0.6190 0.6191 2.5548 2.5557 2.8046 2.8056 2.8236 2.8237 3.6749 3.6852 3.6956 3.7006 3.7230 3.7286 7.1105 7.1107 10.6792 10.6808 10.8567 10.8570 10.8853 10.8872 k = 0.0405-0.0037-0.0034 ( 9543 PWs) bands (ev): -41.9625 -41.9625 -41.4011 -41.4011 -41.3447 -41.3447 -41.3443 -41.3443 -18.1757 -18.1757 -13.8214 -13.8214 -13.8195 -13.8195 -13.3654 -13.3654 -4.5070 -4.5070 -2.0883 -2.0869 -2.0041 -2.0038 -1.9981 -1.9963 0.6170 0.6170 0.6229 0.6230 2.5526 2.5539 2.8003 2.8019 2.8197 2.8198 3.6673 3.6773 3.6966 3.7009 3.7350 3.7411 7.1172 7.1175 10.6443 10.6460 10.8614 10.8618 10.9132 10.9155 k = 0.0541-0.0049-0.0045 ( 9550 PWs) bands (ev): -41.9624 -41.9624 -41.4014 -41.4014 -41.3447 -41.3447 -41.3440 -41.3440 -18.1751 -18.1751 -13.8227 -13.8226 -13.8193 -13.8193 -13.3661 -13.3661 -4.5031 -4.5031 -2.0927 -2.0909 -2.0060 -2.0056 -1.9990 -1.9967 0.6178 0.6178 0.6282 0.6284 2.5495 2.5513 2.7945 2.7968 2.8144 2.8145 3.6597 3.6692 3.6982 3.7019 3.7486 3.7549 7.1264 7.1269 10.6061 10.6077 10.8680 10.8684 10.9426 10.9450 k = 0.0676-0.0062-0.0057 ( 9544 PWs) bands (ev): -41.9624 -41.9624 -41.4018 -41.4018 -41.3447 -41.3447 -41.3436 -41.3436 -18.1743 -18.1743 -13.8243 -13.8242 -13.8191 -13.8191 -13.3670 -13.3670 -4.4981 -4.4980 -2.0980 -2.0959 -2.0086 -2.0081 -1.9999 -1.9973 0.6188 0.6189 0.6351 0.6354 2.5453 2.5476 2.7872 2.7902 2.8079 2.8080 3.6521 3.6611 3.7004 3.7037 3.7637 3.7700 7.1381 7.1386 10.5665 10.5681 10.8764 10.8769 10.9719 10.9744 k = 0.0811-0.0074-0.0068 ( 9542 PWs) bands (ev): -41.9623 -41.9623 -41.4024 -41.4024 -41.3447 -41.3447 -41.3432 -41.3432 -18.1733 -18.1733 -13.8262 -13.8262 -13.8188 -13.8188 -13.3680 -13.3680 -4.4920 -4.4920 -2.1041 -2.1017 -2.0120 -2.0114 -2.0010 -1.9981 0.6201 0.6201 0.6435 0.6438 2.5400 2.5427 2.7784 2.7823 2.8003 2.8005 3.6444 3.6529 3.7031 3.7062 3.7802 3.7864 7.1518 7.1525 10.5266 10.5280 10.8866 10.8872 11.0005 11.0031 k = 0.0946-0.0086-0.0080 ( 9535 PWs) bands (ev): -41.9622 -41.9622 -41.4029 -41.4029 -41.3447 -41.3447 -41.3426 -41.3426 -18.1722 -18.1722 -13.8285 -13.8285 -13.8184 -13.8184 -13.3691 -13.3691 -4.4849 -4.4849 -2.1108 -2.1083 -2.0159 -2.0154 -2.0024 -1.9992 0.6216 0.6216 0.6534 0.6537 2.5333 2.5364 2.7685 2.7732 2.7917 2.7923 3.6365 3.6447 3.7064 3.7093 3.7980 3.8040 7.1675 7.1683 10.4872 10.4885 10.8987 10.8994 11.0284 11.0310 k = 0.1081-0.0099-0.0091 ( 9532 PWs) bands (ev): -41.9621 -41.9621 -41.4036 -41.4036 -41.3447 -41.3447 -41.3421 -41.3421 -18.1709 -18.1709 -13.8311 -13.8311 -13.8180 -13.8180 -13.3704 -13.3704 -4.4769 -4.4769 -2.1182 -2.1154 -2.0205 -2.0201 -2.0041 -2.0008 0.6233 0.6234 0.6647 0.6651 2.5249 2.5285 2.7577 2.7631 2.7825 2.7833 3.6285 3.6363 3.7104 3.7133 3.8170 3.8227 7.1848 7.1857 10.4488 10.4500 10.9126 10.9134 11.0556 11.0582 k = 0.1216-0.0111-0.0102 ( 9536 PWs) bands (ev): -41.9620 -41.9620 -41.4043 -41.4043 -41.3447 -41.3447 -41.3415 -41.3415 -18.1695 -18.1695 -13.8340 -13.8340 -13.8176 -13.8176 -13.3719 -13.3719 -4.4679 -4.4679 -2.1260 -2.1231 -2.0257 -2.0252 -2.0063 -2.0029 0.6253 0.6253 0.6775 0.6779 2.5146 2.5186 2.7464 2.7525 2.7728 2.7738 3.6203 3.6276 3.7152 3.7180 3.8371 3.8425 7.2035 7.2044 10.4121 10.4131 10.9283 10.9291 11.0822 11.0848 k = 0.1351-0.0124-0.0114 ( 9541 PWs) bands (ev): -41.9619 -41.9619 -41.4050 -41.4050 -41.3447 -41.3447 -41.3408 -41.3408 -18.1679 -18.1679 -13.8372 -13.8372 -13.8171 -13.8171 -13.3734 -13.3734 -4.4581 -4.4581 -2.1341 -2.1311 -2.0313 -2.0309 -2.0091 -2.0056 0.6275 0.6275 0.6917 0.6921 2.5020 2.5063 2.7350 2.7416 2.7627 2.7639 3.6118 3.6188 3.7208 3.7235 3.8581 3.8633 7.2231 7.2241 10.3774 10.3782 10.9457 10.9466 11.1083 11.1109 k = 0.1486-0.0136-0.0125 ( 9541 PWs) bands (ev): -41.9618 -41.9618 -41.4058 -41.4058 -41.3447 -41.3447 -41.3401 -41.3401 -18.1663 -18.1663 -13.8407 -13.8407 -13.8166 -13.8166 -13.3750 -13.3750 -4.4475 -4.4475 -2.1426 -2.1394 -2.0374 -2.0370 -2.0124 -2.0088 0.6299 0.6299 0.7072 0.7077 2.4870 2.4915 2.7238 2.7308 2.7523 2.7537 3.6030 3.6096 3.7272 3.7298 3.8799 3.8848 7.2434 7.2445 10.3451 10.3458 10.9649 10.9658 11.1342 11.1367 k = 0.1622-0.0148-0.0136 ( 9533 PWs) bands (ev): -41.9617 -41.9617 -41.4067 -41.4067 -41.3446 -41.3446 -41.3394 -41.3394 -18.1645 -18.1645 -13.8444 -13.8444 -13.8161 -13.8161 -13.3767 -13.3767 -4.4362 -4.4362 -2.1512 -2.1480 -2.0439 -2.0436 -2.0162 -2.0126 0.6325 0.6326 0.7242 0.7246 2.4692 2.4738 2.7134 2.7205 2.7418 2.7432 3.5940 3.6003 3.7343 3.7369 3.9024 3.9070 7.2641 7.2652 10.3156 10.3162 10.9856 10.9866 11.1599 11.1624 k = 0.1757-0.0161-0.0148 ( 9530 PWs) bands (ev): -41.9616 -41.9616 -41.4075 -41.4075 -41.3446 -41.3446 -41.3386 -41.3386 -18.1626 -18.1626 -13.8484 -13.8483 -13.8155 -13.8155 -13.3785 -13.3785 -4.4242 -4.4242 -2.1599 -2.1566 -2.0507 -2.0504 -2.0206 -2.0170 0.6353 0.6354 0.7424 0.7429 2.4485 2.4531 2.7038 2.7109 2.7313 2.7328 3.5847 3.5907 3.7422 3.7447 3.9254 3.9298 7.2848 7.2860 10.2892 10.2897 11.0080 11.0091 11.1856 11.1880 k = 0.1892-0.0173-0.0159 ( 9534 PWs) bands (ev): -41.9614 -41.9614 -41.4084 -41.4084 -41.3446 -41.3446 -41.3379 -41.3379 -18.1606 -18.1606 -13.8525 -13.8525 -13.8149 -13.8149 -13.3803 -13.3803 -4.4117 -4.4116 -2.1686 -2.1653 -2.0579 -2.0576 -2.0256 -2.0219 0.6384 0.6384 0.7619 0.7624 2.4250 2.4295 2.6952 2.7021 2.7210 2.7223 3.5752 3.5809 3.7509 3.7533 3.9487 3.9528 7.3052 7.3064 10.2661 10.2665 11.0319 11.0330 11.2113 11.2138 k = 0.2027-0.0185-0.0170 ( 9539 PWs) bands (ev): -41.9613 -41.9613 -41.4093 -41.4093 -41.3446 -41.3446 -41.3371 -41.3371 -18.1585 -18.1585 -13.8569 -13.8569 -13.8143 -13.8143 -13.3821 -13.3821 -4.3986 -4.3986 -2.1773 -2.1739 -2.0653 -2.0650 -2.0311 -2.0274 0.6416 0.6417 0.7827 0.7832 2.3988 2.4030 2.6876 2.6939 2.7111 2.7122 3.5655 3.5710 3.7601 3.7625 3.9723 3.9761 7.3250 7.3263 10.2465 10.2468 11.0572 11.0583 11.2372 11.2396 k = 0.2162-0.0198-0.0182 ( 9541 PWs) bands (ev): -41.9612 -41.9612 -41.4102 -41.4102 -41.3446 -41.3446 -41.3364 -41.3364 -18.1564 -18.1564 -13.8614 -13.8614 -13.8136 -13.8136 -13.3839 -13.3839 -4.3852 -4.3852 -2.1858 -2.1824 -2.0729 -2.0726 -2.0371 -2.0334 0.6450 0.6451 0.8047 0.8052 2.3699 2.3739 2.6806 2.6861 2.7019 2.7025 3.5558 3.5609 3.7700 3.7722 3.9958 3.9994 7.3441 7.3453 10.2305 10.2307 11.0838 11.0850 11.2633 11.2656 k = 0.2297-0.0210-0.0193 ( 9535 PWs) bands (ev): -41.9610 -41.9610 -41.4111 -41.4111 -41.3446 -41.3446 -41.3356 -41.3356 -18.1543 -18.1543 -13.8660 -13.8660 -13.8130 -13.8130 -13.3857 -13.3857 -4.3715 -4.3714 -2.1942 -2.1907 -2.0806 -2.0804 -2.0437 -2.0399 0.6486 0.6486 0.8278 0.8283 2.3388 2.3425 2.6738 2.6780 2.6938 2.6942 3.5459 3.5508 3.7803 3.7824 4.0193 4.0226 7.3620 7.3633 10.2182 10.2183 11.1116 11.1129 11.2896 11.2919 k = 0.2432-0.0222-0.0204 ( 9537 PWs) bands (ev): -41.9609 -41.9609 -41.4120 -41.4120 -41.3446 -41.3446 -41.3349 -41.3349 -18.1521 -18.1521 -13.8708 -13.8708 -13.8123 -13.8123 -13.3874 -13.3874 -4.3575 -4.3575 -2.2023 -2.1988 -2.0884 -2.0882 -2.0506 -2.0469 0.6522 0.6523 0.8521 0.8526 2.3056 2.3091 2.6667 2.6694 2.6865 2.6880 3.5361 3.5407 3.7910 3.7930 4.0424 4.0456 7.3788 7.3800 10.2095 10.2096 11.1406 11.1418 11.3162 11.3183 k = 0.2568-0.0235-0.0216 ( 9551 PWs) bands (ev): -41.9607 -41.9607 -41.4129 -41.4129 -41.3446 -41.3446 -41.3341 -41.3341 -18.1499 -18.1499 -13.8756 -13.8756 -13.8116 -13.8116 -13.3892 -13.3892 -4.3435 -4.3434 -2.2100 -2.2066 -2.0963 -2.0960 -2.0580 -2.0542 0.6560 0.6561 0.8774 0.8779 2.2707 2.2738 2.6589 2.6603 2.6809 2.6834 3.5262 3.5306 3.8020 3.8039 4.0652 4.0681 7.3941 7.3954 10.2044 10.2044 11.1704 11.1717 11.3428 11.3450 k = 0.2703-0.0247-0.0227 ( 9545 PWs) bands (ev): -41.9606 -41.9606 -41.4137 -41.4137 -41.3446 -41.3446 -41.3334 -41.3334 -18.1477 -18.1477 -13.8804 -13.8804 -13.8110 -13.8110 -13.3909 -13.3909 -4.3294 -4.3294 -2.2175 -2.2140 -2.1040 -2.1038 -2.0657 -2.0619 0.6599 0.6600 0.9038 0.9043 2.2342 2.2371 2.6504 2.6510 2.6769 2.6799 3.5165 3.5207 3.8131 3.8149 4.0875 4.0902 7.4080 7.4092 10.2027 10.2028 11.2010 11.2023 11.3696 11.3717 k = 0.2838-0.0259-0.0239 ( 9551 PWs) bands (ev): -41.9604 -41.9604 -41.4146 -41.4146 -41.3446 -41.3446 -41.3327 -41.3327 -18.1455 -18.1455 -13.8852 -13.8852 -13.8103 -13.8103 -13.3925 -13.3925 -4.3154 -4.3154 -2.2245 -2.2210 -2.1117 -2.1115 -2.0737 -2.0699 0.6638 0.6639 0.9311 0.9316 2.1966 2.1992 2.6417 2.6417 2.6741 2.6772 3.5070 3.5109 3.8243 3.8260 4.1091 4.1117 7.4204 7.4216 10.2043 10.2044 11.2321 11.2334 11.3965 11.3985 k = 0.2973-0.0272-0.0250 ( 9557 PWs) bands (ev): -41.9603 -41.9603 -41.4154 -41.4154 -41.3446 -41.3446 -41.3320 -41.3320 -18.1434 -18.1434 -13.8899 -13.8899 -13.8097 -13.8097 -13.3940 -13.3940 -4.3016 -4.3016 -2.2310 -2.2276 -2.1193 -2.1191 -2.0819 -2.0782 0.6678 0.6679 0.9594 0.9598 2.1579 2.1603 2.6326 2.6329 2.6720 2.6752 3.4976 3.5013 3.8354 3.8370 4.1300 4.1324 7.4313 7.4324 10.2089 10.2090 11.2636 11.2649 11.4232 11.4251 k = 0.3108-0.0284-0.0261 ( 9551 PWs) bands (ev): -41.9601 -41.9601 -41.4161 -41.4161 -41.3446 -41.3446 -41.3314 -41.3314 -18.1413 -18.1413 -13.8946 -13.8945 -13.8091 -13.8091 -13.3955 -13.3955 -4.2881 -4.2881 -2.2371 -2.2337 -2.1266 -2.1264 -2.0903 -2.0866 0.6717 0.6718 0.9885 0.9889 2.1185 2.1207 2.6239 2.6243 2.6706 2.6736 3.4886 3.4920 3.8464 3.8478 4.1500 4.1522 7.4406 7.4417 10.2162 10.2163 11.2952 11.2965 11.4498 11.4516 k = 0.3243-0.0296-0.0273 ( 9567 PWs) bands (ev): -41.9600 -41.9600 -41.4169 -41.4169 -41.3446 -41.3446 -41.3308 -41.3308 -18.1393 -18.1393 -13.8991 -13.8991 -13.8085 -13.8085 -13.3969 -13.3969 -4.2750 -4.2750 -2.2426 -2.2392 -2.1337 -2.1335 -2.0987 -2.0951 0.6756 0.6757 1.0185 1.0188 2.0784 2.0805 2.6155 2.6160 2.6696 2.6725 3.4799 3.4831 3.8571 3.8584 4.1691 4.1711 7.4485 7.4495 10.2258 10.2260 11.3267 11.3279 11.4760 11.4777 k = 0.3378-0.0309-0.0284 ( 9563 PWs) bands (ev): -41.9599 -41.9599 -41.4176 -41.4176 -41.3446 -41.3446 -41.3302 -41.3302 -18.1373 -18.1373 -13.9034 -13.9034 -13.8079 -13.8079 -13.3982 -13.3982 -4.2624 -4.2624 -2.2475 -2.2443 -2.1405 -2.1403 -2.1072 -2.1036 0.6794 0.6795 1.0491 1.0494 2.0381 2.0399 2.6075 2.6081 2.6689 2.6716 3.4716 3.4746 3.8674 3.8686 4.1871 4.1889 7.4551 7.4560 10.2373 10.2375 11.3577 11.3589 11.5017 11.5033 k = 0.3514-0.0321-0.0295 ( 9557 PWs) bands (ev): -41.9597 -41.9597 -41.4182 -41.4182 -41.3446 -41.3446 -41.3297 -41.3297 -18.1355 -18.1355 -13.9076 -13.9076 -13.8073 -13.8073 -13.3994 -13.3994 -4.2503 -4.2503 -2.2519 -2.2487 -2.1470 -2.1467 -2.1156 -2.1120 0.6831 0.6831 1.0804 1.0807 1.9975 1.9992 2.6000 2.6006 2.6685 2.6710 3.4638 3.4665 3.8773 3.8784 4.2040 4.2056 7.4604 7.4613 10.2504 10.2505 11.3880 11.3892 11.5267 11.5282 k = 0.3649-0.0334-0.0307 ( 9547 PWs) bands (ev): -41.9596 -41.9596 -41.4188 -41.4188 -41.3446 -41.3446 -41.3292 -41.3292 -18.1338 -18.1338 -13.9115 -13.9115 -13.8068 -13.8068 -13.4005 -13.4005 -4.2390 -4.2390 -2.2557 -2.2526 -2.1530 -2.1528 -2.1237 -2.1203 0.6866 0.6867 1.1123 1.1125 1.9569 1.9585 2.5930 2.5936 2.6683 2.6706 3.4565 3.4589 3.8866 3.8876 4.2197 4.2212 7.4647 7.4655 10.2644 10.2646 11.4173 11.4184 11.5507 11.5521 k = 0.3784-0.0346-0.0318 ( 9545 PWs) bands (ev): -41.9595 -41.9595 -41.4194 -41.4194 -41.3446 -41.3446 -41.3287 -41.3287 -18.1321 -18.1321 -13.9152 -13.9152 -13.8063 -13.8063 -13.4016 -13.4016 -4.2284 -4.2284 -2.2589 -2.2559 -2.1586 -2.1584 -2.1316 -2.1283 0.6899 0.6900 1.1445 1.1447 1.9166 1.9180 2.5866 2.5871 2.6683 2.6703 3.4497 3.4519 3.8953 3.8962 4.2341 4.2354 7.4680 7.4687 10.2790 10.2791 11.4452 11.4462 11.5735 11.5749 k = 0.3919-0.0358-0.0329 ( 9540 PWs) bands (ev): -41.9594 -41.9594 -41.4199 -41.4199 -41.3446 -41.3446 -41.3283 -41.3283 -18.1307 -18.1307 -13.9186 -13.9186 -13.8059 -13.8059 -13.4025 -13.4025 -4.2187 -4.2187 -2.2615 -2.2587 -2.1638 -2.1635 -2.1392 -2.1360 0.6930 0.6930 1.1770 1.1771 1.8767 1.8780 2.5807 2.5813 2.6683 2.6701 3.4435 3.4455 3.9033 3.9041 4.2471 4.2483 7.4705 7.4711 10.2936 10.2938 11.4713 11.4723 11.5950 11.5962 k = 0.4054-0.0371-0.0341 ( 9546 PWs) bands (ev): -41.9593 -41.9593 -41.4203 -41.4203 -41.3446 -41.3446 -41.3280 -41.3280 -18.1293 -18.1293 -13.9216 -13.9216 -13.8055 -13.8055 -13.4033 -13.4033 -4.2099 -4.2099 -2.2636 -2.2610 -2.1684 -2.1681 -2.1462 -2.1432 0.6958 0.6958 1.2096 1.2096 1.8376 1.8387 2.5755 2.5760 2.6684 2.6700 3.4380 3.4398 3.9105 3.9112 4.2588 4.2598 7.4723 7.4729 10.3078 10.3080 11.4955 11.4963 11.6147 11.6158 k = 0.4189-0.0383-0.0352 ( 9549 PWs) bands (ev): -41.9592 -41.9592 -41.4207 -41.4207 -41.3446 -41.3446 -41.3276 -41.3276 -18.1282 -18.1282 -13.9243 -13.9243 -13.8052 -13.8052 -13.4040 -13.4040 -4.2022 -4.2022 -2.2652 -2.2628 -2.1725 -2.1722 -2.1526 -2.1499 0.6983 0.6983 1.2418 1.2418 1.7995 1.8006 2.5709 2.5714 2.6686 2.6700 3.4332 3.4347 3.9169 3.9175 4.2690 4.2698 7.4736 7.4741 10.3212 10.3214 11.5172 11.5180 11.6326 11.6335 k = 0.4324-0.0395-0.0364 ( 9539 PWs) bands (ev): -41.9592 -41.9592 -41.4210 -41.4210 -41.3446 -41.3446 -41.3274 -41.3274 -18.1271 -18.1271 -13.9266 -13.9266 -13.8049 -13.8049 -13.4046 -13.4046 -4.1955 -4.1955 -2.2662 -2.2641 -2.1760 -2.1757 -2.1582 -2.1558 0.7004 0.7005 1.2733 1.2733 1.7631 1.7640 2.5670 2.5674 2.6688 2.6700 3.4291 3.4303 3.9224 3.9229 4.2777 4.2784 7.4744 7.4749 10.3334 10.3335 11.5363 11.5369 11.6482 11.6490 k = 0.4459-0.0408-0.0375 ( 9545 PWs) bands (ev): -41.9591 -41.9591 -41.4213 -41.4213 -41.3446 -41.3446 -41.3271 -41.3271 -18.1263 -18.1263 -13.9286 -13.9286 -13.8046 -13.8046 -13.4051 -13.4051 -4.1900 -4.1900 -2.2669 -2.2652 -2.1789 -2.1786 -2.1630 -2.1610 0.7023 0.7023 1.3032 1.3033 1.7290 1.7298 2.5638 2.5641 2.6690 2.6699 3.4257 3.4267 3.9270 3.9274 4.2849 4.2854 7.4750 7.4753 10.3439 10.3439 11.5523 11.5529 11.6614 11.6620 k = 0.4595-0.0420-0.0386 ( 9543 PWs) bands (ev): -41.9591 -41.9591 -41.4215 -41.4215 -41.3446 -41.3446 -41.3270 -41.3270 -18.1256 -18.1256 -13.9301 -13.9301 -13.8044 -13.8044 -13.4054 -13.4054 -4.1856 -4.1856 -2.2673 -2.2659 -2.1812 -2.1810 -2.1668 -2.1652 0.7037 0.7037 1.3304 1.3305 1.6986 1.6992 2.5613 2.5615 2.6692 2.6699 3.4230 3.4238 3.9306 3.9309 4.2905 4.2909 7.4753 7.4756 10.3524 10.3524 11.5651 11.5655 11.6719 11.6724 k = 0.4730-0.0432-0.0398 ( 9543 PWs) bands (ev): -41.9590 -41.9590 -41.4217 -41.4217 -41.3446 -41.3446 -41.3268 -41.3268 -18.1252 -18.1252 -13.9312 -13.9312 -13.8043 -13.8043 -13.4057 -13.4057 -4.1824 -4.1824 -2.2674 -2.2665 -2.1828 -2.1827 -2.1695 -2.1684 0.7047 0.7048 1.3531 1.3533 1.6736 1.6741 2.5595 2.5596 2.6694 2.6699 3.4212 3.4217 3.9332 3.9334 4.2945 4.2948 7.4756 7.4757 10.3586 10.3587 11.5744 11.5747 11.6796 11.6799 k = 0.4865-0.0445-0.0409 ( 9545 PWs) bands (ev): -41.9590 -41.9590 -41.4218 -41.4218 -41.3446 -41.3446 -41.3268 -41.3268 -18.1249 -18.1249 -13.9318 -13.9318 -13.8042 -13.8042 -13.4059 -13.4059 -4.1805 -4.1805 -2.2674 -2.2669 -2.1838 -2.1837 -2.1710 -2.1705 0.7054 0.7054 1.3687 1.3688 1.6567 1.6570 2.5584 2.5585 2.6696 2.6698 3.4201 3.4204 3.9348 3.9349 4.2970 4.2972 7.4757 7.4758 10.3625 10.3625 11.5801 11.5803 11.6843 11.6845 k = 0.5000-0.0457-0.0420 ( 9542 PWs) bands (ev): -41.9590 -41.9590 -41.4218 -41.4218 -41.3446 -41.3446 -41.3267 -41.3267 -18.1248 -18.1248 -13.9321 -13.9321 -13.8042 -13.8042 -13.4059 -13.4059 -4.1799 -4.1799 -2.2672 -2.2672 -2.1841 -2.1841 -2.1714 -2.1714 0.7056 0.7056 1.3744 1.3744 1.6508 1.6508 2.5581 2.5581 2.6697 2.6697 3.4198 3.4198 3.9354 3.9354 4.2979 4.2979 7.4757 7.4757 10.3638 10.3638 11.5821 11.5821 11.6859 11.6859 k = 0.5000-0.0457-0.0420 ( 9542 PWs) bands (ev): -41.9590 -41.9590 -41.4218 -41.4218 -41.3446 -41.3446 -41.3267 -41.3267 -18.1248 -18.1248 -13.9321 -13.9321 -13.8042 -13.8042 -13.4059 -13.4059 -4.1799 -4.1799 -2.2672 -2.2672 -2.1841 -2.1841 -2.1714 -2.1714 0.7056 0.7056 1.3744 1.3744 1.6508 1.6508 2.5581 2.5581 2.6697 2.6697 3.4198 3.4198 3.9354 3.9354 4.2979 4.2979 7.4757 7.4757 10.3638 10.3638 11.5821 11.5821 11.6859 11.6859 k = 0.5000-0.0365-0.0521 ( 9540 PWs) bands (ev): -41.9590 -41.9590 -41.4218 -41.4218 -41.3446 -41.3446 -41.3267 -41.3267 -18.1247 -18.1247 -13.9320 -13.9320 -13.8043 -13.8043 -13.4061 -13.4061 -4.1794 -4.1794 -2.2683 -2.2675 -2.1951 -2.1908 -2.1646 -2.1602 0.7059 0.7060 1.3744 1.3745 1.6505 1.6508 2.5569 2.5585 2.6691 2.6702 3.4200 3.4206 3.9357 3.9361 4.2974 4.2975 7.4750 7.4751 10.3653 10.3654 11.5809 11.5811 11.6873 11.6876 k = 0.5000-0.0272-0.0621 ( 9544 PWs) bands (ev): -41.9590 -41.9590 -41.4219 -41.4219 -41.3446 -41.3446 -41.3267 -41.3267 -18.1244 -18.1244 -13.9320 -13.9320 -13.8047 -13.8047 -13.4065 -13.4065 -4.1778 -4.1778 -2.2711 -2.2694 -2.2081 -2.2035 -2.1515 -2.1467 0.7070 0.7071 1.3745 1.3747 1.6498 1.6505 2.5549 2.5582 2.6684 2.6706 3.4211 3.4223 3.9372 3.9378 4.2961 4.2963 7.4728 7.4729 10.3698 10.3700 11.5778 11.5782 11.6913 11.6921 k = 0.5000-0.0180-0.0722 ( 9542 PWs) bands (ev): -41.9590 -41.9590 -41.4219 -41.4219 -41.3447 -41.3447 -41.3266 -41.3266 -18.1240 -18.1240 -13.9319 -13.9319 -13.8054 -13.8054 -13.4071 -13.4071 -4.1752 -4.1752 -2.2758 -2.2732 -2.2202 -2.2157 -2.1383 -2.1334 0.7089 0.7089 1.3747 1.3749 1.6489 1.6499 2.5523 2.5570 2.6676 2.6708 3.4232 3.4250 3.9397 3.9407 4.2939 4.2942 7.4691 7.4693 10.3773 10.3777 11.5734 11.5738 11.6976 11.6987 k = 0.5000-0.0088-0.0822 ( 9536 PWs) bands (ev): -41.9590 -41.9590 -41.4220 -41.4220 -41.3447 -41.3447 -41.3265 -41.3265 -18.1233 -18.1233 -13.9317 -13.9317 -13.8064 -13.8064 -13.4081 -13.4081 -4.1716 -4.1716 -2.2830 -2.2795 -2.2306 -2.2262 -2.1255 -2.1207 0.7115 0.7115 1.3749 1.3753 1.6477 1.6490 2.5489 2.5551 2.6668 2.6709 3.4262 3.4285 3.9433 3.9446 4.2909 4.2913 7.4640 7.4643 10.3878 10.3883 11.5682 11.5687 11.7056 11.7068 k = 0.5000 0.0005-0.0922 ( 9538 PWs) bands (ev): -41.9589 -41.9589 -41.4221 -41.4221 -41.3448 -41.3448 -41.3263 -41.3263 -18.1225 -18.1225 -13.9315 -13.9315 -13.8077 -13.8076 -13.4093 -13.4093 -4.1670 -4.1670 -2.2928 -2.2886 -2.2388 -2.2347 -2.1134 -2.1086 0.7148 0.7148 1.3753 1.3758 1.6462 1.6477 2.5449 2.5525 2.6658 2.6708 3.4302 3.4331 3.9479 3.9495 4.2872 4.2877 7.4574 7.4578 10.4011 10.4017 11.5628 11.5633 11.7145 11.7160 k = 0.5000 0.0097-0.1023 ( 9534 PWs) bands (ev): -41.9589 -41.9589 -41.4222 -41.4222 -41.3449 -41.3449 -41.3261 -41.3261 -18.1215 -18.1215 -13.9313 -13.9313 -13.8092 -13.8091 -13.4107 -13.4107 -4.1615 -4.1614 -2.3047 -2.3001 -2.2450 -2.2412 -2.1021 -2.0973 0.7188 0.7189 1.3759 1.3764 1.6445 1.6463 2.5403 2.5491 2.6648 2.6706 3.4352 3.4385 3.9535 3.9553 4.2828 4.2833 7.4494 7.4498 10.4173 10.4180 11.5576 11.5581 11.7241 11.7258 k = 0.5000 0.0189-0.1123 ( 9544 PWs) bands (ev): -41.9588 -41.9588 -41.4223 -41.4223 -41.3450 -41.3450 -41.3260 -41.3260 -18.1204 -18.1203 -13.9310 -13.9310 -13.8109 -13.8109 -13.4125 -13.4124 -4.1551 -4.1550 -2.3181 -2.3133 -2.2498 -2.2464 -2.0918 -2.0870 0.7235 0.7236 1.3765 1.3771 1.6424 1.6445 2.5352 2.5449 2.6638 2.6702 3.4412 3.4450 3.9600 3.9621 4.2777 4.2784 7.4399 7.4404 10.4362 10.4370 11.5530 11.5535 11.7340 11.7358 k = 0.5000 0.0282-0.1223 ( 9542 PWs) bands (ev): -41.9588 -41.9588 -41.4225 -41.4225 -41.3451 -41.3451 -41.3258 -41.3258 -18.1190 -18.1190 -13.9307 -13.9307 -13.8130 -13.8129 -13.4144 -13.4144 -4.1479 -4.1478 -2.3323 -2.3274 -2.2539 -2.2508 -2.0825 -2.0777 0.7290 0.7291 1.3774 1.3780 1.6402 1.6425 2.5296 2.5402 2.6626 2.6696 3.4483 3.4524 3.9674 3.9697 4.2721 4.2728 7.4290 7.4296 10.4576 10.4586 11.5491 11.5496 11.7438 11.7458 k = 0.5000 0.0374-0.1324 ( 9532 PWs) bands (ev): -41.9587 -41.9587 -41.4226 -41.4226 -41.3452 -41.3452 -41.3256 -41.3256 -18.1175 -18.1175 -13.9303 -13.9303 -13.8152 -13.8152 -13.4166 -13.4166 -4.1400 -4.1398 -2.3469 -2.3420 -2.2576 -2.2548 -2.0743 -2.0696 0.7351 0.7352 1.3783 1.3791 1.6377 1.6402 2.5235 2.5349 2.6613 2.6688 3.4563 3.4607 3.9757 3.9781 4.2660 4.2668 7.4166 7.4173 10.4815 10.4826 11.5462 11.5466 11.7535 11.7556 k = 0.5000 0.0466-0.1424 ( 9526 PWs) bands (ev): -41.9587 -41.9587 -41.4227 -41.4227 -41.3453 -41.3453 -41.3254 -41.3254 -18.1158 -18.1158 -13.9300 -13.9300 -13.8177 -13.8176 -13.4191 -13.4190 -4.1314 -4.1312 -2.3614 -2.3566 -2.2611 -2.2586 -2.0673 -2.0626 0.7419 0.7420 1.3795 1.3804 1.6350 1.6377 2.5171 2.5291 2.6599 2.6678 3.4654 3.4701 3.9847 3.9873 4.2596 4.2604 7.4028 7.4035 10.5077 10.5089 11.5443 11.5447 11.7628 11.7650 k = 0.5000 0.0559-0.1525 ( 9518 PWs) bands (ev): -41.9586 -41.9586 -41.4229 -41.4229 -41.3454 -41.3454 -41.3252 -41.3252 -18.1140 -18.1140 -13.9296 -13.9296 -13.8203 -13.8203 -13.4217 -13.4217 -4.1222 -4.1220 -2.3758 -2.3709 -2.2647 -2.2624 -2.0615 -2.0569 0.7494 0.7495 1.3809 1.3818 1.6322 1.6350 2.5105 2.5229 2.6583 2.6664 3.4756 3.4805 3.9945 3.9972 4.2529 4.2538 7.3876 7.3884 10.5360 10.5374 11.5435 11.5439 11.7716 11.7739 k = 0.5000 0.0651-0.1625 ( 9520 PWs) bands (ev): -41.9586 -41.9586 -41.4230 -41.4230 -41.3456 -41.3456 -41.3250 -41.3250 -18.1121 -18.1121 -13.9292 -13.9291 -13.8232 -13.8231 -13.4246 -13.4246 -4.1125 -4.1123 -2.3897 -2.3849 -2.2683 -2.2661 -2.0570 -2.0524 0.7575 0.7577 1.3826 1.3835 1.6291 1.6322 2.5036 2.5163 2.6564 2.6648 3.4868 3.4918 4.0049 4.0077 4.2460 4.2470 7.3711 7.3718 10.5664 10.5679 11.5439 11.5443 11.7798 11.7822 k = 0.5000 0.0743-0.1725 ( 9522 PWs) bands (ev): -41.9585 -41.9585 -41.4231 -41.4231 -41.3457 -41.3457 -41.3248 -41.3248 -18.1099 -18.1099 -13.9288 -13.9287 -13.8262 -13.8262 -13.4277 -13.4276 -4.1024 -4.1022 -2.4030 -2.3983 -2.2721 -2.2700 -2.0538 -2.0493 0.7663 0.7664 1.3845 1.3855 1.6259 1.6291 2.4966 2.5095 2.6543 2.6628 3.4990 3.5042 4.0159 4.0188 4.2391 4.2401 7.3531 7.3539 10.5986 10.6002 11.5455 11.5459 11.7873 11.7898 k = 0.5000 0.0836-0.1826 ( 9528 PWs) bands (ev): -41.9585 -41.9585 -41.4232 -41.4232 -41.3458 -41.3458 -41.3246 -41.3246 -18.1077 -18.1077 -13.9283 -13.9283 -13.8294 -13.8294 -13.4309 -13.4309 -4.0920 -4.0918 -2.4157 -2.4110 -2.2759 -2.2740 -2.0519 -2.0475 0.7757 0.7758 1.3867 1.3878 1.6226 1.6260 2.4896 2.5026 2.6519 2.6605 3.5122 3.5175 4.0275 4.0304 4.2322 4.2332 7.3339 7.3347 10.6325 10.6342 11.5483 11.5486 11.7939 11.7966 k = 0.5000 0.0928-0.1926 ( 9534 PWs) bands (ev): -41.9584 -41.9584 -41.4233 -41.4233 -41.3459 -41.3459 -41.3245 -41.3245 -18.1053 -18.1053 -13.9279 -13.9278 -13.8328 -13.8327 -13.4344 -13.4344 -4.0814 -4.0812 -2.4276 -2.4230 -2.2799 -2.2780 -2.0513 -2.0470 0.7857 0.7858 1.3891 1.3903 1.6193 1.6228 2.4826 2.4956 2.6491 2.6577 3.5265 3.5318 4.0395 4.0425 4.2255 4.2264 7.3134 7.3142 10.6680 10.6698 11.5522 11.5525 11.7997 11.8024 k = 0.5000 0.1020-0.2027 ( 9540 PWs) bands (ev): -41.9583 -41.9583 -41.4233 -41.4233 -41.3460 -41.3460 -41.3244 -41.3244 -18.1028 -18.1028 -13.9275 -13.9274 -13.8362 -13.8362 -13.4380 -13.4380 -4.0708 -4.0706 -2.4385 -2.4340 -2.2840 -2.2822 -2.0521 -2.0478 0.7963 0.7963 1.3919 1.3932 1.6159 1.6195 2.4757 2.4885 2.6460 2.6545 3.5417 3.5471 4.0519 4.0549 4.2190 4.2200 7.2917 7.2925 10.7048 10.7067 11.5573 11.5575 11.8046 11.8074 k = 0.5000 0.1113-0.2127 ( 9550 PWs) bands (ev): -41.9583 -41.9583 -41.4233 -41.4233 -41.3462 -41.3462 -41.3243 -41.3243 -18.1002 -18.1002 -13.9270 -13.9270 -13.8398 -13.8397 -13.4418 -13.4418 -4.0601 -4.0599 -2.4486 -2.4442 -2.2883 -2.2865 -2.0541 -2.0500 0.8074 0.8074 1.3951 1.3964 1.6124 1.6161 2.4689 2.4816 2.6424 2.6509 3.5579 3.5633 4.0646 4.0677 4.2129 4.2138 7.2688 7.2696 10.7427 10.7448 11.5634 11.5636 11.8085 11.8113 k = 0.5000 0.1205-0.2227 ( 9544 PWs) bands (ev): -41.9582 -41.9582 -41.4233 -41.4233 -41.3463 -41.3463 -41.3242 -41.3242 -18.0975 -18.0975 -13.9266 -13.9265 -13.8435 -13.8434 -13.4457 -13.4457 -4.0496 -4.0494 -2.4576 -2.4533 -2.2926 -2.2909 -2.0575 -2.0535 0.8189 0.8190 1.3985 1.4000 1.6090 1.6129 2.4622 2.4747 2.6383 2.6468 3.5750 3.5804 4.0777 4.0807 4.2072 4.2082 7.2449 7.2456 10.7817 10.7838 11.5705 11.5707 11.8114 11.8143 k = 0.5000 0.1297-0.2328 ( 9548 PWs) bands (ev): -41.9582 -41.9582 -41.4232 -41.4232 -41.3464 -41.3464 -41.3242 -41.3242 -18.0947 -18.0947 -13.9262 -13.9261 -13.8472 -13.8471 -13.4498 -13.4498 -4.0394 -4.0392 -2.4656 -2.4613 -2.2971 -2.2954 -2.0622 -2.0583 0.8310 0.8311 1.4023 1.4040 1.6057 1.6097 2.4559 2.4680 2.6339 2.6421 3.5930 3.5984 4.0909 4.0939 4.2020 4.2031 7.2199 7.2207 10.8215 10.8238 11.5785 11.5787 11.8133 11.8163 k = 0.5000 0.1390-0.2428 ( 9548 PWs) bands (ev): -41.9582 -41.9582 -41.4231 -41.4231 -41.3465 -41.3465 -41.3243 -41.3243 -18.0918 -18.0918 -13.9258 -13.9257 -13.8510 -13.8509 -13.4540 -13.4539 -4.0294 -4.0292 -2.4724 -2.4682 -2.3016 -2.2999 -2.0680 -2.0642 0.8435 0.8436 1.4065 1.4083 1.6025 1.6066 2.4497 2.4616 2.6289 2.6370 3.6118 3.6172 4.1042 4.1073 4.1974 4.1988 7.1940 7.1948 10.8620 10.8643 11.5874 11.5876 11.8144 11.8174 k = 0.5000 0.1482-0.2529 ( 9552 PWs) bands (ev): -41.9581 -41.9581 -41.4229 -41.4229 -41.3466 -41.3466 -41.3244 -41.3244 -18.0888 -18.0888 -13.9254 -13.9254 -13.8548 -13.8547 -13.4583 -13.4582 -4.0199 -4.0197 -2.4781 -2.4741 -2.3062 -2.3045 -2.0750 -2.0713 0.8563 0.8566 1.4110 1.4130 1.5995 1.6038 2.4439 2.4554 2.6234 2.6313 3.6313 3.6367 4.1174 4.1208 4.1935 4.1954 7.1672 7.1680 10.9029 10.9052 11.5969 11.5971 11.8147 11.8177 k = 0.5000 0.1574-0.2629 ( 9550 PWs) bands (ev): -41.9581 -41.9581 -41.4227 -41.4227 -41.3467 -41.3467 -41.3245 -41.3245 -18.0857 -18.0857 -13.9251 -13.9250 -13.8587 -13.8586 -13.4626 -13.4626 -4.0108 -4.0106 -2.4827 -2.4788 -2.3108 -2.3092 -2.0831 -2.0795 0.8696 0.8699 1.4159 1.4181 1.5967 1.6012 2.4384 2.4494 2.6175 2.6251 3.6515 3.6568 4.1305 4.1343 4.1903 4.1931 7.1397 7.1404 10.9439 10.9464 11.6070 11.6072 11.8144 11.8174 k = 0.5000 0.1667-0.2729 ( 9546 PWs) bands (ev): -41.9581 -41.9581 -41.4224 -41.4224 -41.3468 -41.3468 -41.3247 -41.3247 -18.0826 -18.0826 -13.9248 -13.9247 -13.8625 -13.8624 -13.4671 -13.4671 -4.0024 -4.0022 -2.4862 -2.4823 -2.3155 -2.3139 -2.0921 -2.0887 0.8831 0.8836 1.4211 1.4236 1.5942 1.5990 2.4332 2.4438 2.6110 2.6184 3.6724 3.6776 4.1429 4.1479 4.1879 4.1923 7.1115 7.1122 10.9849 10.9874 11.6174 11.6177 11.8137 11.8167 k = 0.5000 0.1759-0.2830 ( 9548 PWs) bands (ev): -41.9581 -41.9581 -41.4220 -41.4220 -41.3468 -41.3468 -41.3250 -41.3250 -18.0795 -18.0795 -13.9245 -13.9244 -13.8663 -13.8662 -13.4716 -13.4716 -3.9945 -3.9943 -2.4886 -2.4848 -2.3202 -2.3186 -2.1021 -2.0989 0.8970 0.8976 1.4267 1.4294 1.5921 1.5972 2.4283 2.4384 2.6041 2.6112 3.6937 3.6989 4.1542 4.1614 4.1865 4.1934 7.0827 7.0834 11.0256 11.0281 11.6279 11.6282 11.8130 11.8161 k = 0.5000 0.1851-0.2930 ( 9548 PWs) bands (ev): -41.9581 -41.9581 -41.4216 -41.4216 -41.3469 -41.3469 -41.3253 -41.3253 -18.0763 -18.0763 -13.9243 -13.9242 -13.8701 -13.8700 -13.4762 -13.4761 -3.9873 -3.9871 -2.4898 -2.4862 -2.3249 -2.3234 -2.1130 -2.1099 0.9110 0.9118 1.4325 1.4356 1.5904 1.5958 2.4237 2.4333 2.5966 2.6035 3.7154 3.7206 4.1635 4.1745 4.1864 4.1973 7.0534 7.0540 11.0656 11.0682 11.6381 11.6384 11.8130 11.8160 k = 0.5000 0.1944-0.3031 ( 9542 PWs) bands (ev): -41.9581 -41.9581 -41.4212 -41.4212 -41.3470 -41.3470 -41.3257 -41.3257 -18.0731 -18.0731 -13.9241 -13.9240 -13.8739 -13.8738 -13.4808 -13.4807 -3.9809 -3.9807 -2.4901 -2.4865 -2.3296 -2.3281 -2.1246 -2.1216 0.9252 0.9262 1.4387 1.4421 1.5893 1.5950 2.4194 2.4286 2.5887 2.5953 3.7375 3.7426 4.1705 4.1836 4.1911 4.2043 7.0236 7.0242 11.1046 11.1072 11.6474 11.6477 11.8143 11.8173 k = 0.5000 0.2036-0.3131 ( 9556 PWs) bands (ev): -41.9581 -41.9581 -41.4206 -41.4206 -41.3471 -41.3471 -41.3261 -41.3261 -18.0698 -18.0698 -13.9239 -13.9238 -13.8776 -13.8775 -13.4854 -13.4854 -3.9751 -3.9750 -2.4894 -2.4859 -2.3343 -2.3327 -2.1368 -2.1340 0.9396 0.9407 1.4452 1.4490 1.5886 1.5947 2.4154 2.4241 2.5804 2.5867 3.7597 3.7648 4.1757 4.1862 4.2033 4.2140 6.9935 6.9942 11.1423 11.1449 11.6551 11.6554 11.8181 11.8210 k = 0.5000 0.2128-0.3231 ( 9554 PWs) bands (ev): -41.9581 -41.9581 -41.4200 -41.4200 -41.3471 -41.3471 -41.3266 -41.3266 -18.0666 -18.0666 -13.9238 -13.9237 -13.8812 -13.8811 -13.4900 -13.4900 -3.9701 -3.9700 -2.4878 -2.4845 -2.3389 -2.3374 -2.1496 -2.1469 0.9540 0.9553 1.4520 1.4562 1.5885 1.5951 2.4117 2.4199 2.5716 2.5776 3.7821 3.7872 4.1803 4.1888 4.2163 4.2251 6.9632 6.9638 11.1783 11.1809 11.6604 11.6606 11.8253 11.8280 k = 0.5000 0.2221-0.3332 ( 9560 PWs) bands (ev): -41.9581 -41.9581 -41.4194 -41.4194 -41.3472 -41.3472 -41.3271 -41.3271 -18.0634 -18.0634 -13.9237 -13.9236 -13.8847 -13.8846 -13.4947 -13.4946 -3.9659 -3.9658 -2.4854 -2.4822 -2.3434 -2.3419 -2.1629 -2.1603 0.9685 0.9700 1.4591 1.4637 1.5891 1.5961 2.4082 2.4159 2.5624 2.5680 3.8044 3.8095 4.1850 4.1922 4.2293 4.2369 6.9328 6.9334 11.2122 11.2147 11.6626 11.6627 11.8369 11.8393 k = 0.5000 0.2313-0.3432 ( 9554 PWs) bands (ev): -41.9582 -41.9582 -41.4187 -41.4187 -41.3473 -41.3473 -41.3277 -41.3277 -18.0601 -18.0601 -13.9237 -13.9236 -13.8881 -13.8880 -13.4993 -13.4992 -3.9624 -3.9623 -2.4823 -2.4792 -2.3479 -2.3464 -2.1765 -2.1740 0.9829 0.9847 1.4665 1.4716 1.5902 1.5977 2.4050 2.4121 2.5528 2.5581 3.8267 3.8317 4.1904 4.1967 4.2421 4.2488 6.9023 6.9029 11.2437 11.2461 11.6615 11.6617 11.8532 11.8554 k = 0.5000 0.2405-0.3533 ( 9552 PWs) bands (ev): -41.9582 -41.9582 -41.4179 -41.4179 -41.3473 -41.3473 -41.3284 -41.3284 -18.0570 -18.0569 -13.9237 -13.9236 -13.8914 -13.8913 -13.5038 -13.5038 -3.9596 -3.9595 -2.4786 -2.4756 -2.3522 -2.3507 -2.1903 -2.1880 0.9973 0.9994 1.4743 1.4798 1.5920 1.5999 2.4019 2.4086 2.5429 2.5479 3.8487 3.8537 4.1965 4.2022 4.2546 4.2607 6.8718 6.8724 11.2724 11.2748 11.6573 11.6577 11.8743 11.8762 k = 0.5000 0.2498-0.3633 ( 9562 PWs) bands (ev): -41.9583 -41.9583 -41.4170 -41.4170 -41.3474 -41.3474 -41.3291 -41.3291 -18.0538 -18.0538 -13.9237 -13.9236 -13.8946 -13.8945 -13.5083 -13.5083 -3.9574 -3.9573 -2.4744 -2.4715 -2.3564 -2.3550 -2.2043 -2.2021 1.0116 1.0139 1.4824 1.4883 1.5943 1.6026 2.3990 2.4052 2.5327 2.5373 3.8704 3.8753 4.2035 4.2087 4.2668 4.2725 6.8415 6.8421 11.2982 11.3005 11.6506 11.6511 11.8997 11.9013 k = 0.5000 0.2590-0.3733 ( 9554 PWs) bands (ev): -41.9583 -41.9583 -41.4161 -41.4161 -41.3474 -41.3474 -41.3299 -41.3299 -18.0507 -18.0507 -13.9238 -13.9237 -13.8976 -13.8975 -13.5128 -13.5127 -3.9559 -3.9558 -2.4697 -2.4670 -2.3605 -2.3591 -2.2183 -2.2162 1.0258 1.0284 1.4909 1.4972 1.5972 1.6059 2.3963 2.4020 2.5222 2.5265 3.8916 3.8965 4.2115 4.2162 4.2787 4.2839 6.8114 6.8120 11.3209 11.3231 11.6419 11.6426 11.9289 11.9303 k = 0.5000 0.2682-0.3834 ( 9554 PWs) bands (ev): -41.9584 -41.9584 -41.4152 -41.4152 -41.3474 -41.3474 -41.3307 -41.3307 -18.0477 -18.0476 -13.9239 -13.9238 -13.9006 -13.9005 -13.5171 -13.5171 -3.9550 -3.9549 -2.4648 -2.4622 -2.3645 -2.3631 -2.2323 -2.2303 1.0398 1.0427 1.4997 1.5064 1.6006 1.6097 2.3936 2.3989 2.5115 2.5155 3.9123 3.9172 4.2203 4.2247 4.2901 4.2951 6.7816 6.7822 11.3405 11.3425 11.6317 11.6326 11.9613 11.9627 k = 0.5000 0.2775-0.3934 ( 9546 PWs) bands (ev): -41.9585 -41.9585 -41.4142 -41.4142 -41.3475 -41.3475 -41.3316 -41.3316 -18.0447 -18.0447 -13.9241 -13.9240 -13.9033 -13.9032 -13.5214 -13.5213 -3.9546 -3.9545 -2.4597 -2.4572 -2.3682 -2.3669 -2.2462 -2.2443 1.0536 1.0568 1.5089 1.5159 1.6043 1.6138 2.3911 2.3959 2.5006 2.5043 3.9323 3.9372 4.2300 4.2341 4.3011 4.3058 6.7522 6.7528 11.3570 11.3589 11.6204 11.6214 11.9964 11.9977 k = 0.5000 0.2867-0.4034 ( 9552 PWs) bands (ev): -41.9586 -41.9586 -41.4131 -41.4131 -41.3475 -41.3475 -41.3325 -41.3325 -18.0418 -18.0418 -13.9242 -13.9242 -13.9060 -13.9059 -13.5255 -13.5255 -3.9547 -3.9546 -2.4545 -2.4521 -2.3719 -2.3705 -2.2598 -2.2581 1.0672 1.0707 1.5185 1.5257 1.6085 1.6182 2.3885 2.3929 2.4897 2.4931 3.9517 3.9565 4.2405 4.2443 4.3117 4.3161 6.7234 6.7240 11.3706 11.3724 11.6083 11.6093 12.0334 12.0347 k = 0.5000 0.2960-0.4135 ( 9558 PWs) bands (ev): -41.9586 -41.9586 -41.4120 -41.4120 -41.3476 -41.3476 -41.3335 -41.3335 -18.0390 -18.0390 -13.9245 -13.9244 -13.9084 -13.9083 -13.5296 -13.5295 -3.9552 -3.9551 -2.4493 -2.4470 -2.3753 -2.3740 -2.2731 -2.2715 1.0806 1.0843 1.5284 1.5358 1.6129 1.6228 2.3861 2.3900 2.4786 2.4817 3.9704 3.9751 4.2517 4.2552 4.3218 4.3260 6.6951 6.6957 11.3813 11.3830 11.5955 11.5965 12.0717 12.0730 k = 0.5000 0.3052-0.4235 ( 9562 PWs) bands (ev): -41.9587 -41.9587 -41.4109 -41.4109 -41.3476 -41.3476 -41.3345 -41.3345 -18.0363 -18.0363 -13.9247 -13.9246 -13.9108 -13.9107 -13.5335 -13.5334 -3.9560 -3.9560 -2.4441 -2.4420 -2.3785 -2.3773 -2.2861 -2.2846 1.0938 1.0977 1.5386 1.5461 1.6174 1.6275 2.3836 2.3872 2.4676 2.4705 3.9882 3.9929 4.2634 4.2667 4.3315 4.3354 6.6675 6.6682 11.3895 11.3911 11.5821 11.5832 12.1084 12.1098 k = 0.5000 0.3144-0.4336 ( 9554 PWs) bands (ev): -41.9588 -41.9588 -41.4097 -41.4097 -41.3476 -41.3476 -41.3356 -41.3356 -18.0337 -18.0337 -13.9250 -13.9249 -13.9129 -13.9128 -13.5372 -13.5372 -3.9571 -3.9571 -2.4391 -2.4371 -2.3816 -2.3804 -2.2986 -2.2972 1.1066 1.1108 1.5490 1.5566 1.6221 1.6322 2.3812 2.3844 2.4567 2.4593 4.0053 4.0098 4.2756 4.2786 4.3406 4.3443 6.6408 6.6414 11.3954 11.3969 11.5683 11.5693 12.1033 12.1042 k = 0.5000 0.3237-0.4436 ( 9546 PWs) bands (ev): -41.9589 -41.9589 -41.4085 -41.4085 -41.3476 -41.3476 -41.3366 -41.3366 -18.0312 -18.0312 -13.9252 -13.9252 -13.9149 -13.9149 -13.5408 -13.5408 -3.9585 -3.9585 -2.4343 -2.4324 -2.3844 -2.3832 -2.3106 -2.3093 1.1192 1.1236 1.5596 1.5672 1.6268 1.6368 2.3788 2.3816 2.4459 2.4483 4.0215 4.0259 4.2880 4.2909 4.3492 4.3526 6.6150 6.6156 11.3992 11.4006 11.5539 11.5550 12.0630 12.0635 k = 0.5000 0.3329-0.4536 ( 9540 PWs) bands (ev): -41.9590 -41.9590 -41.4073 -41.4073 -41.3477 -41.3477 -41.3377 -41.3377 -18.0288 -18.0288 -13.9255 -13.9255 -13.9168 -13.9167 -13.5442 -13.5442 -3.9601 -3.9601 -2.4297 -2.4280 -2.3870 -2.3859 -2.3220 -2.3208 1.1315 1.1359 1.5702 1.5777 1.6315 1.6413 2.3764 2.3788 2.4354 2.4375 4.0368 4.0410 4.3006 4.3032 4.3573 4.3605 6.5902 6.5908 11.4012 11.4025 11.5391 11.5401 12.0233 12.0237 k = 0.5000 0.3421-0.4637 ( 9536 PWs) bands (ev): -41.9591 -41.9591 -41.4061 -41.4061 -41.3477 -41.3477 -41.3388 -41.3388 -18.0266 -18.0266 -13.9258 -13.9258 -13.9185 -13.9184 -13.5474 -13.5474 -3.9618 -3.9617 -2.4255 -2.4239 -2.3894 -2.3884 -2.3328 -2.3317 1.1433 1.1479 1.5808 1.5881 1.6360 1.6455 2.3740 2.3761 2.4252 2.4271 4.0513 4.0553 4.3131 4.3155 4.3648 4.3678 6.5665 6.5671 11.4016 11.4029 11.5237 11.5247 11.9866 11.9869 k = 0.5000 0.3514-0.4737 ( 9538 PWs) bands (ev): -41.9591 -41.9591 -41.4049 -41.4049 -41.3477 -41.3477 -41.3399 -41.3399 -18.0245 -18.0245 -13.9261 -13.9260 -13.9200 -13.9200 -13.5505 -13.5504 -3.9635 -3.9635 -2.4215 -2.4201 -2.3916 -2.3906 -2.3429 -2.3419 1.1548 1.1593 1.5912 1.5983 1.6404 1.6495 2.3716 2.3734 2.4153 2.4171 4.0649 4.0687 4.3253 4.3275 4.3719 4.3745 6.5441 6.5447 11.4009 11.4020 11.5079 11.5089 11.9532 11.9535 k = 0.5000 0.3606-0.4838 ( 9536 PWs) bands (ev): -41.9592 -41.9592 -41.4037 -41.4037 -41.3477 -41.3477 -41.3409 -41.3409 -18.0226 -18.0226 -13.9264 -13.9263 -13.9214 -13.9214 -13.5533 -13.5533 -3.9653 -3.9653 -2.4180 -2.4167 -2.3935 -2.3927 -2.3523 -2.3514 1.1658 1.1703 1.6013 1.6080 1.6447 1.6532 2.3692 2.3708 2.4060 2.4076 4.0775 4.0811 4.3371 4.3391 4.3784 4.3808 6.5231 6.5237 11.3992 11.4002 11.4917 11.4926 11.9235 11.9237 k = 0.5000 0.3698-0.4938 ( 9546 PWs) bands (ev): -41.9593 -41.9593 -41.4026 -41.4026 -41.3477 -41.3477 -41.3420 -41.3420 -18.0208 -18.0208 -13.9267 -13.9266 -13.9227 -13.9226 -13.5559 -13.5559 -3.9671 -3.9671 -2.4148 -2.4136 -2.3952 -2.3945 -2.3610 -2.3601 1.1762 1.1805 1.6109 1.6172 1.6488 1.6566 2.3669 2.3683 2.3971 2.3987 4.0892 4.0926 4.3483 4.3501 4.3844 4.3865 6.5035 6.5041 11.3969 11.3978 11.4754 11.4762 11.8975 11.8976 k = 0.5000 0.3791-0.5038 ( 9540 PWs) bands (ev): -41.9594 -41.9594 -41.4015 -41.4015 -41.3478 -41.3478 -41.3430 -41.3430 -18.0192 -18.0192 -13.9269 -13.9269 -13.9238 -13.9238 -13.5582 -13.5582 -3.9688 -3.9688 -2.4119 -2.4110 -2.3968 -2.3962 -2.3688 -2.3680 1.1859 1.1901 1.6199 1.6257 1.6527 1.6596 2.3647 2.3658 2.3890 2.3905 4.0999 4.1030 4.3587 4.3603 4.3899 4.3917 6.4856 6.4861 11.3941 11.3949 11.4591 11.4598 11.8751 11.8752 k = 0.5770 0.4493 0.3357 ( 9540 PWs) bands (ev): -41.9594 -41.9594 -41.4015 -41.4015 -41.3478 -41.3478 -41.3430 -41.3430 -18.0192 -18.0192 -13.9269 -13.9269 -13.9238 -13.9238 -13.5582 -13.5582 -3.9688 -3.9688 -2.4119 -2.4110 -2.3968 -2.3962 -2.3688 -2.3680 1.1859 1.1901 1.6199 1.6257 1.6527 1.6596 2.3647 2.3658 2.3890 2.3905 4.0999 4.1030 4.3587 4.3603 4.3899 4.3917 6.4856 6.4861 11.3941 11.3949 11.4591 11.4598 11.8751 11.8752 k = 0.5684 0.4501 0.3450 ( 9528 PWs) bands (ev): -41.9594 -41.9594 -41.4005 -41.4005 -41.3478 -41.3478 -41.3439 -41.3439 -18.0179 -18.0179 -13.9272 -13.9271 -13.9247 -13.9247 -13.5602 -13.5602 -3.9703 -3.9703 -2.4097 -2.4089 -2.3980 -2.3975 -2.3753 -2.3746 1.1944 1.1983 1.6276 1.6329 1.6563 1.6622 2.3628 2.3637 2.3820 2.3834 4.1090 4.1118 4.3675 4.3690 4.3946 4.3961 6.4704 6.4708 11.3913 11.3920 11.4444 11.4450 11.8574 11.8574 k = 0.5599 0.4509 0.3544 ( 9526 PWs) bands (ev): -41.9595 -41.9595 -41.3996 -41.3996 -41.3478 -41.3478 -41.3447 -41.3447 -18.0167 -18.0167 -13.9274 -13.9273 -13.9255 -13.9255 -13.5620 -13.5620 -3.9717 -3.9717 -2.4077 -2.4072 -2.3990 -2.3986 -2.3810 -2.3803 1.2021 1.2058 1.6346 1.6392 1.6597 1.6644 2.3609 2.3617 2.3758 2.3771 4.1171 4.1196 4.3753 4.3768 4.3990 4.4001 6.4567 6.4572 11.3885 11.3891 11.4303 11.4309 11.8424 11.8424 k = 0.5513 0.4517 0.3637 ( 9524 PWs) bands (ev): -41.9595 -41.9595 -41.3988 -41.3988 -41.3478 -41.3478 -41.3455 -41.3455 -18.0156 -18.0156 -13.9276 -13.9275 -13.9262 -13.9262 -13.5635 -13.5635 -3.9729 -3.9729 -2.4062 -2.4058 -2.4000 -2.3996 -2.3859 -2.3853 1.2091 1.2124 1.6406 1.6446 1.6630 1.6665 2.3593 2.3599 2.3703 2.3715 4.1243 4.1265 4.3821 4.3834 4.4030 4.4038 6.4447 6.4451 11.3858 11.3864 11.4174 11.4179 11.8300 11.8300 k = 0.5428 0.4525 0.3731 ( 9522 PWs) bands (ev): -41.9596 -41.9596 -41.3980 -41.3980 -41.3478 -41.3478 -41.3462 -41.3462 -18.0147 -18.0147 -13.9278 -13.9277 -13.9268 -13.9267 -13.5649 -13.5648 -3.9740 -3.9740 -2.4050 -2.4048 -2.4008 -2.4004 -2.3899 -2.3894 1.2152 1.2180 1.6455 1.6490 1.6661 1.6684 2.3577 2.3582 2.3656 2.3667 4.1305 4.1323 4.3878 4.3890 4.4066 4.4071 6.4345 6.4348 11.3834 11.3838 11.4058 11.4062 11.8199 11.8199 k = 0.5342 0.4533 0.3824 ( 9526 PWs) bands (ev): -41.9596 -41.9596 -41.3974 -41.3974 -41.3478 -41.3478 -41.3467 -41.3467 -18.0140 -18.0140 -13.9279 -13.9279 -13.9272 -13.9272 -13.5659 -13.5659 -3.9749 -3.9749 -2.4044 -2.4041 -2.4015 -2.4010 -2.3929 -2.3925 1.2204 1.2227 1.6495 1.6524 1.6689 1.6702 2.3564 2.3568 2.3618 2.3627 4.1357 4.1371 4.3923 4.3933 4.4098 4.4101 6.4260 6.4262 11.3813 11.3816 11.3959 11.3962 11.8119 11.8120 k = 0.5257 0.4540 0.3917 ( 9522 PWs) bands (ev): -41.9596 -41.9596 -41.3969 -41.3969 -41.3478 -41.3478 -41.3472 -41.3472 -18.0134 -18.0134 -13.9281 -13.9280 -13.9275 -13.9275 -13.5668 -13.5668 -3.9757 -3.9757 -2.4041 -2.4037 -2.4022 -2.4018 -2.3949 -2.3946 1.2246 1.2264 1.6525 1.6548 1.6713 1.6719 2.3552 2.3555 2.3589 2.3596 4.1397 4.1409 4.3957 4.3965 4.4125 4.4126 6.4193 6.4195 11.3796 11.3798 11.3879 11.3882 11.8060 11.8060 k = 0.5171 0.4548 0.4011 ( 9518 PWs) bands (ev): -41.9597 -41.9597 -41.3966 -41.3966 -41.3478 -41.3478 -41.3475 -41.3475 -18.0130 -18.0130 -13.9282 -13.9282 -13.9277 -13.9277 -13.5674 -13.5674 -3.9762 -3.9762 -2.4040 -2.4037 -2.4028 -2.4025 -2.3959 -2.3958 1.2277 1.2289 1.6546 1.6563 1.6731 1.6732 2.3543 2.3544 2.3571 2.3575 4.1427 4.1435 4.3980 4.3986 4.4145 4.4146 6.4145 6.4147 11.3783 11.3785 11.3821 11.3823 11.8018 11.8018 k = 0.5086 0.4556 0.4104 ( 9516 PWs) bands (ev): -41.9597 -41.9597 -41.3963 -41.3963 -41.3478 -41.3478 -41.3477 -41.3477 -18.0128 -18.0128 -13.9283 -13.9283 -13.9278 -13.9278 -13.5678 -13.5678 -3.9765 -3.9765 -2.4041 -2.4040 -2.4031 -2.4031 -2.3964 -2.3963 1.2297 1.2303 1.6561 1.6569 1.6741 1.6742 2.3535 2.3536 2.3561 2.3563 4.1446 4.1450 4.3995 4.3998 4.4158 4.4158 6.4116 6.4117 11.3775 11.3776 11.3786 11.3787 11.7993 11.7994 k = 0.5000 0.4564 0.4198 ( 9502 PWs) bands (ev): -41.9597 -41.9597 -41.3963 -41.3963 -41.3478 -41.3478 -41.3478 -41.3478 -18.0127 -18.0127 -13.9283 -13.9283 -13.9279 -13.9279 -13.5679 -13.5679 -3.9766 -3.9766 -2.4041 -2.4041 -2.4032 -2.4032 -2.3965 -2.3965 1.2306 1.2306 1.6568 1.6568 1.6745 1.6745 2.3533 2.3533 2.3559 2.3559 4.1454 4.1454 4.4001 4.4001 4.4162 4.4162 6.4107 6.4107 11.3771 11.3771 11.3776 11.3776 11.7985 11.7985 k = 0.5000 0.4564 0.4198 ( 9502 PWs) bands (ev): -41.9597 -41.9597 -41.3963 -41.3963 -41.3478 -41.3478 -41.3478 -41.3478 -18.0127 -18.0127 -13.9283 -13.9283 -13.9279 -13.9279 -13.5679 -13.5679 -3.9766 -3.9766 -2.4041 -2.4041 -2.4032 -2.4032 -2.3965 -2.3965 1.2306 1.2306 1.6568 1.6568 1.6745 1.6745 2.3533 2.3533 2.3559 2.3559 4.1454 4.1454 4.4001 4.4001 4.4162 4.4162 6.4107 6.4107 11.3771 11.3771 11.3776 11.3776 11.7985 11.7985 k = 0.4914 0.4485 0.4125 ( 9505 PWs) bands (ev): -41.9597 -41.9597 -41.3963 -41.3963 -41.3478 -41.3478 -41.3478 -41.3478 -18.0128 -18.0128 -13.9282 -13.9282 -13.9278 -13.9278 -13.5677 -13.5677 -3.9771 -3.9771 -2.4041 -2.4041 -2.4030 -2.4030 -2.3963 -2.3963 1.2316 1.2316 1.6558 1.6558 1.6733 1.6734 2.3535 2.3536 2.3562 2.3562 4.1450 4.1450 4.4000 4.4000 4.4160 4.4163 6.4119 6.4119 11.3776 11.3776 11.3781 11.3782 11.7996 11.7996 k = 0.4828 0.4406 0.4053 ( 9505 PWs) bands (ev): -41.9597 -41.9597 -41.3963 -41.3963 -41.3478 -41.3478 -41.3478 -41.3478 -18.0132 -18.0132 -13.9280 -13.9280 -13.9275 -13.9275 -13.5671 -13.5671 -3.9784 -3.9784 -2.4040 -2.4040 -2.4022 -2.4022 -2.3956 -2.3956 1.2344 1.2344 1.6526 1.6526 1.6700 1.6702 2.3544 2.3545 2.3569 2.3569 4.1440 4.1440 4.3998 4.3998 4.4157 4.4163 6.4155 6.4155 11.3790 11.3790 11.3795 11.3798 11.8026 11.8026 k = 0.4741 0.4328 0.3981 ( 9514 PWs) bands (ev): -41.9597 -41.9597 -41.3963 -41.3963 -41.3478 -41.3478 -41.3478 -41.3478 -18.0139 -18.0139 -13.9276 -13.9276 -13.9271 -13.9271 -13.5661 -13.5661 -3.9806 -3.9806 -2.4039 -2.4039 -2.4010 -2.4010 -2.3945 -2.3945 1.2392 1.2392 1.6474 1.6474 1.6645 1.6648 2.3559 2.3560 2.3581 2.3581 4.1423 4.1423 4.3996 4.3996 4.4152 4.4161 6.4214 6.4214 11.3814 11.3814 11.3819 11.3823 11.8076 11.8076 k = 0.4655 0.4249 0.3908 ( 9538 PWs) bands (ev): -41.9597 -41.9597 -41.3963 -41.3963 -41.3478 -41.3478 -41.3478 -41.3478 -18.0149 -18.0149 -13.9270 -13.9270 -13.9266 -13.9266 -13.5648 -13.5648 -3.9836 -3.9836 -2.4037 -2.4037 -2.3993 -2.3992 -2.3929 -2.3929 1.2459 1.2459 1.6402 1.6402 1.6569 1.6572 2.3579 2.3581 2.3597 2.3597 4.1400 4.1400 4.3991 4.3991 4.4146 4.4158 6.4296 6.4296 11.3847 11.3847 11.3851 11.3857 11.8144 11.8144 k = 0.4569 0.4170 0.3836 ( 9538 PWs) bands (ev): -41.9597 -41.9597 -41.3963 -41.3963 -41.3478 -41.3478 -41.3478 -41.3478 -18.0161 -18.0161 -13.9263 -13.9263 -13.9259 -13.9259 -13.5631 -13.5631 -3.9876 -3.9876 -2.4036 -2.4036 -2.3971 -2.3970 -2.3908 -2.3908 1.2545 1.2545 1.6310 1.6310 1.6472 1.6477 2.3604 2.3606 2.3618 2.3618 4.1369 4.1369 4.3985 4.3985 4.4139 4.4154 6.4401 6.4401 11.3888 11.3888 11.3892 11.3899 11.8229 11.8229 k = 0.4483 0.4092 0.3763 ( 9544 PWs) bands (ev): -41.9598 -41.9598 -41.3964 -41.3964 -41.3477 -41.3477 -41.3477 -41.3477 -18.0176 -18.0176 -13.9254 -13.9254 -13.9250 -13.9250 -13.5610 -13.5610 -3.9923 -3.9923 -2.4034 -2.4034 -2.3943 -2.3943 -2.3882 -2.3882 1.2650 1.2650 1.6200 1.6200 1.6356 1.6361 2.3634 2.3637 2.3643 2.3643 4.1333 4.1333 4.3977 4.3977 4.4129 4.4147 6.4528 6.4528 11.3935 11.3935 11.3939 11.3947 11.8329 11.8329 k = 0.4397 0.4013 0.3691 ( 9553 PWs) bands (ev): -41.9598 -41.9598 -41.3964 -41.3964 -41.3477 -41.3477 -41.3477 -41.3477 -18.0194 -18.0194 -13.9244 -13.9244 -13.9240 -13.9240 -13.5585 -13.5585 -3.9979 -3.9979 -2.4033 -2.4033 -2.3912 -2.3911 -2.3851 -2.3851 1.2773 1.2773 1.6071 1.6071 1.6221 1.6227 2.3669 2.3672 2.3672 2.3672 4.1290 4.1290 4.3967 4.3967 4.4118 4.4138 6.4677 6.4677 11.3988 11.3988 11.3992 11.4001 11.8440 11.8440 k = 0.4310 0.3934 0.3619 ( 9553 PWs) bands (ev): -41.9598 -41.9598 -41.3965 -41.3965 -41.3477 -41.3477 -41.3477 -41.3477 -18.0214 -18.0214 -13.9232 -13.9232 -13.9228 -13.9228 -13.5557 -13.5557 -4.0043 -4.0043 -2.4030 -2.4030 -2.3875 -2.3874 -2.3815 -2.3815 1.2913 1.2913 1.5925 1.5925 1.6068 1.6075 2.3704 2.3704 2.3707 2.3711 4.1240 4.1240 4.3954 4.3954 4.4103 4.4126 6.4846 6.4846 11.4044 11.4044 11.4049 11.4059 11.8559 11.8559 k = 0.4224 0.3856 0.3546 ( 9553 PWs) bands (ev): -41.9598 -41.9598 -41.3965 -41.3965 -41.3476 -41.3476 -41.3476 -41.3476 -18.0236 -18.0236 -13.9219 -13.9219 -13.9215 -13.9215 -13.5526 -13.5526 -4.0115 -4.0115 -2.4026 -2.4026 -2.3833 -2.3832 -2.3774 -2.3774 1.3072 1.3072 1.5763 1.5763 1.5899 1.5907 2.3740 2.3740 2.3749 2.3754 4.1185 4.1185 4.3938 4.3938 4.4086 4.4111 6.5035 6.5035 11.4102 11.4102 11.4107 11.4118 11.8682 11.8682 k = 0.4138 0.3777 0.3474 ( 9544 PWs) bands (ev): -41.9599 -41.9599 -41.3966 -41.3966 -41.3476 -41.3476 -41.3476 -41.3476 -18.0261 -18.0261 -13.9205 -13.9205 -13.9200 -13.9200 -13.5492 -13.5492 -4.0194 -4.0194 -2.4022 -2.4022 -2.3787 -2.3786 -2.3729 -2.3729 1.3248 1.3248 1.5586 1.5586 1.5715 1.5723 2.3778 2.3778 2.3795 2.3800 4.1123 4.1123 4.3918 4.3918 4.4064 4.4092 6.5242 6.5242 11.4160 11.4160 11.4166 11.4178 11.8802 11.8802 k = 0.4052 0.3698 0.3402 ( 9544 PWs) bands (ev): -41.9599 -41.9599 -41.3966 -41.3966 -41.3475 -41.3475 -41.3475 -41.3475 -18.0287 -18.0287 -13.9189 -13.9189 -13.9184 -13.9184 -13.5455 -13.5455 -4.0280 -4.0280 -2.4015 -2.4015 -2.3737 -2.3735 -2.3678 -2.3678 1.3440 1.3440 1.5396 1.5396 1.5517 1.5525 2.3820 2.3820 2.3844 2.3850 4.1056 4.1056 4.3894 4.3894 4.4039 4.4069 6.5467 6.5467 11.4217 11.4217 11.4223 11.4236 11.8912 11.8912 k = 0.3966 0.3620 0.3329 ( 9550 PWs) bands (ev): -41.9600 -41.9600 -41.3967 -41.3967 -41.3475 -41.3475 -41.3475 -41.3475 -18.0316 -18.0316 -13.9171 -13.9171 -13.9167 -13.9167 -13.5415 -13.5415 -4.0373 -4.0373 -2.4007 -2.4007 -2.3681 -2.3680 -2.3623 -2.3623 1.3649 1.3649 1.5193 1.5193 1.5305 1.5314 2.3864 2.3864 2.3895 2.3901 4.0984 4.0984 4.3865 4.3865 4.4009 4.4041 6.5708 6.5708 11.4269 11.4269 11.4276 11.4289 11.9003 11.9003 k = 0.3879 0.3541 0.3257 ( 9559 PWs) bands (ev): -41.9600 -41.9600 -41.3968 -41.3968 -41.3475 -41.3475 -41.3475 -41.3475 -18.0347 -18.0347 -13.9153 -13.9153 -13.9149 -13.9148 -13.5372 -13.5372 -4.0473 -4.0473 -2.3996 -2.3996 -2.3622 -2.3620 -2.3564 -2.3564 1.3872 1.3872 1.4978 1.4978 1.5082 1.5091 2.3910 2.3910 2.3949 2.3956 4.0906 4.0906 4.3831 4.3831 4.3975 4.4008 6.5964 6.5964 11.4316 11.4316 11.4324 11.4337 11.9065 11.9065 k = 0.3793 0.3462 0.3184 ( 9559 PWs) bands (ev): -41.9601 -41.9601 -41.3969 -41.3969 -41.3474 -41.3474 -41.3474 -41.3474 -18.0380 -18.0380 -13.9133 -13.9133 -13.9129 -13.9129 -13.5327 -13.5327 -4.0579 -4.0579 -2.3983 -2.3983 -2.3558 -2.3556 -2.3500 -2.3500 1.4108 1.4108 1.4757 1.4757 1.4848 1.4858 2.3959 2.3959 2.4005 2.4012 4.0824 4.0824 4.3792 4.3792 4.3934 4.3969 6.6234 6.6234 11.4355 11.4355 11.4364 11.4377 11.9086 11.9086 k = 0.3707 0.3384 0.3112 ( 9559 PWs) bands (ev): -41.9601 -41.9601 -41.3969 -41.3969 -41.3473 -41.3473 -41.3473 -41.3473 -18.0415 -18.0415 -13.9112 -13.9112 -13.9108 -13.9108 -13.5280 -13.5280 -4.0691 -4.0691 -2.3966 -2.3966 -2.3490 -2.3488 -2.3432 -2.3432 1.4329 1.4329 1.4554 1.4554 1.4605 1.4614 2.4011 2.4011 2.4063 2.4071 4.0736 4.0736 4.3746 4.3746 4.3887 4.3924 6.6515 6.6515 11.4384 11.4384 11.4394 11.4408 11.9052 11.9052 k = 0.3621 0.3305 0.3040 ( 9547 PWs) bands (ev): -41.9602 -41.9602 -41.3970 -41.3970 -41.3473 -41.3473 -41.3473 -41.3473 -18.0451 -18.0451 -13.9090 -13.9090 -13.9086 -13.9086 -13.5230 -13.5230 -4.0808 -4.0808 -2.3946 -2.3946 -2.3418 -2.3416 -2.3360 -2.3360 1.4240 1.4240 1.4353 1.4362 1.4667 1.4667 2.4064 2.4064 2.4123 2.4132 4.0645 4.0645 4.3694 4.3694 4.3834 4.3872 6.6806 6.6806 11.4402 11.4402 11.4413 11.4427 11.8952 11.8952 k = 0.3534 0.3226 0.2967 ( 9556 PWs) bands (ev): -41.9602 -41.9602 -41.3971 -41.3971 -41.3472 -41.3472 -41.3472 -41.3472 -18.0489 -18.0489 -13.9067 -13.9067 -13.9063 -13.9063 -13.5179 -13.5179 -4.0930 -4.0930 -2.3923 -2.3923 -2.3342 -2.3339 -2.3284 -2.3284 1.3999 1.3999 1.4093 1.4103 1.4938 1.4938 2.4120 2.4120 2.4186 2.4196 4.0549 4.0549 4.3634 4.3634 4.3773 4.3813 6.7106 6.7106 11.4407 11.4407 11.4420 11.4433 11.8772 11.8772 k = 0.3448 0.3147 0.2895 ( 9556 PWs) bands (ev): -41.9603 -41.9603 -41.3972 -41.3972 -41.3471 -41.3471 -41.3471 -41.3471 -18.0528 -18.0528 -13.9043 -13.9043 -13.9039 -13.9039 -13.5126 -13.5126 -4.1057 -4.1057 -2.3895 -2.3895 -2.3262 -2.3260 -2.3204 -2.3204 1.3743 1.3743 1.3828 1.3837 1.5230 1.5230 2.4178 2.4178 2.4250 2.4261 4.0449 4.0449 4.3566 4.3566 4.3705 4.3746 6.7413 6.7413 11.4398 11.4398 11.4412 11.4425 11.8507 11.8507 k = 0.3362 0.3069 0.2823 ( 9559 PWs) bands (ev): -41.9604 -41.9604 -41.3973 -41.3973 -41.3471 -41.3471 -41.3471 -41.3471 -18.0568 -18.0568 -13.9018 -13.9018 -13.9014 -13.9014 -13.5073 -13.5073 -4.1188 -4.1188 -2.3864 -2.3864 -2.3179 -2.3176 -2.3121 -2.3121 1.3479 1.3479 1.3556 1.3566 1.5535 1.5535 2.4239 2.4239 2.4317 2.4328 4.0346 4.0346 4.3491 4.3491 4.3629 4.3671 6.7724 6.7724 11.4374 11.4374 11.4389 11.4402 11.8154 11.8154 k = 0.3276 0.2990 0.2750 ( 9556 PWs) bands (ev): -41.9604 -41.9604 -41.3974 -41.3974 -41.3470 -41.3470 -41.3470 -41.3470 -18.0609 -18.0609 -13.8993 -13.8993 -13.8988 -13.8988 -13.5017 -13.5017 -4.1322 -4.1322 -2.3827 -2.3827 -2.3092 -2.3089 -2.3034 -2.3034 1.3209 1.3209 1.3281 1.3290 1.5852 1.5852 2.4302 2.4302 2.4386 2.4398 4.0240 4.0240 4.3407 4.3407 4.3545 4.3587 6.8038 6.8038 11.4334 11.4334 11.4351 11.4362 11.7714 11.7714 k = 0.3190 0.2911 0.2678 ( 9532 PWs) bands (ev): -41.9605 -41.9605 -41.3975 -41.3975 -41.3469 -41.3469 -41.3469 -41.3469 -18.0652 -18.0652 -13.8966 -13.8966 -13.8962 -13.8962 -13.4961 -13.4961 -4.1460 -4.1460 -2.3786 -2.3786 -2.3002 -2.2999 -2.2944 -2.2944 1.2936 1.2936 1.3002 1.3011 1.6178 1.6178 2.4368 2.4368 2.4458 2.4470 4.0131 4.0131 4.3315 4.3315 4.3452 4.3495 6.8354 6.8354 11.4277 11.4277 11.4295 11.4306 11.7197 11.7197 k = 0.3103 0.2833 0.2605 ( 9538 PWs) bands (ev): -41.9606 -41.9606 -41.3976 -41.3976 -41.3468 -41.3468 -41.3468 -41.3468 -18.0695 -18.0695 -13.8939 -13.8939 -13.8935 -13.8935 -13.4905 -13.4905 -4.1600 -4.1600 -2.3740 -2.3740 -2.2909 -2.2906 -2.2851 -2.2851 1.2660 1.2660 1.2721 1.2729 1.6514 1.6514 2.4436 2.4436 2.4532 2.4545 4.0020 4.0020 4.3213 4.3213 4.3350 4.3393 6.8668 6.8668 11.4204 11.4204 11.4223 11.4233 11.6614 11.6614 k = 0.3017 0.2754 0.2533 ( 9520 PWs) bands (ev): -41.9606 -41.9606 -41.3977 -41.3977 -41.3467 -41.3467 -41.3467 -41.3467 -18.0738 -18.0738 -13.8912 -13.8912 -13.8907 -13.8907 -13.4848 -13.4848 -4.1743 -4.1743 -2.3689 -2.3689 -2.2813 -2.2810 -2.2755 -2.2755 1.2382 1.2382 1.2437 1.2445 1.6858 1.6858 2.4508 2.4508 2.4608 2.4622 3.9906 3.9906 4.3102 4.3102 4.3238 4.3283 6.8979 6.8979 11.4114 11.4114 11.4134 11.4143 11.5977 11.5977 k = 0.2931 0.2675 0.2461 ( 9520 PWs) bands (ev): -41.9607 -41.9607 -41.3978 -41.3978 -41.3467 -41.3467 -41.3467 -41.3467 -18.0782 -18.0782 -13.8883 -13.8883 -13.8879 -13.8879 -13.4791 -13.4791 -4.1887 -4.1887 -2.3633 -2.3633 -2.2715 -2.2712 -2.2656 -2.2656 1.2102 1.2102 1.2153 1.2161 1.7208 1.7208 2.4582 2.4582 2.4688 2.4702 3.9791 3.9791 4.2981 4.2981 4.3118 4.3162 6.9285 6.9285 11.4007 11.4007 11.4028 11.4036 11.5302 11.5302 k = 0.2845 0.2597 0.2388 ( 9515 PWs) bands (ev): -41.9608 -41.9608 -41.3980 -41.3980 -41.3466 -41.3466 -41.3466 -41.3466 -18.0827 -18.0827 -13.8855 -13.8855 -13.8851 -13.8850 -13.4733 -13.4733 -4.2032 -4.2032 -2.3571 -2.3571 -2.2614 -2.2611 -2.2555 -2.2555 1.1822 1.1822 1.1869 1.1877 1.7564 1.7564 2.4660 2.4660 2.4770 2.4785 3.9674 3.9674 4.2851 4.2851 4.2988 4.3032 6.9584 6.9584 11.3883 11.3883 11.3906 11.3913 11.4601 11.4601 k = 0.2759 0.2518 0.2316 ( 9512 PWs) bands (ev): -41.9608 -41.9608 -41.3981 -41.3981 -41.3465 -41.3465 -41.3465 -41.3465 -18.0871 -18.0871 -13.8826 -13.8826 -13.8822 -13.8821 -13.4676 -13.4676 -4.2179 -4.2179 -2.3505 -2.3505 -2.2511 -2.2508 -2.2452 -2.2452 1.1543 1.1543 1.1586 1.1593 1.7925 1.7925 2.4741 2.4741 2.4855 2.4871 3.9556 3.9556 4.2712 4.2712 4.2848 4.2893 6.9873 6.9873 11.3741 11.3741 11.3768 11.3774 11.3889 11.3889 k = 0.2672 0.2439 0.2244 ( 9494 PWs) bands (ev): -41.9609 -41.9609 -41.3982 -41.3982 -41.3464 -41.3464 -41.3464 -41.3464 -18.0916 -18.0916 -13.8797 -13.8797 -13.8793 -13.8792 -13.4619 -13.4619 -4.2325 -4.2325 -2.3432 -2.3432 -2.2407 -2.2403 -2.2347 -2.2347 1.1265 1.1265 1.1304 1.1311 1.8289 1.8289 2.4825 2.4825 2.4944 2.4960 3.9437 3.9437 4.2563 4.2563 4.2699 4.2744 7.0151 7.0151 11.3167 11.3167 11.3592 11.3592 11.3615 11.3620 k = 0.2586 0.2361 0.2171 ( 9518 PWs) bands (ev): -41.9610 -41.9610 -41.3983 -41.3983 -41.3463 -41.3463 -41.3463 -41.3463 -18.0961 -18.0961 -13.8768 -13.8768 -13.8763 -13.8763 -13.4563 -13.4563 -4.2471 -4.2471 -2.3355 -2.3355 -2.2301 -2.2297 -2.2241 -2.2241 1.0989 1.0989 1.1025 1.1031 1.8656 1.8656 2.4913 2.4913 2.5036 2.5052 3.9318 3.9318 4.2405 4.2405 4.2540 4.2585 7.0416 7.0416 11.2457 11.2457 11.3423 11.3423 11.3448 11.3451 k = 0.2500 0.2282 0.2099 ( 9524 PWs) bands (ev): -41.9611 -41.9611 -41.3984 -41.3984 -41.3462 -41.3462 -41.3462 -41.3462 -18.1005 -18.1005 -13.8738 -13.8738 -13.8734 -13.8734 -13.4508 -13.4508 -4.2617 -4.2617 -2.3273 -2.3273 -2.2193 -2.2189 -2.2133 -2.2133 1.0715 1.0715 1.0748 1.0754 1.9023 1.9023 2.5004 2.5004 2.5131 2.5148 3.9199 3.9199 4.2237 4.2237 4.2373 4.2417 7.0664 7.0664 11.1762 11.1762 11.3242 11.3242 11.3268 11.3270 k = 0.2414 0.2203 0.2026 ( 9509 PWs) bands (ev): -41.9612 -41.9612 -41.3985 -41.3985 -41.3462 -41.3462 -41.3461 -41.3461 -18.1049 -18.1049 -13.8709 -13.8709 -13.8705 -13.8704 -13.4453 -13.4453 -4.2762 -4.2762 -2.3186 -2.3186 -2.2085 -2.2081 -2.2025 -2.2025 1.0445 1.0445 1.0475 1.0480 1.9391 1.9391 2.5100 2.5100 2.5230 2.5247 3.9081 3.9081 4.2060 4.2060 4.2196 4.2240 7.0896 7.0896 11.1090 11.1090 11.3050 11.3050 11.3077 11.3078 k = 0.2328 0.2125 0.1954 ( 9509 PWs) bands (ev): -41.9612 -41.9612 -41.3987 -41.3987 -41.3461 -41.3461 -41.3461 -41.3461 -18.1092 -18.1092 -13.8680 -13.8680 -13.8675 -13.8675 -13.4400 -13.4400 -4.2905 -4.2905 -2.3094 -2.3094 -2.1975 -2.1971 -2.1915 -2.1915 1.0179 1.0179 1.0206 1.0211 1.9757 1.9757 2.5199 2.5199 2.5332 2.5350 3.8963 3.8963 4.1875 4.1875 4.2011 4.2055 7.1108 7.1108 11.0446 11.0446 11.2847 11.2847 11.2875 11.2875 k = 0.2241 0.2046 0.1882 ( 9521 PWs) bands (ev): -41.9613 -41.9613 -41.3988 -41.3988 -41.3460 -41.3460 -41.3460 -41.3460 -18.1135 -18.1135 -13.8651 -13.8651 -13.8646 -13.8646 -13.4348 -13.4348 -4.3047 -4.3047 -2.2998 -2.2998 -2.1866 -2.1862 -2.1806 -2.1806 0.9918 0.9918 0.9942 0.9946 2.0120 2.0120 2.5302 2.5302 2.5438 2.5456 3.8846 3.8846 4.1681 4.1681 4.1817 4.1860 7.1300 7.1300 10.9838 10.9838 11.2636 11.2636 11.2663 11.2664 k = 0.2155 0.1967 0.1809 ( 9509 PWs) bands (ev): -41.9614 -41.9614 -41.3989 -41.3989 -41.3459 -41.3459 -41.3459 -41.3459 -18.1178 -18.1178 -13.8622 -13.8622 -13.8618 -13.8617 -13.4297 -13.4297 -4.3186 -4.3186 -2.2898 -2.2898 -2.1757 -2.1752 -2.1696 -2.1696 0.9661 0.9661 0.9684 0.9687 2.0480 2.0480 2.5408 2.5408 2.5548 2.5566 3.8730 3.8730 4.1479 4.1479 4.1615 4.1658 7.1470 7.1470 10.9269 10.9269 11.2418 11.2418 11.2445 11.2446 k = 0.2069 0.1888 0.1737 ( 9500 PWs) bands (ev): -41.9615 -41.9615 -41.3990 -41.3990 -41.3458 -41.3458 -41.3458 -41.3458 -18.1219 -18.1219 -13.8594 -13.8594 -13.8589 -13.8589 -13.4247 -13.4247 -4.3322 -4.3322 -2.2795 -2.2795 -2.1648 -2.1643 -2.1587 -2.1587 0.9411 0.9411 0.9431 0.9434 2.0835 2.0835 2.5519 2.5519 2.5661 2.5680 3.8617 3.8617 4.1270 4.1270 4.1406 4.1449 7.1617 7.1617 10.8743 10.8743 11.2193 11.2193 11.2220 11.2223 k = 0.1983 0.1810 0.1665 ( 9506 PWs) bands (ev): -41.9615 -41.9615 -41.3991 -41.3991 -41.3457 -41.3457 -41.3457 -41.3457 -18.1260 -18.1260 -13.8566 -13.8566 -13.8561 -13.8561 -13.4199 -13.4199 -4.3456 -4.3456 -2.2688 -2.2688 -2.1539 -2.1535 -2.1478 -2.1478 0.9167 0.9167 0.9185 0.9187 2.1183 2.1183 2.5634 2.5634 2.5779 2.5797 3.8505 3.8505 4.1055 4.1055 4.1191 4.1233 7.1740 7.1740 10.8263 10.8263 11.1965 11.1965 11.1992 11.1995 k = 0.1897 0.1731 0.1592 ( 9491 PWs) bands (ev): -41.9616 -41.9616 -41.3992 -41.3992 -41.3456 -41.3456 -41.3456 -41.3456 -18.1299 -18.1299 -13.8538 -13.8538 -13.8534 -13.8534 -13.4153 -13.4153 -4.3586 -4.3586 -2.2579 -2.2579 -2.1432 -2.1428 -2.1371 -2.1371 0.8929 0.8929 0.8946 0.8948 2.1524 2.1524 2.5752 2.5752 2.5899 2.5918 3.8395 3.8395 4.0833 4.0833 4.0969 4.1010 7.1840 7.1840 10.7832 10.7832 11.1734 11.1734 11.1761 11.1765 k = 0.1810 0.1652 0.1520 ( 9485 PWs) bands (ev): -41.9617 -41.9617 -41.3993 -41.3993 -41.3456 -41.3456 -41.3456 -41.3456 -18.1338 -18.1338 -13.8511 -13.8511 -13.8507 -13.8507 -13.4109 -13.4109 -4.3712 -4.3712 -2.2467 -2.2467 -2.1326 -2.1322 -2.1265 -2.1265 0.8699 0.8699 0.8714 0.8716 2.1857 2.1857 2.5874 2.5874 2.6023 2.6043 3.8288 3.8288 4.0606 4.0606 4.0742 4.0782 7.1916 7.1916 10.7451 10.7451 11.1502 11.1502 11.1529 11.1533 k = 0.1724 0.1574 0.1447 ( 9500 PWs) bands (ev): -41.9617 -41.9617 -41.3994 -41.3994 -41.3455 -41.3455 -41.3455 -41.3455 -18.1375 -18.1375 -13.8485 -13.8485 -13.8481 -13.8481 -13.4066 -13.4066 -4.3835 -4.3835 -2.2354 -2.2354 -2.1222 -2.1218 -2.1160 -2.1160 0.8477 0.8477 0.8490 0.8491 2.2180 2.2180 2.5999 2.5999 2.6151 2.6170 3.8184 3.8184 4.0374 4.0374 4.0511 4.0550 7.1968 7.1968 10.7122 10.7122 11.1271 11.1271 11.1298 11.1303 k = 0.1638 0.1495 0.1375 ( 9506 PWs) bands (ev): -41.9618 -41.9618 -41.3996 -41.3996 -41.3454 -41.3454 -41.3454 -41.3454 -18.1411 -18.1411 -13.8460 -13.8460 -13.8455 -13.8455 -13.4025 -13.4025 -4.3953 -4.3953 -2.2240 -2.2240 -2.1120 -2.1116 -2.1058 -2.1058 0.8263 0.8263 0.8274 0.8275 2.2493 2.2493 2.6127 2.6127 2.6281 2.6301 3.8083 3.8083 4.0139 4.0139 4.0276 4.0314 7.1998 7.1998 10.6844 10.6844 11.1042 11.1042 11.1069 11.1074 k = 0.1552 0.1416 0.1303 ( 9506 PWs) bands (ev): -41.9619 -41.9619 -41.3997 -41.3997 -41.3453 -41.3453 -41.3453 -41.3453 -18.1445 -18.1445 -13.8435 -13.8435 -13.8431 -13.8431 -13.3986 -13.3986 -4.4067 -4.4067 -2.2126 -2.2126 -2.1020 -2.1016 -2.0959 -2.0959 0.8057 0.8057 0.8068 0.8068 2.2794 2.2794 2.6258 2.6258 2.6414 2.6434 3.7986 3.7986 3.9902 3.9902 4.0038 4.0076 7.2007 7.2007 10.6616 10.6616 11.0817 11.0817 11.0843 11.0849 k = 0.1466 0.1338 0.1230 ( 9494 PWs) bands (ev): -41.9619 -41.9619 -41.3997 -41.3997 -41.3453 -41.3453 -41.3453 -41.3453 -18.1478 -18.1478 -13.8412 -13.8412 -13.8407 -13.8407 -13.3950 -13.3950 -4.4175 -4.4175 -2.2012 -2.2012 -2.0924 -2.0920 -2.0862 -2.0862 0.7861 0.7861 0.7870 0.7870 2.3082 2.3082 2.6391 2.6391 2.6549 2.6569 3.7892 3.7892 3.9663 3.9663 3.9799 3.9836 7.1996 7.1996 10.6437 10.6437 11.0596 11.0596 11.0622 11.0628 k = 0.1379 0.1259 0.1158 ( 9488 PWs) bands (ev): -41.9620 -41.9620 -41.3998 -41.3998 -41.3452 -41.3452 -41.3452 -41.3452 -18.1510 -18.1510 -13.8389 -13.8389 -13.8385 -13.8384 -13.3915 -13.3915 -4.4279 -4.4279 -2.1900 -2.1900 -2.0830 -2.0826 -2.0768 -2.0768 0.7673 0.7673 0.7682 0.7682 2.3358 2.3358 2.6527 2.6527 2.6686 2.6706 3.7802 3.7802 3.9424 3.9424 3.9560 3.9595 7.1968 7.1968 10.6306 10.6306 11.0382 11.0382 11.0408 11.0414 k = 0.1293 0.1180 0.1086 ( 9494 PWs) bands (ev): -41.9621 -41.9621 -41.3999 -41.3999 -41.3451 -41.3451 -41.3451 -41.3451 -18.1540 -18.1540 -13.8367 -13.8367 -13.8363 -13.8363 -13.3882 -13.3882 -4.4378 -4.4378 -2.1789 -2.1789 -2.0740 -2.0736 -2.0678 -2.0678 0.7496 0.7496 0.7503 0.7503 2.3619 2.3619 2.6663 2.6663 2.6824 2.6843 3.7717 3.7717 3.9185 3.9185 3.9322 3.9356 7.1925 7.1925 10.6220 10.6220 11.0174 11.0174 11.0201 11.0207 k = 0.1207 0.1102 0.1013 ( 9527 PWs) bands (ev): -41.9621 -41.9621 -41.4000 -41.4000 -41.3451 -41.3451 -41.3451 -41.3451 -18.1568 -18.1568 -13.8347 -13.8347 -13.8342 -13.8342 -13.3852 -13.3852 -4.4471 -4.4471 -2.1681 -2.1681 -2.0654 -2.0651 -2.0592 -2.0592 0.7328 0.7328 0.7334 0.7335 2.3865 2.3865 2.6800 2.6800 2.6963 2.6982 3.7635 3.7635 3.8950 3.8950 3.9086 3.9119 7.1868 7.1868 10.6175 10.6175 10.9976 10.9976 11.0003 11.0009 k = 0.1121 0.1023 0.0941 ( 9548 PWs) bands (ev): -41.9622 -41.9622 -41.4001 -41.4001 -41.3450 -41.3450 -41.3450 -41.3450 -18.1594 -18.1594 -13.8327 -13.8327 -13.8323 -13.8323 -13.3823 -13.3823 -4.4558 -4.4558 -2.1576 -2.1576 -2.0573 -2.0569 -2.0510 -2.0510 0.7171 0.7171 0.7176 0.7177 2.4096 2.4096 2.6936 2.6936 2.7101 2.7119 3.7559 3.7559 3.8718 3.8718 3.8855 3.8886 7.1802 7.1802 10.6168 10.6168 10.9787 10.9787 10.9814 10.9820 k = 0.1034 0.0944 0.0868 ( 9566 PWs) bands (ev): -41.9622 -41.9622 -41.4002 -41.4002 -41.3450 -41.3450 -41.3450 -41.3450 -18.1619 -18.1619 -13.8309 -13.8309 -13.8305 -13.8304 -13.3797 -13.3797 -4.4640 -4.4640 -2.1475 -2.1475 -2.0496 -2.0492 -2.0433 -2.0433 0.7024 0.7024 0.7028 0.7029 2.4312 2.4312 2.7071 2.7071 2.7237 2.7255 3.7487 3.7487 3.8492 3.8492 3.8628 3.8658 7.1728 7.1728 10.6194 10.6194 10.9608 10.9608 10.9635 10.9641 k = 0.0948 0.0866 0.0796 ( 9566 PWs) bands (ev): -41.9623 -41.9623 -41.4003 -41.4003 -41.3450 -41.3450 -41.3450 -41.3450 -18.1642 -18.1642 -13.8292 -13.8292 -13.8288 -13.8287 -13.3773 -13.3773 -4.4715 -4.4715 -2.1379 -2.1379 -2.0424 -2.0420 -2.0361 -2.0361 0.6889 0.6889 0.6892 0.6893 2.4511 2.4511 2.7204 2.7204 2.7372 2.7389 3.7420 3.7420 3.8274 3.8274 3.8409 3.8437 7.1648 7.1648 10.6249 10.6249 10.9441 10.9441 10.9468 10.9474 k = 0.0862 0.0787 0.0724 ( 9548 PWs) bands (ev): -41.9623 -41.9623 -41.4003 -41.4003 -41.3449 -41.3449 -41.3449 -41.3449 -18.1663 -18.1663 -13.8277 -13.8277 -13.8272 -13.8272 -13.3750 -13.3750 -4.4785 -4.4785 -2.1289 -2.1289 -2.0357 -2.0354 -2.0294 -2.0294 0.6764 0.6764 0.6766 0.6767 2.4693 2.4693 2.7333 2.7333 2.7502 2.7519 3.7358 3.7358 3.8064 3.8064 3.8200 3.8226 7.1567 7.1567 10.6328 10.6328 10.9285 10.9285 10.9314 10.9319 k = 0.0776 0.0708 0.0651 ( 9530 PWs) bands (ev): -41.9624 -41.9624 -41.4004 -41.4004 -41.3449 -41.3449 -41.3449 -41.3449 -18.1682 -18.1682 -13.8262 -13.8262 -13.8258 -13.8258 -13.3730 -13.3730 -4.4848 -4.4848 -2.1205 -2.1205 -2.0295 -2.0292 -2.0232 -2.0232 0.6650 0.6650 0.6652 0.6653 2.4859 2.4859 2.7456 2.7456 2.7628 2.7643 3.7300 3.7300 3.7866 3.7866 3.8001 3.8025 7.1485 7.1485 10.6425 10.6425 10.9143 10.9143 10.9171 10.9176 k = 0.0690 0.0629 0.0579 ( 9518 PWs) bands (ev): -41.9624 -41.9624 -41.4004 -41.4004 -41.3448 -41.3448 -41.3448 -41.3448 -18.1700 -18.1700 -13.8249 -13.8249 -13.8245 -13.8245 -13.3713 -13.3713 -4.4905 -4.4905 -2.1128 -2.1128 -2.0239 -2.0237 -2.0176 -2.0176 0.6548 0.6548 0.6550 0.6551 2.5007 2.5007 2.7574 2.7574 2.7747 2.7761 3.7248 3.7248 3.7682 3.7682 3.7815 3.7837 7.1405 7.1405 10.6535 10.6535 10.9014 10.9014 10.9043 10.9047 k = 0.0603 0.0551 0.0507 ( 9527 PWs) bands (ev): -41.9624 -41.9624 -41.4005 -41.4005 -41.3448 -41.3448 -41.3448 -41.3448 -18.1715 -18.1715 -13.8238 -13.8238 -13.8233 -13.8233 -13.3697 -13.3697 -4.4955 -4.4955 -2.1058 -2.1058 -2.0189 -2.0187 -2.0127 -2.0127 0.6458 0.6458 0.6459 0.6460 2.5139 2.5139 2.7683 2.7683 2.7858 2.7871 3.7200 3.7200 3.7515 3.7515 3.7645 3.7665 7.1330 7.1330 10.6652 10.6652 10.8899 10.8899 10.8928 10.8932 k = 0.0517 0.0472 0.0434 ( 9548 PWs) bands (ev): -41.9625 -41.9625 -41.4005 -41.4005 -41.3448 -41.3448 -41.3448 -41.3448 -18.1728 -18.1728 -13.8228 -13.8228 -13.8223 -13.8223 -13.3683 -13.3683 -4.4999 -4.4999 -2.0996 -2.0996 -2.0146 -2.0144 -2.0083 -2.0083 0.6379 0.6379 0.6380 0.6381 2.5252 2.5252 2.7782 2.7782 2.7958 2.7970 3.7154 3.7154 3.7367 3.7367 3.7492 3.7509 7.1261 7.1261 10.6769 10.6769 10.8799 10.8799 10.8828 10.8831 k = 0.0431 0.0393 0.0362 ( 9548 PWs) bands (ev): -41.9625 -41.9625 -41.4005 -41.4005 -41.3447 -41.3447 -41.3447 -41.3447 -18.1740 -18.1740 -13.8219 -13.8219 -13.8215 -13.8215 -13.3672 -13.3672 -4.5036 -4.5036 -2.0943 -2.0943 -2.0108 -2.0107 -2.0046 -2.0046 0.6312 0.6312 0.6313 0.6314 2.5349 2.5349 2.7869 2.7869 2.8048 2.8058 3.7107 3.7107 3.7248 3.7248 3.7358 3.7373 7.1200 7.1200 10.6881 10.6881 10.8713 10.8713 10.8743 10.8745 k = 0.0345 0.0315 0.0289 ( 9548 PWs) bands (ev): -41.9625 -41.9625 -41.4006 -41.4006 -41.3447 -41.3447 -41.3447 -41.3447 -18.1749 -18.1749 -13.8212 -13.8212 -13.8208 -13.8208 -13.3662 -13.3662 -4.5067 -4.5067 -2.0899 -2.0899 -2.0078 -2.0076 -2.0015 -2.0015 0.6258 0.6258 0.6258 0.6258 2.5428 2.5428 2.7944 2.7944 2.8124 2.8132 3.7047 3.7047 3.7167 3.7167 3.7246 3.7258 7.1148 7.1148 10.6983 10.6983 10.8642 10.8642 10.8672 10.8675 k = 0.0259 0.0236 0.0217 ( 9554 PWs) bands (ev): -41.9625 -41.9625 -41.4006 -41.4006 -41.3447 -41.3447 -41.3447 -41.3447 -18.1756 -18.1756 -13.8207 -13.8207 -13.8202 -13.8202 -13.3655 -13.3655 -4.5090 -4.5090 -2.0865 -2.0865 -2.0053 -2.0052 -1.9991 -1.9991 0.6215 0.6215 0.6215 0.6215 2.5489 2.5489 2.8004 2.8004 2.8185 2.8192 3.6980 3.6980 3.7123 3.7123 3.7157 3.7166 7.1106 7.1106 10.7068 10.7068 10.8587 10.8587 10.8617 10.8619 k = 0.0172 0.0157 0.0145 ( 9533 PWs) bands (ev): -41.9625 -41.9625 -41.4006 -41.4006 -41.3447 -41.3447 -41.3447 -41.3447 -18.1761 -18.1761 -13.8203 -13.8203 -13.8198 -13.8198 -13.3650 -13.3650 -4.5107 -4.5107 -2.0840 -2.0840 -2.0036 -2.0035 -1.9974 -1.9974 0.6184 0.6184 0.6184 0.6185 2.5533 2.5533 2.8047 2.8047 2.8230 2.8235 3.6923 3.6923 3.7092 3.7098 3.7099 3.7099 7.1076 7.1076 10.7132 10.7132 10.8547 10.8547 10.8578 10.8579 k = 0.0086 0.0079 0.0072 ( 9539 PWs) bands (ev): -41.9625 -41.9625 -41.4006 -41.4006 -41.3447 -41.3447 -41.3447 -41.3447 -18.1764 -18.1764 -13.8201 -13.8201 -13.8196 -13.8196 -13.3647 -13.3647 -4.5118 -4.5118 -2.0824 -2.0824 -2.0026 -2.0025 -1.9963 -1.9963 0.6166 0.6166 0.6166 0.6166 2.5559 2.5559 2.8074 2.8074 2.8258 2.8260 3.6886 3.6886 3.7054 3.7057 3.7086 3.7086 7.1057 7.1057 10.7172 10.7172 10.8524 10.8524 10.8555 10.8555 k = 0.0000 0.0000 0.0000 ( 9533 PWs) bands (ev): -41.9625 -41.9625 -41.4006 -41.4006 -41.3447 -41.3447 -41.3447 -41.3447 -18.1766 -18.1766 -13.8200 -13.8200 -13.8195 -13.8195 -13.3646 -13.3646 -4.5121 -4.5121 -2.0819 -2.0819 -2.0022 -2.0022 -1.9960 -1.9960 0.6160 0.6160 0.6160 0.6160 2.5568 2.5568 2.8083 2.8083 2.8268 2.8268 3.6874 3.6874 3.7042 3.7042 3.7082 3.7082 7.1051 7.1051 10.7186 10.7186 10.8516 10.8516 10.8547 10.8547 k = 0.0000 0.0000 0.0000 ( 9533 PWs) bands (ev): -41.9625 -41.9625 -41.4006 -41.4006 -41.3447 -41.3447 -41.3447 -41.3447 -18.1766 -18.1766 -13.8200 -13.8200 -13.8195 -13.8195 -13.3646 -13.3646 -4.5121 -4.5121 -2.0819 -2.0819 -2.0022 -2.0022 -1.9960 -1.9960 0.6160 0.6160 0.6160 0.6160 2.5568 2.5568 2.8083 2.8083 2.8268 2.8268 3.6874 3.6874 3.7042 3.7042 3.7082 3.7082 7.1051 7.1051 10.7186 10.7186 10.8516 10.8516 10.8547 10.8547 k = 0.0092-0.0008-0.0101 ( 9529 PWs) bands (ev): -41.9625 -41.9625 -41.4007 -41.4007 -41.3447 -41.3447 -41.3446 -41.3446 -18.1765 -18.1765 -13.8201 -13.8201 -13.8196 -13.8196 -13.3647 -13.3647 -4.5114 -4.5114 -2.0830 -2.0824 -2.0023 -2.0023 -1.9964 -1.9958 0.6163 0.6163 0.6164 0.6165 2.5563 2.5568 2.8072 2.8078 2.8261 2.8261 3.6803 3.6888 3.6969 3.7010 3.7144 3.7188 7.1067 7.1069 10.7030 10.7042 10.8542 10.8546 10.8655 10.8668 k = 0.0185-0.0017-0.0202 ( 9543 PWs) bands (ev): -41.9625 -41.9625 -41.4009 -41.4009 -41.3447 -41.3447 -41.3444 -41.3444 -18.1762 -18.1762 -13.8204 -13.8204 -13.8197 -13.8197 -13.3650 -13.3650 -4.5094 -4.5094 -2.0853 -2.0842 -2.0026 -2.0024 -1.9970 -1.9958 0.6171 0.6172 0.6178 0.6180 2.5555 2.5565 2.8045 2.8058 2.8237 2.8238 3.6707 3.6812 3.6944 3.6992 3.7254 3.7312 7.1117 7.1120 10.6678 10.6695 10.8588 10.8591 10.8934 10.8955 k = 0.0277-0.0025-0.0302 ( 9547 PWs) bands (ev): -41.9625 -41.9625 -41.4013 -41.4013 -41.3447 -41.3447 -41.3441 -41.3441 -18.1758 -18.1758 -13.8210 -13.8210 -13.8199 -13.8199 -13.3654 -13.3654 -4.5061 -4.5061 -2.0890 -2.0874 -2.0034 -2.0027 -1.9979 -1.9959 0.6186 0.6187 0.6202 0.6204 2.5543 2.5558 2.8002 2.8021 2.8197 2.8202 3.6605 3.6708 3.6940 3.6984 3.7377 3.7441 7.1199 7.1204 10.6242 10.6259 10.8660 10.8664 10.9264 10.9288 k = 0.0369-0.0034-0.0403 ( 9549 PWs) bands (ev): -41.9624 -41.9624 -41.4017 -41.4017 -41.3447 -41.3447 -41.3437 -41.3437 -18.1752 -18.1752 -13.8219 -13.8219 -13.8200 -13.8200 -13.3661 -13.3661 -4.5015 -4.5015 -2.0938 -2.0918 -2.0046 -2.0031 -1.9992 -1.9963 0.6206 0.6208 0.6235 0.6238 2.5527 2.5548 2.7940 2.7969 2.8143 2.8153 3.6504 3.6605 3.6936 3.6982 3.7506 3.7573 7.1312 7.1318 10.5767 10.5783 10.8761 10.8765 10.9602 10.9628 k = 0.0461-0.0042-0.0504 ( 9545 PWs) bands (ev): -41.9623 -41.9623 -41.4023 -41.4023 -41.3447 -41.3447 -41.3431 -41.3431 -18.1744 -18.1744 -13.8231 -13.8231 -13.8202 -13.8202 -13.3670 -13.3670 -4.4956 -4.4956 -2.0997 -2.0973 -2.0063 -2.0036 -2.0009 -1.9968 0.6233 0.6234 0.6277 0.6281 2.5507 2.5533 2.7859 2.7898 2.8076 2.8093 3.6405 3.6506 3.6934 3.6984 3.7638 3.7706 7.1453 7.1461 10.5273 10.5288 10.8888 10.8894 10.9935 10.9962 k = 0.0554-0.0051-0.0605 ( 9541 PWs) bands (ev): -41.9623 -41.9623 -41.4030 -41.4030 -41.3447 -41.3447 -41.3425 -41.3425 -18.1734 -18.1734 -13.8246 -13.8246 -13.8204 -13.8204 -13.3680 -13.3680 -4.4885 -4.4885 -2.1065 -2.1037 -2.0087 -2.0047 -2.0028 -1.9975 0.6265 0.6267 0.6329 0.6333 2.5485 2.5516 2.7757 2.7809 2.7997 2.8023 3.6310 3.6411 3.6937 3.6992 3.7771 3.7841 7.1620 7.1628 10.4772 10.4786 10.9042 10.9049 11.0259 11.0286 k = 0.0646-0.0059-0.0705 ( 9541 PWs) bands (ev): -41.9622 -41.9622 -41.4038 -41.4038 -41.3447 -41.3447 -41.3418 -41.3418 -18.1723 -18.1723 -13.8263 -13.8263 -13.8207 -13.8207 -13.3693 -13.3693 -4.4802 -4.4801 -2.1140 -2.1110 -2.0119 -2.0072 -2.0041 -1.9983 0.6303 0.6305 0.6390 0.6394 2.5459 2.5495 2.7634 2.7698 2.7911 2.7946 3.6218 3.6319 3.6947 3.7007 3.7906 3.7976 7.1808 7.1818 10.4274 10.4287 10.9222 10.9229 11.0575 11.0603 k = 0.0738-0.0067-0.0806 ( 9533 PWs) bands (ev): -41.9620 -41.9620 -41.4047 -41.4047 -41.3447 -41.3447 -41.3410 -41.3410 -18.1710 -18.1710 -13.8282 -13.8282 -13.8210 -13.8210 -13.3707 -13.3707 -4.4707 -4.4706 -2.1222 -2.1190 -2.0159 -2.0111 -2.0051 -1.9992 0.6346 0.6350 0.6459 0.6465 2.5429 2.5472 2.7490 2.7564 2.7817 2.7861 3.6130 3.6231 3.6967 3.7032 3.8041 3.8111 7.2014 7.2025 10.3786 10.3797 10.9424 10.9432 11.0884 11.0912 k = 0.0831-0.0076-0.0907 ( 9539 PWs) bands (ev): -41.9619 -41.9619 -41.4056 -41.4056 -41.3447 -41.3447 -41.3402 -41.3402 -18.1696 -18.1696 -13.8304 -13.8303 -13.8213 -13.8213 -13.3722 -13.3722 -4.4601 -4.4600 -2.1310 -2.1276 -2.0207 -2.0160 -2.0060 -2.0003 0.6396 0.6400 0.6538 0.6544 2.5397 2.5446 2.7325 2.7408 2.7719 2.7769 3.6045 3.6146 3.6998 3.7068 3.8175 3.8245 7.2233 7.2245 10.3316 10.3326 10.9649 10.9658 11.1189 11.1217 k = 0.0923-0.0084-0.1008 ( 9541 PWs) bands (ev): -41.9618 -41.9618 -41.4066 -41.4066 -41.3448 -41.3448 -41.3393 -41.3393 -18.1680 -18.1680 -13.8327 -13.8327 -13.8217 -13.8217 -13.3740 -13.3740 -4.4484 -4.4484 -2.1402 -2.1367 -2.0265 -2.0219 -2.0071 -2.0015 0.6451 0.6455 0.6626 0.6632 2.5362 2.5417 2.7139 2.7231 2.7616 2.7671 3.5964 3.6065 3.7043 3.7117 3.8308 3.8379 7.2460 7.2474 10.2870 10.2879 10.9895 10.9904 11.1492 11.1519 k = 0.1015-0.0093-0.1108 ( 9542 PWs) bands (ev): -41.9616 -41.9616 -41.4076 -41.4076 -41.3448 -41.3448 -41.3384 -41.3384 -18.1663 -18.1663 -13.8353 -13.8353 -13.8222 -13.8222 -13.3758 -13.3758 -4.4358 -4.4358 -2.1497 -2.1461 -2.0333 -2.0288 -2.0082 -2.0028 0.6512 0.6517 0.6721 0.6729 2.5324 2.5386 2.6935 2.7035 2.7509 2.7568 3.5887 3.5987 3.7102 3.7179 3.8439 3.8511 7.2691 7.2705 10.2455 10.2463 11.0159 11.0169 11.1794 11.1822 k = 0.1108-0.0101-0.1209 ( 9538 PWs) bands (ev): -41.9615 -41.9615 -41.4087 -41.4087 -41.3448 -41.3448 -41.3374 -41.3374 -18.1644 -18.1644 -13.8381 -13.8380 -13.8227 -13.8227 -13.3779 -13.3779 -4.4222 -4.4222 -2.1596 -2.1559 -2.0410 -2.0367 -2.0095 -2.0042 0.6579 0.6584 0.6825 0.6834 2.5282 2.5352 2.6712 2.6821 2.7399 2.7461 3.5814 3.5913 3.7175 3.7256 3.8569 3.8641 7.2920 7.2936 10.2077 10.2084 11.0440 11.0451 11.2098 11.2125 k = 0.1200-0.0110-0.1310 ( 9540 PWs) bands (ev): -41.9613 -41.9613 -41.4097 -41.4097 -41.3448 -41.3448 -41.3365 -41.3365 -18.1624 -18.1624 -13.8410 -13.8409 -13.8233 -13.8233 -13.3800 -13.3800 -4.4079 -4.4078 -2.1697 -2.1660 -2.0496 -2.0456 -2.0109 -2.0057 0.6651 0.6657 0.6938 0.6946 2.5235 2.5315 2.6473 2.6591 2.7286 2.7350 3.5744 3.5844 3.7263 3.7347 3.8697 3.8769 7.3142 7.3159 10.1741 10.1747 11.0735 11.0747 11.2405 11.2432 k = 0.1292-0.0118-0.1411 ( 9540 PWs) bands (ev): -41.9612 -41.9612 -41.4108 -41.4108 -41.3449 -41.3449 -41.3356 -41.3356 -18.1602 -18.1602 -13.8441 -13.8440 -13.8239 -13.8239 -13.3823 -13.3823 -4.3927 -4.3927 -2.1799 -2.1762 -2.0592 -2.0554 -2.0124 -2.0073 0.6729 0.6736 0.7057 0.7067 2.5181 2.5275 2.6220 2.6350 2.7171 2.7237 3.5680 3.5778 3.7367 3.7453 3.8823 3.8896 7.3353 7.3371 10.1452 10.1458 11.1044 11.1056 11.2715 11.2742 k = 0.1384-0.0127-0.1512 ( 9532 PWs) bands (ev): -41.9610 -41.9610 -41.4119 -41.4119 -41.3449 -41.3449 -41.3346 -41.3346 -18.1580 -18.1580 -13.8473 -13.8472 -13.8246 -13.8246 -13.3847 -13.3847 -4.3769 -4.3769 -2.1904 -2.1865 -2.0696 -2.0661 -2.0141 -2.0090 0.6813 0.6820 0.7185 0.7195 2.5116 2.5229 2.5957 2.6103 2.7056 2.7123 3.5621 3.5718 3.7484 3.7573 3.8947 3.9021 7.3548 7.3566 10.1214 10.1219 11.1364 11.1377 11.3029 11.3056 k = 0.1477-0.0135-0.1612 ( 9534 PWs) bands (ev): -41.9608 -41.9608 -41.4129 -41.4129 -41.3449 -41.3449 -41.3337 -41.3337 -18.1556 -18.1556 -13.8506 -13.8506 -13.8254 -13.8254 -13.3872 -13.3872 -4.3606 -4.3605 -2.2009 -2.1970 -2.0809 -2.0777 -2.0159 -2.0108 0.6902 0.6910 0.7319 0.7330 2.5032 2.5172 2.5690 2.5857 2.6940 2.7009 3.5566 3.5663 3.7614 3.7707 3.9068 3.9144 7.3722 7.3742 10.1031 10.1036 11.1692 11.1705 11.3349 11.3375 k = 0.1569-0.0143-0.1713 ( 9534 PWs) bands (ev): -41.9607 -41.9607 -41.4139 -41.4139 -41.3449 -41.3449 -41.3328 -41.3328 -18.1531 -18.1531 -13.8541 -13.8540 -13.8262 -13.8262 -13.3897 -13.3897 -4.3437 -4.3436 -2.2115 -2.2076 -2.0929 -2.0900 -2.0177 -2.0128 0.6997 0.7006 0.7461 0.7472 2.4916 2.5083 2.5440 2.5630 2.6826 2.6896 3.5518 3.5614 3.7757 3.7853 3.9189 3.9266 7.3873 7.3893 10.0907 10.0912 11.2026 11.2040 11.3673 11.3699 k = 0.1661-0.0152-0.1814 ( 9536 PWs) bands (ev): -41.9605 -41.9605 -41.4149 -41.4149 -41.3450 -41.3450 -41.3320 -41.3320 -18.1505 -18.1505 -13.8576 -13.8576 -13.8272 -13.8271 -13.3924 -13.3924 -4.3264 -4.3264 -2.2222 -2.2183 -2.1054 -2.1029 -2.0197 -2.0148 0.7097 0.7106 0.7608 0.7620 2.4748 2.4914 2.5260 2.5441 2.6714 2.6785 3.5475 3.5570 3.7911 3.8010 3.9307 3.9387 7.3997 7.4018 10.0842 10.0847 11.2364 11.2379 11.4003 11.4029 k = 0.1754-0.0160-0.1915 ( 9524 PWs) bands (ev): -41.9603 -41.9603 -41.4159 -41.4159 -41.3450 -41.3450 -41.3311 -41.3311 -18.1478 -18.1478 -13.8612 -13.8612 -13.8282 -13.8281 -13.3951 -13.3951 -4.3089 -4.3088 -2.2331 -2.2291 -2.1185 -2.1163 -2.0218 -2.0169 0.7202 0.7213 0.7762 0.7775 2.4521 2.4653 2.5160 2.5299 2.6605 2.6676 3.5439 3.5533 3.8074 3.8177 3.9425 3.9508 7.4093 7.4114 10.0838 10.0843 11.2704 11.2719 11.4339 11.4364 k = 0.1846-0.0169-0.2015 ( 9524 PWs) bands (ev): -41.9601 -41.9601 -41.4168 -41.4168 -41.3451 -41.3451 -41.3303 -41.3303 -18.1450 -18.1450 -13.8649 -13.8648 -13.8292 -13.8292 -13.3979 -13.3979 -4.2911 -4.2910 -2.2441 -2.2400 -2.1318 -2.1301 -2.0240 -2.0191 0.7313 0.7325 0.7922 0.7935 2.4246 2.4352 2.5090 2.5194 2.6501 2.6572 3.5409 3.5502 3.8245 3.8353 3.9543 3.9629 7.4159 7.4180 10.0895 10.0900 11.3041 11.3057 11.4680 11.4705 k = 0.1938-0.0177-0.2116 ( 9524 PWs) bands (ev): -41.9599 -41.9599 -41.4176 -41.4176 -41.3451 -41.3451 -41.3296 -41.3296 -18.1422 -18.1422 -13.8686 -13.8685 -13.8304 -13.8303 -13.4008 -13.4008 -4.2732 -4.2732 -2.2554 -2.2512 -2.1452 -2.1440 -2.0264 -2.0215 0.7430 0.7442 0.8087 0.8100 2.3943 2.4034 2.5028 2.5108 2.6401 2.6472 3.5386 3.5478 3.8422 3.8534 3.9662 3.9752 7.4195 7.4216 10.1012 10.1018 11.3373 11.3390 11.5028 11.5053 k = 0.2031-0.0186-0.2217 ( 9526 PWs) bands (ev): -41.9598 -41.9598 -41.4184 -41.4184 -41.3452 -41.3452 -41.3289 -41.3289 -18.1393 -18.1393 -13.8723 -13.8723 -13.8316 -13.8315 -13.4037 -13.4036 -4.2554 -4.2553 -2.2670 -2.2626 -2.1585 -2.1579 -2.0288 -2.0239 0.7551 0.7564 0.8257 0.8270 2.3622 2.3705 2.4967 2.5033 2.6306 2.6377 3.5370 3.5461 3.8602 3.8719 3.9784 3.9877 7.4201 7.4223 10.1188 10.1194 11.3697 11.3714 11.5384 11.5408 k = 0.2123-0.0194-0.2318 ( 9524 PWs) bands (ev): -41.9596 -41.9596 -41.4192 -41.4192 -41.3452 -41.3452 -41.3282 -41.3282 -18.1363 -18.1363 -13.8761 -13.8760 -13.8329 -13.8328 -13.4066 -13.4065 -4.2376 -4.2375 -2.2789 -2.2745 -2.1716 -2.1714 -2.0313 -2.0264 0.7678 0.7691 0.8431 0.8445 2.3292 2.3371 2.4903 2.4960 2.6217 2.6289 3.5360 3.5450 3.8782 3.8905 3.9911 4.0008 7.4179 7.4201 10.1419 10.1425 11.4008 11.4025 11.5747 11.5771 k = 0.2215-0.0202-0.2418 ( 9524 PWs) bands (ev): -41.9595 -41.9595 -41.4199 -41.4199 -41.3453 -41.3453 -41.3276 -41.3276 -18.1333 -18.1333 -13.8798 -13.8797 -13.8342 -13.8342 -13.4095 -13.4095 -4.2200 -4.2199 -2.2914 -2.2868 -2.1845 -2.1840 -2.0340 -2.0291 0.7809 0.7823 0.8609 0.8623 2.2956 2.3032 2.4836 2.4888 2.6135 2.6207 3.5358 3.5447 3.8960 3.9087 4.0046 4.0146 7.4131 7.4153 10.1701 10.1708 11.4304 11.4321 11.6118 11.6142 k = 0.2307-0.0211-0.2519 ( 9504 PWs) bands (ev): -41.9593 -41.9593 -41.4205 -41.4205 -41.3453 -41.3453 -41.3270 -41.3270 -18.1303 -18.1303 -13.8835 -13.8834 -13.8356 -13.8356 -13.4124 -13.4124 -4.2027 -4.2026 -2.3045 -2.2998 -2.1968 -2.1958 -2.0367 -2.0318 0.7946 0.7961 0.8791 0.8805 2.2617 2.2691 2.4764 2.4814 2.6059 2.6131 3.5364 3.5452 3.9132 3.9262 4.0191 4.0294 7.4059 7.4081 10.2032 10.2040 11.4580 11.4597 11.6498 11.6522 k = 0.2400-0.0219-0.2620 ( 9518 PWs) bands (ev): -41.9592 -41.9592 -41.4211 -41.4211 -41.3454 -41.3454 -41.3266 -41.3266 -18.1272 -18.1272 -13.8871 -13.8870 -13.8371 -13.8371 -13.4153 -13.4153 -4.1858 -4.1857 -2.3183 -2.3134 -2.2081 -2.2066 -2.0396 -2.0346 0.8087 0.8102 0.8976 0.8990 2.2276 2.2349 2.4689 2.4737 2.5990 2.6062 3.5377 3.5463 3.9294 3.9425 4.0351 4.0453 7.3965 7.3987 10.2407 10.2415 11.4833 11.4851 11.6887 11.6910 k = 0.2492-0.0228-0.2721 ( 9524 PWs) bands (ev): -41.9590 -41.9590 -41.4216 -41.4216 -41.3455 -41.3455 -41.3261 -41.3261 -18.1241 -18.1241 -13.8907 -13.8906 -13.8387 -13.8386 -13.4183 -13.4183 -4.1693 -4.1692 -2.3326 -2.3277 -2.2183 -2.2164 -2.0425 -2.0376 0.8233 0.8249 0.9164 0.9177 2.1936 2.2008 2.4610 2.4657 2.5927 2.5999 3.5398 3.5483 3.9445 3.9574 4.0526 4.0625 7.3853 7.3875 10.2820 10.2830 11.5061 11.5079 11.7283 11.7307 k = 0.2584-0.0236-0.2822 ( 9522 PWs) bands (ev): -41.9589 -41.9589 -41.4220 -41.4220 -41.3455 -41.3455 -41.3257 -41.3257 -18.1210 -18.1210 -13.8942 -13.8941 -13.8403 -13.8402 -13.4212 -13.4212 -4.1533 -4.1532 -2.3475 -2.3425 -2.2274 -2.2251 -2.0456 -2.0406 0.8383 0.8399 0.9354 0.9367 2.1597 2.1668 2.4527 2.4574 2.5870 2.5941 3.5428 3.5511 3.9583 3.9706 4.0719 4.0811 7.3726 7.3748 10.3268 10.3278 11.5261 11.5279 11.7686 11.7710 k = 0.2677-0.0245-0.2922 ( 9526 PWs) bands (ev): -41.9588 -41.9588 -41.4224 -41.4224 -41.3456 -41.3456 -41.3254 -41.3254 -18.1179 -18.1179 -13.8977 -13.8976 -13.8420 -13.8419 -13.4240 -13.4240 -4.1380 -4.1378 -2.3629 -2.3580 -2.2354 -2.2328 -2.0487 -2.0437 0.8538 0.8554 0.9545 0.9557 2.1261 2.1330 2.4440 2.4487 2.5817 2.5889 3.5465 3.5547 3.9707 3.9823 4.0926 4.1011 7.3586 7.3607 10.3743 10.3754 11.5431 11.5450 11.8094 11.8118 k = 0.2769-0.0253-0.3023 ( 9522 PWs) bands (ev): -41.9587 -41.9587 -41.4227 -41.4227 -41.3457 -41.3457 -41.3251 -41.3251 -18.1149 -18.1149 -13.9010 -13.9009 -13.8437 -13.8436 -13.4269 -13.4269 -4.1233 -4.1231 -2.3786 -2.3738 -2.2422 -2.2394 -2.0519 -2.0469 0.8696 0.8713 0.9737 0.9749 2.0927 2.0995 2.4350 2.4397 2.5769 2.5840 3.5511 3.5592 3.9817 3.9926 4.1146 4.1222 7.3436 7.3457 10.4243 10.4255 11.5570 11.5589 11.8506 11.8530 k = 0.2861-0.0262-0.3124 ( 9528 PWs) bands (ev): -41.9586 -41.9586 -41.4229 -41.4229 -41.3458 -41.3458 -41.3248 -41.3248 -18.1118 -18.1118 -13.9042 -13.9042 -13.8454 -13.8454 -13.4297 -13.4297 -4.1093 -4.1091 -2.3945 -2.3898 -2.2481 -2.2450 -2.0552 -2.0503 0.8859 0.8876 0.9930 0.9941 2.0598 2.0664 2.4257 2.4305 2.5725 2.5795 3.5565 3.5645 3.9916 4.0017 4.1374 4.1442 7.3278 7.3299 10.4760 10.4773 11.5677 11.5697 11.8918 11.8943 k = 0.2954-0.0270-0.3225 ( 9528 PWs) bands (ev): -41.9585 -41.9585 -41.4231 -41.4231 -41.3459 -41.3459 -41.3246 -41.3246 -18.1088 -18.1088 -13.9074 -13.9073 -13.8472 -13.8471 -13.4324 -13.4324 -4.0961 -4.0959 -2.4104 -2.4058 -2.2529 -2.2498 -2.0586 -2.0537 0.9026 0.9042 1.0123 1.0132 2.0272 2.0338 2.4163 2.4210 2.5684 2.5753 3.5628 3.5706 4.0005 4.0098 4.1609 4.1669 7.3116 7.3137 10.5290 10.5304 11.5753 11.5773 11.9329 11.9354 k = 0.3046-0.0278-0.3325 ( 9524 PWs) bands (ev): -41.9584 -41.9584 -41.4232 -41.4232 -41.3460 -41.3460 -41.3245 -41.3245 -18.1059 -18.1059 -13.9104 -13.9103 -13.8490 -13.8489 -13.4351 -13.4351 -4.0836 -4.0834 -2.4262 -2.4218 -2.2569 -2.2537 -2.0621 -2.0572 0.9196 0.9212 1.0316 1.0323 1.9952 2.0016 2.4067 2.4114 2.5645 2.5713 3.5699 3.5776 4.0084 4.0171 4.1848 4.1901 7.2951 7.2972 10.5827 10.5842 11.5797 11.5818 11.9736 11.9762 k = 0.3138-0.0287-0.3426 ( 9524 PWs) bands (ev): -41.9583 -41.9583 -41.4233 -41.4233 -41.3461 -41.3461 -41.3244 -41.3244 -18.1030 -18.1030 -13.9133 -13.9132 -13.8508 -13.8507 -13.4377 -13.4377 -4.0720 -4.0718 -2.4418 -2.4375 -2.2602 -2.2568 -2.0657 -2.0607 0.9369 0.9385 1.0507 1.0513 1.9636 1.9699 2.3970 2.4016 2.5607 2.5674 3.5779 3.5853 4.0155 4.0236 4.2088 4.2135 7.2785 7.2805 10.6364 10.6380 11.5813 11.5835 12.0136 12.0162 k = 0.3230-0.0295-0.3527 ( 9526 PWs) bands (ev): -41.9583 -41.9583 -41.4233 -41.4233 -41.3462 -41.3462 -41.3243 -41.3243 -18.1002 -18.1002 -13.9160 -13.9160 -13.8526 -13.8526 -13.4403 -13.4402 -4.0612 -4.0610 -2.4570 -2.4529 -2.2626 -2.2592 -2.0693 -2.0644 0.9545 0.9560 1.0696 1.0702 1.9326 1.9388 2.3872 2.3918 2.5571 2.5637 3.5866 3.5938 4.0219 4.0295 4.2328 4.2369 7.2620 7.2640 10.6896 10.6913 11.5803 11.5826 12.0524 12.0552 k = 0.3323-0.0304-0.3628 ( 9530 PWs) bands (ev): -41.9582 -41.9582 -41.4233 -41.4233 -41.3463 -41.3463 -41.3242 -41.3242 -18.0974 -18.0974 -13.9186 -13.9186 -13.8544 -13.8544 -13.4427 -13.4427 -4.0512 -4.0510 -2.4717 -2.4678 -2.2645 -2.2610 -2.0730 -2.0681 0.9723 0.9737 1.0883 1.0888 1.9022 1.9083 2.3774 2.3819 2.5536 2.5600 3.5960 3.6031 4.0277 4.0348 4.2566 4.2602 7.2457 7.2477 10.7415 10.7433 11.5774 11.5799 12.0898 12.0927 k = 0.3415-0.0312-0.3728 ( 9542 PWs) bands (ev): -41.9582 -41.9582 -41.4232 -41.4232 -41.3464 -41.3464 -41.3242 -41.3242 -18.0948 -18.0948 -13.9211 -13.9210 -13.8562 -13.8562 -13.4451 -13.4451 -4.0421 -4.0419 -2.4859 -2.4822 -2.2657 -2.2623 -2.0767 -2.0718 0.9904 0.9917 1.1066 1.1073 1.8723 1.8783 2.3677 2.3721 2.5501 2.5563 3.6061 3.6130 4.0329 4.0396 4.2799 4.2832 7.2298 7.2317 10.7912 10.7932 11.5735 11.5761 12.1252 12.1283 k = 0.3507-0.0321-0.3829 ( 9540 PWs) bands (ev): -41.9582 -41.9582 -41.4231 -41.4231 -41.3465 -41.3465 -41.3243 -41.3243 -18.0922 -18.0922 -13.9234 -13.9234 -13.8580 -13.8579 -13.4474 -13.4474 -4.0338 -4.0336 -2.4994 -2.4960 -2.2664 -2.2630 -2.0804 -2.0756 1.0087 1.0098 1.1246 1.1255 1.8430 1.8490 2.3580 2.3623 2.5467 2.5527 3.6168 3.6235 4.0376 4.0439 4.3028 4.3057 7.2144 7.2162 10.8379 10.8400 11.5694 11.5722 12.1582 12.1615 k = 0.3600-0.0329-0.3930 ( 9542 PWs) bands (ev): -41.9581 -41.9581 -41.4229 -41.4229 -41.3466 -41.3466 -41.3243 -41.3243 -18.0897 -18.0897 -13.9256 -13.9255 -13.8597 -13.8596 -13.4496 -13.4496 -4.0263 -4.0261 -2.5123 -2.5091 -2.2666 -2.2632 -2.0842 -2.0795 1.0271 1.0279 1.1421 1.1434 1.8144 1.8202 2.3485 2.3527 2.5433 2.5490 3.6281 3.6345 4.0418 4.0477 4.3250 4.3275 7.1995 7.2013 10.8804 10.8826 11.5667 11.5696 12.1882 12.1916 k = 0.3692-0.0337-0.4031 ( 9540 PWs) bands (ev): -41.9581 -41.9581 -41.4227 -41.4227 -41.3467 -41.3467 -41.3244 -41.3244 -18.0874 -18.0874 -13.9276 -13.9276 -13.8614 -13.8613 -13.4517 -13.4516 -4.0195 -4.0193 -2.5244 -2.5214 -2.2664 -2.2630 -2.0879 -2.0833 1.0455 1.0461 1.1591 1.1610 1.7863 1.7922 2.3392 2.3432 2.5400 2.5454 3.6397 3.6458 4.0456 4.0511 4.3464 4.3487 7.1853 7.1870 10.9176 10.9199 11.5667 11.5698 12.2146 12.2182 k = 0.3784-0.0346-0.4131 ( 9544 PWs) bands (ev): -41.9581 -41.9581 -41.4225 -41.4225 -41.3469 -41.3469 -41.3245 -41.3245 -18.0852 -18.0852 -13.9295 -13.9294 -13.8630 -13.8629 -13.4536 -13.4536 -4.0135 -4.0133 -2.5358 -2.5330 -2.2658 -2.2625 -2.0916 -2.0871 1.0639 1.0643 1.1757 1.1781 1.7589 1.7647 2.3301 2.3340 2.5367 2.5418 3.6515 3.6574 4.0489 4.0542 4.3669 4.3689 7.1717 7.1734 10.9483 10.9506 11.5709 11.5742 12.2367 12.2406 k = 0.3877-0.0354-0.4232 ( 9540 PWs) bands (ev): -41.9581 -41.9581 -41.4223 -41.4223 -41.3470 -41.3470 -41.3246 -41.3246 -18.0831 -18.0831 -13.9312 -13.9312 -13.8645 -13.8645 -13.4555 -13.4555 -4.0082 -4.0080 -2.5464 -2.5438 -2.2649 -2.2616 -2.0953 -2.0909 1.0821 1.0824 1.1918 1.1948 1.7321 1.7380 2.3213 2.3251 2.5335 2.5383 3.6635 3.6691 4.0519 4.0568 4.3864 4.3882 7.1589 7.1605 10.9718 10.9741 11.5808 11.5842 12.2539 12.2580 k = 0.3969-0.0363-0.4333 ( 9522 PWs) bands (ev): -41.9581 -41.9581 -41.4221 -41.4221 -41.3471 -41.3471 -41.3247 -41.3247 -18.0811 -18.0811 -13.9328 -13.9328 -13.8660 -13.8659 -13.4572 -13.4572 -4.0036 -4.0034 -2.5561 -2.5538 -2.2638 -2.2606 -2.0989 -2.0947 1.0999 1.1005 1.2074 1.2110 1.7060 1.7119 2.3129 2.3165 2.5303 2.5348 3.6755 3.6808 4.0545 4.0590 4.4048 4.4064 7.1470 7.1485 10.9876 10.9898 11.5971 11.6006 12.2657 12.2701 k = 0.4061-0.0371-0.4434 ( 9518 PWs) bands (ev): -41.9581 -41.9581 -41.4218 -41.4218 -41.3472 -41.3472 -41.3248 -41.3248 -18.0793 -18.0793 -13.9342 -13.9342 -13.8674 -13.8673 -13.4588 -13.4588 -3.9995 -3.9994 -2.5650 -2.5629 -2.2624 -2.2593 -2.1023 -2.0984 1.1173 1.1182 1.2224 1.2267 1.6807 1.6865 2.3050 2.3083 2.5273 2.5315 3.6873 3.6923 4.0567 4.0609 4.4220 4.4234 7.1359 7.1373 10.9961 10.9982 11.6199 11.6235 12.2717 12.2762 k = 0.4153-0.0380-0.4535 ( 9512 PWs) bands (ev): -41.9580 -41.9580 -41.4216 -41.4216 -41.3473 -41.3473 -41.3249 -41.3249 -18.0776 -18.0776 -13.9355 -13.9355 -13.8686 -13.8686 -13.4603 -13.4603 -3.9961 -3.9959 -2.5731 -2.5712 -2.2609 -2.2579 -2.1057 -2.1019 1.1341 1.1354 1.2369 1.2420 1.6560 1.6620 2.2975 2.3005 2.5245 2.5283 3.6988 3.7034 4.0586 4.0625 4.4378 4.4391 7.1257 7.1270 10.9984 11.0003 11.6488 11.6524 12.2716 12.2764 k = 0.4246-0.0388-0.4635 ( 9524 PWs) bands (ev): -41.9581 -41.9581 -41.4213 -41.4213 -41.3474 -41.3474 -41.3250 -41.3250 -18.0761 -18.0761 -13.9367 -13.9366 -13.8698 -13.8698 -13.4616 -13.4616 -3.9931 -3.9930 -2.5803 -2.5786 -2.2593 -2.2565 -2.1088 -2.1053 1.1501 1.1519 1.2510 1.2568 1.6322 1.6382 2.2906 2.2934 2.5218 2.5252 3.7097 3.7139 4.0602 4.0638 4.4523 4.4534 7.1165 7.1176 10.9957 10.9974 11.6826 11.6863 12.2656 12.2704 k = 0.4338-0.0397-0.4736 ( 9534 PWs) bands (ev): -41.9581 -41.9581 -41.4211 -41.4211 -41.3475 -41.3475 -41.3252 -41.3252 -18.0748 -18.0748 -13.9377 -13.9376 -13.8709 -13.8708 -13.4628 -13.4628 -3.9906 -3.9905 -2.5867 -2.5852 -2.2576 -2.2550 -2.1117 -2.1085 1.1652 1.1673 1.2647 1.2711 1.6094 1.6154 2.2843 2.2868 2.5194 2.5224 3.7200 3.7238 4.0616 4.0648 4.4654 4.4663 7.1082 7.1092 10.9896 10.9911 11.7203 11.7240 12.2538 12.2587 k = 0.4430-0.0405-0.4837 ( 9536 PWs) bands (ev): -41.9581 -41.9581 -41.4209 -41.4209 -41.3476 -41.3476 -41.3253 -41.3253 -18.0736 -18.0736 -13.9385 -13.9385 -13.8718 -13.8718 -13.4639 -13.4639 -3.9886 -3.9884 -2.5922 -2.5909 -2.2559 -2.2536 -2.1143 -2.1114 1.1790 1.1815 1.2781 1.2849 1.5877 1.5936 2.2786 2.2809 2.5172 2.5198 3.7293 3.7327 4.0627 4.0655 4.4768 4.4776 7.1010 7.1019 10.9816 10.9828 11.7606 11.7643 12.2368 12.2416 k = 0.4523-0.0413-0.4938 ( 9532 PWs) bands (ev): -41.9581 -41.9581 -41.4207 -41.4207 -41.3477 -41.3477 -41.3254 -41.3254 -18.0726 -18.0726 -13.9393 -13.9392 -13.8726 -13.8726 -13.4648 -13.4647 -3.9869 -3.9868 -2.5969 -2.5958 -2.2544 -2.2524 -2.1166 -2.1141 1.1914 1.1940 1.2910 1.2980 1.5675 1.5732 2.2738 2.2757 2.5153 2.5176 3.7377 3.7406 4.0636 4.0661 4.4867 4.4874 7.0948 7.0955 10.9728 10.9738 11.8026 11.8063 12.2150 12.2198 k = 0.4615-0.0422-0.5038 ( 9548 PWs) bands (ev): -41.9581 -41.9581 -41.4206 -41.4206 -41.3478 -41.3478 -41.3254 -41.3254 -18.0717 -18.0717 -13.9399 -13.9398 -13.8733 -13.8733 -13.4655 -13.4655 -3.9855 -3.9855 -2.6007 -2.5998 -2.2529 -2.2512 -2.1185 -2.1164 1.2021 1.2045 1.3035 1.3103 1.5490 1.5544 2.2697 2.2713 2.5138 2.5156 3.7449 3.7473 4.0644 4.0664 4.4950 4.4955 7.0896 7.0902 10.9642 10.9651 11.8451 11.8488 12.1894 12.1940 k = 0.5385 0.4142-0.0841 ( 9548 PWs) bands (ev): -41.9581 -41.9581 -41.4206 -41.4206 -41.3478 -41.3478 -41.3254 -41.3254 -18.0717 -18.0717 -13.9399 -13.9398 -13.8733 -13.8733 -13.4655 -13.4655 -3.9855 -3.9855 -2.6007 -2.5998 -2.2529 -2.2512 -2.1185 -2.1164 1.2021 1.2045 1.3035 1.3103 1.5490 1.5544 2.2697 2.2713 2.5138 2.5156 3.7449 3.7473 4.0644 4.0664 4.4950 4.4955 7.0896 7.0902 10.9642 10.9651 11.8451 11.8488 12.1894 12.1940 k = 0.5308 0.4226-0.0841 ( 9544 PWs) bands (ev): -41.9581 -41.9581 -41.4205 -41.4205 -41.3478 -41.3478 -41.3255 -41.3255 -18.0712 -18.0712 -13.9403 -13.9402 -13.8737 -13.8737 -13.4660 -13.4660 -3.9847 -3.9846 -2.6032 -2.6025 -2.2519 -2.2505 -2.1198 -2.1181 1.2095 1.2117 1.3132 1.3195 1.5355 1.5404 2.2670 2.2682 2.5128 2.5142 3.7499 3.7518 4.0649 4.0665 4.5005 4.5010 7.0862 7.0867 10.9579 10.9586 11.8803 11.8840 12.1656 12.1700 k = 0.5231 0.4311-0.0841 ( 9534 PWs) bands (ev): -41.9581 -41.9581 -41.4204 -41.4204 -41.3479 -41.3479 -41.3255 -41.3255 -18.0707 -18.0707 -13.9406 -13.9406 -13.8741 -13.8741 -13.4664 -13.4664 -3.9840 -3.9840 -2.6052 -2.6047 -2.2510 -2.2499 -2.1208 -2.1195 1.2155 1.2173 1.3220 1.3274 1.5242 1.5283 2.2649 2.2658 2.5120 2.5131 3.7539 3.7554 4.0654 4.0666 4.5049 4.5052 7.0835 7.0839 10.9527 10.9531 11.9143 11.9179 12.1405 12.1447 k = 0.5154 0.4395-0.0841 ( 9530 PWs) bands (ev): -41.9581 -41.9581 -41.4203 -41.4203 -41.3479 -41.3479 -41.3256 -41.3256 -18.0704 -18.0704 -13.9408 -13.9408 -13.8743 -13.8743 -13.4667 -13.4667 -3.9836 -3.9835 -2.6065 -2.6062 -2.2503 -2.2495 -2.1214 -2.1205 1.2199 1.2212 1.3294 1.3333 1.5156 1.5187 2.2634 2.2640 2.5115 2.5122 3.7569 3.7579 4.0657 4.0665 4.5081 4.5083 7.0816 7.0818 10.9488 10.9491 11.9458 11.9491 12.1156 12.1193 k = 0.5077 0.4479-0.0841 ( 9524 PWs) bands (ev): -41.9581 -41.9581 -41.4203 -41.4203 -41.3479 -41.3479 -41.3256 -41.3256 -18.0702 -18.0702 -13.9409 -13.9409 -13.8745 -13.8745 -13.4668 -13.4668 -3.9833 -3.9833 -2.6073 -2.6072 -2.2497 -2.2494 -2.1217 -2.1213 1.2227 1.2234 1.3346 1.3367 1.5105 1.5122 2.2626 2.2629 2.5112 2.5116 3.7588 3.7593 4.0660 4.0664 4.5100 4.5101 7.0804 7.0806 10.9464 10.9465 11.9716 11.9739 12.0947 12.0972 k = 0.5000 0.4564-0.0841 ( 9522 PWs) bands (ev): -41.9581 -41.9581 -41.4203 -41.4203 -41.3479 -41.3479 -41.3256 -41.3256 -18.0702 -18.0702 -13.9410 -13.9410 -13.8745 -13.8745 -13.4669 -13.4669 -3.9832 -3.9832 -2.6075 -2.6075 -2.2494 -2.2494 -2.1217 -2.1217 1.2239 1.2239 1.3372 1.3372 1.5093 1.5093 2.2624 2.2624 2.5113 2.5113 3.7596 3.7596 4.0662 4.0662 4.5106 4.5106 7.0801 7.0801 10.9456 10.9456 11.9836 11.9836 12.0863 12.0863 k = 0.5000 0.4564-0.0841 ( 9522 PWs) bands (ev): -41.9581 -41.9581 -41.4203 -41.4203 -41.3479 -41.3479 -41.3256 -41.3256 -18.0702 -18.0702 -13.9410 -13.9410 -13.8745 -13.8745 -13.4669 -13.4669 -3.9832 -3.9832 -2.6075 -2.6075 -2.2494 -2.2494 -2.1217 -2.1217 1.2239 1.2239 1.3372 1.3372 1.5093 1.5093 2.2624 2.2624 2.5113 2.5113 3.7596 3.7596 4.0662 4.0662 4.5106 4.5106 7.0801 7.0801 10.9456 10.9456 11.9836 11.9836 12.0863 12.0863 k = 0.5012 0.4575-0.0705 ( 9528 PWs) bands (ev): -41.9581 -41.9581 -41.4202 -41.4202 -41.3479 -41.3479 -41.3256 -41.3256 -18.0701 -18.0701 -13.9409 -13.9409 -13.8746 -13.8746 -13.4671 -13.4671 -3.9831 -3.9831 -2.6071 -2.6071 -2.2498 -2.2497 -2.1222 -2.1222 1.2229 1.2234 1.3379 1.3385 1.5096 1.5096 2.2626 2.2626 2.5113 2.5114 3.7603 3.7604 4.0666 4.0667 4.5103 4.5104 7.0788 7.0788 10.9469 10.9469 11.9836 11.9839 12.0852 12.0852 k = 0.5025 0.4586-0.0570 ( 9530 PWs) bands (ev): -41.9581 -41.9581 -41.4201 -41.4201 -41.3479 -41.3479 -41.3257 -41.3257 -18.0697 -18.0697 -13.9409 -13.9409 -13.8749 -13.8749 -13.4677 -13.4677 -3.9830 -3.9830 -2.6058 -2.6058 -2.2507 -2.2507 -2.1238 -2.1238 1.2204 1.2214 1.3406 1.3417 1.5105 1.5105 2.2632 2.2632 2.5116 2.5118 3.7623 3.7626 4.0678 4.0681 4.5093 4.5095 7.0748 7.0749 10.9507 10.9507 11.9839 11.9844 12.0816 12.0817 k = 0.5037 0.4598-0.0434 ( 9532 PWs) bands (ev): -41.9581 -41.9581 -41.4200 -41.4200 -41.3479 -41.3479 -41.3258 -41.3258 -18.0692 -18.0692 -13.9407 -13.9407 -13.8752 -13.8752 -13.4688 -13.4688 -3.9827 -3.9827 -2.6037 -2.6036 -2.2523 -2.2522 -2.1264 -2.1264 1.2168 1.2182 1.3451 1.3467 1.5119 1.5119 2.2641 2.2642 2.5120 2.5124 3.7656 3.7661 4.0698 4.0702 4.5077 4.5081 7.0683 7.0683 10.9570 10.9571 11.9845 11.9852 12.0758 12.0759 k = 0.5050 0.4609-0.0299 ( 9538 PWs) bands (ev): -41.9581 -41.9581 -41.4198 -41.4198 -41.3479 -41.3479 -41.3260 -41.3260 -18.0685 -18.0685 -13.9406 -13.9406 -13.8758 -13.8758 -13.4702 -13.4702 -3.9823 -3.9823 -2.6007 -2.6006 -2.2545 -2.2544 -2.1300 -2.1300 1.2122 1.2140 1.3510 1.3531 1.5139 1.5139 2.2655 2.2656 2.5126 2.5131 3.7703 3.7709 4.0727 4.0733 4.5056 4.5060 7.0592 7.0593 10.9658 10.9659 11.9855 11.9863 12.0677 12.0678 k = 0.5062 0.4621-0.0164 ( 9528 PWs) bands (ev): -41.9581 -41.9581 -41.4196 -41.4196 -41.3479 -41.3479 -41.3262 -41.3262 -18.0676 -18.0676 -13.9403 -13.9403 -13.8765 -13.8765 -13.4721 -13.4721 -3.9818 -3.9818 -2.5969 -2.5969 -2.2572 -2.2571 -2.1346 -2.1346 1.2070 1.2092 1.3582 1.3607 1.5164 1.5164 2.2672 2.2673 2.5133 2.5139 3.7764 3.7771 4.0765 4.0771 4.5028 4.5034 7.0477 7.0478 10.9768 10.9770 11.9868 11.9879 12.0574 12.0575 k = 0.5075 0.4632-0.0028 ( 9530 PWs) bands (ev): -41.9582 -41.9582 -41.4193 -41.4193 -41.3479 -41.3479 -41.3265 -41.3265 -18.0665 -18.0665 -13.9401 -13.9401 -13.8773 -13.8773 -13.4743 -13.4743 -3.9813 -3.9812 -2.5924 -2.5923 -2.2605 -2.2604 -2.1401 -2.1401 1.2014 1.2039 1.3664 1.3692 1.5194 1.5194 2.2693 2.2694 2.5140 2.5147 3.7837 3.7845 4.0810 4.0818 4.4996 4.5003 7.0339 7.0340 10.9901 10.9902 11.9886 11.9898 12.0449 12.0450 k = 0.5087 0.4643 0.0107 ( 9529 PWs) bands (ev): -41.9582 -41.9582 -41.4189 -41.4189 -41.3479 -41.3479 -41.3268 -41.3268 -18.0653 -18.0653 -13.9398 -13.9398 -13.8783 -13.8783 -13.4769 -13.4768 -3.9806 -3.9806 -2.5872 -2.5870 -2.2643 -2.2642 -2.1466 -2.1466 1.1957 1.1983 1.3755 1.3785 1.5228 1.5229 2.2717 2.2718 2.5147 2.5156 3.7922 3.7932 4.0865 4.0873 4.4958 4.4966 7.0178 7.0180 11.0054 11.0055 11.9909 11.9923 12.0303 12.0305 k = 0.5099 0.4655 0.0243 ( 9530 PWs) bands (ev): -41.9582 -41.9582 -41.4185 -41.4185 -41.3479 -41.3479 -41.3272 -41.3272 -18.0638 -18.0638 -13.9394 -13.9394 -13.8795 -13.8794 -13.4797 -13.4797 -3.9799 -3.9798 -2.5812 -2.5811 -2.2686 -2.2685 -2.1539 -2.1538 1.1899 1.1928 1.3852 1.3885 1.5267 1.5268 2.2744 2.2746 2.5153 2.5163 3.8019 3.8030 4.0927 4.0937 4.4915 4.4924 6.9998 7.0000 11.0225 11.0227 11.9937 11.9954 12.0137 12.0141 k = 0.5112 0.4666 0.0378 ( 9536 PWs) bands (ev): -41.9583 -41.9583 -41.4180 -41.4180 -41.3479 -41.3479 -41.3276 -41.3276 -18.0622 -18.0622 -13.9390 -13.9390 -13.8807 -13.8807 -13.4829 -13.4829 -3.9790 -3.9790 -2.5747 -2.5746 -2.2734 -2.2732 -2.1619 -2.1619 1.1843 1.1873 1.3954 1.3991 1.5310 1.5311 2.2775 2.2777 2.5158 2.5168 3.8126 3.8139 4.0998 4.1009 4.4868 4.4878 6.9799 6.9801 11.0412 11.0414 11.9939 11.9949 11.9990 11.9995 k = 0.5124 0.4677 0.0513 ( 9541 PWs) bands (ev): -41.9583 -41.9583 -41.4175 -41.4175 -41.3479 -41.3479 -41.3281 -41.3281 -18.0605 -18.0605 -13.9386 -13.9386 -13.8822 -13.8821 -13.4864 -13.4864 -3.9782 -3.9781 -2.5676 -2.5675 -2.2785 -2.2783 -2.1706 -2.1706 1.1788 1.1821 1.4062 1.4101 1.5357 1.5357 2.2808 2.2811 2.5159 2.5170 3.8244 3.8259 4.1078 4.1089 4.4817 4.4829 6.9583 6.9586 11.0614 11.0616 11.9749 11.9749 12.0021 12.0037 k = 0.5137 0.4689 0.0649 ( 9533 PWs) bands (ev): -41.9583 -41.9583 -41.4170 -41.4170 -41.3479 -41.3479 -41.3286 -41.3286 -18.0586 -18.0586 -13.9381 -13.9381 -13.8837 -13.8837 -13.4901 -13.4900 -3.9772 -3.9772 -2.5601 -2.5599 -2.2840 -2.2838 -2.1800 -2.1800 1.1737 1.1771 1.4174 1.4215 1.5406 1.5406 2.2845 2.2847 2.5157 2.5169 3.8371 3.8387 4.1165 4.1177 4.4763 4.4775 6.9352 6.9355 11.0826 11.0829 11.9531 11.9532 12.0072 12.0089 k = 0.5149 0.4700 0.0784 ( 9534 PWs) bands (ev): -41.9584 -41.9584 -41.4164 -41.4164 -41.3479 -41.3479 -41.3292 -41.3292 -18.0566 -18.0566 -13.9376 -13.9376 -13.8854 -13.8854 -13.4939 -13.4939 -3.9763 -3.9763 -2.5521 -2.5520 -2.2898 -2.2896 -2.1900 -2.1900 1.1690 1.1726 1.4289 1.4333 1.5458 1.5459 2.2883 2.2886 2.5151 2.5164 3.8507 3.8524 4.1260 4.1273 4.4705 4.4719 6.9109 6.9112 11.1047 11.1050 11.9297 11.9299 12.0131 12.0149 k = 0.5161 0.4711 0.0920 ( 9535 PWs) bands (ev): -41.9584 -41.9584 -41.4157 -41.4157 -41.3479 -41.3479 -41.3298 -41.3298 -18.0545 -18.0545 -13.9371 -13.9371 -13.8872 -13.8872 -13.4980 -13.4980 -3.9753 -3.9753 -2.5439 -2.5437 -2.2958 -2.2956 -2.2004 -2.2004 1.1647 1.1685 1.4408 1.4455 1.5512 1.5513 2.2924 2.2927 2.5139 2.5153 3.8650 3.8669 4.1363 4.1377 4.4646 4.4661 6.8854 6.8858 11.1274 11.1277 11.9050 11.9052 12.0198 12.0217 k = 0.5174 0.4723 0.1055 ( 9536 PWs) bands (ev): -41.9585 -41.9585 -41.4150 -41.4150 -41.3479 -41.3479 -41.3304 -41.3304 -18.0523 -18.0523 -13.9365 -13.9365 -13.8892 -13.8891 -13.5022 -13.5021 -3.9743 -3.9743 -2.5353 -2.5351 -2.3020 -2.3018 -2.2112 -2.2112 1.1610 1.1649 1.4530 1.4579 1.5568 1.5569 2.2966 2.2969 2.5121 2.5135 3.8799 3.8819 4.1474 4.1487 4.4584 4.4600 6.8591 6.8595 11.1504 11.1508 11.8792 11.8794 12.0272 12.0292 k = 0.5186 0.4734 0.1190 ( 9533 PWs) bands (ev): -41.9585 -41.9585 -41.4143 -41.4143 -41.3479 -41.3479 -41.3311 -41.3311 -18.0500 -18.0500 -13.9360 -13.9360 -13.8912 -13.8912 -13.5064 -13.5064 -3.9733 -3.9733 -2.5266 -2.5264 -2.3083 -2.3082 -2.2224 -2.2224 1.1579 1.1619 1.4654 1.4706 1.5625 1.5626 2.3010 2.3014 2.5096 2.5111 3.8953 3.8975 4.1591 4.1605 4.4522 4.4539 6.8321 6.8325 11.1734 11.1738 11.8524 11.8526 12.0352 12.0371 k = 0.5199 0.4745 0.1326 ( 9541 PWs) bands (ev): -41.9586 -41.9586 -41.4135 -41.4135 -41.3479 -41.3479 -41.3318 -41.3318 -18.0477 -18.0477 -13.9354 -13.9354 -13.8933 -13.8933 -13.5107 -13.5107 -3.9723 -3.9723 -2.5177 -2.5175 -2.3148 -2.3146 -2.2337 -2.2337 1.1553 1.1595 1.4781 1.4835 1.5682 1.5684 2.3056 2.3059 2.5064 2.5079 3.9111 3.9135 4.1715 4.1728 4.4459 4.4478 6.8047 6.8052 11.1961 11.1965 11.8248 11.8251 12.0433 12.0452 k = 0.5211 0.4757 0.1461 ( 9545 PWs) bands (ev): -41.9586 -41.9586 -41.4127 -41.4127 -41.3479 -41.3479 -41.3325 -41.3325 -18.0453 -18.0453 -13.9348 -13.9348 -13.8956 -13.8955 -13.5150 -13.5150 -3.9714 -3.9713 -2.5088 -2.5087 -2.3213 -2.3211 -2.2453 -2.2453 1.1535 1.1578 1.4909 1.4966 1.5740 1.5742 2.3102 2.3105 2.5023 2.5039 3.9272 3.9297 4.1844 4.1858 4.4397 4.4416 6.7771 6.7775 11.2182 11.2187 11.7967 11.7969 12.0510 12.0529 k = 0.5224 0.4768 0.1597 ( 9552 PWs) bands (ev): -41.9587 -41.9587 -41.4119 -41.4119 -41.3479 -41.3479 -41.3333 -41.3333 -18.0429 -18.0429 -13.9342 -13.9342 -13.8979 -13.8978 -13.5193 -13.5193 -3.9705 -3.9705 -2.5000 -2.4998 -2.3277 -2.3276 -2.2568 -2.2568 1.1523 1.1567 1.5038 1.5098 1.5797 1.5800 2.3148 2.3152 2.4975 2.4990 3.9434 3.9461 4.1978 4.1992 4.4336 4.4356 6.7494 6.7499 11.2396 11.2401 11.7681 11.7684 12.0574 12.0593 k = 0.5236 0.4779 0.1732 ( 9552 PWs) bands (ev): -41.9588 -41.9588 -41.4110 -41.4110 -41.3478 -41.3478 -41.3341 -41.3341 -18.0405 -18.0405 -13.9336 -13.9335 -13.9002 -13.9002 -13.5236 -13.5236 -3.9697 -3.9696 -2.4913 -2.4911 -2.3341 -2.3340 -2.2684 -2.2684 1.1518 1.1564 1.5169 1.5231 1.5854 1.5858 2.3195 2.3199 2.4917 2.4933 3.9597 3.9625 4.2117 4.2130 4.4277 4.4298 6.7219 6.7224 11.2599 11.2604 11.7393 11.7396 12.0613 12.0630 k = 0.5248 0.4791 0.1867 ( 9559 PWs) bands (ev): -41.9588 -41.9588 -41.4102 -41.4102 -41.3478 -41.3478 -41.3349 -41.3349 -18.0381 -18.0381 -13.9329 -13.9329 -13.9026 -13.9025 -13.5278 -13.5277 -3.9689 -3.9689 -2.4827 -2.4825 -2.3404 -2.3403 -2.2798 -2.2798 1.1521 1.1567 1.5300 1.5364 1.5910 1.5915 2.3241 2.3245 2.4851 2.4868 3.9758 3.9787 4.2259 4.2272 4.4221 4.4243 6.6948 6.6953 11.2790 11.2795 11.7106 11.7109 12.0608 12.0624 k = 0.5261 0.4802 0.2003 ( 9545 PWs) bands (ev): -41.9589 -41.9589 -41.4093 -41.4093 -41.3478 -41.3478 -41.3357 -41.3357 -18.0357 -18.0357 -13.9323 -13.9323 -13.9050 -13.9049 -13.5318 -13.5317 -3.9683 -3.9683 -2.4743 -2.4741 -2.3466 -2.3465 -2.2911 -2.2911 1.1530 1.1577 1.5430 1.5497 1.5964 1.5970 2.3287 2.3291 2.4777 2.4794 3.9916 3.9946 4.2403 4.2415 4.4168 4.4191 6.6682 6.6687 11.2967 11.2973 11.6820 11.6824 12.0545 12.0558 k = 0.5273 0.4813 0.2138 ( 9536 PWs) bands (ev): -41.9589 -41.9589 -41.4083 -41.4083 -41.3478 -41.3478 -41.3366 -41.3366 -18.0334 -18.0334 -13.9317 -13.9317 -13.9074 -13.9073 -13.5357 -13.5356 -3.9678 -3.9677 -2.4662 -2.4661 -2.3526 -2.3525 -2.3021 -2.3021 1.1547 1.1594 1.5559 1.5628 1.6017 1.6025 2.3332 2.3336 2.4695 2.4712 4.0071 4.0102 4.2548 4.2560 4.4119 4.4143 6.6423 6.6429 11.3129 11.3135 11.6539 11.6542 12.0416 12.0426 k = 0.5286 0.4825 0.2274 ( 9521 PWs) bands (ev): -41.9590 -41.9590 -41.4074 -41.4074 -41.3478 -41.3478 -41.3374 -41.3374 -18.0312 -18.0312 -13.9311 -13.9311 -13.9098 -13.9097 -13.5394 -13.5394 -3.9674 -3.9674 -2.4584 -2.4583 -2.3583 -2.3583 -2.3128 -2.3128 1.1571 1.1618 1.5685 1.5757 1.6069 1.6079 2.3375 2.3379 2.4606 2.4623 4.0220 4.0252 4.2693 4.2705 4.4076 4.4099 6.6174 6.6179 11.3274 11.3280 11.6263 11.6267 12.0229 12.0237 k = 0.5298 0.4836 0.2409 ( 9527 PWs) bands (ev): -41.9590 -41.9590 -41.4065 -41.4065 -41.3478 -41.3478 -41.3383 -41.3383 -18.0290 -18.0290 -13.9305 -13.9305 -13.9121 -13.9120 -13.5429 -13.5429 -3.9671 -3.9671 -2.4510 -2.4509 -2.3638 -2.3638 -2.3231 -2.3231 1.1601 1.1648 1.5807 1.5882 1.6120 1.6132 2.3416 2.3421 2.4510 2.4527 4.0362 4.0395 4.2837 4.2848 4.4038 4.4061 6.5935 6.5940 11.3403 11.3409 11.5995 11.5999 12.0002 12.0008 k = 0.5311 0.4847 0.2545 ( 9534 PWs) bands (ev): -41.9591 -41.9591 -41.4055 -41.4055 -41.3478 -41.3478 -41.3392 -41.3392 -18.0269 -18.0269 -13.9300 -13.9299 -13.9143 -13.9143 -13.5462 -13.5462 -3.9671 -3.9670 -2.4440 -2.4439 -2.3690 -2.3690 -2.3329 -2.3329 1.1637 1.1684 1.5921 1.5999 1.6172 1.6186 2.3456 2.3460 2.4409 2.4427 4.0497 4.0530 4.2978 4.2989 4.4006 4.4029 6.5708 6.5714 11.3515 11.3521 11.5737 11.5741 11.9758 11.9762 k = 0.5323 0.4859 0.2680 ( 9532 PWs) bands (ev): -41.9592 -41.9592 -41.4046 -41.4046 -41.3478 -41.3478 -41.3400 -41.3400 -18.0250 -18.0250 -13.9294 -13.9294 -13.9165 -13.9164 -13.5493 -13.5493 -3.9672 -3.9671 -2.4374 -2.4373 -2.3739 -2.3739 -2.3421 -2.3421 1.1679 1.1725 1.6025 1.6100 1.6231 1.6243 2.3493 2.3497 2.4305 2.4323 4.0624 4.0657 4.3116 4.3126 4.3981 4.4003 6.5495 6.5500 11.3609 11.3615 11.5490 11.5494 11.9510 11.9513 k = 0.5335 0.4870 0.2815 ( 9539 PWs) bands (ev): -41.9592 -41.9592 -41.4037 -41.4037 -41.3478 -41.3478 -41.3409 -41.3409 -18.0232 -18.0232 -13.9289 -13.9289 -13.9185 -13.9185 -13.5521 -13.5521 -3.9674 -3.9674 -2.4312 -2.4312 -2.3785 -2.3784 -2.3508 -2.3508 1.1727 1.1772 1.6111 1.6176 1.6306 1.6307 2.3527 2.3531 2.4200 2.4217 4.0741 4.0774 4.3248 4.3258 4.3962 4.3984 6.5296 6.5302 11.3688 11.3693 11.5255 11.5259 11.9273 11.9275 k = 0.5348 0.4881 0.2951 ( 9542 PWs) bands (ev): -41.9593 -41.9593 -41.4028 -41.4028 -41.3478 -41.3478 -41.3417 -41.3417 -18.0215 -18.0215 -13.9284 -13.9284 -13.9204 -13.9204 -13.5547 -13.5546 -3.9679 -3.9679 -2.4256 -2.4256 -2.3827 -2.3826 -2.3588 -2.3588 1.1779 1.1823 1.6179 1.6227 1.6380 1.6393 2.3558 2.3562 2.4094 2.4111 4.0849 4.0880 4.3373 4.3382 4.3951 4.3971 6.5114 6.5119 11.3750 11.3755 11.5035 11.5039 11.9052 11.9053 k = 0.5360 0.4893 0.3086 ( 9544 PWs) bands (ev): -41.9593 -41.9593 -41.4019 -41.4019 -41.3478 -41.3478 -41.3425 -41.3425 -18.0201 -18.0201 -13.9279 -13.9279 -13.9221 -13.9221 -13.5569 -13.5569 -3.9686 -3.9686 -2.4204 -2.4204 -2.3866 -2.3864 -2.3661 -2.3661 1.1836 1.1879 1.6228 1.6265 1.6456 1.6480 2.3585 2.3589 2.3991 2.4008 4.0946 4.0976 4.3489 4.3499 4.3947 4.3964 6.4949 6.4954 11.3797 11.3802 11.4831 11.4835 11.8854 11.8854 k = 0.5373 0.4904 0.3222 ( 9540 PWs) bands (ev): -41.9594 -41.9594 -41.4011 -41.4011 -41.3478 -41.3478 -41.3433 -41.3433 -18.0187 -18.0187 -13.9275 -13.9275 -13.9236 -13.9236 -13.5589 -13.5589 -3.9695 -3.9695 -2.4158 -2.4157 -2.3901 -2.3899 -2.3727 -2.3727 1.1897 1.1938 1.6266 1.6294 1.6529 1.6559 2.3609 2.3613 2.3893 2.3909 4.1032 4.1061 4.3595 4.3606 4.3950 4.3964 6.4802 6.4807 11.3832 11.3836 11.4644 11.4648 11.8681 11.8681 k = 0.5385 0.4915 0.3357 ( 9534 PWs) bands (ev): -41.9594 -41.9594 -41.4003 -41.4003 -41.3478 -41.3478 -41.3441 -41.3441 -18.0176 -18.0176 -13.9271 -13.9271 -13.9250 -13.9249 -13.5606 -13.5606 -3.9706 -3.9706 -2.4116 -2.4115 -2.3932 -2.3929 -2.3785 -2.3784 1.1961 1.2000 1.6294 1.6317 1.6593 1.6626 2.3629 2.3633 2.3803 2.3818 4.1108 4.1136 4.3689 4.3700 4.3961 4.3971 6.4674 6.4679 11.3855 11.3859 11.4475 11.4479 11.8535 11.8535 k = 0.5385 0.4915 0.3357 ( 9534 PWs) bands (ev): -41.9594 -41.9594 -41.4003 -41.4003 -41.3478 -41.3478 -41.3441 -41.3441 -18.0176 -18.0176 -13.9271 -13.9271 -13.9250 -13.9249 -13.5606 -13.5606 -3.9706 -3.9706 -2.4116 -2.4115 -2.3932 -2.3929 -2.3785 -2.3784 1.1961 1.2000 1.6294 1.6317 1.6593 1.6626 2.3629 2.3633 2.3803 2.3818 4.1108 4.1136 4.3689 4.3700 4.3961 4.3971 6.4674 6.4679 11.3855 11.3859 11.4475 11.4479 11.8535 11.8535 k = 0.5337 0.4871 0.3462 ( 9536 PWs) bands (ev): -41.9595 -41.9595 -41.3994 -41.3994 -41.3478 -41.3478 -41.3449 -41.3449 -18.0165 -18.0165 -13.9274 -13.9273 -13.9257 -13.9257 -13.5623 -13.5623 -3.9719 -3.9719 -2.4093 -2.4091 -2.3955 -2.3952 -2.3832 -2.3832 1.2035 1.2070 1.6360 1.6386 1.6619 1.6645 2.3609 2.3614 2.3745 2.3759 4.1185 4.1210 4.3765 4.3777 4.4001 4.4008 6.4544 6.4549 11.3849 11.3852 11.4316 11.4319 11.8397 11.8397 k = 0.5289 0.4827 0.3567 ( 9530 PWs) bands (ev): -41.9595 -41.9595 -41.3986 -41.3986 -41.3478 -41.3478 -41.3456 -41.3456 -18.0155 -18.0155 -13.9276 -13.9276 -13.9263 -13.9263 -13.5638 -13.5637 -3.9731 -3.9731 -2.4074 -2.4072 -2.3975 -2.3972 -2.3873 -2.3873 1.2101 1.2133 1.6417 1.6444 1.6646 1.6664 2.3592 2.3596 2.3694 2.3706 4.1254 4.1275 4.3830 4.3842 4.4037 4.4043 6.4430 6.4434 11.3837 11.3840 11.4175 11.4178 11.8281 11.8282 k = 0.5241 0.4783 0.3672 ( 9526 PWs) bands (ev): -41.9596 -41.9596 -41.3979 -41.3979 -41.3478 -41.3478 -41.3462 -41.3462 -18.0146 -18.0146 -13.9278 -13.9277 -13.9268 -13.9268 -13.5650 -13.5650 -3.9742 -3.9741 -2.4059 -2.4056 -2.3993 -2.3989 -2.3907 -2.3907 1.2159 1.2187 1.6462 1.6490 1.6671 1.6683 2.3577 2.3580 2.3650 2.3661 4.1312 4.1330 4.3884 4.3895 4.4071 4.4075 6.4333 6.4336 11.3823 11.3825 11.4054 11.4057 11.8187 11.8187 k = 0.5193 0.4740 0.3777 ( 9526 PWs) bands (ev): -41.9596 -41.9596 -41.3974 -41.3974 -41.3478 -41.3478 -41.3468 -41.3468 -18.0139 -18.0139 -13.9279 -13.9279 -13.9272 -13.9272 -13.5660 -13.5660 -3.9750 -3.9750 -2.4049 -2.4045 -2.4007 -2.4004 -2.3933 -2.3932 1.2209 1.2232 1.6499 1.6525 1.6695 1.6701 2.3563 2.3566 2.3614 2.3623 4.1361 4.1376 4.3927 4.3937 4.4102 4.4103 6.4252 6.4254 11.3808 11.3810 11.3954 11.3956 11.8112 11.8113 k = 0.5144 0.4696 0.3882 ( 9523 PWs) bands (ev): -41.9596 -41.9596 -41.3969 -41.3969 -41.3478 -41.3478 -41.3472 -41.3472 -18.0134 -18.0134 -13.9281 -13.9281 -13.9275 -13.9275 -13.5669 -13.5668 -3.9757 -3.9757 -2.4043 -2.4039 -2.4019 -2.4017 -2.3950 -2.3949 1.2249 1.2266 1.6527 1.6549 1.6716 1.6719 2.3552 2.3554 2.3587 2.3594 4.1400 4.1411 4.3959 4.3967 4.4127 4.4128 6.4189 6.4191 11.3794 11.3795 11.3875 11.3877 11.8056 11.8056 k = 0.5096 0.4652 0.3988 ( 9520 PWs) bands (ev): -41.9597 -41.9597 -41.3965 -41.3965 -41.3478 -41.3478 -41.3475 -41.3475 -18.0130 -18.0130 -13.9282 -13.9282 -13.9277 -13.9277 -13.5674 -13.5674 -3.9762 -3.9762 -2.4040 -2.4038 -2.4027 -2.4026 -2.3960 -2.3958 1.2278 1.2290 1.6547 1.6563 1.6732 1.6732 2.3542 2.3543 2.3570 2.3574 4.1429 4.1436 4.3981 4.3987 4.4146 4.4146 6.4143 6.4145 11.3783 11.3784 11.3819 11.3820 11.8016 11.8016 k = 0.5048 0.4608 0.4093 ( 9520 PWs) bands (ev): -41.9597 -41.9597 -41.3963 -41.3963 -41.3478 -41.3478 -41.3477 -41.3477 -18.0128 -18.0128 -13.9283 -13.9283 -13.9278 -13.9278 -13.5678 -13.5678 -3.9765 -3.9765 -2.4041 -2.4040 -2.4031 -2.4031 -2.3964 -2.3963 1.2298 1.2304 1.6561 1.6569 1.6742 1.6742 2.3535 2.3535 2.3561 2.3563 4.1447 4.1450 4.3995 4.3998 4.4158 4.4158 6.4116 6.4117 11.3775 11.3775 11.3786 11.3786 11.7993 11.7993 k = 0.5000 0.4564 0.4198 ( 9502 PWs) bands (ev): -41.9597 -41.9597 -41.3963 -41.3963 -41.3478 -41.3478 -41.3478 -41.3478 -18.0127 -18.0127 -13.9283 -13.9283 -13.9279 -13.9279 -13.5679 -13.5679 -3.9766 -3.9766 -2.4041 -2.4041 -2.4032 -2.4032 -2.3965 -2.3965 1.2306 1.2306 1.6568 1.6568 1.6745 1.6745 2.3533 2.3533 2.3559 2.3559 4.1454 4.1454 4.4001 4.4001 4.4162 4.4162 6.4107 6.4107 11.3771 11.3771 11.3776 11.3776 11.7985 11.7985 k = 0.5000-0.0457-0.0420 ( 9542 PWs) bands (ev): -41.9590 -41.9590 -41.4218 -41.4218 -41.3446 -41.3446 -41.3267 -41.3267 -18.1248 -18.1248 -13.9321 -13.9321 -13.8042 -13.8042 -13.4059 -13.4059 -4.1799 -4.1799 -2.2672 -2.2672 -2.1841 -2.1841 -2.1714 -2.1714 0.7056 0.7056 1.3744 1.3744 1.6508 1.6508 2.5581 2.5581 2.6697 2.6697 3.4198 3.4198 3.9354 3.9354 4.2979 4.2979 7.4757 7.4757 10.3638 10.3638 11.5821 11.5821 11.6859 11.6859 k = 0.5017-0.0358-0.0329 ( 9548 PWs) bands (ev): -41.9590 -41.9590 -41.4218 -41.4218 -41.3446 -41.3446 -41.3267 -41.3267 -18.1247 -18.1247 -13.9321 -13.9321 -13.8043 -13.8043 -13.4061 -13.4061 -4.1797 -4.1797 -2.2677 -2.2674 -2.1843 -2.1842 -2.1717 -2.1714 0.7064 0.7064 1.3737 1.3741 1.6512 1.6515 2.5578 2.5580 2.6688 2.6691 3.4206 3.4208 3.9360 3.9361 4.2978 4.2979 7.4746 7.4748 10.3658 10.3659 11.5824 11.5825 11.6870 11.6872 k = 0.5033-0.0259-0.0238 ( 9548 PWs) bands (ev): -41.9590 -41.9590 -41.4218 -41.4218 -41.3446 -41.3446 -41.3268 -41.3268 -18.1244 -18.1244 -13.9320 -13.9320 -13.8047 -13.8047 -13.4065 -13.4065 -4.1789 -4.1789 -2.2689 -2.2684 -2.1849 -2.1848 -2.1723 -2.1718 0.7087 0.7087 1.3720 1.3729 1.6527 1.6533 2.5570 2.5574 2.6664 2.6670 3.4232 3.4237 3.9379 3.9382 4.2977 4.2977 7.4713 7.4717 10.3719 10.3721 11.5834 11.5835 11.6902 11.6906 k = 0.5050-0.0159-0.0147 ( 9535 PWs) bands (ev): -41.9590 -41.9590 -41.4217 -41.4217 -41.3446 -41.3446 -41.3268 -41.3268 -18.1239 -18.1239 -13.9320 -13.9320 -13.8053 -13.8053 -13.4072 -13.4072 -4.1777 -4.1777 -2.2707 -2.2701 -2.1859 -2.1857 -2.1733 -2.1725 0.7125 0.7126 1.3694 1.3707 1.6553 1.6562 2.5558 2.5564 2.6625 2.6634 3.4275 3.4282 3.9412 3.9416 4.2974 4.2975 7.4659 7.4665 10.3820 10.3823 11.5851 11.5853 11.6956 11.6962 k = 0.5067-0.0060-0.0055 ( 9537 PWs) bands (ev): -41.9590 -41.9590 -41.4216 -41.4216 -41.3447 -41.3447 -41.3269 -41.3269 -18.1232 -18.1232 -13.9320 -13.9320 -13.8062 -13.8062 -13.4082 -13.4082 -4.1760 -4.1760 -2.2733 -2.2724 -2.1873 -2.1871 -2.1746 -2.1736 0.7179 0.7180 1.3660 1.3677 1.6589 1.6600 2.5542 2.5550 2.6571 2.6582 3.4336 3.4345 3.9458 3.9463 4.2971 4.2972 7.4584 7.4592 10.3960 10.3964 11.5875 11.5877 11.7032 11.7040 k = 0.5084 0.0039 0.0036 ( 9539 PWs) bands (ev): -41.9590 -41.9590 -41.4215 -41.4215 -41.3447 -41.3447 -41.3270 -41.3270 -18.1223 -18.1223 -13.9319 -13.9319 -13.8073 -13.8073 -13.4095 -13.4095 -4.1738 -4.1738 -2.2764 -2.2753 -2.1891 -2.1888 -2.1763 -2.1751 0.7248 0.7249 1.3619 1.3639 1.6633 1.6647 2.5523 2.5533 2.6502 2.6516 3.4413 3.4425 3.9518 3.9524 4.2966 4.2968 7.4490 7.4500 10.4139 10.4144 11.5904 11.5908 11.7128 11.7138 k = 0.5100 0.0138 0.0127 ( 9539 PWs) bands (ev): -41.9590 -41.9590 -41.4213 -41.4213 -41.3447 -41.3447 -41.3271 -41.3271 -18.1212 -18.1211 -13.9318 -13.9318 -13.8087 -13.8087 -13.4110 -13.4110 -4.1712 -4.1712 -2.2801 -2.2788 -2.1912 -2.1909 -2.1785 -2.1770 0.7332 0.7333 1.3572 1.3596 1.6685 1.6702 2.5500 2.5512 2.6419 2.6435 3.4507 3.4520 3.9591 3.9598 4.2961 4.2963 7.4375 7.4387 10.4355 10.4360 11.5940 11.5944 11.7245 11.7257 k = 0.5117 0.0237 0.0218 ( 9539 PWs) bands (ev): -41.9590 -41.9590 -41.4211 -41.4211 -41.3448 -41.3448 -41.3273 -41.3273 -18.1199 -18.1199 -13.9317 -13.9317 -13.8103 -13.8102 -13.4128 -13.4128 -4.1681 -4.1681 -2.2842 -2.2828 -2.1937 -2.1933 -2.1810 -2.1794 0.7431 0.7431 1.3520 1.3547 1.6743 1.6763 2.5475 2.5488 2.6322 2.6341 3.4615 3.4631 3.9677 3.9684 4.2955 4.2958 7.4242 7.4256 10.4605 10.4612 11.5981 11.5985 11.7382 11.7395 k = 0.5134 0.0337 0.0310 ( 9545 PWs) bands (ev): -41.9590 -41.9590 -41.4209 -41.4209 -41.3448 -41.3448 -41.3274 -41.3274 -18.1184 -18.1184 -13.9316 -13.9316 -13.8121 -13.8121 -13.4149 -13.4149 -4.1646 -4.1646 -2.2888 -2.2872 -2.1965 -2.1961 -2.1840 -2.1822 0.7544 0.7544 1.3464 1.3494 1.6807 1.6829 2.5447 2.5462 2.6212 2.6232 3.4738 3.4756 3.9775 3.9783 4.2949 4.2952 7.4091 7.4106 10.4889 10.4896 11.6026 11.6031 11.7536 11.7551 k = 0.5151 0.0436 0.0401 ( 9547 PWs) bands (ev): -41.9590 -41.9590 -41.4207 -41.4207 -41.3449 -41.3449 -41.3276 -41.3276 -18.1167 -18.1167 -13.9315 -13.9315 -13.8141 -13.8141 -13.4173 -13.4173 -4.1606 -4.1606 -2.2937 -2.2920 -2.1997 -2.1993 -2.1874 -2.1855 0.7671 0.7672 1.3405 1.3438 1.6874 1.6898 2.5417 2.5434 2.6089 2.6111 3.4874 3.4894 3.9885 3.9894 4.2942 4.2945 7.3923 7.3939 10.5204 10.5212 11.6075 11.6080 11.7708 11.7724 k = 0.5167 0.0535 0.0492 ( 9543 PWs) bands (ev): -41.9590 -41.9590 -41.4204 -41.4204 -41.3449 -41.3449 -41.3278 -41.3278 -18.1148 -18.1148 -13.9314 -13.9314 -13.8164 -13.8164 -13.4199 -13.4199 -4.1562 -4.1562 -2.2988 -2.2971 -2.2033 -2.2028 -2.1913 -2.1892 0.7812 0.7812 1.3344 1.3381 1.6943 1.6970 2.5385 2.5404 2.5956 2.5978 3.5023 3.5044 4.0007 4.0016 4.2935 4.2938 7.3738 7.3756 10.5547 10.5556 11.6127 11.6133 11.7894 11.7912 k = 0.5184 0.0634 0.0583 ( 9550 PWs) bands (ev): -41.9590 -41.9590 -41.4201 -41.4201 -41.3450 -41.3450 -41.3280 -41.3280 -18.1128 -18.1128 -13.9313 -13.9313 -13.8188 -13.8188 -13.4228 -13.4227 -4.1515 -4.1515 -2.3042 -2.3023 -2.2071 -2.2066 -2.1956 -2.1935 0.7965 0.7966 1.3283 1.3322 1.7013 1.7043 2.5352 2.5372 2.5813 2.5836 3.5183 3.5206 4.0139 4.0149 4.2927 4.2930 7.3538 7.3557 10.5916 10.5926 11.6180 11.6187 11.8095 11.8114 k = 0.5201 0.0734 0.0675 ( 9542 PWs) bands (ev): -41.9590 -41.9590 -41.4198 -41.4198 -41.3450 -41.3450 -41.3283 -41.3283 -18.1106 -18.1106 -13.9311 -13.9311 -13.8215 -13.8215 -13.4259 -13.4258 -4.1463 -4.1463 -2.3097 -2.3078 -2.2113 -2.2107 -2.2004 -2.1982 0.8132 0.8133 1.3221 1.3263 1.7084 1.7117 2.5316 2.5338 2.5664 2.5686 3.5354 3.5378 4.0280 4.0291 4.2919 4.2923 7.3324 7.3343 10.6309 10.6319 11.6235 11.6243 11.8307 11.8327 k = 0.5218 0.0833 0.0766 ( 9544 PWs) bands (ev): -41.9590 -41.9590 -41.4194 -41.4194 -41.3451 -41.3451 -41.3285 -41.3285 -18.1083 -18.1083 -13.9310 -13.9310 -13.8243 -13.8243 -13.4292 -13.4292 -4.1409 -4.1408 -2.3153 -2.3133 -2.2157 -2.2151 -2.2057 -2.2033 0.8311 0.8312 1.3159 1.3204 1.7153 1.7189 2.5273 2.5300 2.5514 2.5533 3.5534 3.5560 4.0430 4.0441 4.2912 4.2915 7.3096 7.3116 10.6722 10.6732 11.6290 11.6298 11.8530 11.8549 k = 0.5234 0.0932 0.0857 ( 9548 PWs) bands (ev): -41.9590 -41.9590 -41.4191 -41.4191 -41.3452 -41.3452 -41.3288 -41.3288 -18.1058 -18.1058 -13.9308 -13.9308 -13.8273 -13.8273 -13.4328 -13.4327 -4.1351 -4.1350 -2.3209 -2.3188 -2.2204 -2.2198 -2.2114 -2.2089 0.8502 0.8503 1.3098 1.3145 1.7220 1.7258 2.5212 2.5245 2.5379 2.5391 3.5723 3.5750 4.0587 4.0598 4.2904 4.2908 7.2855 7.2876 10.7152 10.7163 11.6344 11.6353 11.8759 11.8779 k = 0.5251 0.1031 0.0948 ( 9544 PWs) bands (ev): -41.9590 -41.9590 -41.4187 -41.4187 -41.3453 -41.3453 -41.3291 -41.3291 -18.1032 -18.1032 -13.9306 -13.9306 -13.8304 -13.8304 -13.4365 -13.4365 -4.1290 -4.1289 -2.3265 -2.3244 -2.2254 -2.2247 -2.2174 -2.2149 0.8704 0.8705 1.3038 1.3088 1.7283 1.7324 2.5102 2.5137 2.5289 2.5300 3.5918 3.5947 4.0749 4.0760 4.2898 4.2901 7.2603 7.2624 10.7596 10.7608 11.6396 11.6405 11.8993 11.9013 k = 0.5268 0.1130 0.1040 ( 9539 PWs) bands (ev): -41.9590 -41.9590 -41.4182 -41.4182 -41.3454 -41.3454 -41.3294 -41.3294 -18.1004 -18.1004 -13.9305 -13.9304 -13.8337 -13.8337 -13.4405 -13.4405 -4.1226 -4.1226 -2.3320 -2.3299 -2.2307 -2.2299 -2.2239 -2.2213 0.8917 0.8918 1.2979 1.3031 1.7341 1.7386 2.4953 2.4985 2.5238 2.5251 3.6121 3.6150 4.0916 4.0927 4.2891 4.2895 7.2340 7.2362 10.8052 10.8064 11.6445 11.6454 11.9229 11.9249 k = 0.5285 0.1230 0.1131 ( 9530 PWs) bands (ev): -41.9590 -41.9590 -41.4178 -41.4178 -41.3454 -41.3454 -41.3298 -41.3298 -18.0975 -18.0975 -13.9303 -13.9302 -13.8372 -13.8371 -13.4447 -13.4447 -4.1160 -4.1160 -2.3374 -2.3352 -2.2363 -2.2354 -2.2306 -2.2279 0.9139 0.9141 1.2921 1.2975 1.7393 1.7441 2.4794 2.4822 2.5200 2.5216 3.6328 3.6359 4.1085 4.1096 4.2886 4.2890 7.2068 7.2089 10.8515 10.8527 11.6488 11.6499 11.9464 11.9483 k = 0.5301 0.1329 0.1222 ( 9538 PWs) bands (ev): -41.9590 -41.9590 -41.4173 -41.4173 -41.3455 -41.3455 -41.3301 -41.3301 -18.0945 -18.0945 -13.9301 -13.9300 -13.8407 -13.8407 -13.4490 -13.4490 -4.1092 -4.1092 -2.3427 -2.3404 -2.2421 -2.2413 -2.2374 -2.2348 0.9371 0.9373 1.2865 1.2920 1.7438 1.7490 2.4635 2.4660 2.5167 2.5184 3.6541 3.6572 4.1256 4.1267 4.2882 4.2886 7.1787 7.1809 10.8983 10.8995 11.6527 11.6538 11.9694 11.9712 k = 0.5318 0.1428 0.1313 ( 9527 PWs) bands (ev): -41.9590 -41.9590 -41.4169 -41.4169 -41.3456 -41.3456 -41.3305 -41.3305 -18.0914 -18.0914 -13.9299 -13.9298 -13.8443 -13.8443 -13.4535 -13.4535 -4.1022 -4.1022 -2.3477 -2.3455 -2.2482 -2.2476 -2.2442 -2.2417 0.9612 0.9614 1.2809 1.2866 1.7475 1.7531 2.4481 2.4504 2.5136 2.5153 3.6757 3.6790 4.1427 4.1437 4.2879 4.2883 7.1499 7.1520 10.9452 10.9464 11.6558 11.6570 11.9916 11.9932 k = 0.5335 0.1527 0.1405 ( 9526 PWs) bands (ev): -41.9590 -41.9590 -41.4163 -41.4163 -41.3457 -41.3457 -41.3309 -41.3309 -18.0882 -18.0882 -13.9297 -13.9296 -13.8481 -13.8480 -13.4581 -13.4581 -4.0951 -4.0950 -2.3525 -2.3503 -2.2548 -2.2546 -2.2507 -2.2487 0.9861 0.9863 1.2754 1.2813 1.7503 1.7563 2.4335 2.4355 2.5106 2.5124 3.6976 3.7009 4.1596 4.1606 4.2878 4.2881 7.1203 7.1224 10.9918 10.9930 11.6582 11.6594 12.0126 12.0141 k = 0.5352 0.1626 0.1496 ( 9524 PWs) bands (ev): -41.9590 -41.9590 -41.4158 -41.4158 -41.3458 -41.3458 -41.3313 -41.3313 -18.0849 -18.0849 -13.9295 -13.9294 -13.8519 -13.8518 -13.4629 -13.4629 -4.0878 -4.0878 -2.3571 -2.3548 -2.2621 -2.2618 -2.2570 -2.2555 1.0117 1.0120 1.2700 1.2761 1.7521 1.7585 2.4199 2.4216 2.5077 2.5094 3.7196 3.7231 4.1762 4.1771 4.2878 4.2882 7.0902 7.0923 11.0378 11.0389 11.6597 11.6610 12.0322 12.0335 k = 0.5368 0.1726 0.1587 ( 9522 PWs) bands (ev): -41.9590 -41.9590 -41.4153 -41.4153 -41.3459 -41.3459 -41.3317 -41.3317 -18.0816 -18.0816 -13.9292 -13.9292 -13.8557 -13.8557 -13.4678 -13.4677 -4.0805 -4.0805 -2.3614 -2.3592 -2.2700 -2.2692 -2.2632 -2.2622 1.0380 1.0382 1.2647 1.2709 1.7530 1.7598 2.4076 2.4089 2.5047 2.5065 3.7418 3.7454 4.1924 4.1932 4.2881 4.2885 7.0596 7.0617 11.0829 11.0839 11.6603 11.6616 12.0499 12.0510 k = 0.5385 0.1825 0.1678 ( 9516 PWs) bands (ev): -41.9590 -41.9590 -41.4147 -41.4147 -41.3460 -41.3460 -41.3321 -41.3321 -18.0782 -18.0782 -13.9290 -13.9290 -13.8596 -13.8596 -13.4727 -13.4727 -4.0731 -4.0731 -2.3655 -2.3632 -2.2780 -2.2769 -2.2694 -2.2687 1.0649 1.0651 1.2594 1.2657 1.7529 1.7601 2.3966 2.3976 2.5017 2.5034 3.7640 3.7677 4.2081 4.2087 4.2887 4.2891 7.0287 7.0306 11.1265 11.1274 11.6598 11.6611 12.0656 12.0664 k = 0.5402 0.1924 0.1770 ( 9508 PWs) bands (ev): -41.9590 -41.9590 -41.4141 -41.4141 -41.3461 -41.3461 -41.3326 -41.3326 -18.0747 -18.0747 -13.9288 -13.9288 -13.8635 -13.8635 -13.4777 -13.4777 -4.0658 -4.0658 -2.3692 -2.3670 -2.2861 -2.2848 -2.2756 -2.2751 1.0922 1.0925 1.2541 1.2605 1.7518 1.7594 2.3870 2.3877 2.4985 2.5003 3.7862 3.7899 4.2231 4.2236 4.2895 4.2900 6.9974 6.9993 11.1683 11.1692 11.6583 11.6596 12.0789 12.0794 k = 0.5419 0.2023 0.1861 ( 9509 PWs) bands (ev): -41.9590 -41.9590 -41.4135 -41.4135 -41.3462 -41.3462 -41.3330 -41.3330 -18.0713 -18.0713 -13.9286 -13.9286 -13.8674 -13.8674 -13.4828 -13.4828 -4.0585 -4.0585 -2.3727 -2.3704 -2.2943 -2.2929 -2.2819 -2.2814 1.1200 1.1203 1.2489 1.2553 1.7499 1.7577 2.3790 2.3793 2.4953 2.4970 3.8082 3.8120 4.2375 4.2377 4.2907 4.2913 6.9660 6.9679 11.2080 11.2088 11.6556 11.6570 12.0896 12.0899 k = 0.5435 0.2123 0.1952 ( 9521 PWs) bands (ev): -41.9590 -41.9590 -41.4129 -41.4129 -41.3463 -41.3463 -41.3335 -41.3335 -18.0678 -18.0678 -13.9284 -13.9284 -13.8714 -13.8713 -13.4879 -13.4878 -4.0512 -4.0512 -2.3759 -2.3736 -2.3024 -2.3009 -2.2881 -2.2878 1.1482 1.1484 1.2436 1.2500 1.7471 1.7552 2.3724 2.3725 2.4918 2.4935 3.8300 3.8339 4.2508 4.2510 4.2923 4.2931 6.9345 6.9363 11.2452 11.2459 11.6518 11.6531 12.0977 12.0978 k = 0.5452 0.2222 0.2044 ( 9534 PWs) bands (ev): -41.9591 -41.9591 -41.4123 -41.4123 -41.3464 -41.3464 -41.3340 -41.3340 -18.0643 -18.0643 -13.9282 -13.9282 -13.8753 -13.8752 -13.4929 -13.4929 -4.0441 -4.0441 -2.3788 -2.3765 -2.3105 -2.3089 -2.2942 -2.2940 1.1766 1.1766 1.2385 1.2448 1.7436 1.7519 2.3670 2.3673 2.4881 2.4898 3.8515 3.8555 4.2629 4.2635 4.2943 4.2955 6.9031 6.9048 11.2794 11.2800 11.6468 11.6482 12.1028 12.1031 k = 0.5469 0.2321 0.2135 ( 9534 PWs) bands (ev): -41.9591 -41.9591 -41.4117 -41.4117 -41.3465 -41.3465 -41.3345 -41.3345 -18.0609 -18.0609 -13.9281 -13.9280 -13.8791 -13.8791 -13.4980 -13.4980 -4.0371 -4.0371 -2.3814 -2.3792 -2.3184 -2.3168 -2.3003 -2.3002 1.2046 1.2051 1.2339 1.2396 1.7395 1.7480 2.3630 2.3635 2.4842 2.4858 3.8726 3.8766 4.2737 4.2750 4.2969 4.2987 6.8718 6.8734 11.3104 11.3109 11.6407 11.6421 12.1051 12.1056 k = 0.5485 0.2420 0.2226 ( 9535 PWs) bands (ev): -41.9591 -41.9591 -41.4111 -41.4111 -41.3466 -41.3466 -41.3350 -41.3350 -18.0574 -18.0574 -13.9279 -13.9278 -13.8829 -13.8829 -13.5030 -13.5030 -4.0303 -4.0302 -2.3837 -2.3816 -2.3262 -2.3246 -2.3064 -2.3062 1.2240 1.2308 1.2372 1.2381 1.7350 1.7437 2.3602 2.3609 2.4799 2.4814 3.8932 3.8973 4.2828 4.2852 4.3003 4.3030 6.8408 6.8423 11.3378 11.3382 11.6335 11.6348 12.1044 12.1052 k = 0.5502 0.2519 0.2317 ( 9533 PWs) bands (ev): -41.9591 -41.9591 -41.4104 -41.4104 -41.3467 -41.3467 -41.3355 -41.3355 -18.0541 -18.0541 -13.9277 -13.9277 -13.8867 -13.8867 -13.5079 -13.5079 -4.0236 -4.0236 -2.3858 -2.3837 -2.3338 -2.3321 -2.3123 -2.3122 1.2213 1.2284 1.2631 1.2643 1.7302 1.7389 2.3585 2.3595 2.4753 2.4768 3.9133 3.9174 4.2902 4.2937 4.3051 4.3086 6.8101 6.8115 11.3614 11.3617 11.6252 11.6266 12.1006 12.1015 k = 0.5519 0.2619 0.2409 ( 9539 PWs) bands (ev): -41.9591 -41.9591 -41.4098 -41.4098 -41.3468 -41.3468 -41.3361 -41.3361 -18.0508 -18.0507 -13.9276 -13.9275 -13.8903 -13.8903 -13.5128 -13.5128 -4.0173 -4.0173 -2.3877 -2.3856 -2.3411 -2.3395 -2.3182 -2.3181 1.2165 1.2233 1.2917 1.2926 1.7253 1.7340 2.3578 2.3589 2.4703 2.4717 3.9327 3.9369 4.2962 4.3000 4.3115 4.3152 6.7799 6.7813 11.3811 11.3813 11.6160 11.6173 12.0935 12.0945 k = 0.5536 0.2718 0.2500 ( 9544 PWs) bands (ev): -41.9591 -41.9591 -41.4091 -41.4091 -41.3469 -41.3469 -41.3366 -41.3366 -18.0475 -18.0475 -13.9274 -13.9274 -13.8939 -13.8939 -13.5175 -13.5175 -4.0112 -4.0112 -2.3894 -2.3873 -2.3482 -2.3465 -2.3238 -2.3238 1.2117 1.2183 1.3201 1.3210 1.7202 1.7289 2.3578 2.3592 2.4649 2.4663 3.9514 3.9556 4.3015 4.3053 4.3187 4.3221 6.7504 6.7517 11.3968 11.3969 11.6058 11.6072 12.0830 12.0838 k = 0.5552 0.2817 0.2591 ( 9543 PWs) bands (ev): -41.9591 -41.9591 -41.4084 -41.4084 -41.3470 -41.3470 -41.3372 -41.3372 -18.0444 -18.0444 -13.9273 -13.9272 -13.8973 -13.8973 -13.5221 -13.5221 -4.0054 -4.0054 -2.3909 -2.3888 -2.3549 -2.3533 -2.3294 -2.3293 1.2070 1.2134 1.3483 1.3491 1.7152 1.7238 2.3586 2.3600 2.4591 2.4604 3.9693 3.9735 4.3066 4.3102 4.3258 4.3289 6.7216 6.7228 11.4087 11.4087 11.5950 11.5962 12.0691 12.0698 k = 0.5569 0.2916 0.2682 ( 9541 PWs) bands (ev): -41.9591 -41.9591 -41.4078 -41.4078 -41.3471 -41.3471 -41.3377 -41.3377 -18.0413 -18.0413 -13.9271 -13.9271 -13.9007 -13.9007 -13.5265 -13.5265 -4.0000 -4.0000 -2.3922 -2.3902 -2.3612 -2.3596 -2.3347 -2.3347 1.2026 1.2087 1.3761 1.3769 1.7103 1.7187 2.3598 2.3614 2.4529 2.4541 3.9863 3.9906 4.3117 4.3153 4.3324 4.3352 6.6937 6.6948 11.4169 11.4169 11.5834 11.5847 12.0524 12.0530 k = 0.5586 0.3015 0.2774 ( 9538 PWs) bands (ev): -41.9592 -41.9592 -41.4071 -41.4071 -41.3472 -41.3472 -41.3383 -41.3383 -18.0384 -18.0384 -13.9270 -13.9269 -13.9039 -13.9039 -13.5308 -13.5307 -3.9950 -3.9950 -2.3935 -2.3916 -2.3671 -2.3656 -2.3399 -2.3398 1.1984 1.2044 1.4034 1.4042 1.7055 1.7138 2.3615 2.3631 2.4463 2.4474 4.0024 4.0066 4.3171 4.3207 4.3384 4.3411 6.6667 6.6677 11.4218 11.4218 11.5714 11.5726 12.0336 12.0341 k = 0.5603 0.3115 0.2865 ( 9538 PWs) bands (ev): -41.9592 -41.9592 -41.4064 -41.4064 -41.3472 -41.3472 -41.3388 -41.3388 -18.0356 -18.0356 -13.9269 -13.9268 -13.9069 -13.9069 -13.5348 -13.5348 -3.9903 -3.9903 -2.3947 -2.3929 -2.3725 -2.3711 -2.3448 -2.3448 1.1947 1.2005 1.4302 1.4310 1.7009 1.7089 2.3634 2.3650 2.4393 2.4403 4.0174 4.0216 4.3228 4.3263 4.3439 4.3465 6.6408 6.6418 11.4239 11.4239 11.5590 11.5601 12.0136 12.0139 k = 0.5619 0.3214 0.2956 ( 9536 PWs) bands (ev): -41.9592 -41.9592 -41.4058 -41.4058 -41.3473 -41.3473 -41.3394 -41.3394 -18.0330 -18.0330 -13.9267 -13.9267 -13.9098 -13.9098 -13.5387 -13.5386 -3.9861 -3.9861 -2.3959 -2.3943 -2.3774 -2.3760 -2.3495 -2.3495 1.1915 1.1971 1.4561 1.4570 1.6965 1.7042 2.3654 2.3671 2.4319 2.4328 4.0314 4.0356 4.3286 4.3322 4.3490 4.3514 6.6162 6.6171 11.4236 11.4236 11.5464 11.5475 11.9931 11.9933 k = 0.5636 0.3313 0.3047 ( 9535 PWs) bands (ev): -41.9592 -41.9592 -41.4051 -41.4051 -41.3474 -41.3474 -41.3399 -41.3399 -18.0305 -18.0305 -13.9266 -13.9265 -13.9125 -13.9125 -13.5422 -13.5422 -3.9823 -3.9823 -2.3973 -2.3959 -2.3815 -2.3803 -2.3539 -2.3539 1.1889 1.1943 1.4813 1.4821 1.6922 1.6996 2.3675 2.3692 2.4242 2.4251 4.0444 4.0485 4.3346 4.3382 4.3538 4.3560 6.5930 6.5938 11.4214 11.4215 11.5337 11.5347 11.9727 11.9729 k = 0.5653 0.3412 0.3139 ( 9531 PWs) bands (ev): -41.9592 -41.9592 -41.4045 -41.4045 -41.3475 -41.3475 -41.3405 -41.3405 -18.0282 -18.0282 -13.9265 -13.9264 -13.9151 -13.9151 -13.5456 -13.5455 -3.9790 -3.9790 -2.3989 -2.3978 -2.3848 -2.3839 -2.3581 -2.3581 1.1869 1.1921 1.5054 1.5062 1.6880 1.6951 2.3695 2.3713 2.4163 2.4171 4.0563 4.0602 4.3406 4.3441 4.3584 4.3604 6.5711 6.5719 11.4178 11.4179 11.5211 11.5221 11.9530 11.9531 k = 0.5670 0.3512 0.3230 ( 9525 PWs) bands (ev): -41.9593 -41.9593 -41.4038 -41.4038 -41.3475 -41.3475 -41.3410 -41.3410 -18.0260 -18.0260 -13.9263 -13.9263 -13.9174 -13.9174 -13.5486 -13.5486 -3.9762 -3.9762 -2.4008 -2.4000 -2.3872 -2.3867 -2.3620 -2.3620 1.1856 1.1906 1.5283 1.5292 1.6839 1.6907 2.3715 2.3732 2.4083 2.4089 4.0671 4.0709 4.3463 4.3497 4.3631 4.3649 6.5509 6.5516 11.4133 11.4134 11.5088 11.5097 11.9342 11.9343 k = 0.5686 0.3611 0.3321 ( 9529 PWs) bands (ev): -41.9593 -41.9593 -41.4032 -41.4032 -41.3476 -41.3476 -41.3415 -41.3415 -18.0241 -18.0241 -13.9261 -13.9261 -13.9196 -13.9196 -13.5514 -13.5514 -3.9739 -3.9739 -2.4028 -2.4024 -2.3890 -2.3887 -2.3656 -2.3655 1.1851 1.1899 1.5499 1.5508 1.6798 1.6862 2.3733 2.3750 2.4002 2.4008 4.0768 4.0805 4.3516 4.3545 4.3683 4.3695 6.5323 6.5329 11.4082 11.4084 11.4968 11.4977 11.9167 11.9167 k = 0.5703 0.3710 0.3412 ( 9538 PWs) bands (ev): -41.9593 -41.9593 -41.4026 -41.4026 -41.3476 -41.3476 -41.3421 -41.3421 -18.0224 -18.0223 -13.9260 -13.9259 -13.9215 -13.9215 -13.5539 -13.5538 -3.9721 -3.9721 -2.4050 -2.4048 -2.3902 -2.3902 -2.3688 -2.3688 1.1855 1.1901 1.5699 1.5709 1.6757 1.6817 2.3750 2.3765 2.3922 2.3927 4.0856 4.0891 4.3562 4.3586 4.3739 4.3745 6.5155 6.5161 11.4030 11.4033 11.4854 11.4862 11.9006 11.9006 k = 0.5720 0.3809 0.3504 ( 9538 PWs) bands (ev): -41.9593 -41.9593 -41.4020 -41.4020 -41.3477 -41.3477 -41.3426 -41.3426 -18.0208 -18.0208 -13.9258 -13.9257 -13.9232 -13.9232 -13.5560 -13.5560 -3.9709 -3.9709 -2.4070 -2.4070 -2.3913 -2.3911 -2.3717 -2.3717 1.1867 1.1911 1.5882 1.5893 1.6715 1.6771 2.3763 2.3776 2.3847 2.3849 4.0933 4.0966 4.3601 4.3621 4.3798 4.3798 6.5005 6.5011 11.3979 11.3982 11.4747 11.4754 11.8861 11.8861 k = 0.5737 0.3908 0.3595 ( 9540 PWs) bands (ev): -41.9594 -41.9594 -41.4014 -41.4014 -41.3477 -41.3477 -41.3431 -41.3431 -18.0195 -18.0195 -13.9256 -13.9255 -13.9247 -13.9247 -13.5579 -13.5579 -3.9702 -3.9702 -2.4089 -2.4088 -2.3921 -2.3918 -2.3743 -2.3743 1.1889 1.1931 1.6045 1.6057 1.6673 1.6724 2.3754 2.3758 2.3792 2.3807 4.1000 4.1032 4.3634 4.3650 4.3854 4.3858 6.4874 6.4880 11.3932 11.3935 11.4647 11.4653 11.8733 11.8734 k = 0.5753 0.4008 0.3686 ( 9542 PWs) bands (ev): -41.9594 -41.9594 -41.4008 -41.4008 -41.3477 -41.3477 -41.3436 -41.3436 -18.0185 -18.0185 -13.9261 -13.9261 -13.9252 -13.9252 -13.5594 -13.5594 -3.9701 -3.9701 -2.4105 -2.4103 -2.3927 -2.3924 -2.3766 -2.3766 1.1920 1.1960 1.6184 1.6200 1.6631 1.6675 2.3691 2.3696 2.3795 2.3811 4.1059 4.1088 4.3663 4.3676 4.3909 4.3916 6.4764 6.4769 11.3890 11.3894 11.4556 11.4561 11.8624 11.8625 k = 0.5770 0.4107 0.3777 ( 9534 PWs) bands (ev): -41.9594 -41.9594 -41.4003 -41.4003 -41.3478 -41.3478 -41.3441 -41.3441 -18.0176 -18.0176 -13.9271 -13.9271 -13.9250 -13.9249 -13.5606 -13.5606 -3.9706 -3.9706 -2.4116 -2.4115 -2.3932 -2.3929 -2.3785 -2.3784 1.1961 1.2000 1.6294 1.6317 1.6593 1.6626 2.3629 2.3633 2.3803 2.3818 4.1108 4.1136 4.3689 4.3700 4.3961 4.3971 6.4674 6.4679 11.3855 11.3859 11.4475 11.4479 11.8535 11.8535 Writing output data file Li4CO4.save init_run : 1.75s CPU 9.83s WALL ( 1 calls) electrons : 826.38s CPU 834.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.26s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 826.35s CPU 834.66s WALL ( 1 calls) v_of_rho : 0.14s CPU 1.09s WALL ( 1 calls) v_h : 0.10s CPU 0.16s WALL ( 1 calls) v_xc : 0.03s CPU 0.61s WALL ( 1 calls) newd : 0.20s CPU 0.43s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.13s WALL ( 299 calls) cegterg : 763.77s CPU 769.27s WALL ( 592 calls) Called by sum_band: Called by *egterg: h_psi : 464.69s CPU 471.89s WALL ( 10923 calls) s_psi : 25.16s CPU 25.41s WALL ( 10923 calls) g_psi : 1.39s CPU 1.33s WALL ( 10032 calls) cdiaghg : 178.44s CPU 178.18s WALL ( 10331 calls) cegterg:over : 66.66s CPU 63.97s WALL ( 10032 calls) cegterg:upda : 24.27s CPU 25.85s WALL ( 10032 calls) cegterg:last : 17.57s CPU 18.11s WALL ( 1790 calls) Called by h_psi: h_psi:vloc : 399.77s CPU 404.95s WALL ( 10923 calls) h_psi:vnl : 64.19s CPU 65.64s WALL ( 10923 calls) add_vuspsi : 19.45s CPU 22.82s WALL ( 10923 calls) General routines calbec : 44.70s CPU 42.65s WALL ( 10923 calls) fft : 0.33s CPU 1.06s WALL ( 15 calls) fftw : 383.11s CPU 386.27s WALL ( 1101336 calls) davcio : 0.04s CPU 1.93s WALL ( 598 calls) Parallel routines fft_scatter : 220.80s CPU 220.44s WALL ( 1101351 calls) PWSCF : 14m53.92s CPU 17m18.58s WALL This run was terminated on: 5:26:25 6Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=