Program PWSCF v.5.1.1 starts on 31Oct2015 at 3:46: 0 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: ./LiAsSe2.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 82 82 22 3437 3437 489 Max 83 83 23 3440 3440 494 Sum 3971 3971 1087 165035 165035 23589 bravais-lattice index = 14 lattice parameter (alat) = 12.7360 a.u. unit-cell volume = 1173.4858 (a.u.)^3 number of atoms/cell = 8 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)= 12.735966 celldm(2)= 1.000000 celldm(3)= 0.823983 celldm(4)= 0.357891 celldm(5)= 0.357891 celldm(6)= 0.661919 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.661919 0.749576 0.000000 ) a(3) = ( 0.294896 0.133007 0.757821 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.883058 -0.234149 ) b(2) = ( 0.000000 1.334088 -0.234149 ) b(3) = ( 0.000000 0.000000 1.319573 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 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 Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 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 atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Se 6.00 78.96000 Se( 1.00) Li 3.00 6.94100 Li( 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= 281 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 2) = ( 0.0178571 0.0080541 -0.0083625), wk = 0.0035587 k( 3) = ( 0.0357143 0.0161082 -0.0167250), wk = 0.0035587 k( 4) = ( 0.0535714 0.0241623 -0.0250874), wk = 0.0035587 k( 5) = ( 0.0714286 0.0322165 -0.0334499), wk = 0.0035587 k( 6) = ( 0.0892857 0.0402706 -0.0418124), wk = 0.0035587 k( 7) = ( 0.1071429 0.0483247 -0.0501749), wk = 0.0035587 k( 8) = ( 0.1250000 0.0563788 -0.0585373), wk = 0.0035587 k( 9) = ( 0.1428571 0.0644329 -0.0668998), wk = 0.0035587 k( 10) = ( 0.1607143 0.0724870 -0.0752623), wk = 0.0035587 k( 11) = ( 0.1785714 0.0805411 -0.0836248), wk = 0.0035587 k( 12) = ( 0.1964286 0.0885952 -0.0919872), wk = 0.0035587 k( 13) = ( 0.2142857 0.0966494 -0.1003497), wk = 0.0035587 k( 14) = ( 0.2321429 0.1047035 -0.1087122), wk = 0.0035587 k( 15) = ( 0.2500000 0.1127576 -0.1170747), wk = 0.0035587 k( 16) = ( 0.2678571 0.1208117 -0.1254371), wk = 0.0035587 k( 17) = ( 0.2857143 0.1288658 -0.1337996), wk = 0.0035587 k( 18) = ( 0.3035714 0.1369199 -0.1421621), wk = 0.0035587 k( 19) = ( 0.3214286 0.1449740 -0.1505246), wk = 0.0035587 k( 20) = ( 0.3392857 0.1530281 -0.1588870), wk = 0.0035587 k( 21) = ( 0.3571429 0.1610823 -0.1672495), wk = 0.0035587 k( 22) = ( 0.3750000 0.1691364 -0.1756120), wk = 0.0035587 k( 23) = ( 0.3928571 0.1771905 -0.1839745), wk = 0.0035587 k( 24) = ( 0.4107143 0.1852446 -0.1923370), wk = 0.0035587 k( 25) = ( 0.4285714 0.1932987 -0.2006994), wk = 0.0035587 k( 26) = ( 0.4464286 0.2013528 -0.2090619), wk = 0.0035587 k( 27) = ( 0.4642857 0.2094069 -0.2174244), wk = 0.0035587 k( 28) = ( 0.4821429 0.2174611 -0.2257869), wk = 0.0035587 k( 29) = ( 0.5000000 0.2255152 -0.2341493), wk = 0.0035587 k( 30) = ( 0.5000000 0.2255152 -0.2341493), wk = 0.0035587 k( 31) = ( 0.5075287 0.2289108 -0.2148022), wk = 0.0035587 k( 32) = ( 0.5150574 0.2323065 -0.1954551), wk = 0.0035587 k( 33) = ( 0.5225861 0.2357022 -0.1761079), wk = 0.0035587 k( 34) = ( 0.5301148 0.2390978 -0.1567608), wk = 0.0035587 k( 35) = ( 0.5376435 0.2424935 -0.1374136), wk = 0.0035587 k( 36) = ( 0.5451721 0.2458892 -0.1180665), wk = 0.0035587 k( 37) = ( 0.5527008 0.2492848 -0.0987194), wk = 0.0035587 k( 38) = ( 0.5602295 0.2526805 -0.0793722), wk = 0.0035587 k( 39) = ( 0.5677582 0.2560762 -0.0600251), wk = 0.0035587 k( 40) = ( 0.5752869 0.2594718 -0.0406779), wk = 0.0035587 k( 41) = ( 0.5828156 0.2628675 -0.0213308), wk = 0.0035587 k( 42) = ( 0.5903443 0.2662632 -0.0019837), wk = 0.0035587 k( 43) = ( 0.5978730 0.2696588 0.0173635), wk = 0.0035587 k( 44) = ( 0.6054017 0.2730545 0.0367106), wk = 0.0035587 k( 45) = ( 0.6129303 0.2764502 0.0560578), wk = 0.0035587 k( 46) = ( 0.6204590 0.2798459 0.0754049), wk = 0.0035587 k( 47) = ( 0.6279877 0.2832415 0.0947520), wk = 0.0035587 k( 48) = ( 0.6355164 0.2866372 0.1140992), wk = 0.0035587 k( 49) = ( 0.6430451 0.2900329 0.1334463), wk = 0.0035587 k( 50) = ( 0.6505738 0.2934285 0.1527934), wk = 0.0035587 k( 51) = ( 0.6581025 0.2968242 0.1721406), wk = 0.0035587 k( 52) = ( 0.6656312 0.3002199 0.1914877), wk = 0.0035587 k( 53) = ( 0.6656312 0.3002199 0.1914877), wk = 0.0035587 k( 54) = ( 0.6538004 0.2948838 0.2082127), wk = 0.0035587 k( 55) = ( 0.6419696 0.2895478 0.2249376), wk = 0.0035587 k( 56) = ( 0.6301388 0.2842117 0.2416626), wk = 0.0035587 k( 57) = ( 0.6183080 0.2788757 0.2583875), wk = 0.0035587 k( 58) = ( 0.6064772 0.2735396 0.2751125), wk = 0.0035587 k( 59) = ( 0.5946464 0.2682036 0.2918374), wk = 0.0035587 k( 60) = ( 0.5828156 0.2628675 0.3085624), wk = 0.0035587 k( 61) = ( 0.5709848 0.2575315 0.3252873), wk = 0.0035587 k( 62) = ( 0.5591540 0.2521954 0.3420123), wk = 0.0035587 k( 63) = ( 0.5473232 0.2468594 0.3587372), wk = 0.0035587 k( 64) = ( 0.5354924 0.2415233 0.3754622), wk = 0.0035587 k( 65) = ( 0.5236616 0.2361873 0.3921871), wk = 0.0035587 k( 66) = ( 0.5118308 0.2308512 0.4089121), wk = 0.0035587 k( 67) = ( 0.5000000 0.2255152 0.4256371), wk = 0.0035587 k( 68) = ( 0.5000000 0.2255152 0.4256371), wk = 0.0035587 k( 69) = ( 0.5086466 0.2063444 0.4256371), wk = 0.0035587 k( 70) = ( 0.5172932 0.1871736 0.4256371), wk = 0.0035587 k( 71) = ( 0.5259398 0.1680029 0.4256371), wk = 0.0035587 k( 72) = ( 0.5345864 0.1488321 0.4256371), wk = 0.0035587 k( 73) = ( 0.5432330 0.1296613 0.4256371), wk = 0.0035587 k( 74) = ( 0.5518796 0.1104905 0.4256371), wk = 0.0035587 k( 75) = ( 0.5605262 0.0913198 0.4256371), wk = 0.0035587 k( 76) = ( 0.5691728 0.0721490 0.4256371), wk = 0.0035587 k( 77) = ( 0.5778194 0.0529782 0.4256371), wk = 0.0035587 k( 78) = ( 0.5864660 0.0338074 0.4256371), wk = 0.0035587 k( 79) = ( 0.5951126 0.0146367 0.4256371), wk = 0.0035587 k( 80) = ( 0.6037592 -0.0045341 0.4256371), wk = 0.0035587 k( 81) = ( 0.6124058 -0.0237049 0.4256371), wk = 0.0035587 k( 82) = ( 0.6210524 -0.0428756 0.4256371), wk = 0.0035587 k( 83) = ( 0.6296990 -0.0620464 0.4256371), wk = 0.0035587 k( 84) = ( 0.6383456 -0.0812172 0.4256371), wk = 0.0035587 k( 85) = ( 0.6469922 -0.1003880 0.4256371), wk = 0.0035587 k( 86) = ( 0.6556388 -0.1195587 0.4256371), wk = 0.0035587 k( 87) = ( 0.6642854 -0.1387295 0.4256371), wk = 0.0035587 k( 88) = ( 0.6729320 -0.1579003 0.4256371), wk = 0.0035587 k( 89) = ( 0.6815786 -0.1770710 0.4256371), wk = 0.0035587 k( 90) = ( 0.6902252 -0.1962418 0.4256371), wk = 0.0035587 k( 91) = ( 0.6988718 -0.2154126 0.4256371), wk = 0.0035587 k( 92) = ( 0.7075184 -0.2345834 0.4256371), wk = 0.0035587 k( 93) = ( 0.7161650 -0.2537541 0.4256371), wk = 0.0035587 k( 94) = ( 0.7248116 -0.2729249 0.4256371), wk = 0.0035587 k( 95) = ( 0.7334582 -0.2920957 0.4256371), wk = 0.0035587 k( 96) = ( 0.7421048 -0.3112665 0.4256371), wk = 0.0035587 k( 97) = ( 0.2578952 -0.5717912 0.6597864), wk = 0.0035587 k( 98) = ( 0.2492987 -0.5527315 0.6597864), wk = 0.0035587 k( 99) = ( 0.2407022 -0.5336718 0.6597864), wk = 0.0035587 k( 100) = ( 0.2321057 -0.5146121 0.6597864), wk = 0.0035587 k( 101) = ( 0.2235092 -0.4955524 0.6597864), wk = 0.0035587 k( 102) = ( 0.2149127 -0.4764927 0.6597864), wk = 0.0035587 k( 103) = ( 0.2063162 -0.4574330 0.6597864), wk = 0.0035587 k( 104) = ( 0.1977196 -0.4383733 0.6597864), wk = 0.0035587 k( 105) = ( 0.1891231 -0.4193136 0.6597864), wk = 0.0035587 k( 106) = ( 0.1805266 -0.4002539 0.6597864), wk = 0.0035587 k( 107) = ( 0.1719301 -0.3811942 0.6597864), wk = 0.0035587 k( 108) = ( 0.1633336 -0.3621345 0.6597864), wk = 0.0035587 k( 109) = ( 0.1547371 -0.3430747 0.6597864), wk = 0.0035587 k( 110) = ( 0.1461406 -0.3240150 0.6597864), wk = 0.0035587 k( 111) = ( 0.1375441 -0.3049553 0.6597864), wk = 0.0035587 k( 112) = ( 0.1289476 -0.2858956 0.6597864), wk = 0.0035587 k( 113) = ( 0.1203511 -0.2668359 0.6597864), wk = 0.0035587 k( 114) = ( 0.1117546 -0.2477762 0.6597864), wk = 0.0035587 k( 115) = ( 0.1031581 -0.2287165 0.6597864), wk = 0.0035587 k( 116) = ( 0.0945616 -0.2096568 0.6597864), wk = 0.0035587 k( 117) = ( 0.0859651 -0.1905971 0.6597864), wk = 0.0035587 k( 118) = ( 0.0773686 -0.1715374 0.6597864), wk = 0.0035587 k( 119) = ( 0.0687721 -0.1524777 0.6597864), wk = 0.0035587 k( 120) = ( 0.0601756 -0.1334180 0.6597864), wk = 0.0035587 k( 121) = ( 0.0515790 -0.1143582 0.6597864), wk = 0.0035587 k( 122) = ( 0.0429825 -0.0952985 0.6597864), wk = 0.0035587 k( 123) = ( 0.0343860 -0.0762388 0.6597864), wk = 0.0035587 k( 124) = ( 0.0257895 -0.0571791 0.6597864), wk = 0.0035587 k( 125) = ( 0.0171930 -0.0381194 0.6597864), wk = 0.0035587 k( 126) = ( 0.0085965 -0.0190597 0.6597864), wk = 0.0035587 k( 127) = ( 0.0000000 0.0000000 0.6597864), wk = 0.0035587 k( 128) = ( 0.0000000 0.0000000 0.6597864), wk = 0.0035587 k( 129) = ( 0.0185761 0.0083784 0.6597864), wk = 0.0035587 k( 130) = ( 0.0371521 0.0167567 0.6597864), wk = 0.0035587 k( 131) = ( 0.0557281 0.0251351 0.6597864), wk = 0.0035587 k( 132) = ( 0.0743042 0.0335134 0.6597864), wk = 0.0035587 k( 133) = ( 0.0928802 0.0418918 0.6597864), wk = 0.0035587 k( 134) = ( 0.1114563 0.0502702 0.6597864), wk = 0.0035587 k( 135) = ( 0.1300323 0.0586485 0.6597864), wk = 0.0035587 k( 136) = ( 0.1486084 0.0670269 0.6597864), wk = 0.0035587 k( 137) = ( 0.1671844 0.0754052 0.6597864), wk = 0.0035587 k( 138) = ( 0.1857604 0.0837836 0.6597864), wk = 0.0035587 k( 139) = ( 0.2043365 0.0921620 0.6597864), wk = 0.0035587 k( 140) = ( 0.2229125 0.1005403 0.6597864), wk = 0.0035587 k( 141) = ( 0.2414886 0.1089187 0.6597864), wk = 0.0035587 k( 142) = ( 0.2600646 0.1172970 0.6597864), wk = 0.0035587 k( 143) = ( 0.2786407 0.1256754 0.6597864), wk = 0.0035587 k( 144) = ( 0.2972167 0.1340538 0.6597864), wk = 0.0035587 k( 145) = ( 0.3157928 0.1424321 0.6597864), wk = 0.0035587 k( 146) = ( 0.3343688 0.1508105 0.6597864), wk = 0.0035587 k( 147) = ( 0.5000000 0.2255152 -0.2341493), wk = 0.0035587 k( 148) = ( 0.5086307 0.2063797 -0.2341493), wk = 0.0035587 k( 149) = ( 0.5172614 0.1872442 -0.2341493), wk = 0.0035587 k( 150) = ( 0.5258921 0.1681087 -0.2341493), wk = 0.0035587 k( 151) = ( 0.5345228 0.1489732 -0.2341493), wk = 0.0035587 k( 152) = ( 0.5431534 0.1298377 -0.2341493), wk = 0.0035587 k( 153) = ( 0.5517841 0.1107022 -0.2341493), wk = 0.0035587 k( 154) = ( 0.5604148 0.0915668 -0.2341493), wk = 0.0035587 k( 155) = ( 0.5690455 0.0724313 -0.2341493), wk = 0.0035587 k( 156) = ( 0.5776762 0.0532958 -0.2341493), wk = 0.0035587 k( 157) = ( 0.5863069 0.0341603 -0.2341493), wk = 0.0035587 k( 158) = ( 0.5949376 0.0150248 -0.2341493), wk = 0.0035587 k( 159) = ( 0.6035682 -0.0041107 -0.2341493), wk = 0.0035587 k( 160) = ( 0.6121989 -0.0232462 -0.2341493), wk = 0.0035587 k( 161) = ( 0.6208296 -0.0423817 -0.2341493), wk = 0.0035587 k( 162) = ( 0.6294603 -0.0615172 -0.2341493), wk = 0.0035587 k( 163) = ( 0.6380910 -0.0806527 -0.2341493), wk = 0.0035587 k( 164) = ( 0.6467217 -0.0997882 -0.2341493), wk = 0.0035587 k( 165) = ( 0.6553524 -0.1189236 -0.2341493), wk = 0.0035587 k( 166) = ( 0.6639830 -0.1380591 -0.2341493), wk = 0.0035587 k( 167) = ( 0.6726137 -0.1571946 -0.2341493), wk = 0.0035587 k( 168) = ( 0.6812444 -0.1763301 -0.2341493), wk = 0.0035587 k( 169) = ( 0.6898751 -0.1954656 -0.2341493), wk = 0.0035587 k( 170) = ( 0.3101249 -0.6875921 0.0000000), wk = 0.0035587 k( 171) = ( 0.3015103 -0.6684923 0.0000000), wk = 0.0035587 k( 172) = ( 0.2928957 -0.6493925 0.0000000), wk = 0.0035587 k( 173) = ( 0.2842812 -0.6302928 0.0000000), wk = 0.0035587 k( 174) = ( 0.2756666 -0.6111930 0.0000000), wk = 0.0035587 k( 175) = ( 0.2670520 -0.5920932 0.0000000), wk = 0.0035587 k( 176) = ( 0.2584374 -0.5729934 0.0000000), wk = 0.0035587 k( 177) = ( 0.2498228 -0.5538936 0.0000000), wk = 0.0035587 k( 178) = ( 0.2412083 -0.5347939 0.0000000), wk = 0.0035587 k( 179) = ( 0.2325937 -0.5156941 0.0000000), wk = 0.0035587 k( 180) = ( 0.2239791 -0.4965943 0.0000000), wk = 0.0035587 k( 181) = ( 0.2153645 -0.4774945 0.0000000), wk = 0.0035587 k( 182) = ( 0.2067499 -0.4583947 0.0000000), wk = 0.0035587 k( 183) = ( 0.1981353 -0.4392949 0.0000000), wk = 0.0035587 k( 184) = ( 0.1895208 -0.4201952 0.0000000), wk = 0.0035587 k( 185) = ( 0.1809062 -0.4010954 0.0000000), wk = 0.0035587 k( 186) = ( 0.1722916 -0.3819956 0.0000000), wk = 0.0035587 k( 187) = ( 0.1636770 -0.3628958 0.0000000), wk = 0.0035587 k( 188) = ( 0.1550624 -0.3437961 0.0000000), wk = 0.0035587 k( 189) = ( 0.1464479 -0.3246963 0.0000000), wk = 0.0035587 k( 190) = ( 0.1378333 -0.3055965 0.0000000), wk = 0.0035587 k( 191) = ( 0.1292187 -0.2864967 0.0000000), wk = 0.0035587 k( 192) = ( 0.1206041 -0.2673969 0.0000000), wk = 0.0035587 k( 193) = ( 0.1119895 -0.2482972 0.0000000), wk = 0.0035587 k( 194) = ( 0.1033750 -0.2291974 0.0000000), wk = 0.0035587 k( 195) = ( 0.0947604 -0.2100976 0.0000000), wk = 0.0035587 k( 196) = ( 0.0861458 -0.1909978 0.0000000), wk = 0.0035587 k( 197) = ( 0.0775312 -0.1718980 0.0000000), wk = 0.0035587 k( 198) = ( 0.0689166 -0.1527982 0.0000000), wk = 0.0035587 k( 199) = ( 0.0603021 -0.1336985 0.0000000), wk = 0.0035587 k( 200) = ( 0.0516875 -0.1145987 0.0000000), wk = 0.0035587 k( 201) = ( 0.0430729 -0.0954989 0.0000000), wk = 0.0035587 k( 202) = ( 0.0344583 -0.0763991 0.0000000), wk = 0.0035587 k( 203) = ( 0.0258437 -0.0572993 0.0000000), wk = 0.0035587 k( 204) = ( 0.0172292 -0.0381996 0.0000000), wk = 0.0035587 k( 205) = ( 0.0086146 -0.0190998 0.0000000), wk = 0.0035587 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 208) = ( 0.0156250 -0.0137978 -0.0036586), wk = 0.0035587 k( 209) = ( 0.0312500 -0.0275956 -0.0073172), wk = 0.0035587 k( 210) = ( 0.0468750 -0.0413933 -0.0109758), wk = 0.0035587 k( 211) = ( 0.0625000 -0.0551911 -0.0146343), wk = 0.0035587 k( 212) = ( 0.0781250 -0.0689889 -0.0182929), wk = 0.0035587 k( 213) = ( 0.0937500 -0.0827867 -0.0219515), wk = 0.0035587 k( 214) = ( 0.1093750 -0.0965844 -0.0256101), wk = 0.0035587 k( 215) = ( 0.1250000 -0.1103822 -0.0292687), wk = 0.0035587 k( 216) = ( 0.1406250 -0.1241800 -0.0329273), wk = 0.0035587 k( 217) = ( 0.1562500 -0.1379778 -0.0365858), wk = 0.0035587 k( 218) = ( 0.1718750 -0.1517755 -0.0402444), wk = 0.0035587 k( 219) = ( 0.1875000 -0.1655733 -0.0439030), wk = 0.0035587 k( 220) = ( 0.2031250 -0.1793711 -0.0475616), wk = 0.0035587 k( 221) = ( 0.2187500 -0.1931689 -0.0512202), wk = 0.0035587 k( 222) = ( 0.2343750 -0.2069666 -0.0548788), wk = 0.0035587 k( 223) = ( 0.2500000 -0.2207644 -0.0585373), wk = 0.0035587 k( 224) = ( 0.2656250 -0.2345622 -0.0621959), wk = 0.0035587 k( 225) = ( 0.2812500 -0.2483600 -0.0658545), wk = 0.0035587 k( 226) = ( 0.2968750 -0.2621578 -0.0695131), wk = 0.0035587 k( 227) = ( 0.3125000 -0.2759555 -0.0731717), wk = 0.0035587 k( 228) = ( 0.3281250 -0.2897533 -0.0768303), wk = 0.0035587 k( 229) = ( 0.3437500 -0.3035511 -0.0804888), wk = 0.0035587 k( 230) = ( 0.3593750 -0.3173489 -0.0841474), wk = 0.0035587 k( 231) = ( 0.3750000 -0.3311466 -0.0878060), wk = 0.0035587 k( 232) = ( 0.3906250 -0.3449444 -0.0914646), wk = 0.0035587 k( 233) = ( 0.4062500 -0.3587422 -0.0951232), wk = 0.0035587 k( 234) = ( 0.4218750 -0.3725400 -0.0987818), wk = 0.0035587 k( 235) = ( 0.4375000 -0.3863377 -0.1024403), wk = 0.0035587 k( 236) = ( 0.4531250 -0.4001355 -0.1060989), wk = 0.0035587 k( 237) = ( 0.4687500 -0.4139333 -0.1097575), wk = 0.0035587 k( 238) = ( 0.4843750 -0.4277311 -0.1134161), wk = 0.0035587 k( 239) = ( 0.5000000 -0.4415289 -0.1170747), wk = 0.0035587 k( 240) = ( 0.5000000 -0.4415289 0.5427117), wk = 0.0035587 k( 241) = ( 0.4878049 -0.4307599 0.5294749), wk = 0.0035587 k( 242) = ( 0.4756098 -0.4199909 0.5162380), wk = 0.0035587 k( 243) = ( 0.4634146 -0.4092219 0.5030011), wk = 0.0035587 k( 244) = ( 0.4512195 -0.3984529 0.4897642), wk = 0.0035587 k( 245) = ( 0.4390244 -0.3876839 0.4765274), wk = 0.0035587 k( 246) = ( 0.4268293 -0.3769149 0.4632905), wk = 0.0035587 k( 247) = ( 0.4146341 -0.3661459 0.4500536), wk = 0.0035587 k( 248) = ( 0.4024390 -0.3553769 0.4368167), wk = 0.0035587 k( 249) = ( 0.3902439 -0.3446079 0.4235799), wk = 0.0035587 k( 250) = ( 0.3780488 -0.3338389 0.4103430), wk = 0.0035587 k( 251) = ( 0.3658537 -0.3230699 0.3971061), wk = 0.0035587 k( 252) = ( 0.3536585 -0.3123009 0.3838693), wk = 0.0035587 k( 253) = ( 0.3414634 -0.3015319 0.3706324), wk = 0.0035587 k( 254) = ( 0.3292683 -0.2907629 0.3573955), wk = 0.0035587 k( 255) = ( 0.3170732 -0.2799939 0.3441587), wk = 0.0035587 k( 256) = ( 0.3048781 -0.2692249 0.3309218), wk = 0.0035587 k( 257) = ( 0.2926829 -0.2584559 0.3176849), wk = 0.0035587 k( 258) = ( 0.2804878 -0.2476869 0.3044480), wk = 0.0035587 k( 259) = ( 0.2682927 -0.2369179 0.2912112), wk = 0.0035587 k( 260) = ( 0.2560976 -0.2261489 0.2779743), wk = 0.0035587 k( 261) = ( 0.2439024 -0.2153799 0.2647374), wk = 0.0035587 k( 262) = ( 0.2317073 -0.2046109 0.2515006), wk = 0.0035587 k( 263) = ( 0.2195122 -0.1938419 0.2382637), wk = 0.0035587 k( 264) = ( 0.2073171 -0.1830729 0.2250268), wk = 0.0035587 k( 265) = ( 0.1951219 -0.1723039 0.2117899), wk = 0.0035587 k( 266) = ( 0.1829268 -0.1615349 0.1985531), wk = 0.0035587 k( 267) = ( 0.1707317 -0.1507660 0.1853162), wk = 0.0035587 k( 268) = ( 0.1585366 -0.1399970 0.1720793), wk = 0.0035587 k( 269) = ( 0.1463415 -0.1292280 0.1588425), wk = 0.0035587 k( 270) = ( 0.1341463 -0.1184590 0.1456056), wk = 0.0035587 k( 271) = ( 0.1219512 -0.1076900 0.1323687), wk = 0.0035587 k( 272) = ( 0.1097561 -0.0969210 0.1191318), wk = 0.0035587 k( 273) = ( 0.0975610 -0.0861520 0.1058950), wk = 0.0035587 k( 274) = ( 0.0853658 -0.0753830 0.0926581), wk = 0.0035587 k( 275) = ( 0.0731707 -0.0646140 0.0794212), wk = 0.0035587 k( 276) = ( 0.0609756 -0.0538450 0.0661844), wk = 0.0035587 k( 277) = ( 0.0487805 -0.0430760 0.0529475), wk = 0.0035587 k( 278) = ( 0.0365854 -0.0323070 0.0397106), wk = 0.0035587 k( 279) = ( 0.0243902 -0.0215380 0.0264737), wk = 0.0035587 k( 280) = ( 0.0121951 -0.0107690 0.0132369), wk = 0.0035587 k( 281) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 2) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0035587 k( 3) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0035587 k( 4) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0035587 k( 5) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0035587 k( 6) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0035587 k( 7) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0035587 k( 8) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0035587 k( 9) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0035587 k( 10) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0035587 k( 11) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0035587 k( 12) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0035587 k( 13) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0035587 k( 14) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0035587 k( 15) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0035587 k( 16) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0035587 k( 17) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0035587 k( 18) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0035587 k( 19) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0035587 k( 20) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0035587 k( 21) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0035587 k( 22) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0035587 k( 23) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0035587 k( 24) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0035587 k( 25) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0035587 k( 26) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0035587 k( 27) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0035587 k( 28) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0035587 k( 29) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035587 k( 30) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035587 k( 31) = ( 0.5075287 0.5075287 0.0173335), wk = 0.0035587 k( 32) = ( 0.5150574 0.5150574 0.0346670), wk = 0.0035587 k( 33) = ( 0.5225861 0.5225861 0.0520005), wk = 0.0035587 k( 34) = ( 0.5301148 0.5301148 0.0693340), wk = 0.0035587 k( 35) = ( 0.5376435 0.5376435 0.0866675), wk = 0.0035587 k( 36) = ( 0.5451721 0.5451721 0.1040010), wk = 0.0035587 k( 37) = ( 0.5527008 0.5527008 0.1213345), wk = 0.0035587 k( 38) = ( 0.5602295 0.5602295 0.1386680), wk = 0.0035587 k( 39) = ( 0.5677582 0.5677582 0.1560015), wk = 0.0035587 k( 40) = ( 0.5752869 0.5752869 0.1733350), wk = 0.0035587 k( 41) = ( 0.5828156 0.5828156 0.1906685), wk = 0.0035587 k( 42) = ( 0.5903443 0.5903443 0.2080020), wk = 0.0035587 k( 43) = ( 0.5978730 0.5978730 0.2253355), wk = 0.0035587 k( 44) = ( 0.6054017 0.6054017 0.2426690), wk = 0.0035587 k( 45) = ( 0.6129303 0.6129304 0.2600025), wk = 0.0035587 k( 46) = ( 0.6204590 0.6204590 0.2773360), wk = 0.0035587 k( 47) = ( 0.6279877 0.6279877 0.2946695), wk = 0.0035587 k( 48) = ( 0.6355164 0.6355164 0.3120030), wk = 0.0035587 k( 49) = ( 0.6430451 0.6430451 0.3293365), wk = 0.0035587 k( 50) = ( 0.6505738 0.6505738 0.3466700), wk = 0.0035587 k( 51) = ( 0.6581025 0.6581025 0.3640035), wk = 0.0035587 k( 52) = ( 0.6656312 0.6656312 0.3813370), wk = 0.0035587 k( 53) = ( 0.6656312 0.6656312 0.3813370), wk = 0.0035587 k( 54) = ( 0.6538004 0.6538004 0.3898129), wk = 0.0035587 k( 55) = ( 0.6419696 0.6419696 0.3982888), wk = 0.0035587 k( 56) = ( 0.6301388 0.6301388 0.4067648), wk = 0.0035587 k( 57) = ( 0.6183080 0.6183080 0.4152407), wk = 0.0035587 k( 58) = ( 0.6064772 0.6064772 0.4237166), wk = 0.0035587 k( 59) = ( 0.5946464 0.5946464 0.4321926), wk = 0.0035587 k( 60) = ( 0.5828156 0.5828156 0.4406685), wk = 0.0035587 k( 61) = ( 0.5709848 0.5709848 0.4491444), wk = 0.0035587 k( 62) = ( 0.5591540 0.5591540 0.4576204), wk = 0.0035587 k( 63) = ( 0.5473232 0.5473232 0.4660963), wk = 0.0035587 k( 64) = ( 0.5354924 0.5354924 0.4745722), wk = 0.0035587 k( 65) = ( 0.5236616 0.5236616 0.4830481), wk = 0.0035587 k( 66) = ( 0.5118308 0.5118308 0.4915241), wk = 0.0035587 k( 67) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035587 k( 68) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035587 k( 69) = ( 0.5086466 0.4913534 0.5000000), wk = 0.0035587 k( 70) = ( 0.5172932 0.4827068 0.5000000), wk = 0.0035587 k( 71) = ( 0.5259398 0.4740602 0.5000000), wk = 0.0035587 k( 72) = ( 0.5345864 0.4654136 0.5000000), wk = 0.0035587 k( 73) = ( 0.5432330 0.4567670 0.5000000), wk = 0.0035587 k( 74) = ( 0.5518796 0.4481204 0.5000000), wk = 0.0035587 k( 75) = ( 0.5605262 0.4394738 0.5000000), wk = 0.0035587 k( 76) = ( 0.5691728 0.4308272 0.5000000), wk = 0.0035587 k( 77) = ( 0.5778194 0.4221806 0.5000000), wk = 0.0035587 k( 78) = ( 0.5864660 0.4135340 0.5000000), wk = 0.0035587 k( 79) = ( 0.5951126 0.4048874 0.5000000), wk = 0.0035587 k( 80) = ( 0.6037592 0.3962408 0.5000000), wk = 0.0035587 k( 81) = ( 0.6124058 0.3875942 0.5000000), wk = 0.0035587 k( 82) = ( 0.6210524 0.3789476 0.5000000), wk = 0.0035587 k( 83) = ( 0.6296990 0.3703010 0.5000000), wk = 0.0035587 k( 84) = ( 0.6383456 0.3616544 0.5000000), wk = 0.0035587 k( 85) = ( 0.6469922 0.3530078 0.5000000), wk = 0.0035587 k( 86) = ( 0.6556388 0.3443612 0.5000000), wk = 0.0035587 k( 87) = ( 0.6642854 0.3357146 0.5000000), wk = 0.0035587 k( 88) = ( 0.6729320 0.3270680 0.5000000), wk = 0.0035587 k( 89) = ( 0.6815786 0.3184214 0.5000000), wk = 0.0035587 k( 90) = ( 0.6902252 0.3097748 0.5000000), wk = 0.0035587 k( 91) = ( 0.6988718 0.3011282 0.5000000), wk = 0.0035587 k( 92) = ( 0.7075184 0.2924816 0.5000000), wk = 0.0035587 k( 93) = ( 0.7161650 0.2838350 0.5000000), wk = 0.0035587 k( 94) = ( 0.7248116 0.2751884 0.5000000), wk = 0.0035587 k( 95) = ( 0.7334582 0.2665418 0.5000000), wk = 0.0035587 k( 96) = ( 0.7421048 0.2578952 0.5000000), wk = 0.0035587 k( 97) = ( 0.2578952 -0.2578952 0.5000000), wk = 0.0035587 k( 98) = ( 0.2492987 -0.2492987 0.5000000), wk = 0.0035587 k( 99) = ( 0.2407022 -0.2407022 0.5000000), wk = 0.0035587 k( 100) = ( 0.2321057 -0.2321057 0.5000000), wk = 0.0035587 k( 101) = ( 0.2235092 -0.2235092 0.5000000), wk = 0.0035587 k( 102) = ( 0.2149127 -0.2149127 0.5000000), wk = 0.0035587 k( 103) = ( 0.2063162 -0.2063162 0.5000000), wk = 0.0035587 k( 104) = ( 0.1977196 -0.1977196 0.5000000), wk = 0.0035587 k( 105) = ( 0.1891231 -0.1891231 0.5000000), wk = 0.0035587 k( 106) = ( 0.1805266 -0.1805266 0.5000000), wk = 0.0035587 k( 107) = ( 0.1719301 -0.1719301 0.5000000), wk = 0.0035587 k( 108) = ( 0.1633336 -0.1633336 0.5000000), wk = 0.0035587 k( 109) = ( 0.1547371 -0.1547371 0.5000000), wk = 0.0035587 k( 110) = ( 0.1461406 -0.1461406 0.5000000), wk = 0.0035587 k( 111) = ( 0.1375441 -0.1375441 0.5000000), wk = 0.0035587 k( 112) = ( 0.1289476 -0.1289476 0.5000000), wk = 0.0035587 k( 113) = ( 0.1203511 -0.1203511 0.5000000), wk = 0.0035587 k( 114) = ( 0.1117546 -0.1117546 0.5000000), wk = 0.0035587 k( 115) = ( 0.1031581 -0.1031581 0.5000000), wk = 0.0035587 k( 116) = ( 0.0945616 -0.0945616 0.5000000), wk = 0.0035587 k( 117) = ( 0.0859651 -0.0859651 0.5000000), wk = 0.0035587 k( 118) = ( 0.0773686 -0.0773686 0.5000000), wk = 0.0035587 k( 119) = ( 0.0687721 -0.0687721 0.5000000), wk = 0.0035587 k( 120) = ( 0.0601756 -0.0601755 0.5000000), wk = 0.0035587 k( 121) = ( 0.0515790 -0.0515790 0.5000000), wk = 0.0035587 k( 122) = ( 0.0429825 -0.0429825 0.5000000), wk = 0.0035587 k( 123) = ( 0.0343860 -0.0343860 0.5000000), wk = 0.0035587 k( 124) = ( 0.0257895 -0.0257895 0.5000000), wk = 0.0035587 k( 125) = ( 0.0171930 -0.0171930 0.5000000), wk = 0.0035587 k( 126) = ( 0.0085965 -0.0085965 0.5000000), wk = 0.0035587 k( 127) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 129) = ( 0.0185761 0.0185761 0.5065924), wk = 0.0035587 k( 130) = ( 0.0371521 0.0371521 0.5131848), wk = 0.0035587 k( 131) = ( 0.0557281 0.0557281 0.5197772), wk = 0.0035587 k( 132) = ( 0.0743042 0.0743042 0.5263696), wk = 0.0035587 k( 133) = ( 0.0928802 0.0928802 0.5329619), wk = 0.0035587 k( 134) = ( 0.1114563 0.1114563 0.5395543), wk = 0.0035587 k( 135) = ( 0.1300323 0.1300323 0.5461467), wk = 0.0035587 k( 136) = ( 0.1486084 0.1486084 0.5527391), wk = 0.0035587 k( 137) = ( 0.1671844 0.1671844 0.5593315), wk = 0.0035587 k( 138) = ( 0.1857604 0.1857604 0.5659239), wk = 0.0035587 k( 139) = ( 0.2043365 0.2043365 0.5725163), wk = 0.0035587 k( 140) = ( 0.2229125 0.2229125 0.5791087), wk = 0.0035587 k( 141) = ( 0.2414886 0.2414886 0.5857011), wk = 0.0035587 k( 142) = ( 0.2600646 0.2600646 0.5922934), wk = 0.0035587 k( 143) = ( 0.2786407 0.2786407 0.5988858), wk = 0.0035587 k( 144) = ( 0.2972167 0.2972167 0.6054782), wk = 0.0035587 k( 145) = ( 0.3157928 0.3157928 0.6120706), wk = 0.0035587 k( 146) = ( 0.3343688 0.3343688 0.6186630), wk = 0.0035587 k( 147) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035587 k( 148) = ( 0.5086307 0.4913693 0.0000000), wk = 0.0035587 k( 149) = ( 0.5172614 0.4827386 0.0000000), wk = 0.0035587 k( 150) = ( 0.5258921 0.4741079 0.0000000), wk = 0.0035587 k( 151) = ( 0.5345228 0.4654772 0.0000000), wk = 0.0035587 k( 152) = ( 0.5431534 0.4568466 0.0000000), wk = 0.0035587 k( 153) = ( 0.5517841 0.4482159 0.0000000), wk = 0.0035587 k( 154) = ( 0.5604148 0.4395852 0.0000000), wk = 0.0035587 k( 155) = ( 0.5690455 0.4309545 0.0000000), wk = 0.0035587 k( 156) = ( 0.5776762 0.4223238 0.0000000), wk = 0.0035587 k( 157) = ( 0.5863069 0.4136931 0.0000000), wk = 0.0035587 k( 158) = ( 0.5949376 0.4050625 0.0000000), wk = 0.0035587 k( 159) = ( 0.6035682 0.3964318 0.0000000), wk = 0.0035587 k( 160) = ( 0.6121989 0.3878011 0.0000000), wk = 0.0035587 k( 161) = ( 0.6208296 0.3791704 0.0000000), wk = 0.0035587 k( 162) = ( 0.6294603 0.3705397 0.0000000), wk = 0.0035587 k( 163) = ( 0.6380910 0.3619090 0.0000000), wk = 0.0035587 k( 164) = ( 0.6467217 0.3532783 0.0000000), wk = 0.0035587 k( 165) = ( 0.6553524 0.3446477 0.0000000), wk = 0.0035587 k( 166) = ( 0.6639830 0.3360170 0.0000000), wk = 0.0035587 k( 167) = ( 0.6726137 0.3273863 0.0000000), wk = 0.0035587 k( 168) = ( 0.6812444 0.3187556 0.0000000), wk = 0.0035587 k( 169) = ( 0.6898751 0.3101249 -0.0000000), wk = 0.0035587 k( 170) = ( 0.3101249 -0.3101249 0.0000000), wk = 0.0035587 k( 171) = ( 0.3015103 -0.3015103 -0.0000000), wk = 0.0035587 k( 172) = ( 0.2928957 -0.2928957 -0.0000000), wk = 0.0035587 k( 173) = ( 0.2842812 -0.2842812 0.0000000), wk = 0.0035587 k( 174) = ( 0.2756666 -0.2756666 0.0000000), wk = 0.0035587 k( 175) = ( 0.2670520 -0.2670520 -0.0000000), wk = 0.0035587 k( 176) = ( 0.2584374 -0.2584374 0.0000000), wk = 0.0035587 k( 177) = ( 0.2498228 -0.2498228 0.0000000), wk = 0.0035587 k( 178) = ( 0.2412083 -0.2412083 0.0000000), wk = 0.0035587 k( 179) = ( 0.2325937 -0.2325937 0.0000000), wk = 0.0035587 k( 180) = ( 0.2239791 -0.2239791 0.0000000), wk = 0.0035587 k( 181) = ( 0.2153645 -0.2153645 0.0000000), wk = 0.0035587 k( 182) = ( 0.2067499 -0.2067499 0.0000000), wk = 0.0035587 k( 183) = ( 0.1981353 -0.1981353 0.0000000), wk = 0.0035587 k( 184) = ( 0.1895208 -0.1895208 0.0000000), wk = 0.0035587 k( 185) = ( 0.1809062 -0.1809062 -0.0000000), wk = 0.0035587 k( 186) = ( 0.1722916 -0.1722916 0.0000000), wk = 0.0035587 k( 187) = ( 0.1636770 -0.1636770 0.0000000), wk = 0.0035587 k( 188) = ( 0.1550624 -0.1550625 0.0000000), wk = 0.0035587 k( 189) = ( 0.1464479 -0.1464479 -0.0000000), wk = 0.0035587 k( 190) = ( 0.1378333 -0.1378333 0.0000000), wk = 0.0035587 k( 191) = ( 0.1292187 -0.1292187 0.0000000), wk = 0.0035587 k( 192) = ( 0.1206041 -0.1206041 0.0000000), wk = 0.0035587 k( 193) = ( 0.1119895 -0.1119896 0.0000000), wk = 0.0035587 k( 194) = ( 0.1033750 -0.1033750 0.0000000), wk = 0.0035587 k( 195) = ( 0.0947604 -0.0947604 0.0000000), wk = 0.0035587 k( 196) = ( 0.0861458 -0.0861458 -0.0000000), wk = 0.0035587 k( 197) = ( 0.0775312 -0.0775312 0.0000000), wk = 0.0035587 k( 198) = ( 0.0689166 -0.0689166 0.0000000), wk = 0.0035587 k( 199) = ( 0.0603021 -0.0603021 0.0000000), wk = 0.0035587 k( 200) = ( 0.0516875 -0.0516875 0.0000000), wk = 0.0035587 k( 201) = ( 0.0430729 -0.0430729 0.0000000), wk = 0.0035587 k( 202) = ( 0.0344583 -0.0344583 0.0000000), wk = 0.0035587 k( 203) = ( 0.0258437 -0.0258437 0.0000000), wk = 0.0035587 k( 204) = ( 0.0172292 -0.0172292 0.0000000), wk = 0.0035587 k( 205) = ( 0.0086146 -0.0086146 0.0000000), wk = 0.0035587 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 208) = ( 0.0156250 0.0000000 0.0000000), wk = 0.0035587 k( 209) = ( 0.0312500 0.0000000 0.0000000), wk = 0.0035587 k( 210) = ( 0.0468750 0.0000000 0.0000000), wk = 0.0035587 k( 211) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0035587 k( 212) = ( 0.0781250 0.0000000 0.0000000), wk = 0.0035587 k( 213) = ( 0.0937500 0.0000000 0.0000000), wk = 0.0035587 k( 214) = ( 0.1093750 0.0000000 0.0000000), wk = 0.0035587 k( 215) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0035587 k( 216) = ( 0.1406250 0.0000000 0.0000000), wk = 0.0035587 k( 217) = ( 0.1562500 0.0000000 0.0000000), wk = 0.0035587 k( 218) = ( 0.1718750 0.0000000 0.0000000), wk = 0.0035587 k( 219) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0035587 k( 220) = ( 0.2031250 0.0000000 0.0000000), wk = 0.0035587 k( 221) = ( 0.2187500 0.0000000 0.0000000), wk = 0.0035587 k( 222) = ( 0.2343750 0.0000000 0.0000000), wk = 0.0035587 k( 223) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0035587 k( 224) = ( 0.2656250 0.0000000 0.0000000), wk = 0.0035587 k( 225) = ( 0.2812500 0.0000000 0.0000000), wk = 0.0035587 k( 226) = ( 0.2968750 0.0000000 0.0000000), wk = 0.0035587 k( 227) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0035587 k( 228) = ( 0.3281250 0.0000000 0.0000000), wk = 0.0035587 k( 229) = ( 0.3437500 0.0000000 0.0000000), wk = 0.0035587 k( 230) = ( 0.3593750 0.0000000 0.0000000), wk = 0.0035587 k( 231) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0035587 k( 232) = ( 0.3906250 0.0000000 0.0000000), wk = 0.0035587 k( 233) = ( 0.4062500 0.0000000 0.0000000), wk = 0.0035587 k( 234) = ( 0.4218750 0.0000000 0.0000000), wk = 0.0035587 k( 235) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0035587 k( 236) = ( 0.4531250 0.0000000 0.0000000), wk = 0.0035587 k( 237) = ( 0.4687500 0.0000000 0.0000000), wk = 0.0035587 k( 238) = ( 0.4843750 0.0000000 0.0000000), wk = 0.0035587 k( 239) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035587 k( 240) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035587 k( 241) = ( 0.4878049 0.0000000 0.4878049), wk = 0.0035587 k( 242) = ( 0.4756098 0.0000000 0.4756098), wk = 0.0035587 k( 243) = ( 0.4634146 0.0000000 0.4634146), wk = 0.0035587 k( 244) = ( 0.4512195 0.0000000 0.4512195), wk = 0.0035587 k( 245) = ( 0.4390244 0.0000000 0.4390244), wk = 0.0035587 k( 246) = ( 0.4268293 0.0000000 0.4268293), wk = 0.0035587 k( 247) = ( 0.4146341 0.0000000 0.4146341), wk = 0.0035587 k( 248) = ( 0.4024390 0.0000000 0.4024390), wk = 0.0035587 k( 249) = ( 0.3902439 0.0000000 0.3902439), wk = 0.0035587 k( 250) = ( 0.3780488 0.0000000 0.3780488), wk = 0.0035587 k( 251) = ( 0.3658537 0.0000000 0.3658537), wk = 0.0035587 k( 252) = ( 0.3536585 0.0000000 0.3536585), wk = 0.0035587 k( 253) = ( 0.3414634 0.0000000 0.3414634), wk = 0.0035587 k( 254) = ( 0.3292683 0.0000000 0.3292683), wk = 0.0035587 k( 255) = ( 0.3170732 0.0000000 0.3170732), wk = 0.0035587 k( 256) = ( 0.3048781 0.0000000 0.3048781), wk = 0.0035587 k( 257) = ( 0.2926829 0.0000000 0.2926829), wk = 0.0035587 k( 258) = ( 0.2804878 0.0000000 0.2804878), wk = 0.0035587 k( 259) = ( 0.2682927 0.0000000 0.2682927), wk = 0.0035587 k( 260) = ( 0.2560976 0.0000000 0.2560976), wk = 0.0035587 k( 261) = ( 0.2439024 0.0000000 0.2439024), wk = 0.0035587 k( 262) = ( 0.2317073 0.0000000 0.2317073), wk = 0.0035587 k( 263) = ( 0.2195122 0.0000000 0.2195122), wk = 0.0035587 k( 264) = ( 0.2073171 0.0000000 0.2073171), wk = 0.0035587 k( 265) = ( 0.1951219 0.0000000 0.1951219), wk = 0.0035587 k( 266) = ( 0.1829268 0.0000000 0.1829268), wk = 0.0035587 k( 267) = ( 0.1707317 0.0000000 0.1707317), wk = 0.0035587 k( 268) = ( 0.1585366 0.0000000 0.1585366), wk = 0.0035587 k( 269) = ( 0.1463415 0.0000000 0.1463415), wk = 0.0035587 k( 270) = ( 0.1341463 0.0000000 0.1341463), wk = 0.0035587 k( 271) = ( 0.1219512 0.0000000 0.1219512), wk = 0.0035587 k( 272) = ( 0.1097561 0.0000000 0.1097561), wk = 0.0035587 k( 273) = ( 0.0975610 0.0000000 0.0975610), wk = 0.0035587 k( 274) = ( 0.0853658 0.0000000 0.0853658), wk = 0.0035587 k( 275) = ( 0.0731707 0.0000000 0.0731707), wk = 0.0035587 k( 276) = ( 0.0609756 0.0000000 0.0609756), wk = 0.0035587 k( 277) = ( 0.0487805 0.0000000 0.0487805), wk = 0.0035587 k( 278) = ( 0.0365854 0.0000000 0.0365854), wk = 0.0035587 k( 279) = ( 0.0243902 0.0000000 0.0243902), wk = 0.0035587 k( 280) = ( 0.0121951 0.0000000 0.0121951), wk = 0.0035587 k( 281) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 Dense grid: 165035 G-vectors FFT dimensions: ( 90, 90, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.64 Mb ( 874, 48) NL pseudopotentials 0.56 Mb ( 437, 84) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.03 Mb ( 3438) G-vector shells 0.03 Mb ( 3407) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.56 Mb ( 874, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.12 Mb ( 84, 2, 48) The potential is recalculated from file : ./LiAsSe2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.8 secs Computing kpt #: 2 total cpu time spent up to now is 44.9 secs Computing kpt #: 3 total cpu time spent up to now is 49.2 secs Computing kpt #: 4 total cpu time spent up to now is 53.4 secs Computing kpt #: 5 total cpu time spent up to now is 57.7 secs Computing kpt #: 6 total cpu time spent up to now is 62.7 secs Computing kpt #: 7 total cpu time spent up to now is 67.9 secs Computing kpt #: 8 total cpu time spent up to now is 72.2 secs Computing kpt #: 9 total cpu time spent up to now is 77.0 secs Computing kpt #: 10 total cpu time spent up to now is 81.1 secs Computing kpt #: 11 total cpu time spent up to now is 85.2 secs Computing kpt #: 12 total cpu time spent up to now is 89.2 secs Computing kpt #: 13 total cpu time spent up to now is 93.5 secs Computing kpt #: 14 total cpu time spent up to now is 97.7 secs Computing kpt #: 15 total cpu time spent up to now is 102.0 secs Computing kpt #: 16 total cpu time spent up to now is 106.1 secs Computing kpt #: 17 total cpu time spent up to now is 110.5 secs Computing kpt #: 18 total cpu time spent up to now is 115.4 secs Computing kpt #: 19 total cpu time spent up to now is 120.7 secs Computing kpt #: 20 total cpu time spent up to now is 125.6 secs Computing kpt #: 21 total cpu time spent up to now is 130.6 secs Computing kpt #: 22 total cpu time spent up to now is 135.5 secs Computing kpt #: 23 total cpu time spent up to now is 140.4 secs Computing kpt #: 24 total cpu time spent up to now is 144.9 secs Computing kpt #: 25 total cpu time spent up to now is 149.7 secs Computing kpt #: 26 total cpu time spent up to now is 154.2 secs Computing kpt #: 27 total cpu time spent up to now is 158.4 secs Computing kpt #: 28 total cpu time spent up to now is 162.7 secs Computing kpt #: 29 total cpu time spent up to now is 167.0 secs Computing kpt #: 30 total cpu time spent up to now is 173.7 secs Computing kpt #: 31 total cpu time spent up to now is 178.6 secs Computing kpt #: 32 total cpu time spent up to now is 183.1 secs Computing kpt #: 33 total cpu time spent up to now is 187.3 secs Computing kpt #: 34 total cpu time spent up to now is 191.6 secs Computing kpt #: 35 total cpu time spent up to now is 196.0 secs Computing kpt #: 36 total cpu time spent up to now is 200.5 secs Computing kpt #: 37 total cpu time spent up to now is 205.2 secs Computing kpt #: 38 total cpu time spent up to now is 210.0 secs Computing kpt #: 39 total cpu time spent up to now is 214.4 secs Computing kpt #: 40 total cpu time spent up to now is 218.8 secs Computing kpt #: 41 total cpu time spent up to now is 223.2 secs Computing kpt #: 42 total cpu time spent up to now is 227.7 secs Computing kpt #: 43 total cpu time spent up to now is 232.2 secs Computing kpt #: 44 total cpu time spent up to now is 237.1 secs Computing kpt #: 45 total cpu time spent up to now is 241.6 secs Computing kpt #: 46 total cpu time spent up to now is 246.2 secs Computing kpt #: 47 total cpu time spent up to now is 250.8 secs Computing kpt #: 48 total cpu time spent up to now is 255.4 secs Computing kpt #: 49 total cpu time spent up to now is 260.4 secs Computing kpt #: 50 total cpu time spent up to now is 265.6 secs Computing kpt #: 51 total cpu time spent up to now is 271.0 secs Computing kpt #: 52 total cpu time spent up to now is 276.0 secs Computing kpt #: 53 total cpu time spent up to now is 281.2 secs Computing kpt #: 54 total cpu time spent up to now is 286.4 secs Computing kpt #: 55 total cpu time spent up to now is 291.6 secs Computing kpt #: 56 total cpu time spent up to now is 297.0 secs Computing kpt #: 57 total cpu time spent up to now is 302.2 secs Computing kpt #: 58 total cpu time spent up to now is 307.4 secs Computing kpt #: 59 total cpu time spent up to now is 312.6 secs Computing kpt #: 60 total cpu time spent up to now is 317.7 secs Computing kpt #: 61 total cpu time spent up to now is 322.6 secs Computing kpt #: 62 total cpu time spent up to now is 327.1 secs Computing kpt #: 63 total cpu time spent up to now is 332.2 secs Computing kpt #: 64 total cpu time spent up to now is 336.4 secs Computing kpt #: 65 total cpu time spent up to now is 340.5 secs Computing kpt #: 66 total cpu time spent up to now is 344.6 secs Computing kpt #: 67 total cpu time spent up to now is 348.6 secs Computing kpt #: 68 total cpu time spent up to now is 352.8 secs Computing kpt #: 69 total cpu time spent up to now is 357.1 secs Computing kpt #: 70 total cpu time spent up to now is 361.5 secs Computing kpt #: 71 total cpu time spent up to now is 365.3 secs Computing kpt #: 72 total cpu time spent up to now is 369.4 secs Computing kpt #: 73 total cpu time spent up to now is 373.6 secs Computing kpt #: 74 total cpu time spent up to now is 377.8 secs Computing kpt #: 75 total cpu time spent up to now is 382.3 secs Computing kpt #: 76 total cpu time spent up to now is 386.6 secs Computing kpt #: 77 total cpu time spent up to now is 390.5 secs Computing kpt #: 78 total cpu time spent up to now is 394.8 secs Computing kpt #: 79 total cpu time spent up to now is 399.0 secs Computing kpt #: 80 total cpu time spent up to now is 403.2 secs Computing kpt #: 81 total cpu time spent up to now is 407.4 secs Computing kpt #: 82 total cpu time spent up to now is 411.5 secs Computing kpt #: 83 total cpu time spent up to now is 415.7 secs Computing kpt #: 84 total cpu time spent up to now is 419.8 secs Computing kpt #: 85 total cpu time spent up to now is 423.7 secs Computing kpt #: 86 total cpu time spent up to now is 427.5 secs Computing kpt #: 87 total cpu time spent up to now is 431.1 secs Computing kpt #: 88 total cpu time spent up to now is 434.7 secs Computing kpt #: 89 total cpu time spent up to now is 438.3 secs Computing kpt #: 90 total cpu time spent up to now is 441.8 secs Computing kpt #: 91 total cpu time spent up to now is 445.3 secs Computing kpt #: 92 total cpu time spent up to now is 448.7 secs Computing kpt #: 93 total cpu time spent up to now is 452.9 secs Computing kpt #: 94 total cpu time spent up to now is 456.5 secs Computing kpt #: 95 total cpu time spent up to now is 460.1 secs Computing kpt #: 96 total cpu time spent up to now is 463.5 secs Computing kpt #: 97 total cpu time spent up to now is 466.9 secs Computing kpt #: 98 total cpu time spent up to now is 472.0 secs Computing kpt #: 99 total cpu time spent up to now is 475.5 secs Computing kpt #: 100 total cpu time spent up to now is 479.6 secs Computing kpt #: 101 total cpu time spent up to now is 483.2 secs Computing kpt #: 102 total cpu time spent up to now is 486.7 secs Computing kpt #: 103 total cpu time spent up to now is 490.1 secs Computing kpt #: 104 total cpu time spent up to now is 493.5 secs Computing kpt #: 105 total cpu time spent up to now is 497.0 secs Computing kpt #: 106 total cpu time spent up to now is 501.0 secs Computing kpt #: 107 total cpu time spent up to now is 504.5 secs Computing kpt #: 108 total cpu time spent up to now is 508.1 secs Computing kpt #: 109 total cpu time spent up to now is 511.9 secs Computing kpt #: 110 total cpu time spent up to now is 515.9 secs Computing kpt #: 111 total cpu time spent up to now is 520.2 secs Computing kpt #: 112 total cpu time spent up to now is 524.5 secs Computing kpt #: 113 total cpu time spent up to now is 528.8 secs Computing kpt #: 114 total cpu time spent up to now is 533.0 secs Computing kpt #: 115 total cpu time spent up to now is 537.3 secs Computing kpt #: 116 total cpu time spent up to now is 541.6 secs Computing kpt #: 117 total cpu time spent up to now is 546.0 secs Computing kpt #: 118 total cpu time spent up to now is 550.5 secs Computing kpt #: 119 total cpu time spent up to now is 554.9 secs Computing kpt #: 120 total cpu time spent up to now is 559.2 secs Computing kpt #: 121 total cpu time spent up to now is 563.5 secs Computing kpt #: 122 total cpu time spent up to now is 567.7 secs Computing kpt #: 123 total cpu time spent up to now is 572.1 secs Computing kpt #: 124 total cpu time spent up to now is 576.5 secs Computing kpt #: 125 total cpu time spent up to now is 580.9 secs Computing kpt #: 126 total cpu time spent up to now is 585.1 secs Computing kpt #: 127 total cpu time spent up to now is 589.3 secs Computing kpt #: 128 total cpu time spent up to now is 593.5 secs Computing kpt #: 129 total cpu time spent up to now is 597.7 secs Computing kpt #: 130 total cpu time spent up to now is 601.9 secs Computing kpt #: 131 total cpu time spent up to now is 606.2 secs Computing kpt #: 132 total cpu time spent up to now is 610.9 secs Computing kpt #: 133 total cpu time spent up to now is 615.7 secs Computing kpt #: 134 total cpu time spent up to now is 620.9 secs Computing kpt #: 135 total cpu time spent up to now is 626.1 secs Computing kpt #: 136 total cpu time spent up to now is 631.3 secs Computing kpt #: 137 total cpu time spent up to now is 636.5 secs Computing kpt #: 138 total cpu time spent up to now is 641.5 secs Computing kpt #: 139 total cpu time spent up to now is 646.4 secs Computing kpt #: 140 total cpu time spent up to now is 651.3 secs Computing kpt #: 141 total cpu time spent up to now is 656.2 secs Computing kpt #: 142 total cpu time spent up to now is 661.1 secs Computing kpt #: 143 total cpu time spent up to now is 666.3 secs Computing kpt #: 144 total cpu time spent up to now is 671.2 secs Computing kpt #: 145 total cpu time spent up to now is 676.1 secs Computing kpt #: 146 total cpu time spent up to now is 681.0 secs Computing kpt #: 147 total cpu time spent up to now is 685.2 secs Computing kpt #: 148 total cpu time spent up to now is 689.7 secs Computing kpt #: 149 total cpu time spent up to now is 694.1 secs Computing kpt #: 150 total cpu time spent up to now is 698.4 secs Computing kpt #: 151 total cpu time spent up to now is 702.8 secs Computing kpt #: 152 total cpu time spent up to now is 707.2 secs Computing kpt #: 153 total cpu time spent up to now is 711.6 secs Computing kpt #: 154 total cpu time spent up to now is 716.0 secs Computing kpt #: 155 total cpu time spent up to now is 720.5 secs Computing kpt #: 156 total cpu time spent up to now is 724.9 secs Computing kpt #: 157 total cpu time spent up to now is 729.2 secs Computing kpt #: 158 total cpu time spent up to now is 733.5 secs Computing kpt #: 159 total cpu time spent up to now is 737.9 secs Computing kpt #: 160 total cpu time spent up to now is 742.3 secs Computing kpt #: 161 total cpu time spent up to now is 746.7 secs Computing kpt #: 162 total cpu time spent up to now is 751.2 secs Computing kpt #: 163 total cpu time spent up to now is 755.9 secs Computing kpt #: 164 total cpu time spent up to now is 760.3 secs Computing kpt #: 165 total cpu time spent up to now is 764.7 secs Computing kpt #: 166 total cpu time spent up to now is 769.9 secs Computing kpt #: 167 total cpu time spent up to now is 774.6 secs Computing kpt #: 168 total cpu time spent up to now is 779.0 secs Computing kpt #: 169 total cpu time spent up to now is 783.3 secs Computing kpt #: 170 total cpu time spent up to now is 787.7 secs Computing kpt #: 171 total cpu time spent up to now is 791.9 secs Computing kpt #: 172 total cpu time spent up to now is 796.3 secs Computing kpt #: 173 total cpu time spent up to now is 800.4 secs Computing kpt #: 174 total cpu time spent up to now is 804.7 secs Computing kpt #: 175 total cpu time spent up to now is 808.8 secs Computing kpt #: 176 total cpu time spent up to now is 813.0 secs Computing kpt #: 177 total cpu time spent up to now is 817.3 secs Computing kpt #: 178 total cpu time spent up to now is 821.4 secs Computing kpt #: 179 total cpu time spent up to now is 825.6 secs Computing kpt #: 180 total cpu time spent up to now is 829.7 secs Computing kpt #: 181 total cpu time spent up to now is 834.0 secs Computing kpt #: 182 total cpu time spent up to now is 838.2 secs Computing kpt #: 183 total cpu time spent up to now is 842.3 secs Computing kpt #: 184 total cpu time spent up to now is 846.4 secs Computing kpt #: 185 total cpu time spent up to now is 850.7 secs Computing kpt #: 186 total cpu time spent up to now is 854.9 secs Computing kpt #: 187 total cpu time spent up to now is 858.9 secs Computing kpt #: 188 total cpu time spent up to now is 863.1 secs Computing kpt #: 189 total cpu time spent up to now is 867.3 secs Computing kpt #: 190 total cpu time spent up to now is 871.4 secs Computing kpt #: 191 total cpu time spent up to now is 875.4 secs Computing kpt #: 192 total cpu time spent up to now is 879.7 secs Computing kpt #: 193 total cpu time spent up to now is 884.1 secs Computing kpt #: 194 total cpu time spent up to now is 888.4 secs Computing kpt #: 195 total cpu time spent up to now is 893.1 secs Computing kpt #: 196 total cpu time spent up to now is 897.6 secs Computing kpt #: 197 total cpu time spent up to now is 902.9 secs Computing kpt #: 198 total cpu time spent up to now is 910.8 secs Computing kpt #: 199 total cpu time spent up to now is 916.7 secs Computing kpt #: 200 total cpu time spent up to now is 921.8 secs Computing kpt #: 201 total cpu time spent up to now is 926.3 secs Computing kpt #: 202 total cpu time spent up to now is 930.8 secs Computing kpt #: 203 total cpu time spent up to now is 934.9 secs Computing kpt #: 204 total cpu time spent up to now is 939.2 secs Computing kpt #: 205 total cpu time spent up to now is 943.4 secs Computing kpt #: 206 total cpu time spent up to now is 947.5 secs Computing kpt #: 207 total cpu time spent up to now is 951.7 secs Computing kpt #: 208 total cpu time spent up to now is 955.9 secs Computing kpt #: 209 total cpu time spent up to now is 960.1 secs Computing kpt #: 210 total cpu time spent up to now is 964.4 secs Computing kpt #: 211 total cpu time spent up to now is 968.7 secs Computing kpt #: 212 total cpu time spent up to now is 973.6 secs Computing kpt #: 213 total cpu time spent up to now is 978.7 secs Computing kpt #: 214 total cpu time spent up to now is 984.4 secs Computing kpt #: 215 total cpu time spent up to now is 989.5 secs Computing kpt #: 216 total cpu time spent up to now is 994.2 secs Computing kpt #: 217 total cpu time spent up to now is 998.7 secs Computing kpt #: 218 total cpu time spent up to now is 1003.2 secs Computing kpt #: 219 total cpu time spent up to now is 1007.6 secs Computing kpt #: 220 total cpu time spent up to now is 1012.0 secs Computing kpt #: 221 total cpu time spent up to now is 1016.3 secs Computing kpt #: 222 total cpu time spent up to now is 1020.6 secs Computing kpt #: 223 total cpu time spent up to now is 1024.9 secs Computing kpt #: 224 total cpu time spent up to now is 1029.1 secs Computing kpt #: 225 total cpu time spent up to now is 1033.5 secs Computing kpt #: 226 total cpu time spent up to now is 1037.7 secs Computing kpt #: 227 total cpu time spent up to now is 1042.2 secs Computing kpt #: 228 total cpu time spent up to now is 1047.1 secs Computing kpt #: 229 total cpu time spent up to now is 1051.8 secs Computing kpt #: 230 total cpu time spent up to now is 1056.3 secs Computing kpt #: 231 total cpu time spent up to now is 1060.7 secs Computing kpt #: 232 total cpu time spent up to now is 1065.1 secs Computing kpt #: 233 total cpu time spent up to now is 1070.4 secs Computing kpt #: 234 total cpu time spent up to now is 1075.1 secs Computing kpt #: 235 total cpu time spent up to now is 1079.4 secs Computing kpt #: 236 total cpu time spent up to now is 1084.0 secs Computing kpt #: 237 total cpu time spent up to now is 1088.4 secs Computing kpt #: 238 total cpu time spent up to now is 1092.7 secs Computing kpt #: 239 total cpu time spent up to now is 1097.0 secs Computing kpt #: 240 total cpu time spent up to now is 1101.5 secs Computing kpt #: 241 total cpu time spent up to now is 1106.1 secs Computing kpt #: 242 total cpu time spent up to now is 1110.6 secs Computing kpt #: 243 total cpu time spent up to now is 1115.1 secs Computing kpt #: 244 total cpu time spent up to now is 1119.7 secs Computing kpt #: 245 total cpu time spent up to now is 1124.3 secs Computing kpt #: 246 total cpu time spent up to now is 1128.9 secs Computing kpt #: 247 total cpu time spent up to now is 1133.5 secs Computing kpt #: 248 total cpu time spent up to now is 1138.1 secs Computing kpt #: 249 total cpu time spent up to now is 1143.0 secs Computing kpt #: 250 total cpu time spent up to now is 1147.9 secs Computing kpt #: 251 total cpu time spent up to now is 1152.4 secs Computing kpt #: 252 total cpu time spent up to now is 1156.8 secs Computing kpt #: 253 total cpu time spent up to now is 1161.2 secs Computing kpt #: 254 total cpu time spent up to now is 1165.5 secs Computing kpt #: 255 total cpu time spent up to now is 1169.9 secs Computing kpt #: 256 total cpu time spent up to now is 1174.3 secs Computing kpt #: 257 total cpu time spent up to now is 1178.6 secs Computing kpt #: 258 total cpu time spent up to now is 1183.0 secs Computing kpt #: 259 total cpu time spent up to now is 1187.2 secs Computing kpt #: 260 total cpu time spent up to now is 1191.5 secs Computing kpt #: 261 total cpu time spent up to now is 1195.7 secs Computing kpt #: 262 total cpu time spent up to now is 1200.1 secs Computing kpt #: 263 total cpu time spent up to now is 1204.4 secs Computing kpt #: 264 total cpu time spent up to now is 1208.6 secs Computing kpt #: 265 total cpu time spent up to now is 1213.2 secs Computing kpt #: 266 total cpu time spent up to now is 1217.9 secs Computing kpt #: 267 total cpu time spent up to now is 1222.7 secs Computing kpt #: 268 total cpu time spent up to now is 1227.6 secs Computing kpt #: 269 total cpu time spent up to now is 1232.6 secs Computing kpt #: 270 total cpu time spent up to now is 1237.6 secs Computing kpt #: 271 total cpu time spent up to now is 1242.4 secs Computing kpt #: 272 total cpu time spent up to now is 1248.7 secs Computing kpt #: 273 total cpu time spent up to now is 1255.1 secs Computing kpt #: 274 total cpu time spent up to now is 1260.1 secs Computing kpt #: 275 total cpu time spent up to now is 1265.0 secs Computing kpt #: 276 total cpu time spent up to now is 1269.4 secs Computing kpt #: 277 total cpu time spent up to now is 1274.3 secs Computing kpt #: 278 total cpu time spent up to now is 1278.7 secs Computing kpt #: 279 total cpu time spent up to now is 1282.8 secs Computing kpt #: 280 total cpu time spent up to now is 1287.0 secs Computing kpt #: 281 total cpu time spent up to now is 1291.1 secs ethr = 2.50E-11, avg # of iterations = 35.5 total cpu time spent up to now is 1291.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 20701 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9424 -9.9424 -7.7229 -7.7229 -7.6426 -7.6426 -7.2005 -7.2005 -5.0504 -5.0504 -3.2705 -3.2705 -0.5719 -0.5719 -0.5358 -0.5358 0.2461 0.2461 1.3558 1.3558 1.5686 1.5686 2.0943 2.0943 2.3780 2.3780 2.9869 2.9869 3.4381 3.4381 3.8492 3.8492 4.5351 4.5351 4.7803 4.7803 7.1708 7.1708 7.4722 7.4722 8.6230 8.6230 9.2066 9.2066 k = 0.0179 0.0081-0.0084 ( 20718 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9420 -9.9420 -7.7234 -7.7233 -7.6428 -7.6427 -7.2016 -7.2015 -5.0489 -5.0487 -3.2707 -3.2704 -0.5724 -0.5722 -0.5367 -0.5363 0.2482 0.2506 1.3544 1.3578 1.5682 1.5691 2.0948 2.0969 2.3796 2.3806 2.9853 2.9870 3.4297 3.4338 3.8472 3.8486 4.5325 4.5346 4.7783 4.7787 7.1751 7.1774 7.4778 7.4788 8.6223 8.6250 9.2083 9.2089 k = 0.0357 0.0161-0.0167 ( 20728 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9408 -9.9408 -7.7247 -7.7247 -7.6432 -7.6431 -7.2049 -7.2047 -5.0442 -5.0439 -3.2711 -3.2706 -0.5736 -0.5733 -0.5389 -0.5383 0.2569 0.2618 1.3534 1.3602 1.5680 1.5699 2.0983 2.1025 2.3855 2.3875 2.9821 2.9854 3.4092 3.4173 3.8427 3.8455 4.5267 4.5309 4.7727 4.7734 7.1895 7.1938 7.4962 7.4985 8.6227 8.6283 9.2135 9.2148 k = 0.0536 0.0242-0.0251 ( 20714 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9389 -9.9389 -7.7270 -7.7268 -7.6438 -7.6438 -7.2103 -7.2100 -5.0364 -5.0360 -3.2717 -3.2708 -0.5757 -0.5752 -0.5425 -0.5415 0.2721 0.2794 1.3529 1.3632 1.5679 1.5708 2.1047 2.1111 2.3955 2.3985 2.9768 2.9818 3.3778 3.3900 3.8357 3.8399 4.5178 4.5242 4.7638 4.7648 7.2109 7.2165 7.5292 7.5335 8.6242 8.6326 9.2208 9.2230 k = 0.0714 0.0322-0.0334 ( 20716 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9363 -9.9362 -7.7301 -7.7299 -7.6446 -7.6446 -7.2177 -7.2173 -5.0255 -5.0251 -3.2724 -3.2713 -0.5785 -0.5779 -0.5473 -0.5459 0.2936 0.3033 1.3529 1.3666 1.5680 1.5717 2.1138 2.1225 2.4094 2.4135 2.9688 2.9752 3.3378 3.3538 3.8261 3.8317 4.5062 4.5147 4.7518 4.7530 7.2354 7.2416 7.5789 7.5858 8.6265 8.6379 9.2265 9.2300 k = 0.0893 0.0403-0.0418 ( 20710 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9330 -9.9329 -7.7341 -7.7339 -7.6455 -7.6455 -7.2270 -7.2266 -5.0118 -5.0113 -3.2732 -3.2719 -0.5821 -0.5815 -0.5530 -0.5512 0.3212 0.3334 1.3533 1.3705 1.5681 1.5728 2.1252 2.1365 2.4270 2.4323 2.9566 2.9642 3.2924 3.3120 3.8140 3.8211 4.4919 4.5028 4.7370 4.7385 7.2597 7.2659 7.6462 7.6565 8.6290 8.6438 9.2221 9.2280 k = 0.1071 0.0483-0.0502 ( 20711 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9289 -9.9288 -7.7390 -7.7388 -7.6465 -7.6464 -7.2381 -7.2376 -4.9954 -4.9947 -3.2742 -3.2726 -0.5864 -0.5859 -0.5594 -0.5573 0.3546 0.3695 1.3542 1.3749 1.5682 1.5737 2.1384 2.1526 2.4479 2.4546 2.9386 2.9463 3.2462 3.2684 3.7992 3.8078 4.4754 4.4886 4.7198 4.7215 7.2822 7.2879 7.7300 7.7440 8.6312 8.6496 9.1944 9.2040 k = 0.1250 0.0564-0.0585 ( 20699 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9243 -9.9241 -7.7446 -7.7444 -7.6475 -7.6474 -7.2510 -7.2504 -4.9765 -4.9757 -3.2753 -3.2735 -0.5916 -0.5912 -0.5663 -0.5636 0.3936 0.4111 1.3554 1.3796 1.5682 1.5745 2.1531 2.1705 2.4718 2.4800 2.9125 2.9186 3.2044 3.2275 3.7819 3.7920 4.4570 4.4726 4.7005 4.7025 7.3024 7.3077 7.8272 7.8452 8.6319 8.6545 9.1394 9.1530 k = 0.1429 0.0644-0.0669 ( 20693 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9190 -9.9188 -7.7511 -7.7509 -7.6484 -7.6483 -7.2653 -7.2647 -4.9552 -4.9544 -3.2764 -3.2745 -0.5978 -0.5976 -0.5732 -0.5700 0.4377 0.4580 1.3568 1.3846 1.5680 1.5750 2.1682 2.1894 2.4981 2.5083 2.8769 2.8792 3.1713 3.1932 3.7620 3.7735 4.4370 4.4550 4.6797 4.6818 7.3210 7.3259 7.9334 7.9557 8.6292 8.6568 9.0671 9.0851 k = 0.1607 0.0725-0.0753 ( 20685 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9132 -9.9130 -7.7582 -7.7580 -7.6492 -7.6492 -7.2810 -7.2803 -4.9319 -4.9310 -3.2777 -3.2756 -0.6050 -0.6050 -0.5796 -0.5761 0.4866 0.5099 1.3584 1.3898 1.5676 1.5751 2.1830 2.2085 2.5260 2.5388 2.8296 2.8327 3.1486 3.1675 3.7395 3.7523 4.4159 4.4362 4.6575 4.6597 7.3383 7.3429 8.0435 8.0704 8.6199 8.6531 8.9893 9.0120 k = 0.1786 0.0805-0.0836 ( 20677 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9069 -9.9067 -7.7659 -7.7656 -7.6500 -7.6499 -7.2977 -7.2970 -4.9069 -4.9059 -3.2789 -3.2768 -0.6135 -0.6134 -0.5855 -0.5815 0.5398 0.5663 1.3600 1.3947 1.5668 1.5747 2.1958 2.2265 2.5539 2.5710 2.7751 2.7833 3.1347 3.1501 3.7145 3.7284 4.3939 4.4164 4.6344 4.6367 7.3549 7.3592 8.1511 8.1829 8.5987 8.6369 8.9173 8.9441 k = 0.1964 0.0886-0.0920 ( 20666 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9002 -9.9000 -7.7740 -7.7738 -7.6506 -7.6506 -7.3154 -7.3147 -4.8804 -4.8793 -3.2803 -3.2780 -0.6228 -0.6226 -0.5906 -0.5864 0.5968 0.6267 1.3612 1.3990 1.5660 1.5736 2.2050 2.2413 2.5783 2.6038 2.7246 2.7342 3.1272 3.1392 3.6869 3.7019 4.3714 4.3959 4.6107 4.6130 7.3709 7.3750 8.2480 8.2846 8.5594 8.5984 8.8641 8.8905 k = 0.2143 0.0966-0.1003 ( 20658 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8932 -9.8930 -7.7825 -7.7822 -7.6512 -7.6511 -7.3338 -7.3331 -4.8527 -4.8516 -3.2816 -3.2793 -0.6327 -0.6325 -0.5949 -0.5905 0.6569 0.6906 1.3616 1.4020 1.5653 1.5718 2.2083 2.2501 2.5888 2.6332 2.6939 2.6940 3.1242 3.1332 3.6571 3.6728 4.3488 4.3750 4.5869 4.5891 7.3865 7.3905 8.3245 8.3646 8.4994 8.5341 8.8357 8.8562 k = 0.2321 0.1047-0.1087 ( 20655 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8858 -9.8856 -7.7912 -7.7909 -7.6516 -7.6516 -7.3527 -7.3519 -4.8242 -4.8231 -3.2829 -3.2806 -0.6429 -0.6428 -0.5985 -0.5940 0.7195 0.7574 1.3608 1.4025 1.5655 1.5695 2.2038 2.2493 2.5769 2.6363 2.6894 2.6974 3.1242 3.1308 3.6251 3.6412 4.3264 4.3540 4.5632 4.5652 7.4017 7.4056 8.3677 8.4053 8.4275 8.4591 8.8259 8.8381 k = 0.2500 0.1128-0.1171 ( 20656 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8784 -9.8782 -7.7999 -7.7997 -7.6520 -7.6519 -7.3718 -7.3710 -4.7952 -4.7941 -3.2842 -3.2819 -0.6533 -0.6532 -0.6014 -0.5969 0.7838 0.8263 1.3577 1.3993 1.5672 1.5677 2.1903 2.2362 2.5613 2.6185 2.7175 2.7201 3.1265 3.1311 3.5913 3.6076 4.3045 4.3330 4.5401 4.5418 7.4164 7.4203 8.3235 8.3455 8.4015 8.4410 8.8259 8.8302 k = 0.2679 0.1208-0.1254 ( 20658 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8708 -9.8706 -7.8087 -7.8084 -7.6523 -7.6522 -7.3909 -7.3901 -4.7661 -4.7650 -3.2855 -3.2833 -0.6637 -0.6636 -0.6035 -0.5990 0.8486 0.8962 1.3516 1.3910 1.5657 1.5733 2.1692 2.2118 2.5561 2.6084 2.7475 2.7489 3.1306 3.1334 3.5564 3.5723 4.2833 4.3122 4.5177 4.5191 7.4307 7.4346 8.2340 8.2508 8.3887 8.4246 8.8270 8.8305 k = 0.2857 0.1289-0.1338 ( 20678 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8632 -9.8630 -7.8172 -7.8170 -7.6525 -7.6525 -7.4098 -7.4090 -4.7373 -4.7361 -3.2868 -3.2846 -0.6738 -0.6738 -0.6049 -0.6005 0.9130 0.9660 1.3413 1.3768 1.5666 1.5834 2.1433 2.1805 2.5615 2.6079 2.7746 2.7786 3.1359 3.1373 3.5209 3.5360 4.2631 4.2919 4.4966 4.4975 7.4444 7.4482 8.1413 8.1545 8.3583 8.3895 8.8242 8.8368 k = 0.3036 0.1369-0.1422 ( 20671 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8558 -9.8556 -7.8255 -7.8252 -7.6527 -7.6527 -7.4282 -7.4274 -4.7090 -4.7079 -3.2879 -3.2858 -0.6836 -0.6836 -0.6056 -0.6012 0.9753 1.0340 1.3262 1.3567 1.5713 1.5989 2.1162 2.1477 2.5741 2.6145 2.7991 2.8049 3.1423 3.1426 3.4857 3.4997 4.2440 4.2722 4.4768 4.4772 7.4573 7.4612 8.0499 8.0601 8.3158 8.3425 8.8156 8.8415 k = 0.3214 0.1450-0.1505 ( 20665 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8485 -9.8483 -7.8334 -7.8332 -7.6529 -7.6528 -7.4459 -7.4452 -4.6816 -4.6806 -3.2890 -3.2870 -0.6929 -0.6929 -0.6057 -0.6014 1.0337 1.0977 1.3065 1.3321 1.5820 1.6202 2.0905 2.1171 2.5906 2.6256 2.8191 2.8262 3.1488 3.1493 3.4522 3.4646 4.2262 4.2532 4.4584 4.4587 7.4694 7.4734 7.9617 7.9696 8.2670 8.2896 8.7893 8.8297 k = 0.3393 0.1530-0.1589 ( 20667 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8416 -9.8414 -7.8408 -7.8406 -7.6529 -7.6529 -7.4626 -7.4620 -4.6556 -4.6546 -3.2900 -3.2882 -0.7017 -0.7017 -0.6050 -0.6009 1.0857 1.1531 1.2849 1.3055 1.6001 1.6476 2.0678 2.0904 2.6086 2.6389 2.8331 2.8409 3.1557 3.1565 3.4218 3.4323 4.2098 4.2352 4.4414 4.4423 7.4805 7.4846 7.8784 7.8843 8.2159 8.2350 8.7356 8.7632 k = 0.3571 0.1611-0.1672 ( 20663 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8350 -9.8349 -7.8477 -7.8475 -7.6530 -7.6530 -7.4783 -7.4777 -4.6312 -4.6302 -3.2910 -3.2893 -0.7097 -0.7097 -0.6038 -0.5999 1.1271 1.1899 1.2705 1.2815 1.6270 1.6809 2.0487 2.0685 2.6265 2.6528 2.8398 2.8479 3.1627 3.1636 3.3959 3.4043 4.1950 4.2183 4.4263 4.4277 7.4905 7.4947 7.8011 7.8053 8.1654 8.1814 8.6666 8.6823 k = 0.3750 0.1691-0.1756 ( 20658 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8290 -9.8288 -7.8539 -7.8537 -7.6531 -7.6530 -7.4926 -7.4920 -4.6088 -4.6079 -3.2918 -3.2903 -0.7170 -0.7170 -0.6021 -0.5985 1.1496 1.1895 1.2690 1.2820 1.6630 1.7196 2.0333 2.0512 2.6432 2.6660 2.8386 2.8461 3.1695 3.1700 3.3759 3.3821 4.1818 4.2027 4.4132 4.4151 7.4993 7.5037 7.7308 7.7334 8.1177 8.1309 8.5963 8.6060 k = 0.3929 0.1772-0.1840 ( 20646 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8235 -9.8234 -7.8594 -7.8593 -7.6531 -7.6530 -7.5054 -7.5049 -4.5886 -4.5878 -3.2925 -3.2912 -0.7235 -0.7235 -0.6001 -0.5968 1.1470 1.1665 1.2757 1.3062 1.7069 1.7627 2.0212 2.0380 2.6576 2.6775 2.8295 2.8359 3.1756 3.1756 3.3623 3.3664 4.1704 4.1886 4.4021 4.4043 7.5066 7.5112 7.6684 7.6695 8.0741 8.0849 8.5311 8.5374 k = 0.4107 0.1852-0.1923 ( 20645 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8188 -9.8186 -7.8642 -7.8641 -7.6531 -7.6531 -7.5165 -7.5161 -4.5710 -4.5704 -3.2931 -3.2919 -0.7291 -0.7291 -0.5979 -0.5951 1.1290 1.1395 1.2935 1.3272 1.7557 1.8080 2.0118 2.0283 2.6690 2.6863 2.8143 2.8190 3.1804 3.1808 3.3545 3.3570 4.1607 4.1761 4.3930 4.3953 7.5121 7.5173 7.6145 7.6150 8.0359 8.0444 8.4735 8.4777 k = 0.4286 0.1933-0.2007 ( 20647 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8147 -9.8146 -7.8682 -7.8681 -7.6531 -7.6531 -7.5258 -7.5254 -4.5563 -4.5557 -3.2935 -3.2926 -0.7337 -0.7337 -0.5958 -0.5934 1.1077 1.1141 1.3124 1.3423 1.8057 1.8526 2.0049 2.0215 2.6763 2.6910 2.7961 2.7989 3.1844 3.1851 3.3512 3.3526 4.1530 4.1654 4.3859 4.3881 7.5146 7.5211 7.5695 7.5722 8.0038 8.0104 8.4249 8.4278 k = 0.4464 0.2014-0.2091 ( 20643 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8115 -9.8115 -7.8713 -7.8713 -7.6531 -7.6531 -7.5331 -7.5328 -4.5445 -4.5441 -3.2939 -3.2932 -0.7374 -0.7374 -0.5938 -0.5919 1.0884 1.0926 1.3287 1.3521 1.8525 1.8928 2.0001 2.0168 2.6784 2.6902 2.7793 2.7805 3.1878 3.1885 3.3507 3.3514 4.1473 4.1566 4.3807 4.3825 7.5101 7.5179 7.5400 7.5450 7.9785 7.9833 8.3864 8.3883 k = 0.4643 0.2094-0.2174 ( 20644 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8092 -9.8092 -7.8736 -7.8735 -7.6531 -7.6531 -7.5384 -7.5382 -4.5360 -4.5357 -3.2941 -3.2936 -0.7400 -0.7400 -0.5921 -0.5909 1.0736 1.0762 1.3415 1.3574 1.8921 1.9236 1.9981 2.0135 2.6757 2.6837 2.7675 2.7680 3.1903 3.1910 3.3515 3.3518 4.1435 4.1498 4.3771 4.3785 7.4956 7.4996 7.5343 7.5365 7.9604 7.9635 8.3586 8.3597 k = 0.4821 0.2175-0.2258 ( 20656 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8078 -9.8078 -7.8749 -7.8749 -7.6531 -7.6531 -7.5416 -7.5415 -4.5308 -4.5307 -3.2942 -3.2939 -0.7416 -0.7416 -0.5909 -0.5903 1.0645 1.0658 1.3507 1.3587 1.9211 1.9392 2.0004 2.0104 2.6714 2.6754 2.7616 2.7618 3.1920 3.1924 3.3524 3.3525 4.1419 4.1450 4.3752 4.3759 7.4831 7.4847 7.5345 7.5352 7.9497 7.9513 8.3418 8.3423 k = 0.5000 0.2255-0.2341 ( 20654 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8073 -9.8073 -7.8754 -7.8754 -7.6531 -7.6531 -7.5426 -7.5426 -4.5290 -4.5290 -3.2941 -3.2941 -0.7421 -0.7421 -0.5903 -0.5903 1.0619 1.0619 1.3564 1.3564 1.9375 1.9375 2.0058 2.0058 2.6706 2.6706 2.7601 2.7601 3.1928 3.1928 3.3528 3.3528 4.1424 4.1424 4.3748 4.3748 7.4791 7.4791 7.5349 7.5349 7.9467 7.9467 8.3363 8.3363 k = 0.5000 0.2255-0.2341 ( 20654 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8073 -9.8073 -7.8754 -7.8754 -7.6531 -7.6531 -7.5426 -7.5426 -4.5290 -4.5290 -3.2941 -3.2941 -0.7421 -0.7421 -0.5903 -0.5903 1.0619 1.0619 1.3564 1.3564 1.9375 1.9375 2.0058 2.0058 2.6706 2.6706 2.7601 2.7601 3.1928 3.1928 3.3528 3.3528 4.1424 4.1424 4.3748 4.3748 7.4791 7.4791 7.5349 7.5349 7.9467 7.9467 8.3363 8.3363 k = 0.5075 0.2289-0.2148 ( 20652 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8063 -9.8062 -7.8798 -7.8788 -7.6515 -7.6504 -7.5425 -7.5423 -4.5289 -4.5289 -3.2975 -3.2972 -0.7408 -0.7407 -0.5864 -0.5861 1.0606 1.0618 1.3530 1.3620 1.9299 1.9485 2.0007 2.0075 2.6693 2.6737 2.7607 2.7610 3.1912 3.1938 3.3492 3.3574 4.1348 4.1480 4.3731 4.3765 7.4791 7.4791 7.5368 7.5399 7.9489 7.9513 8.3359 8.3373 k = 0.5151 0.2323-0.1955 ( 20659 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8032 -9.8030 -7.8915 -7.8896 -7.6458 -7.6438 -7.5420 -7.5415 -4.5285 -4.5285 -3.3071 -3.3066 -0.7367 -0.7366 -0.5743 -0.5738 1.0580 1.0603 1.3517 1.3695 1.9248 1.9619 1.9934 2.0069 2.6700 2.6786 2.7629 2.7635 3.1891 3.1942 3.3468 3.3630 4.1255 4.1512 4.3711 4.3783 7.4787 7.4794 7.5459 7.5514 7.9578 7.9627 8.3358 8.3386 k = 0.5226 0.2357-0.1761 ( 20662 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.7981 -9.7978 -7.9095 -7.9070 -7.6370 -7.6343 -7.5410 -7.5402 -4.5279 -4.5279 -3.3230 -3.3221 -0.7299 -0.7297 -0.5542 -0.5534 1.0541 1.0573 1.3524 1.3789 1.9197 1.9657 1.9956 2.0063 2.6726 2.6853 2.7666 2.7677 3.1868 3.1943 3.3457 3.3695 4.1146 4.1514 4.3687 4.3808 7.4777 7.4798 7.5622 7.5692 7.9732 7.9806 8.3357 8.3402 k = 0.5301 0.2391-0.1568 ( 20654 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.7908 -9.7904 -7.9327 -7.9298 -7.6261 -7.6229 -7.5395 -7.5386 -4.5270 -4.5269 -3.3448 -3.3437 -0.7206 -0.7203 -0.5262 -0.5252 1.0489 1.0528 1.3547 1.3896 1.9111 1.9503 2.0093 2.0171 2.6774 2.6939 2.7718 2.7736 3.1844 3.1940 3.3462 3.3771 4.1022 4.1483 4.3660 4.3845 7.4758 7.4798 7.5852 7.5932 7.9947 8.0047 8.3348 8.3416 k = 0.5376 0.2425-0.1374 ( 20651 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.7815 -9.7810 -7.9604 -7.9571 -7.6139 -7.6103 -7.5376 -7.5364 -4.5258 -4.5256 -3.3722 -3.3708 -0.7086 -0.7082 -0.4905 -0.4893 1.0422 1.0467 1.3585 1.4013 1.8960 1.9272 2.0187 2.0462 2.6843 2.7043 2.7786 2.7814 3.1822 3.1939 3.3487 3.3860 4.0880 4.1413 4.3632 4.3897 7.4727 7.4787 7.6144 7.6231 8.0216 8.0342 8.3313 8.3413 k = 0.5452 0.2459-0.1181 ( 20660 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.7701 -9.7696 -7.9917 -7.9882 -7.6010 -7.5970 -7.5353 -7.5339 -4.5241 -4.5239 -3.4049 -3.4033 -0.6941 -0.6937 -0.4474 -0.4460 1.0340 1.0388 1.3634 1.4136 1.8740 1.8992 2.0350 2.0798 2.6936 2.7167 2.7871 2.7910 3.1808 3.1940 3.3534 3.3964 4.0720 4.1302 4.3606 4.3965 7.4678 7.4756 7.6491 7.6585 8.0529 8.0685 8.3205 8.3349 k = 0.5527 0.2493-0.0987 ( 20670 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.7567 -9.7560 -8.0263 -8.0227 -7.5876 -7.5834 -7.5326 -7.5310 -4.5221 -4.5218 -3.4424 -3.4405 -0.6772 -0.6767 -0.3973 -0.3957 1.0242 1.0292 1.3690 1.4259 1.8457 1.8671 2.0568 2.1166 2.7053 2.7310 2.7972 2.8029 3.1805 3.1949 3.3608 3.4088 4.0540 4.1149 4.3585 4.4052 7.4599 7.4691 7.6883 7.6986 8.0870 8.1059 8.2905 8.3073 k = 0.5602 0.2527-0.0794 ( 20682 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.7412 -9.7405 -8.0638 -8.0601 -7.5741 -7.5698 -7.5295 -7.5276 -4.5195 -4.5191 -3.4842 -3.4821 -0.6579 -0.6574 -0.3404 -0.3388 1.0129 1.0178 1.3751 1.4379 1.8123 1.8314 2.0823 2.1556 2.7196 2.7471 2.8094 2.8172 3.1818 3.1969 3.3713 3.4236 4.0336 4.0958 4.3572 4.4155 7.4475 7.4573 7.7304 7.7421 8.1185 8.1414 8.2283 8.2374 k = 0.5678 0.2561-0.0600 ( 20689 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.7237 -9.7229 -8.1039 -8.1001 -7.5606 -7.5561 -7.5261 -7.5239 -4.5163 -4.5158 -3.5298 -3.5275 -0.6363 -0.6358 -0.2774 -0.2758 0.9999 1.0046 1.3814 1.4493 1.7748 1.7927 2.1100 2.1953 2.7363 2.7647 2.8241 2.8344 3.1852 3.2004 3.3856 3.4414 4.0109 4.0729 4.3568 4.4273 7.4277 7.4373 7.7715 7.7863 8.0983 8.1123 8.1917 8.2043 k = 0.5753 0.2595-0.0407 ( 20697 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.7042 -9.7033 -8.1463 -8.1425 -7.5471 -7.5424 -7.5222 -7.5198 -4.5125 -4.5118 -3.5788 -3.5764 -0.6126 -0.6120 -0.2087 -0.2074 0.9853 0.9895 1.3875 1.4599 1.7339 1.7516 2.1380 2.2343 2.7553 2.7833 2.8421 2.8549 3.1912 3.2058 3.4040 3.4627 3.9858 4.0467 4.3577 4.4403 7.3961 7.4044 7.7991 7.8214 8.0146 8.0249 8.2192 8.2409 k = 0.5828 0.2629-0.0213 ( 20712 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.6828 -9.6818 -8.1909 -8.1871 -7.5337 -7.5289 -7.5180 -7.5154 -4.5079 -4.5070 -3.6307 -3.6281 -0.5866 -0.5860 -0.1351 -0.1341 0.9692 0.9728 1.3932 1.4694 1.6907 1.7089 2.1649 2.2710 2.7760 2.8019 2.8646 2.8793 3.2001 3.2133 3.4273 3.4884 3.9582 4.0177 4.3598 4.4542 7.3457 7.3521 7.7790 7.8145 7.9796 7.9844 8.2543 8.2799 k = 0.5903 0.2663-0.0020 ( 20703 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.6594 -9.6582 -8.2374 -8.2336 -7.5205 -7.5156 -7.5135 -7.5105 -4.5025 -4.5013 -3.6850 -3.6823 -0.5586 -0.5580 -0.0573 -0.0570 0.9517 0.9544 1.3982 1.4775 1.6461 1.6654 2.1893 2.3039 2.7981 2.8199 2.8919 2.9077 3.2122 3.2233 3.4558 3.5190 3.9285 3.9861 4.3633 4.4688 7.2691 7.2741 7.7166 7.7588 8.0059 8.0108 8.2869 8.3151 k = 0.5979 0.2697 0.0174 ( 20721 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.6340 -9.6328 -8.2856 -8.2818 -7.5095 -7.5064 -7.5062 -7.5015 -4.4961 -4.4948 -3.7413 -3.7384 -0.5286 -0.5279 0.0229 0.0236 0.9331 0.9347 1.4019 1.4833 1.6017 1.6223 2.2102 2.3321 2.8211 2.8373 2.9239 2.9400 3.2274 3.2358 3.4900 3.5550 3.8970 3.9527 4.3682 4.4839 7.1644 7.1697 7.6565 7.7014 8.0524 8.0598 8.3141 8.3438 k = 0.6054 0.2731 0.0367 ( 20707 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.6068 -9.6054 -8.3353 -8.3315 -7.5041 -7.5008 -7.4936 -7.4884 -4.4887 -4.4871 -3.7991 -3.7961 -0.4965 -0.4959 0.1042 0.1064 0.9137 0.9141 1.4036 1.4840 1.5612 1.5814 2.2272 2.3548 2.8451 2.8544 2.9594 2.9752 3.2458 3.2509 3.5298 3.5962 3.8644 3.9179 4.3745 4.4993 7.0379 7.0449 7.6095 7.6552 8.1004 8.1117 8.3353 8.3650 k = 0.6129 0.2765 0.0561 ( 20699 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.5777 -9.5762 -8.3863 -8.3825 -7.4989 -7.4953 -7.4806 -7.4753 -4.4802 -4.4784 -3.8580 -3.8549 -0.4626 -0.4619 0.1850 0.1894 0.8932 0.8942 1.4019 1.4705 1.5348 1.5451 2.2399 2.3717 2.8702 2.8717 2.9973 3.0125 3.2669 3.2686 3.5745 3.6413 3.8321 3.8826 4.3823 4.5147 6.8992 6.9084 7.5722 7.6178 8.1381 8.1561 8.3541 8.3807 k = 0.6205 0.2798 0.0754 ( 20703 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.5467 -9.5452 -8.4384 -8.4347 -7.4935 -7.4897 -7.4677 -7.4622 -4.4704 -4.4684 -3.9176 -3.9144 -0.4267 -0.4260 0.2627 0.2700 0.8730 0.8754 1.3953 1.4391 1.5167 1.5277 2.2483 2.3828 2.8898 2.8965 3.0365 3.0505 3.2884 3.2903 3.6221 3.6852 3.8048 3.8487 4.3916 4.5301 6.7564 6.7677 7.5399 7.5850 8.1512 8.1791 8.3799 8.3996 k = 0.6280 0.2832 0.0948 ( 20711 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.5140 -9.5123 -8.4914 -8.4878 -7.4880 -7.4840 -7.4548 -7.4493 -4.4594 -4.4571 -3.9777 -3.9744 -0.3890 -0.3882 0.3337 0.3449 0.8547 0.8584 1.3837 1.4031 1.4986 1.5286 2.2527 2.3883 2.9088 2.9244 3.0761 3.0885 3.3100 3.3154 3.6675 3.7076 3.8016 3.8203 4.4026 4.5451 6.6157 6.6286 7.5097 7.5540 8.1289 8.1653 8.4201 8.4333 k = 0.6355 0.2866 0.1141 ( 20719 PWs) bands (ev): -40.5208 -40.5208 -40.5205 -40.5205 -9.4795 -9.4777 -8.5452 -8.5416 -7.4824 -7.4782 -7.4422 -7.4365 -4.4470 -4.4444 -4.0378 -4.0344 -0.3495 -0.3487 0.3935 0.4092 0.8403 0.8443 1.3714 1.3716 1.4897 1.5313 2.2532 2.3885 2.9292 2.9539 3.1155 3.1259 3.3326 3.3412 3.6920 3.6961 3.8106 3.8375 4.4155 4.5594 6.4820 6.4960 7.4801 7.5234 8.0729 8.1130 8.4709 8.4824 k = 0.6430 0.2900 0.1334 ( 20714 PWs) bands (ev): -40.5208 -40.5208 -40.5205 -40.5205 -9.4433 -9.4415 -8.5995 -8.5960 -7.4767 -7.4724 -7.4296 -7.4239 -4.4332 -4.4302 -4.0977 -4.0943 -0.3082 -0.3074 0.4375 0.4572 0.8310 0.8331 1.3500 1.3665 1.4868 1.5343 2.2502 2.3836 2.9510 2.9853 3.1543 3.1624 3.3549 3.3666 3.6634 3.6921 3.8340 3.8853 4.4306 4.5724 6.3602 6.3744 7.4503 7.4923 7.9903 8.0306 8.5186 8.5349 k = 0.6506 0.2934 0.1528 ( 20714 PWs) bands (ev): -40.5208 -40.5208 -40.5205 -40.5205 -9.4054 -9.4035 -8.6542 -8.6508 -7.4711 -7.4665 -7.4173 -7.4115 -4.4178 -4.4145 -4.1571 -4.1536 -0.2652 -0.2644 0.4626 0.4846 0.8230 0.8257 1.3450 1.3760 1.4871 1.5368 2.2436 2.3736 2.9743 3.0183 3.1921 3.1978 3.3749 3.3894 3.6355 3.6719 3.8730 3.9303 4.4475 4.5832 6.2548 6.2683 7.4201 7.4605 7.8876 7.9262 8.5451 8.5537 k = 0.6581 0.2968 0.1721 ( 20706 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.3660 -9.3640 -8.7090 -8.7057 -7.4655 -7.4607 -7.4053 -7.3994 -4.4008 -4.3972 -4.2157 -4.2122 -0.2207 -0.2197 0.4693 0.4913 0.8098 0.8190 1.3614 1.4050 1.4894 1.5387 2.2337 2.3586 2.9989 3.0529 3.2283 3.2319 3.3897 3.4058 3.6151 3.6526 3.9104 3.9667 4.4654 4.5908 6.1706 6.1825 7.3896 7.4278 7.7700 7.8062 8.5616 8.5670 k = 0.6656 0.3002 0.1915 ( 20705 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.3250 -9.3229 -8.7640 -8.7607 -7.4599 -7.4550 -7.3935 -7.3875 -4.3821 -4.3783 -4.2734 -4.2698 -0.1745 -0.1734 0.4609 0.4814 0.7897 0.8050 1.4013 1.4522 1.4948 1.5398 2.2205 2.3384 3.0246 3.0883 3.2616 3.2644 3.3956 3.4118 3.6083 3.6428 3.9392 3.9917 4.4822 4.5938 6.1123 6.1215 7.3591 7.3948 7.6423 7.6756 8.5750 8.5789 k = 0.6656 0.3002 0.1915 ( 20705 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.3250 -9.3229 -8.7640 -8.7607 -7.4599 -7.4550 -7.3935 -7.3875 -4.3821 -4.3783 -4.2734 -4.2698 -0.1745 -0.1734 0.4609 0.4814 0.7897 0.8050 1.4013 1.4522 1.4948 1.5398 2.2205 2.3384 3.0246 3.0883 3.2616 3.2644 3.3956 3.4118 3.6083 3.6428 3.9392 3.9917 4.4822 4.5938 6.1123 6.1215 7.3591 7.3948 7.6423 7.6756 8.5750 8.5789 k = 0.6538 0.2949 0.2082 ( 20692 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.3041 -9.3019 -8.7878 -8.7846 -7.4600 -7.4549 -7.3917 -7.3857 -4.3771 -4.3732 -4.2939 -4.2903 -0.1489 -0.1477 0.4736 0.4919 0.7703 0.7880 1.4276 1.4650 1.4976 1.5273 2.2200 2.3367 3.0237 3.0787 3.2663 3.2725 3.4106 3.4216 3.6315 3.6656 3.9173 3.9613 4.5068 4.6097 6.1115 6.1179 7.3573 7.3941 7.5699 7.6018 8.5861 8.5902 k = 0.6420 0.2895 0.2249 ( 20698 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.2835 -9.2812 -8.8111 -8.8079 -7.4592 -7.4539 -7.3903 -7.3842 -4.3739 -4.3701 -4.3128 -4.3091 -0.1221 -0.1208 0.4872 0.5029 0.7502 0.7700 1.4554 1.4577 1.5113 1.5229 2.2167 2.3310 3.0214 3.0691 3.2669 3.2767 3.4210 3.4286 3.6646 3.6972 3.8928 3.9289 4.5272 4.6226 6.1184 6.1222 7.3671 7.4044 7.4966 7.5271 8.6025 8.6069 k = 0.6301 0.2842 0.2417 ( 20709 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.2633 -9.2609 -8.8339 -8.8306 -7.4575 -7.4521 -7.3894 -7.3832 -4.3726 -4.3687 -4.3300 -4.3262 -0.0943 -0.0929 0.5004 0.5131 0.7311 0.7531 1.4359 1.4749 1.5077 1.5577 2.2103 2.3213 3.0184 3.0600 3.2636 3.2770 3.4281 3.4342 3.7052 3.7332 3.8690 3.8954 4.5422 4.6313 6.1325 6.1343 7.3887 7.4229 7.4252 7.4527 8.6237 8.6286 k = 0.6183 0.2789 0.2584 ( 20706 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.2434 -9.2409 -8.8561 -8.8529 -7.4551 -7.4496 -7.3889 -7.3827 -4.3728 -4.3688 -4.3454 -4.3416 -0.0654 -0.0639 0.5110 0.5204 0.7158 0.7403 1.4114 1.4544 1.5408 1.5964 2.2006 2.3078 3.0156 3.0520 3.2567 3.2734 3.4336 3.4397 3.7501 3.7625 3.8558 3.8623 4.5511 4.6349 6.1534 6.1536 7.3483 7.3754 7.4231 7.4602 8.6487 8.6543 k = 0.6065 0.2735 0.2751 ( 20700 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.2238 -9.2212 -8.8778 -8.8746 -7.4521 -7.4464 -7.3889 -7.3826 -4.3743 -4.3703 -4.3591 -4.3552 -0.0355 -0.0338 0.5153 0.5215 0.7084 0.7351 1.3829 1.4247 1.5816 1.6378 2.1878 2.2905 3.0134 3.0457 3.2465 3.2662 3.4388 3.4459 3.7633 3.7910 3.8371 3.8743 4.5533 4.6329 6.1798 6.1804 7.2739 7.2997 7.4692 7.5050 8.6760 8.6830 k = 0.5946 0.2682 0.2918 ( 20691 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.2044 -9.2018 -8.8991 -8.8959 -7.4484 -7.4427 -7.3893 -7.3831 -4.3769 -4.3730 -4.3709 -4.3669 -0.0046 -0.0028 0.5098 0.5138 0.7127 0.7407 1.3508 1.3908 1.6246 1.6808 2.1720 2.2700 3.0125 3.0413 3.2335 3.2554 3.4444 3.4531 3.7415 3.7829 3.8639 3.9180 4.5487 4.6246 6.2124 6.2132 7.1995 7.2238 7.5271 7.5611 8.7017 8.7109 k = 0.5828 0.2629 0.3086 ( 20690 PWs) bands (ev): -40.5207 -40.5207 -40.5206 -40.5206 -9.1853 -9.1827 -8.9198 -8.9167 -7.4443 -7.4385 -7.3903 -7.3840 -4.3815 -4.3798 -4.3778 -4.3756 0.0272 0.0291 0.4940 0.4970 0.7293 0.7575 1.3155 1.3535 1.6685 1.7248 2.1533 2.2465 3.0132 3.0391 3.2180 3.2415 3.4512 3.4616 3.7136 3.7525 3.9156 3.9701 4.5371 4.6101 6.2510 6.2513 7.1253 7.1482 7.5960 7.6278 8.7143 8.7248 k = 0.5710 0.2575 0.3253 ( 20685 PWs) bands (ev): -40.5207 -40.5207 -40.5206 -40.5206 -9.1665 -9.1637 -8.9402 -8.9370 -7.4399 -7.4339 -7.3919 -7.3855 -4.3895 -4.3856 -4.3841 -4.3800 0.0599 0.0620 0.4703 0.4732 0.7559 0.7836 1.2772 1.3133 1.7127 1.7692 2.1321 2.2204 3.0159 3.0396 3.2005 3.2248 3.4592 3.4716 3.6849 3.7212 3.9705 4.0253 4.5187 4.5893 6.2943 6.2949 7.0517 7.0730 7.6749 7.7042 8.7007 8.7089 k = 0.5592 0.2522 0.3420 ( 20682 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.1478 -9.1450 -8.9601 -8.9570 -7.4352 -7.4291 -7.3939 -7.3875 -4.3960 -4.3921 -4.3885 -4.3843 0.0934 0.0956 0.4415 0.4444 0.7895 0.8166 1.2364 1.2706 1.7566 1.8135 2.1084 2.1920 3.0209 3.0428 3.1815 3.2058 3.4688 3.4830 3.6568 3.6909 4.0264 4.0818 4.4940 4.5625 6.3418 6.3437 6.9787 6.9984 7.7626 7.7891 8.6647 8.6715 k = 0.5473 0.2469 0.3587 ( 20677 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.1293 -9.1264 -8.9797 -8.9766 -7.4303 -7.4241 -7.3965 -7.3901 -4.4009 -4.3969 -4.3928 -4.3887 0.1276 0.1300 0.4096 0.4126 0.8281 0.8547 1.1933 1.2258 1.7997 1.8573 2.0825 2.1615 3.0282 3.0490 3.1614 3.1853 3.4799 3.4961 3.6302 3.6622 4.0823 4.1386 4.4635 4.5301 6.3933 6.3969 6.9065 6.9247 7.8575 7.8811 8.6116 8.6183 k = 0.5355 0.2415 0.3755 ( 20677 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.1108 -9.1079 -8.9990 -8.9959 -7.4253 -7.4191 -7.3995 -7.3931 -4.4042 -4.4002 -4.3968 -4.3927 0.1624 0.1649 0.3757 0.3788 0.8702 0.8966 1.1485 1.1794 1.8415 1.9003 2.0543 2.1291 3.0381 3.0582 3.1408 3.1639 3.4928 3.5108 3.6052 3.6352 4.1377 4.1950 4.4277 4.4927 6.4484 6.4538 6.8356 6.8520 7.9579 7.9786 8.5434 8.5508 k = 0.5237 0.2362 0.3922 ( 20679 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0924 -9.0894 -9.0180 -9.0150 -7.4204 -7.4142 -7.4030 -7.3966 -4.4059 -4.4019 -4.4005 -4.3963 0.1977 0.2004 0.3407 0.3438 0.9147 0.9413 1.1023 1.1319 1.8818 1.9421 2.0240 2.0950 3.0505 3.0703 3.1203 3.1425 3.5072 3.5271 3.5821 3.6100 4.1919 4.2504 4.3873 4.4508 6.5068 6.5141 6.7660 6.7807 8.0619 8.0797 8.4620 8.4708 k = 0.5118 0.2309 0.4089 ( 20686 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0740 -9.0710 -9.0368 -9.0338 -7.4157 -7.4094 -7.4069 -7.4005 -4.4063 -4.4034 -4.4022 -4.3993 0.2334 0.2362 0.3051 0.3082 0.9608 0.9878 1.0552 1.0837 1.9203 1.9827 1.9915 2.0592 3.0652 3.0852 3.1005 3.1218 3.5234 3.5452 3.5608 3.5866 4.2446 4.3042 4.3429 4.4050 6.5681 6.5773 6.6980 6.7109 8.1670 8.1822 8.3701 8.3807 k = 0.5000 0.2255 0.4256 ( 20694 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0555 -9.0555 -9.0524 -9.0524 -7.4111 -7.4111 -7.4048 -7.4048 -4.4054 -4.4054 -4.4013 -4.4013 0.2692 0.2692 0.2722 0.2722 1.0079 1.0079 1.0355 1.0355 1.9569 1.9569 2.0217 2.0217 3.0820 3.0820 3.1025 3.1025 3.5412 3.5412 3.5650 3.5650 4.2951 4.2951 4.3560 4.3560 6.6320 6.6320 6.6430 6.6430 8.2707 8.2707 8.2835 8.2835 k = 0.5000 0.2255 0.4256 ( 20694 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0555 -9.0555 -9.0524 -9.0524 -7.4111 -7.4111 -7.4048 -7.4048 -4.4054 -4.4054 -4.4013 -4.4013 0.2692 0.2692 0.2722 0.2722 1.0079 1.0079 1.0355 1.0355 1.9569 1.9569 2.0217 2.0217 3.0820 3.0820 3.1025 3.1025 3.5412 3.5412 3.5650 3.5650 4.2951 4.2951 4.3560 4.3560 6.6320 6.6320 6.6430 6.6430 8.2707 8.2707 8.2835 8.2835 k = 0.5086 0.2063 0.4256 ( 20682 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0549 -9.0549 -9.0519 -9.0519 -7.4116 -7.4116 -7.4052 -7.4052 -4.4071 -4.4071 -4.4030 -4.4030 0.2722 0.2722 0.2761 0.2761 1.0084 1.0084 1.0361 1.0361 1.9563 1.9563 2.0211 2.0211 3.0792 3.0792 3.1023 3.1023 3.5425 3.5425 3.5709 3.5709 4.2953 4.2953 4.3560 4.3560 6.6300 6.6300 6.6413 6.6413 8.2691 8.2691 8.2820 8.2820 k = 0.5173 0.1872 0.4256 ( 20684 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0534 -9.0534 -9.0504 -9.0504 -7.4129 -7.4129 -7.4065 -7.4065 -4.4122 -4.4122 -4.4081 -4.4081 0.2813 0.2813 0.2872 0.2872 1.0100 1.0100 1.0381 1.0381 1.9544 1.9544 2.0194 2.0194 3.0720 3.0720 3.1010 3.1010 3.5480 3.5480 3.5863 3.5863 4.2960 4.2960 4.3562 4.3562 6.6243 6.6243 6.6362 6.6362 8.2643 8.2643 8.2775 8.2775 k = 0.5259 0.1680 0.4256 ( 20692 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0509 -9.0509 -9.0478 -9.0478 -7.4151 -7.4151 -7.4087 -7.4087 -4.4207 -4.4207 -4.4166 -4.4166 0.2967 0.2967 0.3051 0.3051 1.0128 1.0128 1.0414 1.0414 1.9513 1.9513 2.0166 2.0166 3.0626 3.0626 3.0981 3.0981 3.5588 3.5588 3.6082 3.6082 4.2974 4.2974 4.3568 4.3568 6.6148 6.6148 6.6278 6.6278 8.2562 8.2562 8.2699 8.2699 k = 0.5346 0.1488 0.4256 ( 20704 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0473 -9.0473 -9.0443 -9.0443 -7.4182 -7.4182 -7.4118 -7.4118 -4.4323 -4.4323 -4.4282 -4.4282 0.3181 0.3181 0.3292 0.3292 1.0168 1.0168 1.0462 1.0462 1.9472 1.9472 2.0128 2.0128 3.0523 3.0523 3.0938 3.0938 3.5744 3.5744 3.6347 3.6347 4.2996 4.2996 4.3580 4.3580 6.6019 6.6019 6.6161 6.6161 8.2448 8.2448 8.2593 8.2593 k = 0.5432 0.1297 0.4256 ( 20696 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0428 -9.0428 -9.0398 -9.0398 -7.4220 -7.4220 -7.4156 -7.4156 -4.4469 -4.4469 -4.4427 -4.4427 0.3449 0.3449 0.3590 0.3590 1.0221 1.0221 1.0525 1.0525 1.9423 1.9423 2.0082 2.0082 3.0425 3.0425 3.0890 3.0890 3.5934 3.5934 3.6639 3.6639 4.3033 4.3033 4.3603 4.3603 6.5858 6.5858 6.6015 6.6015 8.2299 8.2299 8.2454 8.2454 k = 0.5519 0.1105 0.4256 ( 20698 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0374 -9.0374 -9.0344 -9.0344 -7.4267 -7.4267 -7.4203 -7.4203 -4.4642 -4.4642 -4.4599 -4.4599 0.3765 0.3765 0.3939 0.3939 1.0288 1.0288 1.0606 1.0606 1.9367 1.9367 2.0031 2.0031 3.0339 3.0339 3.0846 3.0846 3.6143 3.6143 3.6942 3.6942 4.3088 4.3088 4.3644 4.3644 6.5669 6.5669 6.5841 6.5841 8.2113 8.2113 8.2279 8.2279 k = 0.5605 0.0913 0.4256 ( 20694 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0311 -9.0311 -9.0281 -9.0281 -7.4322 -7.4322 -7.4258 -7.4258 -4.4838 -4.4838 -4.4795 -4.4795 0.4119 0.4119 0.4329 0.4329 1.0372 1.0372 1.0706 1.0706 1.9310 1.9310 1.9977 1.9977 3.0274 3.0274 3.0815 3.0815 3.6354 3.6354 3.7243 3.7243 4.3166 4.3166 4.3708 4.3708 6.5454 6.5454 6.5643 6.5643 8.1887 8.1887 8.2065 8.2065 k = 0.5692 0.0721 0.4256 ( 20700 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0240 -9.0240 -9.0209 -9.0209 -7.4384 -7.4384 -7.4320 -7.4320 -4.5055 -4.5055 -4.5012 -4.5012 0.4502 0.4502 0.4751 0.4751 1.0474 1.0474 1.0829 1.0829 1.9254 1.9254 1.9924 1.9924 3.0233 3.0233 3.0804 3.0804 3.6554 3.6554 3.7527 3.7527 4.3274 4.3274 4.3804 4.3804 6.5219 6.5219 6.5424 6.5424 8.1613 8.1613 8.1806 8.1806 k = 0.5778 0.0530 0.4256 ( 20704 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0161 -9.0161 -9.0130 -9.0130 -7.4453 -7.4453 -7.4389 -7.4389 -4.5289 -4.5289 -4.5245 -4.5245 0.4901 0.4901 0.5194 0.5194 1.0598 1.0598 1.0976 1.0976 1.9205 1.9205 1.9876 1.9876 3.0220 3.0220 3.0818 3.0818 3.6731 3.6731 3.7782 3.7782 4.3416 4.3416 4.3937 4.3937 6.4967 6.4967 6.5189 6.5189 8.1282 8.1282 8.1492 8.1492 k = 0.5865 0.0338 0.4256 ( 20712 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0075 -9.0075 -9.0044 -9.0044 -7.4529 -7.4529 -7.4464 -7.4464 -4.5536 -4.5536 -4.5493 -4.5493 0.5304 0.5304 0.5643 0.5643 1.0746 1.0746 1.1151 1.1151 1.9168 1.9168 1.9839 1.9839 3.0238 3.0238 3.0861 3.0861 3.6875 3.6875 3.7998 3.7998 4.3596 4.3596 4.4111 4.4111 6.4702 6.4702 6.4942 6.4942 8.0885 8.0885 8.1113 8.1113 k = 0.5951 0.0146 0.4256 ( 20728 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9983 -8.9983 -8.9952 -8.9952 -7.4609 -7.4609 -7.4545 -7.4545 -4.5793 -4.5793 -4.5750 -4.5750 0.5698 0.5698 0.6086 0.6086 1.0919 1.0919 1.1356 1.1356 1.9151 1.9151 1.9817 1.9817 3.0289 3.0289 3.0935 3.0935 3.6982 3.6982 3.8169 3.8169 4.3815 4.3815 4.4329 4.4329 6.4429 6.4429 6.4688 6.4688 8.0407 8.0407 8.0653 8.0653 k = 0.6038-0.0045 0.4256 ( 20738 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9886 -8.9886 -8.9855 -8.9855 -7.4695 -7.4695 -7.4630 -7.4630 -4.6057 -4.6057 -4.6013 -4.6013 0.6072 0.6072 0.6507 0.6507 1.1120 1.1120 1.1590 1.1590 1.9160 1.9160 1.9817 1.9817 3.0371 3.0371 3.1041 3.1041 3.7051 3.7051 3.8294 3.8294 4.4070 4.4070 4.4588 4.4588 6.4152 6.4152 6.4430 6.4430 7.9834 7.9834 8.0098 8.0098 k = 0.6124-0.0237 0.4256 ( 20736 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9785 -8.9785 -8.9753 -8.9753 -7.4784 -7.4784 -7.4719 -7.4719 -4.6324 -4.6324 -4.6280 -4.6280 0.6414 0.6414 0.6895 0.6895 1.1345 1.1345 1.1851 1.1851 1.9204 1.9204 1.9847 1.9847 3.0487 3.0487 3.1180 3.1180 3.7085 3.7085 3.8374 3.8374 4.4357 4.4357 4.4881 4.4881 6.3877 6.3877 6.4173 6.4173 7.9158 7.9158 7.9436 7.9436 k = 0.6211-0.0429 0.4256 ( 20738 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9680 -8.9680 -8.9649 -8.9649 -7.4876 -7.4876 -7.4812 -7.4812 -4.6591 -4.6591 -4.6547 -4.6547 0.6719 0.6719 0.7241 0.7241 1.1590 1.1590 1.2132 1.2132 1.9290 1.9290 1.9912 1.9912 3.0635 3.0635 3.1350 3.1350 3.7090 3.7090 3.8416 3.8416 4.4668 4.4668 4.5199 4.5199 6.3607 6.3607 6.3923 6.3923 7.8373 7.8373 7.8662 7.8662 k = 0.6297-0.0620 0.4256 ( 20744 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9574 -8.9574 -8.9542 -8.9542 -7.4970 -7.4970 -7.4906 -7.4906 -4.6854 -4.6854 -4.6811 -4.6811 0.6982 0.6982 0.7538 0.7538 1.1846 1.1846 1.2423 1.2423 1.9425 1.9425 2.0020 2.0020 3.0813 3.0813 3.1550 3.1550 3.7073 3.7073 3.8428 3.8428 4.4993 4.4993 4.5533 4.5533 6.3346 6.3346 6.3683 6.3683 7.7482 7.7482 7.7780 7.7780 k = 0.6383-0.0812 0.4256 ( 20744 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9466 -8.9466 -8.9435 -8.9435 -7.5064 -7.5064 -7.5000 -7.5000 -4.7112 -4.7112 -4.7069 -4.7069 0.7205 0.7205 0.7787 0.7787 1.2100 1.2100 1.2712 1.2712 1.9612 1.9612 2.0175 2.0175 3.1020 3.1020 3.1776 3.1776 3.7044 3.7044 3.8420 3.8420 4.5323 4.5323 4.5871 4.5871 6.3099 6.3099 6.3457 6.3457 7.6497 7.6497 7.6803 7.6803 k = 0.6470-0.1004 0.4256 ( 20752 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9360 -8.9360 -8.9329 -8.9329 -7.5157 -7.5157 -7.5094 -7.5094 -4.7361 -4.7361 -4.7318 -4.7318 0.7389 0.7389 0.7990 0.7990 1.2340 1.2340 1.2987 1.2987 1.9852 1.9852 2.0378 2.0378 3.1252 3.1252 3.2023 3.2023 3.7016 3.7016 3.8404 3.8404 4.5645 4.5645 4.6201 4.6201 6.2869 6.2869 6.3250 6.3250 7.5438 7.5438 7.5753 7.5753 k = 0.6556-0.1196 0.4256 ( 20746 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9256 -8.9256 -8.9225 -8.9225 -7.5248 -7.5248 -7.5186 -7.5186 -4.7599 -4.7599 -4.7557 -4.7557 0.7538 0.7538 0.8151 0.8151 1.2556 1.2556 1.3236 1.3236 2.0141 2.0141 2.0627 2.0627 3.1503 3.1503 3.2283 3.2283 3.7001 3.7001 3.8391 3.8391 4.5950 4.5950 4.6514 4.6514 6.2660 6.2660 6.3064 6.3064 7.4327 7.4327 7.4653 7.4653 k = 0.6643-0.1387 0.4256 ( 20752 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9155 -8.9155 -8.9124 -8.9124 -7.5335 -7.5335 -7.5274 -7.5274 -4.7824 -4.7824 -4.7783 -4.7783 0.7656 0.7656 0.8276 0.8276 1.2743 1.2743 1.3454 1.3454 2.0470 2.0470 2.0915 2.0915 3.1767 3.1767 3.2547 3.2547 3.7014 3.7014 3.8392 3.8392 4.6230 4.6230 4.6800 4.6800 6.2474 6.2474 6.2901 6.2901 7.3188 7.3188 7.3529 7.3529 k = 0.6729-0.1579 0.4256 ( 20744 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9060 -8.9060 -8.9029 -8.9029 -7.5416 -7.5416 -7.5356 -7.5356 -4.8034 -4.8034 -4.7994 -4.7994 0.7748 0.7748 0.8370 0.8370 1.2901 1.2901 1.3638 1.3638 2.0824 2.0824 2.1232 2.1232 3.2033 3.2033 3.2801 3.2801 3.7070 3.7070 3.8420 3.8420 4.6475 4.6475 4.7049 4.7049 6.2313 6.2313 6.2764 6.2764 7.2048 7.2048 7.2408 7.2408 k = 0.6816-0.1771 0.4256 ( 20738 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.8972 -8.8972 -8.8941 -8.8941 -7.5491 -7.5491 -7.5432 -7.5432 -4.8228 -4.8228 -4.8189 -4.8189 0.7817 0.7817 0.8436 0.8436 1.3030 1.3030 1.3789 1.3789 2.1188 2.1188 2.1564 2.1564 3.2290 3.2290 3.3032 3.3032 3.7183 3.7183 3.8484 3.8484 4.6678 4.6678 4.7253 4.7253 6.2179 6.2179 6.2653 6.2654 7.0932 7.0932 7.1313 7.1313 k = 0.6902-0.1962 0.4256 ( 20748 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.8891 -8.8891 -8.8861 -8.8861 -7.5557 -7.5557 -7.5499 -7.5499 -4.8404 -4.8404 -4.8365 -4.8365 0.7865 0.7865 0.8478 0.8478 1.3137 1.3137 1.3911 1.3911 2.1545 2.1545 2.1894 2.1894 3.2526 3.2526 3.3232 3.3232 3.7362 3.7362 3.8594 3.8594 4.6833 4.6833 4.7408 4.7408 6.2073 6.2073 6.2568 6.2568 6.9865 6.9865 7.0269 7.0269 k = 0.6989-0.2154 0.4256 ( 20754 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.8821 -8.8821 -8.8791 -8.8791 -7.5612 -7.5612 -7.5556 -7.5556 -4.8561 -4.8561 -4.8523 -4.8523 0.7897 0.7897 0.8499 0.8499 1.3226 1.3226 1.4009 1.4009 2.1879 2.1879 2.2207 2.2207 3.2728 3.2728 3.3396 3.3396 3.7605 3.7605 3.8754 3.8754 4.6937 4.6937 4.7508 4.7508 6.1996 6.1996 6.2505 6.2505 6.8876 6.8876 6.9300 6.9300 k = 0.7075-0.2346 0.4256 ( 20748 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.8761 -8.8761 -8.8732 -8.8732 -7.5657 -7.5657 -7.5601 -7.5601 -4.8697 -4.8697 -4.8661 -4.8661 0.7912 0.7912 0.8500 0.8500 1.3303 1.3303 1.4089 1.4089 2.2176 2.2176 2.2489 2.2489 3.2890 3.2890 3.3526 3.3526 3.7899 3.7899 3.8959 3.8959 4.6988 4.6988 4.7551 4.7551 6.1947 6.1947 6.2463 6.2463 6.7989 6.7989 6.8428 6.8428 k = 0.7162-0.2538 0.4256 ( 20746 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.8714 -8.8714 -8.8686 -8.8686 -7.5688 -7.5688 -7.5634 -7.5634 -4.8813 -4.8813 -4.8777 -4.8777 0.7914 0.7914 0.8485 0.8485 1.3373 1.3373 1.4154 1.4154 2.2423 2.2423 2.2726 2.2726 3.3011 3.3011 3.3630 3.3630 3.8224 3.8224 3.9198 3.9198 4.6987 4.6987 4.7539 4.7539 6.1928 6.1928 6.2436 6.2436 6.7231 6.7231 6.7674 6.7674 k = 0.7248-0.2729 0.4256 ( 20736 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.8681 -8.8681 -8.8653 -8.8653 -7.5706 -7.5706 -7.5653 -7.5653 -4.8907 -4.8907 -4.8872 -4.8872 0.7903 0.7903 0.8453 0.8453 1.3439 1.3439 1.4211 1.4211 2.2611 2.2611 2.2909 2.2909 3.3097 3.3097 3.3714 3.3714 3.8551 3.8551 3.9450 3.9450 4.6939 4.6939 4.7477 4.7477 6.1938 6.1938 6.2418 6.2418 6.6627 6.6627 6.7056 6.7056 k = 0.7335-0.2921 0.4256 ( 20750 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.8661 -8.8661 -8.8634 -8.8634 -7.5709 -7.5709 -7.5657 -7.5657 -4.8978 -4.8978 -4.8944 -4.8944 0.7879 0.7879 0.8406 0.8406 1.3506 1.3506 1.4263 1.4263 2.2730 2.2730 2.3027 2.3027 3.3160 3.3160 3.3785 3.3785 3.8852 3.8852 3.9688 3.9688 4.6854 4.6854 4.7375 4.7375 6.1976 6.1976 6.2407 6.2407 6.6197 6.6197 6.6590 6.6590 k = 0.7421-0.3113 0.4256 ( 20748 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.8656 -8.8656 -8.8629 -8.8629 -7.5697 -7.5697 -7.5646 -7.5646 -4.9028 -4.9028 -4.8994 -4.8994 0.7844 0.7844 0.8346 0.8346 1.3576 1.3576 1.4314 1.4314 2.2774 2.2774 2.3075 2.3075 3.3208 3.3208 3.3847 3.3847 3.9097 3.9097 3.9884 3.9884 4.6742 4.6742 4.7243 4.7243 6.2040 6.2040 6.2401 6.2401 6.5955 6.5955 6.6291 6.6291 k = 0.2579-0.5718 0.6598 ( 20748 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.8656 -8.8656 -8.8629 -8.8629 -7.5697 -7.5697 -7.5646 -7.5646 -4.9028 -4.9028 -4.8994 -4.8994 0.7844 0.7844 0.8346 0.8346 1.3576 1.3576 1.4314 1.4314 2.2774 2.2774 2.3075 2.3075 3.3208 3.3208 3.3847 3.3847 3.9097 3.9097 3.9884 3.9884 4.6742 4.6742 4.7243 4.7243 6.2040 6.2040 6.2401 6.2401 6.5955 6.5955 6.6291 6.6291 k = 0.2493-0.5527 0.6598 ( 20758 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.8666 -8.8666 -8.8640 -8.8640 -7.5670 -7.5670 -7.5620 -7.5620 -4.9054 -4.9054 -4.9021 -4.9021 0.7797 0.7797 0.8272 0.8272 1.3650 1.3650 1.4364 1.4364 2.2740 2.2740 2.3050 2.3050 3.3248 3.3248 3.3904 3.3904 3.9264 3.9264 4.0015 4.0015 4.6615 4.6615 4.7096 4.7096 6.2120 6.2121 6.2407 6.2407 6.5901 6.5901 6.6176 6.6176 k = 0.2407-0.5337 0.6598 ( 20760 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.8690 -8.8690 -8.8664 -8.8664 -7.5628 -7.5628 -7.5579 -7.5579 -4.9058 -4.9058 -4.9025 -4.9025 0.7740 0.7740 0.8187 0.8187 1.3731 1.3731 1.4418 1.4418 2.2626 2.2626 2.2950 2.2950 3.3283 3.3283 3.3962 3.3962 3.9340 3.9340 4.0066 4.0066 4.6481 4.6481 4.6945 4.6945 6.2203 6.2203 6.2434 6.2434 6.6027 6.6027 6.6254 6.6254 k = 0.2321-0.5146 0.6598 ( 20748 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.8729 -8.8729 -8.8703 -8.8703 -7.5572 -7.5572 -7.5524 -7.5524 -4.9039 -4.9039 -4.9007 -4.9007 0.7671 0.7671 0.8090 0.8090 1.3818 1.3818 1.4475 1.4475 2.2431 2.2431 2.2776 2.2776 3.3311 3.3311 3.4020 3.4020 3.9323 3.9323 4.0036 4.0036 4.6346 4.6346 4.6793 4.6793 6.2276 6.2276 6.2490 6.2490 6.6325 6.6325 6.6532 6.6532 k = 0.2235-0.4956 0.6598 ( 20746 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.8781 -8.8781 -8.8756 -8.8756 -7.5502 -7.5502 -7.5454 -7.5454 -4.8998 -4.8998 -4.8966 -4.8966 0.7590 0.7590 0.7981 0.7981 1.3912 1.3912 1.4537 1.4537 2.2158 2.2158 2.2531 2.2531 3.3327 3.3327 3.4079 3.4079 3.9225 3.9225 3.9935 3.9935 4.6207 4.6207 4.6639 4.6639 6.2342 6.2342 6.2566 6.2566 6.6794 6.6794 6.6999 6.6999 k = 0.2149-0.4765 0.6598 ( 20732 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.8847 -8.8847 -8.8821 -8.8821 -7.5419 -7.5419 -7.5371 -7.5371 -4.8934 -4.8934 -4.8902 -4.8902 0.7497 0.7497 0.7862 0.7862 1.4012 1.4012 1.4604 1.4604 2.1811 2.1811 2.2217 2.2217 3.3325 3.3325 3.4135 3.4135 3.9065 3.9065 3.9784 3.9784 4.6059 4.6059 4.6477 4.6477 6.2410 6.2410 6.2651 6.2651 6.7429 6.7429 6.7635 6.7635 k = 0.2063-0.4574 0.6598 ( 20726 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.8923 -8.8923 -8.8898 -8.8898 -7.5325 -7.5325 -7.5277 -7.5277 -4.8850 -4.8850 -4.8818 -4.8818 0.7392 0.7392 0.7732 0.7732 1.4117 1.4117 1.4674 1.4674 2.1398 2.1398 2.1842 2.1842 3.3299 3.3299 3.4178 3.4178 3.8874 3.8874 3.9609 3.9609 4.5893 4.5893 4.6296 4.6296 6.2487 6.2487 6.2739 6.2739 6.8218 6.8218 6.8419 6.8419 k = 0.1977-0.4384 0.6598 ( 20728 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9011 -8.9011 -8.8986 -8.8986 -7.5220 -7.5220 -7.5172 -7.5172 -4.8744 -4.8744 -4.8712 -4.8712 0.7273 0.7273 0.7591 0.7591 1.4224 1.4224 1.4747 1.4747 2.0927 2.0927 2.1413 2.1413 3.3244 3.3244 3.4200 3.4200 3.8680 3.8680 3.9435 3.9435 4.5702 4.5702 4.6089 4.6089 6.2577 6.2577 6.2831 6.2831 6.9139 6.9139 6.9330 6.9330 k = 0.1891-0.4193 0.6598 ( 20726 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9107 -8.9107 -8.9082 -8.9082 -7.5107 -7.5107 -7.5059 -7.5059 -4.8619 -4.8619 -4.8585 -4.8585 0.7140 0.7140 0.7439 0.7439 1.4330 1.4330 1.4818 1.4818 2.0409 2.0409 2.0941 2.0941 3.3158 3.3158 3.4189 3.4189 3.8511 3.8511 3.9282 3.9282 4.5480 4.5480 4.5849 4.5849 6.2679 6.2679 6.2930 6.2930 7.0166 7.0166 7.0351 7.0351 k = 0.1805-0.4003 0.6598 ( 20724 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9211 -8.9211 -8.9186 -8.9186 -7.4987 -7.4987 -7.4938 -7.4938 -4.8474 -4.8474 -4.8440 -4.8440 0.6992 0.6992 0.7277 0.7277 1.4427 1.4427 1.4885 1.4885 1.9858 1.9858 2.0442 2.0442 3.3041 3.3041 3.4138 3.4138 3.8389 3.8389 3.9164 3.9164 4.5225 4.5225 4.5573 4.5573 6.2795 6.2795 6.3041 6.3041 7.1274 7.1274 7.1460 7.1460 k = 0.1719-0.3812 0.6598 ( 20724 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9321 -8.9321 -8.9296 -8.9296 -7.4861 -7.4861 -7.4812 -7.4812 -4.8311 -4.8311 -4.8276 -4.8276 0.6828 0.6828 0.7102 0.7102 1.4506 1.4506 1.4940 1.4940 1.9292 1.9292 1.9933 1.9933 3.2897 3.2897 3.4043 3.4043 3.8325 3.8325 3.9088 3.9088 4.4935 4.4935 4.5260 4.5260 6.2925 6.2925 6.3164 6.3164 7.2437 7.2437 7.2638 7.2638 k = 0.1633-0.3621 0.6598 ( 20714 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9436 -8.9436 -8.9411 -8.9411 -7.4732 -7.4732 -7.4682 -7.4682 -4.8132 -4.8132 -4.8096 -4.8096 0.6647 0.6647 0.6915 0.6915 1.4549 1.4549 1.4975 1.4975 1.8732 1.8732 1.9438 1.9438 3.2732 3.2732 3.3909 3.3909 3.8321 3.8321 3.9053 3.9053 4.4612 4.4612 4.4913 4.4913 6.3070 6.3070 6.3302 6.3302 7.3631 7.3631 7.3862 7.3862 k = 0.1547-0.3431 0.6598 ( 20712 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9554 -8.9554 -8.9529 -8.9529 -7.4600 -7.4600 -7.4549 -7.4549 -4.7938 -4.7938 -4.7901 -4.7901 0.6448 0.6448 0.6714 0.6714 1.4534 1.4534 1.4974 1.4974 1.8209 1.8209 1.8987 1.8987 3.2554 3.2554 3.3745 3.3745 3.8368 3.8368 3.9055 3.9055 4.4260 4.4260 4.4537 4.4537 6.3230 6.3230 6.3455 6.3455 7.4835 7.4835 7.5108 7.5108 k = 0.1461-0.3240 0.6598 ( 20704 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9673 -8.9673 -8.9649 -8.9649 -7.4467 -7.4467 -7.4416 -7.4416 -4.7730 -4.7730 -4.7692 -4.7692 0.6231 0.6231 0.6497 0.6497 1.4434 1.4434 1.4914 1.4914 1.7761 1.7761 1.8611 1.8611 3.2372 3.2372 3.3564 3.3564 3.8454 3.8454 3.9087 3.9087 4.3880 4.3880 4.4140 4.4140 6.3405 6.3405 6.3623 6.3623 7.6026 7.6026 7.6351 7.6351 k = 0.1375-0.3050 0.6598 ( 20710 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9793 -8.9793 -8.9769 -8.9769 -7.4336 -7.4336 -7.4284 -7.4284 -4.7511 -4.7511 -4.7472 -4.7472 0.5995 0.5995 0.6262 0.6262 1.4235 1.4235 1.4762 1.4762 1.7432 1.7432 1.8336 1.8336 3.2193 3.2193 3.3377 3.3377 3.8559 3.8559 3.9141 3.9141 4.3475 4.3475 4.3734 4.3734 6.3593 6.3593 6.3804 6.3804 7.7181 7.7181 7.7567 7.7567 k = 0.1289-0.2859 0.6598 ( 20728 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9912 -8.9912 -8.9888 -8.9888 -7.4206 -7.4206 -7.4154 -7.4154 -4.7283 -4.7283 -4.7244 -4.7244 0.5740 0.5740 0.6009 0.6009 1.3940 1.3940 1.4498 1.4498 1.7245 1.7245 1.8170 1.8170 3.2024 3.2024 3.3194 3.3194 3.8665 3.8665 3.9212 3.9212 4.3047 4.3047 4.3334 4.3334 6.3793 6.3793 6.3997 6.3997 7.8276 7.8276 7.8727 7.8727 k = 0.1204-0.2668 0.6598 ( 20732 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0029 -9.0029 -9.0005 -9.0005 -7.4080 -7.4080 -7.4027 -7.4027 -4.7049 -4.7049 -4.7008 -4.7008 0.5467 0.5467 0.5736 0.5736 1.3572 1.3572 1.4140 1.4140 1.7189 1.7189 1.8105 1.8105 3.1869 3.1869 3.3024 3.3024 3.8747 3.8747 3.9295 3.9295 4.2601 4.2601 4.2960 4.2960 6.4002 6.4002 6.4200 6.4200 7.9290 7.9290 7.9804 7.9804 k = 0.1118-0.2478 0.6598 ( 20732 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0143 -9.0143 -9.0118 -9.0118 -7.3958 -7.3958 -7.3905 -7.3905 -4.6811 -4.6811 -4.6769 -4.6769 0.5177 0.5177 0.5444 0.5444 1.3164 1.3164 1.3725 1.3725 1.7227 1.7227 1.8118 1.8118 3.1733 3.1733 3.2871 3.2871 3.8777 3.8777 3.9385 3.9385 4.2148 4.2148 4.2626 4.2626 6.4219 6.4219 6.4411 6.4411 8.0202 8.0202 8.0770 8.0770 k = 0.1032-0.2287 0.6598 ( 20726 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0252 -9.0252 -9.0227 -9.0227 -7.3842 -7.3842 -7.3789 -7.3789 -4.6572 -4.6572 -4.6528 -4.6528 0.4871 0.4871 0.5133 0.5133 1.2745 1.2745 1.3292 1.3292 1.7324 1.7324 1.8187 1.8187 3.1620 3.1620 3.2739 3.2739 3.8736 3.8736 3.9467 3.9467 4.1711 4.1711 4.2347 4.2347 6.4440 6.4440 6.4625 6.4626 8.1000 8.1000 8.1603 8.1603 k = 0.0946-0.2097 0.6598 ( 20732 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0356 -9.0356 -9.0331 -9.0331 -7.3732 -7.3732 -7.3678 -7.3678 -4.6334 -4.6334 -4.6290 -4.6290 0.4554 0.4554 0.4806 0.4806 1.2338 1.2338 1.2868 1.2868 1.7454 1.7454 1.8293 1.8293 3.1530 3.1530 3.2630 3.2630 3.8615 3.8615 3.9505 3.9505 4.1323 4.1323 4.2135 4.2135 6.4662 6.4662 6.4841 6.4842 8.1681 8.1681 8.2293 8.2293 k = 0.0860-0.1906 0.6598 ( 20730 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0453 -9.0453 -9.0429 -9.0429 -7.3630 -7.3630 -7.3576 -7.3576 -4.6102 -4.6102 -4.6057 -4.6057 0.4231 0.4231 0.4469 0.4469 1.1957 1.1957 1.2469 1.2469 1.7603 1.7603 1.8422 1.8422 3.1468 3.1468 3.2547 3.2547 3.8417 3.8417 3.9444 3.9444 4.1038 4.1038 4.1993 4.1993 6.4881 6.4881 6.5055 6.5055 8.2252 8.2252 8.2846 8.2846 k = 0.0774-0.1715 0.6598 ( 20728 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0544 -9.0544 -9.0520 -9.0520 -7.3535 -7.3535 -7.3481 -7.3481 -4.5879 -4.5879 -4.5833 -4.5833 0.3906 0.3906 0.4128 0.4128 1.1613 1.1613 1.2104 1.2104 1.7759 1.7759 1.8564 1.8564 3.1432 3.1432 3.2488 3.2488 3.8155 3.8155 3.9240 3.9240 4.0899 4.0899 4.1913 4.1913 6.5094 6.5094 6.5263 6.5263 8.2725 8.2725 8.3283 8.3283 k = 0.0688-0.1525 0.6598 ( 20742 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0627 -9.0627 -9.0603 -9.0603 -7.3449 -7.3449 -7.3395 -7.3395 -4.5667 -4.5667 -4.5621 -4.5621 0.3589 0.3589 0.3791 0.3791 1.1309 1.1309 1.1778 1.1778 1.7915 1.7915 1.8710 1.8710 3.1424 3.1424 3.2453 3.2453 3.7849 3.7849 3.8916 3.8916 4.0884 4.0884 4.1883 4.1883 6.5296 6.5296 6.5462 6.5462 8.3114 8.3114 8.3624 8.3624 k = 0.0602-0.1334 0.6598 ( 20750 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0701 -9.0701 -9.0677 -9.0677 -7.3372 -7.3372 -7.3318 -7.3318 -4.5471 -4.5471 -4.5424 -4.5424 0.3285 0.3285 0.3465 0.3465 1.1046 1.1046 1.1494 1.1494 1.8064 1.8064 1.8852 1.8852 3.1442 3.1442 3.2440 3.2440 3.7521 3.7521 3.8530 3.8530 4.0937 4.0937 4.1885 4.1885 6.5486 6.5486 6.5647 6.5647 8.3436 8.3436 8.3893 8.3893 k = 0.0516-0.1144 0.6598 ( 20748 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0767 -9.0767 -9.0743 -9.0743 -7.3305 -7.3305 -7.3250 -7.3250 -4.5293 -4.5293 -4.5245 -4.5245 0.3004 0.3004 0.3160 0.3160 1.0824 1.0824 1.1251 1.1251 1.8203 1.8203 1.8986 1.8986 3.1486 3.1486 3.2445 3.2445 3.7193 3.7193 3.8127 3.8127 4.1016 4.1016 4.1908 4.1908 6.5658 6.5658 6.5816 6.5816 8.3701 8.3701 8.4104 8.4104 k = 0.0430-0.0953 0.6598 ( 20742 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0823 -9.0823 -9.0799 -9.0799 -7.3247 -7.3247 -7.3192 -7.3192 -4.5137 -4.5137 -4.5088 -4.5088 0.2753 0.2753 0.2885 0.2885 1.0641 1.0641 1.1050 1.1050 1.8327 1.8327 1.9108 1.9108 3.1550 3.1550 3.2462 3.2462 3.6884 3.6884 3.7736 3.7736 4.1100 4.1100 4.1940 4.1940 6.5810 6.5810 6.5965 6.5965 8.3919 8.3919 8.4269 8.4269 k = 0.0344-0.0762 0.6598 ( 20748 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0870 -9.0870 -9.0846 -9.0846 -7.3200 -7.3200 -7.3145 -7.3145 -4.5004 -4.5004 -4.4955 -4.4955 0.2539 0.2539 0.2646 0.2646 1.0495 1.0495 1.0888 1.0888 1.8433 1.8433 1.9212 1.9212 3.1631 3.1631 3.2486 3.2486 3.6612 3.6612 3.7374 3.7374 4.1178 4.1178 4.1975 4.1975 6.5939 6.5939 6.6092 6.6092 8.4094 8.4094 8.4394 8.4394 k = 0.0258-0.0572 0.6598 ( 20732 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0906 -9.0906 -9.0883 -9.0883 -7.3162 -7.3162 -7.3107 -7.3107 -4.4899 -4.4899 -4.4849 -4.4849 0.2368 0.2368 0.2451 0.2451 1.0384 1.0384 1.0764 1.0764 1.8518 1.8518 1.9296 1.9296 3.1718 3.1718 3.2508 3.2508 3.6393 3.6393 3.7057 3.7057 4.1243 4.1243 4.2007 4.2007 6.6041 6.6041 6.6193 6.6193 8.4230 8.4230 8.4485 8.4485 k = 0.0172-0.0381 0.6598 ( 20728 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0933 -9.0933 -9.0909 -9.0909 -7.3136 -7.3136 -7.3081 -7.3081 -4.4822 -4.4822 -4.4772 -4.4772 0.2245 0.2245 0.2305 0.2305 1.0305 1.0305 1.0676 1.0676 1.8580 1.8580 1.9358 1.9358 3.1799 3.1799 3.2522 3.2522 3.6238 3.6238 3.6804 3.6804 4.1291 4.1291 4.2031 4.2031 6.6117 6.6117 6.6267 6.6267 8.4329 8.4329 8.4546 8.4546 k = 0.0086-0.0191 0.6598 ( 20732 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0949 -9.0949 -9.0925 -9.0925 -7.3120 -7.3120 -7.3065 -7.3065 -4.4775 -4.4775 -4.4725 -4.4725 0.2172 0.2172 0.2213 0.2213 1.0259 1.0259 1.0624 1.0624 1.8618 1.8618 1.9396 1.9396 3.1859 3.1859 3.2529 3.2529 3.6151 3.6151 3.6635 3.6635 4.1321 4.1321 4.2047 4.2047 6.6162 6.6162 6.6312 6.6312 8.4389 8.4389 8.4581 8.4581 k = 0.0000 0.0000 0.6598 ( 20730 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0954 -9.0954 -9.0930 -9.0930 -7.3114 -7.3114 -7.3059 -7.3059 -4.4760 -4.4760 -4.4710 -4.4710 0.2149 0.2149 0.2181 0.2181 1.0244 1.0244 1.0606 1.0606 1.8631 1.8631 1.9409 1.9409 3.1881 3.1881 3.2530 3.2530 3.6124 3.6124 3.6574 3.6574 4.1331 4.1331 4.2053 4.2053 6.6177 6.6177 6.6328 6.6328 8.4410 8.4410 8.4592 8.4592 k = 0.0000 0.0000 0.6598 ( 20730 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0954 -9.0954 -9.0930 -9.0930 -7.3114 -7.3114 -7.3059 -7.3059 -4.4760 -4.4760 -4.4710 -4.4710 0.2149 0.2149 0.2181 0.2181 1.0244 1.0244 1.0606 1.0606 1.8631 1.8631 1.9409 1.9409 3.1881 3.1881 3.2530 3.2530 3.6124 3.6124 3.6574 3.6574 4.1331 4.1331 4.2053 4.2053 6.6177 6.6177 6.6328 6.6328 8.4410 8.4410 8.4592 8.4592 k = 0.0186 0.0084 0.6598 ( 20730 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.1086 -9.1062 -9.0818 -9.0794 -7.3153 -7.3099 -7.3087 -7.3031 -4.4823 -4.4774 -4.4681 -4.4630 0.1924 0.1952 0.2363 0.2400 0.9815 1.0179 1.0688 1.1047 1.8471 1.8789 1.9277 1.9539 3.1729 3.2027 3.2402 3.2661 3.5706 3.6144 3.6586 3.7033 4.0899 4.1646 4.1746 4.2432 6.5511 6.5664 6.6842 6.6991 8.3294 8.3491 8.5473 8.5633 k = 0.0372 0.0168 0.6598 ( 20734 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.1214 -9.1191 -9.0677 -9.0653 -7.3204 -7.3149 -7.3071 -7.3015 -4.4870 -4.4822 -4.4589 -4.4537 0.1692 0.1717 0.2564 0.2607 0.9410 0.9774 1.1140 1.1495 1.8305 1.8950 1.9137 1.9673 3.1573 3.2161 3.2280 3.2793 3.5338 3.5746 3.7084 3.7511 4.0454 4.1219 4.2139 4.2780 6.4846 6.5005 6.7501 6.7650 8.2166 8.2373 8.6435 8.6568 k = 0.0557 0.0251 0.6598 ( 20734 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.1339 -9.1316 -9.0532 -9.0507 -7.3264 -7.3211 -7.3066 -7.3010 -4.4897 -4.4851 -4.4487 -4.4435 0.1454 0.1477 0.2750 0.2800 0.9036 0.9397 1.1591 1.1941 1.8129 1.8985 1.9119 1.9817 3.1419 3.2168 3.2282 3.2923 3.5027 3.5386 3.7607 3.8002 4.0001 4.0777 4.2507 4.3089 6.4188 6.4355 6.8153 6.8305 8.1056 8.1267 8.7246 8.7351 k = 0.0743 0.0335 0.6598 ( 20729 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.1462 -9.1439 -9.0381 -9.0356 -7.3335 -7.3282 -7.3072 -7.3016 -4.4904 -4.4859 -4.4378 -4.4325 0.1214 0.1235 0.2916 0.2975 0.8699 0.9055 1.2035 1.2379 1.7939 1.8815 1.9297 1.9974 3.1272 3.2069 3.2386 3.3046 3.4774 3.5067 3.8142 3.8490 3.9548 4.0331 4.2845 4.3352 6.3545 6.3721 6.8796 6.8952 7.9987 8.0196 8.7874 8.7954 k = 0.0929 0.0419 0.6598 ( 20722 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.1582 -9.1560 -9.0225 -9.0199 -7.3414 -7.3362 -7.3089 -7.3033 -4.4890 -4.4846 -4.4265 -4.4212 0.0972 0.0991 0.3061 0.3132 0.8407 0.8754 1.2465 1.2801 1.7731 1.8622 1.9490 2.0149 3.1137 3.1986 3.2472 3.3162 3.4579 3.4791 3.8661 3.8874 3.9193 3.9903 4.3150 4.3564 6.2927 6.3112 6.9428 6.9592 7.8976 7.9178 8.8308 8.8371 k = 0.1115 0.0503 0.6598 ( 20719 PWs) bands (ev): -40.5207 -40.5207 -40.5206 -40.5206 -9.1701 -9.1679 -9.0062 -9.0037 -7.3502 -7.3449 -7.3117 -7.3059 -4.4853 -4.4810 -4.4151 -4.4098 0.0730 0.0749 0.3184 0.3268 0.8163 0.8500 1.2872 1.3204 1.7505 1.8405 1.9697 2.0346 3.1020 3.1921 3.2541 3.3266 3.4439 3.4555 3.8566 3.8991 3.9518 3.9662 4.3419 4.3718 6.2344 6.2538 7.0051 7.0223 7.8036 7.8223 8.8533 8.8587 k = 0.1300 0.0586 0.6598 ( 20731 PWs) bands (ev): -40.5207 -40.5207 -40.5206 -40.5206 -9.1820 -9.1797 -8.9894 -8.9868 -7.3596 -7.3544 -7.3154 -7.3096 -4.4793 -4.4751 -4.4040 -4.3986 0.0491 0.0508 0.3285 0.3384 0.7970 0.8294 1.3253 1.3580 1.7258 1.8161 1.9919 2.0564 3.0924 3.1876 3.2597 3.3356 3.4345 3.4359 3.8121 3.8748 3.9957 3.9984 4.3652 4.3810 6.1808 6.2010 7.0661 7.0844 7.7176 7.7342 8.8475 8.8516 k = 0.1486 0.0670 0.6598 ( 20733 PWs) bands (ev): -40.5207 -40.5207 -40.5206 -40.5206 -9.1938 -9.1916 -8.9720 -8.9693 -7.3695 -7.3643 -7.3199 -7.3141 -4.4711 -4.4670 -4.3934 -4.3881 0.0254 0.0271 0.3367 0.3483 0.7828 0.8137 1.3602 1.3928 1.6991 1.7890 2.0153 2.0804 3.0853 3.1853 3.2644 3.3430 3.4197 3.4288 3.7681 3.8318 4.0360 4.0479 4.3839 4.3853 6.1332 6.1540 7.1260 7.1454 7.6403 7.6541 8.8191 8.8216 k = 0.1672 0.0754 0.6598 ( 20728 PWs) bands (ev): -40.5207 -40.5207 -40.5206 -40.5206 -9.2057 -9.2035 -8.9540 -8.9512 -7.3797 -7.3746 -7.3252 -7.3194 -4.4605 -4.4565 -4.3837 -4.3785 0.0022 0.0038 0.3435 0.3568 0.7734 0.8027 1.3916 1.4244 1.6706 1.7595 2.0398 2.1063 3.0806 3.1853 3.2688 3.3485 3.4061 3.4255 3.7261 3.7869 4.0700 4.0966 4.3809 4.4032 6.0929 6.1139 7.1847 7.2053 7.5721 7.5824 8.7844 8.7858 k = 0.1858 0.0838 0.6598 ( 20727 PWs) bands (ev): -40.5207 -40.5207 -40.5206 -40.5206 -9.2177 -9.2155 -8.9353 -8.9325 -7.3902 -7.3851 -7.3313 -7.3254 -4.4477 -4.4438 -4.3753 -4.3701 -0.0204 -0.0190 0.3497 0.3646 0.7683 0.7959 1.4192 1.4527 1.6405 1.7277 2.0646 2.1337 3.0780 3.1872 3.2733 3.3513 3.3948 3.4237 3.6875 3.7427 4.0951 4.1401 4.3739 4.4203 6.0608 6.0816 7.2420 7.2640 7.5134 7.5195 8.7490 8.7497 k = 0.2043 0.0922 0.6598 ( 20712 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.2299 -9.2277 -8.9160 -8.9131 -7.4006 -7.3955 -7.3379 -7.3321 -4.4327 -4.4289 -4.3684 -4.3633 -0.0425 -0.0411 0.3560 0.3725 0.7667 0.7926 1.4431 1.4776 1.6092 1.6942 2.0893 2.1620 3.0770 3.1906 3.2781 3.3499 3.3859 3.4224 3.6540 3.7009 4.1092 4.1733 4.3669 4.4384 6.0378 6.0578 7.2979 7.3214 7.4644 7.4658 8.7148 8.7150 k = 0.2229 0.1005 0.6598 ( 20699 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.2423 -9.2401 -8.8960 -8.8932 -7.4109 -7.4059 -7.3451 -7.3392 -4.4155 -4.4118 -4.3633 -4.3584 -0.0639 -0.0625 0.3634 0.3812 0.7677 0.7921 1.4629 1.4988 1.5772 1.6593 2.1132 2.1906 3.0768 3.1944 3.2831 3.3422 3.3802 3.4207 3.6272 3.6629 4.1110 4.1893 4.3669 4.4589 6.0240 6.0427 7.3522 7.3773 7.4214 7.4252 8.6827 8.6830 k = 0.2415 0.1089 0.6598 ( 20703 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.2550 -9.2528 -8.8755 -8.8725 -7.4209 -7.4158 -7.3526 -7.3467 -4.3963 -4.3927 -4.3603 -4.3555 -0.0845 -0.0832 0.3726 0.3916 0.7706 0.7935 1.4786 1.5152 1.5462 1.6239 2.1357 2.2188 3.0762 3.1969 3.2879 3.3289 3.3768 3.4178 3.6090 3.6307 4.1008 4.1832 4.3791 4.4817 6.0195 6.0364 7.3854 7.3958 7.4062 7.4318 8.6535 8.6543 k = 0.2601 0.1173 0.6598 ( 20712 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.2681 -9.2659 -8.8543 -8.8513 -7.4303 -7.4253 -7.3605 -7.3546 -4.3752 -4.3716 -4.3595 -4.3549 -0.1043 -0.1030 0.3843 0.4041 0.7746 0.7962 1.4898 1.5085 1.5349 1.5886 2.1563 2.2460 3.0740 3.1944 3.2917 3.3137 3.3743 3.4132 3.6002 3.6065 4.0803 4.1589 4.4003 4.5060 6.0236 6.0386 7.3609 7.3765 7.4567 7.4845 8.6281 8.6293 k = 0.2786 0.1257 0.6598 ( 20710 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.2816 -9.2795 -8.8325 -8.8295 -7.4391 -7.4341 -7.3686 -7.3627 -4.3615 -4.3571 -4.3519 -4.3483 -0.1232 -0.1220 0.3989 0.4192 0.7791 0.7992 1.4793 1.4958 1.5429 1.5547 2.1749 2.2717 3.0688 3.1826 3.2931 3.3007 3.3727 3.4073 3.5923 3.6006 4.0517 4.1234 4.4243 4.5305 6.0358 6.0488 7.3456 7.3668 7.5060 7.5354 8.6071 8.6088 k = 0.2972 0.1341 0.6598 ( 20707 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.2956 -9.2934 -8.8102 -8.8071 -7.4470 -7.4420 -7.3769 -7.3709 -4.3656 -4.3614 -4.3274 -4.3238 -0.1412 -0.1401 0.4165 0.4372 0.7834 0.8020 1.4504 1.4940 1.5250 1.5476 2.1914 2.2956 3.0593 3.1593 3.2896 3.2905 3.3742 3.4029 3.5888 3.6089 4.0174 4.0820 4.4471 4.5540 6.0552 6.0664 7.3402 7.3669 7.5535 7.5843 8.5910 8.5933 k = 0.3158 0.1424 0.6598 ( 20701 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.3101 -9.3079 -8.7873 -8.7842 -7.4540 -7.4490 -7.3852 -7.3792 -4.3725 -4.3685 -4.3011 -4.2975 -0.1583 -0.1572 0.4373 0.4581 0.7871 0.8041 1.4240 1.4776 1.5069 1.5469 2.2064 2.3178 3.0446 3.1267 3.2790 3.2794 3.3815 3.4038 3.5947 3.6235 3.9794 4.0375 4.4667 4.5753 6.0810 6.0909 7.3448 7.3763 7.5990 7.6311 8.5802 8.5832 k = 0.3344 0.1508 0.6598 ( 20705 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.3250 -9.3229 -8.7640 -8.7607 -7.4599 -7.4550 -7.3935 -7.3875 -4.3821 -4.3783 -4.2734 -4.2698 -0.1745 -0.1734 0.4609 0.4814 0.7897 0.8050 1.4013 1.4522 1.4948 1.5398 2.2205 2.3384 3.0246 3.0883 3.2616 3.2644 3.3956 3.4118 3.6083 3.6428 3.9392 3.9917 4.4822 4.5938 6.1123 6.1215 7.3591 7.3948 7.6423 7.6756 8.5750 8.5789 k = 0.5000 0.2255-0.2341 ( 20654 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8073 -9.8073 -7.8754 -7.8754 -7.6531 -7.6531 -7.5426 -7.5426 -4.5290 -4.5290 -3.2941 -3.2941 -0.7421 -0.7421 -0.5903 -0.5903 1.0619 1.0619 1.3564 1.3564 1.9375 1.9375 2.0058 2.0058 2.6706 2.6706 2.7601 2.7601 3.1928 3.1928 3.3528 3.3528 4.1424 4.1424 4.3748 4.3748 7.4791 7.4791 7.5349 7.5349 7.9467 7.9467 8.3363 8.3363 k = 0.5086 0.2064-0.2341 ( 20656 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8067 -9.8066 -7.8762 -7.8761 -7.6536 -7.6533 -7.5423 -7.5422 -4.5301 -4.5296 -3.2962 -3.2960 -0.7510 -0.7432 -0.5847 -0.5773 1.0611 1.0634 1.3515 1.3579 1.8966 1.9367 2.0092 2.0506 2.6635 2.6780 2.7534 2.7677 3.1889 3.1967 3.3489 3.3574 4.1328 4.1526 4.3710 4.3769 7.4711 7.4815 7.5311 7.5438 7.9462 7.9471 8.3368 8.3412 k = 0.5173 0.1872-0.2341 ( 20656 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8048 -9.8047 -7.8785 -7.8783 -7.6547 -7.6542 -7.5414 -7.5412 -4.5329 -4.5320 -3.3021 -3.3018 -0.7657 -0.7528 -0.5620 -0.5499 1.0609 1.0657 1.3432 1.3561 1.8537 1.8981 2.0568 2.1038 2.6564 2.6859 2.7478 2.7764 3.1853 3.2009 3.3459 3.3627 4.1239 4.1630 4.3655 4.3774 7.4597 7.4764 7.5341 7.5553 7.9458 7.9476 8.3425 8.3511 k = 0.5259 0.1681-0.2341 ( 20650 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8016 -9.8014 -7.8824 -7.8821 -7.6563 -7.6557 -7.5397 -7.5395 -4.5374 -4.5360 -3.3117 -3.3113 -0.7815 -0.7660 -0.5273 -0.5129 1.0611 1.0686 1.3315 1.3511 1.8128 1.8587 2.1117 2.1610 2.6491 2.6943 2.7435 2.7864 3.1821 3.2054 3.3440 3.3685 4.1156 4.1730 4.3585 4.3768 7.4456 7.4654 7.5416 7.5682 7.9456 7.9482 8.3531 8.3660 k = 0.5345 0.1490-0.2341 ( 20652 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.7971 -9.7969 -7.8880 -7.8876 -7.6584 -7.6575 -7.5374 -7.5371 -4.5434 -4.5416 -3.3250 -3.3245 -0.7960 -0.7790 -0.4845 -0.4690 1.0613 1.0719 1.3168 1.3432 1.7747 1.8220 2.1701 2.2212 2.6411 2.7025 2.7416 2.7977 3.1797 3.2106 3.3436 3.3749 4.1077 4.1817 4.3505 4.3757 7.4286 7.4499 7.5512 7.5815 7.9460 7.9491 8.3680 8.3852 k = 0.5432 0.1298-0.2341 ( 20647 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.7914 -9.7912 -7.8954 -7.8949 -7.6605 -7.6596 -7.5344 -7.5340 -4.5511 -4.5489 -3.3416 -3.3410 -0.8080 -0.7901 -0.4358 -0.4198 1.0611 1.0753 1.2993 1.3328 1.7395 1.7886 2.2309 2.2833 2.6322 2.7086 2.7443 2.8107 3.1785 3.2170 3.3449 3.3820 4.0998 4.1879 4.3424 4.3750 7.4078 7.4301 7.5612 7.5949 7.9471 7.9507 8.3866 8.4080 k = 0.5518 0.1107-0.2341 ( 20657 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.7846 -9.7842 -7.9048 -7.9042 -7.6626 -7.6615 -7.5307 -7.5303 -4.5602 -4.5577 -3.3614 -3.3606 -0.8170 -0.7985 -0.3824 -0.3661 1.0598 1.0784 1.2795 1.3205 1.7074 1.7587 2.2934 2.3461 2.6223 2.7114 2.7537 2.8257 3.1792 3.2249 3.3481 3.3900 4.0915 4.1900 4.3350 4.3759 7.3821 7.4053 7.5709 7.6075 7.9494 7.9533 8.4078 8.4335 k = 0.5604 0.0916-0.2341 ( 20657 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.7766 -9.7762 -7.9164 -7.9157 -7.6643 -7.6631 -7.5264 -7.5260 -4.5708 -4.5679 -3.3838 -3.3829 -0.8228 -0.8040 -0.3251 -0.3087 1.0566 1.0803 1.2582 1.3070 1.6786 1.7323 2.3564 2.4074 2.6115 2.7122 2.7695 2.8432 3.1825 3.2349 3.3535 3.3992 4.0822 4.1868 4.3292 4.3795 7.3503 7.3740 7.5793 7.6188 7.9530 7.9574 8.4307 8.4606 k = 0.5690 0.0724-0.2341 ( 20661 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.7675 -9.7670 -7.9300 -7.9292 -7.6656 -7.6643 -7.5214 -7.5210 -4.5826 -4.5795 -3.4086 -3.4077 -0.8255 -0.8063 -0.2648 -0.2484 1.0508 1.0803 1.2363 1.2931 1.6532 1.7095 2.4184 2.4631 2.6007 2.7146 2.7909 2.8637 3.1895 3.2479 3.3613 3.4097 4.0713 4.1780 4.3256 4.3865 7.3108 7.3350 7.5861 7.6281 7.9583 7.9634 8.4540 8.4881 k = 0.5777 0.0533-0.2341 ( 20663 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.7574 -9.7569 -7.9458 -7.9449 -7.6661 -7.6648 -7.5158 -7.5154 -4.5957 -4.5924 -3.4353 -3.4344 -0.8250 -0.8057 -0.2022 -0.1858 1.0416 1.0768 1.2155 1.2797 1.6313 1.6904 2.4765 2.5062 2.5930 2.7224 2.8178 2.8881 3.2010 3.2644 3.3717 3.4219 4.0585 4.1642 4.3242 4.3971 7.2625 7.2867 7.5905 7.6349 7.9655 7.9714 8.4760 8.5143 k = 0.5863 0.0342-0.2341 ( 20665 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.7463 -9.7458 -7.9636 -7.9627 -7.6660 -7.6646 -7.5096 -7.5092 -4.6100 -4.6065 -3.4636 -3.4626 -0.8215 -0.8020 -0.1382 -0.1219 1.0283 1.0681 1.1980 1.2679 1.6132 1.6750 2.5181 2.5337 2.5963 2.7395 2.8505 2.9169 3.2184 3.2853 3.3850 3.4360 4.0438 4.1467 4.3249 4.4107 7.2040 7.2281 7.5923 7.6386 7.9747 7.9817 8.4952 8.5375 k = 0.5949 0.0150-0.2341 ( 20669 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.7345 -9.7339 -7.9832 -7.9822 -7.6651 -7.6638 -7.5028 -7.5023 -4.6253 -4.6218 -3.4931 -3.4920 -0.8152 -0.7956 -0.0739 -0.0577 1.0106 1.0525 1.1860 1.2586 1.5988 1.6632 2.5170 2.5606 2.6186 2.7660 2.8888 2.9508 3.2429 3.3112 3.4013 3.4522 4.0277 4.1271 4.3278 4.4267 7.1346 7.1584 7.5911 7.6389 7.9859 7.9942 8.5096 8.5556 k = 0.6036-0.0041-0.2341 ( 20673 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.7219 -9.7213 -8.0045 -8.0034 -7.6636 -7.6623 -7.4953 -7.4949 -4.6416 -4.6380 -3.5232 -3.5221 -0.8061 -0.7865 -0.0105 0.0056 0.9886 1.0298 1.1804 1.2526 1.5882 1.6550 2.5024 2.5657 2.6553 2.7974 2.9307 2.9889 3.2756 3.3425 3.4212 3.4708 4.0109 4.1071 4.3326 4.4444 7.0541 7.0771 7.5866 7.6356 7.9991 8.0087 8.5171 8.5666 k = 0.6122-0.0232-0.2341 ( 20691 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.7087 -9.7080 -8.0270 -8.0260 -7.6614 -7.6601 -7.4874 -7.4869 -4.6588 -4.6553 -3.5535 -3.5524 -0.7945 -0.7748 0.0506 0.0666 0.9627 1.0014 1.1811 1.2508 1.5813 1.6501 2.4835 2.5584 2.6936 2.8295 2.9735 3.0291 3.3163 3.3780 3.4463 3.4924 3.9950 4.0885 4.3391 4.4633 6.9624 6.9846 7.5787 7.6285 8.0141 8.0249 8.5157 8.5682 k = 0.6208-0.0424-0.2341 ( 20687 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.6951 -9.6944 -8.0506 -8.0495 -7.6587 -7.6574 -7.4788 -7.4783 -4.6769 -4.6734 -3.5837 -3.5825 -0.7806 -0.7609 0.1076 0.1237 0.9334 0.9691 1.1877 1.2541 1.5777 1.6483 2.4626 2.5453 2.7294 2.8609 3.0149 3.0689 3.3620 3.4139 3.4794 3.5179 3.9821 4.0739 4.3471 4.4831 6.8605 6.8817 7.5672 7.6175 8.0307 8.0428 8.5032 8.5584 k = 0.6295-0.0615-0.2341 ( 20683 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.6812 -9.6805 -8.0748 -8.0737 -7.6555 -7.6543 -7.4698 -7.4692 -4.6958 -4.6924 -3.6133 -3.6120 -0.7644 -0.7448 0.1589 0.1753 0.9014 0.9341 1.2005 1.2635 1.5771 1.6492 2.4408 2.5286 2.7630 2.8916 3.0539 3.1066 3.4063 3.4456 3.5229 3.5497 3.9751 4.0660 4.3562 4.5035 6.7493 6.7697 7.5522 7.6028 8.0485 8.0618 8.4781 8.5354 k = 0.6381-0.0807-0.2341 ( 20689 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.6671 -9.6664 -8.0993 -8.0982 -7.6520 -7.6508 -7.4603 -7.4597 -4.7153 -4.7121 -3.6420 -3.6406 -0.7463 -0.7268 0.2029 0.2196 0.8675 0.8975 1.2202 1.2802 1.5792 1.6523 2.4186 2.5099 2.7950 2.9220 3.0900 3.1416 3.4416 3.4704 3.5738 3.5896 3.9778 4.0689 4.3665 4.5247 6.6304 6.6500 7.5336 7.5843 8.0673 8.0820 8.4395 8.4985 k = 0.6467-0.0998-0.2341 ( 20705 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.6532 -9.6525 -8.1237 -8.1227 -7.6482 -7.6470 -7.4504 -7.4496 -4.7355 -4.7326 -3.6694 -3.6677 -0.7265 -0.7071 0.2381 0.2552 0.8322 0.8599 1.2478 1.3047 1.5835 1.6574 2.3966 2.4897 2.8264 2.9527 3.1236 3.1741 3.4658 3.4859 3.6264 3.6360 3.9939 4.0866 4.3779 4.5465 6.5058 6.5246 7.5115 7.5623 8.0864 8.1029 8.3873 8.4477 k = 0.6554-0.1189-0.2341 ( 20719 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.6395 -9.6388 -8.1477 -8.1467 -7.6442 -7.6430 -7.4401 -7.4392 -4.7562 -4.7536 -3.6952 -3.6932 -0.7052 -0.6860 0.2638 0.2814 0.7958 0.8217 1.2835 1.3373 1.5898 1.6642 2.3751 2.4686 2.8577 2.9841 3.1550 3.2044 3.4805 3.4906 3.6757 3.6842 4.0251 4.1213 4.3911 4.5695 6.3774 6.3956 7.4860 7.5368 8.1052 8.1243 8.3226 8.3850 k = 0.6640-0.1381-0.2341 ( 20725 PWs) bands (ev): -40.5208 -40.5208 -40.5205 -40.5205 -9.6264 -9.6258 -8.1707 -8.1698 -7.6402 -7.6389 -7.4295 -7.4285 -4.7775 -4.7751 -3.7190 -3.7167 -0.6826 -0.6638 0.2801 0.2979 0.7589 0.7833 1.3274 1.3771 1.5980 1.6726 2.3543 2.4471 2.8895 3.0162 3.1841 3.2327 3.4831 3.4895 3.7207 3.7306 4.0698 4.1708 4.4075 4.5940 6.2478 6.2652 7.4573 7.5081 8.1212 8.1452 8.2483 8.3145 k = 0.6726-0.1572-0.2341 ( 20723 PWs) bands (ev): -40.5208 -40.5208 -40.5205 -40.5205 -9.6141 -9.6135 -8.1925 -8.1918 -7.6362 -7.6348 -7.4186 -7.4174 -4.7991 -4.7971 -3.7405 -3.7380 -0.6592 -0.6408 0.2875 0.3053 0.7216 0.7448 1.3784 1.4218 1.6081 1.6829 2.3348 2.4253 2.9219 3.0491 3.2102 3.2584 3.4698 3.4906 3.7627 3.7746 4.1227 4.2275 4.4302 4.6207 6.1195 6.1359 7.4256 7.4765 8.1251 8.1483 8.1847 8.2480 k = 0.6812-0.1763-0.2341 ( 20719 PWs) bands (ev): -40.5208 -40.5208 -40.5205 -40.5205 -9.6028 -9.6022 -8.2127 -8.2120 -7.6322 -7.6307 -7.4074 -7.4061 -4.8210 -4.8194 -3.7597 -3.7568 -0.6352 -0.6173 0.2873 0.3050 0.6842 0.7065 1.4350 1.4678 1.6207 1.6967 2.3167 2.4037 2.9551 3.0827 3.2312 3.2806 3.4516 3.4902 3.8030 3.8174 4.1767 4.2797 4.4652 4.6499 5.9958 6.0107 7.3909 7.4424 8.0687 8.0908 8.1970 8.2180 k = 0.6899-0.1955-0.2341 ( 20729 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.5928 -9.5923 -8.2308 -8.2303 -7.6283 -7.6267 -7.3961 -7.3947 -4.8430 -4.8418 -3.7763 -3.7730 -0.6110 -0.5938 0.2812 0.2985 0.6469 0.6685 1.4943 1.5098 1.6368 1.7166 2.3004 2.3825 2.9891 3.1165 3.2439 3.2970 3.4345 3.4922 3.8419 3.8596 4.2254 4.3178 4.5159 4.6815 5.8804 5.8931 7.3536 7.4060 7.9802 8.0167 8.2192 8.2252 k = 0.3101-0.6876 0.0000 ( 20729 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.5928 -9.5923 -8.2308 -8.2303 -7.6283 -7.6267 -7.3961 -7.3947 -4.8430 -4.8418 -3.7763 -3.7730 -0.6110 -0.5938 0.2812 0.2985 0.6469 0.6685 1.4943 1.5098 1.6368 1.7166 2.3004 2.3825 2.9891 3.1165 3.2439 3.2970 3.4345 3.4922 3.8419 3.8596 4.2254 4.3178 4.5159 4.6815 5.8804 5.8931 7.3536 7.4060 7.9802 8.0167 8.2192 8.2252 k = 0.3015-0.6685 0.0000 ( 20737 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.5844 -9.5840 -8.2465 -8.2461 -7.6245 -7.6229 -7.3847 -7.3832 -4.8651 -4.8643 -3.7900 -3.7864 -0.5871 -0.5709 0.2708 0.2876 0.6098 0.6309 1.5422 1.5519 1.6575 1.7469 2.2864 2.3621 3.0236 3.1491 3.2453 3.3027 3.4272 3.5004 3.8786 3.9005 4.2635 4.3419 4.5769 4.7135 5.7775 5.7877 7.3139 7.3679 7.8932 7.9355 8.2417 8.2439 k = 0.2929-0.6494 0.0000 ( 20731 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.5778 -9.5774 -8.2595 -8.2592 -7.6210 -7.6193 -7.3733 -7.3716 -4.8871 -4.8866 -3.8010 -3.7970 -0.5641 -0.5491 0.2576 0.2741 0.5731 0.5938 1.5637 1.5987 1.6874 1.7890 2.2753 2.3429 3.0579 3.1760 3.2375 3.2953 3.4361 3.5164 3.9117 3.9386 4.2889 4.3575 4.6370 4.7423 5.6905 5.7011 7.2722 7.3286 7.8121 7.8586 8.2636 8.2663 k = 0.2843-0.6303 0.0000 ( 20735 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.5732 -9.5729 -8.2695 -8.2693 -7.6178 -7.6159 -7.3620 -7.3601 -4.9089 -4.9085 -3.8090 -3.8046 -0.5425 -0.5291 0.2432 0.2598 0.5368 0.5574 1.5767 1.6254 1.7322 1.8388 2.2679 2.3260 3.0901 3.1822 3.2300 3.2876 3.4578 3.5389 3.9388 3.9715 4.3024 4.3676 4.6869 4.7630 5.6233 5.6400 7.2295 7.2891 7.7406 7.7911 8.2860 8.2894 k = 0.2757-0.6112 0.0000 ( 20735 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.5708 -9.5706 -8.2763 -8.2761 -7.6148 -7.6128 -7.3507 -7.3487 -4.9306 -4.9298 -3.8140 -3.8093 -0.5230 -0.5114 0.2289 0.2462 0.5012 0.5218 1.5838 1.6371 1.7850 1.8900 2.2654 2.3130 3.1140 3.1606 3.2239 3.3005 3.4861 3.5660 3.9573 3.9965 4.3073 4.3722 4.7203 4.7720 5.5811 5.6069 7.1871 7.2505 7.6819 7.7367 8.3087 8.3124 k = 0.2671-0.5921 0.0000 ( 20737 PWs) bands (ev): -40.5207 -40.5207 -40.5206 -40.5206 -9.5707 -9.5706 -8.2798 -8.2794 -7.6121 -7.6100 -7.3396 -7.3375 -4.9516 -4.9506 -3.8161 -3.8110 -0.5064 -0.4970 0.2158 0.2348 0.4665 0.4873 1.5865 1.6415 1.8357 1.9365 2.2686 2.3072 3.1152 3.1269 3.2282 3.3287 3.5171 3.5960 3.9644 4.0105 4.3065 4.3707 4.7356 4.7693 5.5663 5.6005 7.1471 7.2147 7.6384 7.6980 8.3314 8.3352 k = 0.2584-0.5730 0.0000 ( 20731 PWs) bands (ev): -40.5207 -40.5207 -40.5206 -40.5206 -9.5730 -9.5729 -8.2798 -8.2791 -7.6098 -7.6076 -7.3287 -7.3265 -4.9720 -4.9705 -3.8153 -3.8099 -0.4933 -0.4865 0.2049 0.2267 0.4327 0.4540 1.5855 1.6421 1.8775 1.9736 2.2774 2.3139 3.0844 3.0944 3.2525 3.3608 3.5483 3.6273 3.9589 4.0120 4.3014 4.3630 4.7366 4.7577 5.5762 5.6158 7.1117 7.1834 7.6121 7.6764 8.3540 8.3576 k = 0.2498-0.5539 0.0000 ( 20733 PWs) bands (ev): -40.5207 -40.5207 -40.5206 -40.5206 -9.5777 -9.5776 -8.2763 -8.2754 -7.6079 -7.6056 -7.3181 -7.3158 -4.9914 -4.9896 -3.8117 -3.8059 -0.4843 -0.4803 0.1968 0.2227 0.4002 0.4224 1.5806 1.6400 1.9060 1.9981 2.2925 2.3364 3.0412 3.0592 3.2863 3.3923 3.5771 3.6585 3.9422 4.0015 4.2921 4.3494 4.7287 4.7410 5.6058 5.6474 7.0829 7.1577 7.6047 7.6732 8.3762 8.3795 k = 0.2412-0.5348 0.0000 ( 20733 PWs) bands (ev): -40.5207 -40.5207 -40.5206 -40.5206 -9.5848 -9.5845 -8.2693 -8.2681 -7.6063 -7.6039 -7.3079 -7.3055 -5.0098 -5.0076 -3.8052 -3.7992 -0.4799 -0.4788 0.1917 0.2232 0.3692 0.3930 1.5719 1.6358 1.9189 2.0101 2.3170 2.3713 2.9959 3.0205 3.3227 3.4209 3.5996 3.6883 3.9195 3.9824 4.2776 4.3301 4.7134 4.7234 5.6500 5.6908 7.0616 7.1379 7.6172 7.6888 8.3982 8.4009 k = 0.2326-0.5157 0.0000 ( 20729 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.5940 -9.5937 -8.2589 -8.2576 -7.6051 -7.6026 -7.2980 -7.2955 -5.0270 -5.0245 -3.7961 -3.7899 -0.4821 -0.4799 0.1892 0.2278 0.3401 0.3666 1.5592 1.6293 1.9175 2.0119 2.3511 2.4129 2.9501 2.9812 3.3583 3.4445 3.6100 3.7149 3.8995 3.9608 4.2577 4.3055 4.6904 4.7060 5.7060 5.7442 7.0478 7.1236 7.6503 7.7234 8.4196 8.4218 k = 0.2240-0.4966 0.0000 ( 20719 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.6053 -9.6049 -8.2454 -8.2439 -7.6043 -7.6018 -7.2885 -7.2860 -5.0429 -5.0400 -3.7845 -3.7780 -0.4897 -0.4847 0.1881 0.2353 0.3140 0.3445 1.5424 1.6197 1.9052 2.0068 2.3912 2.4557 2.9058 2.9437 3.3893 3.4611 3.6032 3.7361 3.8911 3.9448 4.2324 4.2759 4.6621 4.6849 5.7729 5.8070 7.0405 7.1137 7.7034 7.7764 8.4407 8.4423 k = 0.2154-0.4775 0.0000 ( 20713 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.6183 -9.6178 -8.2290 -8.2272 -7.6040 -7.6014 -7.2796 -7.2770 -5.0573 -5.0542 -3.7704 -3.7637 -0.5012 -0.4934 0.1862 0.2420 0.2938 0.3283 1.5215 1.6060 1.8863 1.9975 2.4325 2.4950 2.8653 2.9111 3.4082 3.4694 3.5824 3.7499 3.8970 3.9422 4.2027 4.2417 4.6291 4.6587 5.8499 5.8791 7.0387 7.1076 7.7747 7.8463 8.4614 8.4624 k = 0.2067-0.4584 0.0000 ( 20721 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.6330 -9.6324 -8.2099 -8.2080 -7.6040 -7.6013 -7.2711 -7.2685 -5.0702 -5.0668 -3.7540 -3.7472 -0.5158 -0.5056 0.1813 0.2381 0.2883 0.3194 1.4965 1.5867 1.8646 1.9859 2.4696 2.5257 2.8320 2.8874 3.4038 3.4643 3.5659 3.7571 3.9143 3.9548 4.1697 4.2034 4.5924 4.6281 5.9365 5.9603 7.0412 7.1046 7.8614 7.9309 8.4818 8.4825 k = 0.1981-0.4393 0.0000 ( 20729 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.6489 -9.6483 -8.1885 -8.1865 -7.6044 -7.6017 -7.2631 -7.2605 -5.0816 -5.0779 -3.7356 -3.7286 -0.5328 -0.5206 0.1724 0.2221 0.2976 0.3180 1.4678 1.5608 1.8438 1.9734 2.4952 2.5441 2.8105 2.8777 3.3736 3.4342 3.5722 3.7614 3.9378 3.9780 4.1350 4.1615 4.5541 4.5956 6.0313 6.0498 7.0472 7.1047 7.9601 8.0271 8.5022 8.5029 k = 0.1895-0.4202 0.0000 ( 20723 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.6659 -9.6652 -8.1651 -8.1629 -7.6052 -7.6025 -7.2557 -7.2530 -5.0912 -5.0874 -3.7152 -3.7081 -0.5516 -0.5374 0.1605 0.2032 0.3114 0.3220 1.4359 1.5280 1.8260 1.9607 2.5017 2.5499 2.8055 2.8850 3.3247 3.3854 3.5928 3.7654 3.9607 4.0063 4.1024 4.1175 4.5170 4.5641 6.1325 6.1462 7.0563 7.1077 8.0670 8.1315 8.5230 8.5246 k = 0.1809-0.4011 0.0000 ( 20725 PWs) bands (ev): -40.5208 -40.5208 -40.5205 -40.5205 -9.6837 -9.6830 -8.1400 -8.1377 -7.6064 -7.6036 -7.2488 -7.2462 -5.0993 -5.0953 -3.6932 -3.6860 -0.5713 -0.5556 0.1470 0.1848 0.3236 0.3291 1.4018 1.4893 1.8125 1.9485 2.4886 2.5440 2.8185 2.9069 3.2639 3.3262 3.6160 3.7687 3.9707 4.0319 4.0717 4.0865 4.4841 4.5369 6.2377 6.2481 7.0682 7.1137 8.1775 8.2395 8.5453 8.5496 k = 0.1723-0.3820 0.0000 ( 20721 PWs) bands (ev): -40.5208 -40.5208 -40.5205 -40.5205 -9.7020 -9.7013 -8.1136 -8.1112 -7.6078 -7.6051 -7.2424 -7.2398 -5.1056 -5.1015 -3.6696 -3.6624 -0.5915 -0.5744 0.1335 0.1681 0.3304 0.3375 1.3668 1.4469 1.8030 1.9372 2.4635 2.5278 2.8457 2.9382 3.1956 3.2594 3.6370 3.7705 3.9539 4.0104 4.0725 4.0959 4.4581 4.5166 6.3440 6.3540 7.0827 7.1227 8.2854 8.3449 8.5717 8.5823 k = 0.1637-0.3629 0.0000 ( 20727 PWs) bands (ev): -40.5208 -40.5208 -40.5205 -40.5205 -9.7206 -9.7199 -8.0862 -8.0838 -7.6096 -7.6069 -7.2366 -7.2341 -5.1103 -5.1061 -3.6448 -3.6376 -0.6115 -0.5932 0.1209 0.1534 0.3319 0.3422 1.3330 1.4040 1.7968 1.9271 2.4328 2.5052 2.8811 2.9741 3.1218 3.1867 3.6531 3.7700 3.9178 3.9617 4.0974 4.1252 4.4413 4.5047 6.4491 6.4616 7.0998 7.1348 8.3805 8.4370 8.6089 8.6315 k = 0.1551-0.3438 0.0000 ( 20729 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.7394 -9.7387 -8.0581 -8.0556 -7.6116 -7.6090 -7.2314 -7.2289 -5.1134 -5.1091 -3.6189 -3.6118 -0.6310 -0.6116 0.1098 0.1410 0.3271 0.3400 1.3022 1.3638 1.7931 1.9180 2.4004 2.4798 2.9198 3.0095 3.0446 3.1104 3.6624 3.7673 3.8754 3.9112 4.1249 4.1594 4.4347 4.5016 6.5515 6.5676 7.1196 7.1502 8.4500 8.5027 8.6692 8.7055 k = 0.1464-0.3247 0.0000 ( 20743 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.7581 -9.7574 -8.0296 -8.0271 -7.6139 -7.6113 -7.2266 -7.2242 -5.1150 -5.1106 -3.5922 -3.5852 -0.6496 -0.6292 0.1006 0.1311 0.3144 0.3291 1.2764 1.3290 1.7909 1.9100 2.3683 2.4537 2.9569 2.9621 3.0173 3.0622 3.6622 3.7620 3.8327 3.8631 4.1532 4.1945 4.4379 4.5066 6.6492 6.6691 7.1422 7.1690 8.4928 8.5416 8.7551 8.7990 k = 0.1378-0.3056 0.0000 ( 20749 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.7765 -9.7758 -8.0010 -7.9985 -7.6163 -7.6138 -7.2224 -7.2200 -5.1152 -5.1108 -3.5650 -3.5581 -0.6669 -0.6456 0.0934 0.1236 0.2929 0.3083 1.2572 1.3019 1.7896 1.9025 2.3374 2.4282 2.8771 2.9351 3.0015 3.0919 3.6492 3.7511 3.7944 3.8238 4.1818 4.2293 4.4499 4.5183 6.7401 6.7632 7.1679 7.1916 8.5194 8.5656 8.8524 8.8987 k = 0.1292-0.2865 0.0000 ( 20731 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.7944 -9.7937 -7.9727 -7.9702 -7.6189 -7.6164 -7.2187 -7.2164 -5.1139 -5.1096 -3.5375 -3.5307 -0.6826 -0.6605 0.0879 0.1186 0.2625 0.2773 1.2451 1.2838 1.7882 1.8950 2.3084 2.4038 2.7922 2.8525 3.0363 3.1253 3.6216 3.7214 3.7721 3.8003 4.2108 4.2634 4.4688 4.5352 6.8221 6.8473 7.1968 7.2182 8.5378 8.5825 8.9498 8.9961 k = 0.1206-0.2674 0.0000 ( 20743 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.8118 -9.8111 -7.9448 -7.9423 -7.6216 -7.6192 -7.2154 -7.2132 -5.1115 -5.1072 -3.5100 -3.5034 -0.6964 -0.6736 0.0834 0.1159 0.2249 0.2371 1.2401 1.2749 1.7861 1.8867 2.2816 2.3807 2.7082 2.7692 3.0686 3.1562 3.5830 3.6765 3.7647 3.7903 4.2403 4.2965 4.4925 4.5558 6.8935 6.9196 7.2287 7.2488 8.5518 8.5953 9.0416 9.0865 k = 0.1120-0.2483 0.0000 ( 20737 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.8285 -9.8278 -7.9176 -7.9152 -7.6243 -7.6220 -7.2126 -7.2105 -5.1081 -5.1038 -3.4828 -3.4765 -0.7080 -0.6845 0.0770 0.1148 0.1823 0.1915 1.2413 1.2744 1.7823 1.8768 2.2570 2.3585 2.6274 2.6888 3.0964 3.1830 3.5391 3.6295 3.7623 3.7882 4.2700 4.3283 4.5194 4.5788 6.9534 6.9791 7.2627 7.2826 8.5630 8.6051 9.1251 9.1674 k = 0.1034-0.2292 0.0000 ( 20741 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.8443 -9.8437 -7.8915 -7.8892 -7.6270 -7.6248 -7.2102 -7.2082 -5.1037 -5.0996 -3.4561 -3.4501 -0.7173 -0.6931 0.0597 0.1116 0.1341 0.1572 1.2477 1.2808 1.7759 1.8642 2.2347 2.3362 2.5529 2.6134 3.1183 3.2043 3.4948 3.5848 3.7629 3.7904 4.2998 4.3587 4.5479 4.6031 7.0024 7.0265 7.2974 7.3180 8.5724 8.6126 9.1991 9.2378 k = 0.0948-0.2101 0.0000 ( 20729 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.8592 -9.8586 -7.8665 -7.8643 -7.6296 -7.6275 -7.2081 -7.2062 -5.0986 -5.0947 -3.4303 -3.4246 -0.7239 -0.6992 0.0209 0.0673 0.1216 0.1460 1.2578 1.2923 1.7660 1.8476 2.2146 2.3117 2.4886 2.5455 3.1329 3.2178 3.4547 3.5447 3.7660 3.7952 4.3293 4.3873 4.5771 4.6277 7.0415 7.0636 7.3309 7.3522 8.5805 8.6180 9.2634 9.2978 k = 0.0861-0.1910 0.0000 ( 20723 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.8731 -9.8725 -7.8430 -7.8409 -7.6321 -7.6302 -7.2064 -7.2047 -5.0930 -5.0893 -3.4056 -3.4002 -0.7278 -0.7025 -0.0329 0.0055 0.1271 0.1487 1.2703 1.3071 1.7516 1.8261 2.1965 2.2828 2.4388 2.4872 3.1389 3.2202 3.4234 3.5111 3.7711 3.8018 4.3580 4.4141 4.6060 4.6521 7.0725 7.0925 7.3615 7.3830 8.5874 8.6216 9.3189 9.3485 k = 0.0775-0.1719 0.0000 ( 20723 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.8858 -9.8854 -7.8212 -7.8192 -7.6344 -7.6326 -7.2050 -7.2034 -5.0871 -5.0836 -3.3822 -3.3773 -0.7285 -0.7028 -0.0928 -0.0583 0.1367 0.1572 1.2840 1.3238 1.7321 1.7993 2.1798 2.2489 2.4053 2.4405 3.1355 3.2084 3.4048 3.4852 3.7780 3.8093 4.3857 4.4387 4.6340 4.6755 7.0970 7.1151 7.3879 7.4089 8.5936 8.6240 9.3667 9.3905 k = 0.0689-0.1528 0.0000 ( 20707 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8974 -9.8970 -7.8012 -7.7994 -7.6365 -7.6349 -7.2039 -7.2024 -5.0810 -5.0778 -3.3606 -3.3561 -0.7261 -0.6999 -0.1545 -0.1223 0.1492 0.1686 1.2977 1.3408 1.7074 1.7678 2.1642 2.2137 2.3847 2.4070 3.1232 3.1839 3.3985 3.4673 3.7863 3.8174 4.4119 4.4610 4.6605 4.6974 7.1164 7.1326 7.4097 7.4295 8.5990 8.6253 9.4070 9.4187 k = 0.0603-0.1337 0.0000 ( 20707 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9078 -9.9074 -7.7832 -7.7816 -7.6383 -7.6369 -7.2030 -7.2017 -5.0751 -5.0722 -3.3407 -3.3367 -0.7202 -0.6935 -0.2159 -0.1851 0.1635 0.1818 1.3103 1.3566 1.6786 1.7332 2.1494 2.1818 2.3711 2.3874 3.1040 3.1519 3.4001 3.4561 3.7956 3.8254 4.4363 4.4807 4.6851 4.7174 7.1315 7.1460 7.4272 7.4449 8.6038 8.6260 9.3890 9.3943 k = 0.0517-0.1146 0.0000 ( 20699 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9169 -9.9165 -7.7674 -7.7660 -7.6398 -7.6385 -7.2023 -7.2012 -5.0694 -5.0668 -3.3230 -3.3195 -0.7107 -0.6836 -0.2759 -0.2459 0.1789 0.1957 1.3211 1.3701 1.6476 1.6979 2.1356 2.1554 2.3619 2.3796 3.0804 3.1175 3.4055 3.4499 3.8053 3.8330 4.4585 4.4977 4.7075 4.7352 7.1432 7.1559 7.4406 7.4560 8.6080 8.6262 9.3433 9.3460 k = 0.0431-0.0955 0.0000 ( 20693 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9246 -9.9243 -7.7539 -7.7527 -7.6410 -7.6399 -7.2017 -7.2008 -5.0642 -5.0620 -3.3076 -3.3047 -0.6973 -0.6700 -0.3333 -0.3040 0.1946 0.2096 1.3296 1.3795 1.6177 1.6645 2.1229 2.1350 2.3581 2.3777 3.0555 3.0839 3.4121 3.4466 3.8151 3.8396 4.4784 4.5118 4.7273 4.7504 7.1520 7.1629 7.4508 7.4635 8.6117 8.6262 9.3023 9.3042 k = 0.0345-0.0764 0.0000 ( 20677 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9310 -9.9308 -7.7428 -7.7418 -7.6418 -7.6409 -7.2013 -7.2006 -5.0596 -5.0579 -3.2947 -3.2923 -0.6800 -0.6525 -0.3878 -0.3588 0.2097 0.2224 1.3357 1.3835 1.5924 1.6350 2.1121 2.1199 2.3591 2.3784 3.0318 3.0533 3.4187 3.4449 3.8244 3.8450 4.4957 4.5229 4.7442 4.7627 7.1586 7.1675 7.4583 7.4684 8.6149 8.6259 9.2681 9.2696 k = 0.0258-0.0573 0.0000 ( 20679 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9360 -9.9358 -7.7341 -7.7334 -7.6424 -7.6417 -7.2010 -7.2004 -5.0559 -5.0545 -3.2845 -3.2826 -0.6587 -0.6309 -0.4386 -0.4099 0.2233 0.2334 1.3401 1.3813 1.5747 1.6106 2.1035 2.1090 2.3632 2.3799 3.0116 3.0273 3.4249 3.4438 3.8328 3.8489 4.5102 4.5309 4.7581 4.7721 7.1634 7.1702 7.4638 7.4712 8.6176 8.6255 9.2412 9.2423 k = 0.0172-0.0382 0.0000 ( 20695 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9395 -9.9394 -7.7280 -7.7275 -7.6426 -7.6421 -7.2008 -7.2004 -5.0530 -5.0521 -3.2769 -3.2757 -0.6331 -0.6054 -0.4853 -0.4570 0.2344 0.2414 1.3440 1.3742 1.5657 1.5916 2.0977 2.1014 2.3686 2.3808 2.9966 3.0069 3.4302 3.4425 3.8399 3.8509 4.5216 4.5356 4.7689 4.7782 7.1668 7.1714 7.4678 7.4726 8.6198 8.6249 9.2219 9.2227 k = 0.0086-0.0191 0.0000 ( 20707 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9417 -9.9416 -7.7242 -7.7240 -7.6427 -7.6424 -7.2006 -7.2004 -5.0512 -5.0507 -3.2723 -3.2717 -0.6036 -0.5768 -0.5267 -0.4996 0.2422 0.2458 1.3489 1.3647 1.5642 1.5778 2.0947 2.0966 2.3739 2.3803 2.9881 2.9932 3.4346 3.4406 3.8454 3.8510 4.5300 4.5370 4.7763 4.7809 7.1692 7.1715 7.4705 7.4729 8.6216 8.6241 9.2103 9.2107 k = 0.0000 0.0000 0.0000 ( 20701 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9424 -9.9424 -7.7229 -7.7229 -7.6426 -7.6426 -7.2005 -7.2005 -5.0504 -5.0504 -3.2705 -3.2705 -0.5719 -0.5719 -0.5358 -0.5358 0.2461 0.2461 1.3558 1.3558 1.5686 1.5686 2.0943 2.0943 2.3780 2.3780 2.9869 2.9869 3.4381 3.4381 3.8492 3.8492 4.5351 4.5351 4.7803 4.7803 7.1708 7.1708 7.4722 7.4722 8.6230 8.6230 9.2066 9.2066 k = 0.0000 0.0000 0.0000 ( 20701 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9424 -9.9424 -7.7229 -7.7229 -7.6426 -7.6426 -7.2005 -7.2005 -5.0504 -5.0504 -3.2705 -3.2705 -0.5719 -0.5719 -0.5358 -0.5358 0.2461 0.2461 1.3558 1.3558 1.5686 1.5686 2.0943 2.0943 2.3780 2.3780 2.9869 2.9869 3.4381 3.4381 3.8492 3.8492 4.5351 4.5351 4.7803 4.7803 7.1708 7.1708 7.4722 7.4722 8.6230 8.6230 9.2066 9.2066 k = 0.0156-0.0138-0.0037 ( 20706 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9417 -9.9417 -7.7241 -7.7239 -7.6427 -7.6425 -7.2008 -7.2006 -5.0507 -5.0503 -3.2720 -3.2714 -0.6008 -0.5743 -0.5302 -0.5034 0.2433 0.2467 1.3495 1.3639 1.5644 1.5767 2.0947 2.0966 2.3747 2.3806 2.9875 2.9922 3.4336 3.4394 3.8456 3.8507 4.5303 4.5367 4.7764 4.7807 7.1703 7.1727 7.4718 7.4740 8.6217 8.6243 9.2100 9.2104 k = 0.0312-0.0276-0.0073 ( 20702 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9397 -9.9396 -7.7274 -7.7270 -7.6428 -7.6423 -7.2016 -7.2012 -5.0514 -5.0505 -3.2759 -3.2748 -0.6283 -0.6006 -0.4939 -0.4657 0.2385 0.2452 1.3449 1.3728 1.5650 1.5888 2.0979 2.1017 2.3712 2.3824 2.9938 3.0033 3.4259 3.4377 3.8399 3.8502 4.5221 4.5350 4.7691 4.7776 7.1713 7.1761 7.4730 7.4774 8.6203 8.6256 9.2205 9.2213 k = 0.0469-0.0414-0.0110 ( 20693 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9364 -9.9363 -7.7329 -7.7323 -7.6427 -7.6421 -7.2028 -7.2023 -5.0522 -5.0510 -3.2823 -3.2806 -0.6528 -0.6251 -0.4530 -0.4245 0.2322 0.2419 1.3414 1.3804 1.5714 1.6050 2.1040 2.1095 2.3682 2.3838 3.0052 3.0197 3.4152 3.4335 3.8323 3.8478 4.5107 4.5300 4.7585 4.7711 7.1735 7.1807 7.4754 7.4820 8.6189 8.6269 9.2377 9.2389 k = 0.0625-0.0552-0.0146 ( 20695 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9318 -9.9316 -7.7405 -7.7397 -7.6426 -7.6417 -7.2044 -7.2037 -5.0533 -5.0517 -3.2910 -3.2887 -0.6741 -0.6466 -0.4088 -0.3801 0.2248 0.2373 1.3379 1.3845 1.5847 1.6256 2.1130 2.1205 2.3667 2.3851 3.0206 3.0406 3.4016 3.4273 3.8228 3.8434 4.4962 4.5218 4.7448 4.7614 7.1766 7.1862 7.4791 7.4877 8.6173 8.6285 9.2607 9.2624 k = 0.0781-0.0690-0.0183 ( 20698 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9259 -9.9257 -7.7504 -7.7493 -7.6423 -7.6412 -7.2065 -7.2056 -5.0545 -5.0525 -3.3020 -3.2992 -0.6921 -0.6649 -0.3617 -0.3328 0.2171 0.2321 1.3333 1.3837 1.6050 1.6506 2.1246 2.1353 2.3678 2.3872 3.0382 3.0648 3.3858 3.4201 3.8117 3.8374 4.4787 4.5106 4.7282 4.7489 7.1801 7.1922 7.4835 7.4941 8.6156 8.6302 9.2878 9.2902 k = 0.0938-0.0828-0.0220 ( 20699 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9187 -9.9184 -7.7623 -7.7610 -7.6417 -7.6405 -7.2090 -7.2080 -5.0557 -5.0534 -3.3152 -3.3120 -0.7071 -0.6802 -0.3119 -0.2828 0.2098 0.2269 1.3269 1.3781 1.6305 1.6793 2.1384 2.1546 2.3726 2.3911 3.0561 3.0909 3.3688 3.4133 3.7992 3.8299 4.4585 4.4964 4.7091 4.7338 7.1831 7.1977 7.4887 7.5009 8.6137 8.6321 9.3146 9.3180 k = 0.1094-0.0966-0.0256 ( 20705 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9103 -9.9100 -7.7763 -7.7749 -7.6410 -7.6397 -7.2119 -7.2107 -5.0569 -5.0542 -3.3306 -3.3269 -0.7190 -0.6925 -0.2599 -0.2304 0.2036 0.2226 1.3184 1.3683 1.6587 1.7106 2.1541 2.1790 2.3820 2.3987 3.0716 3.1164 3.3528 3.4088 3.7856 3.8212 4.4356 4.4793 4.6878 4.7164 7.1846 7.2020 7.4944 7.5080 8.6117 8.6341 9.3290 9.3349 k = 0.1250-0.1104-0.0293 ( 20714 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9007 -9.9003 -7.7923 -7.7907 -7.6401 -7.6386 -7.2151 -7.2138 -5.0580 -5.0550 -3.3481 -3.3440 -0.7280 -0.7019 -0.2060 -0.1761 0.1991 0.2196 1.3080 1.3557 1.6871 1.7428 2.1713 2.2087 2.3954 2.4130 3.0817 3.1370 3.3414 3.4089 3.7716 3.8117 4.4104 4.4595 4.6647 4.6972 7.1832 7.2036 7.5008 7.5154 8.6096 8.6364 9.3151 9.3264 k = 0.1406-0.1242-0.0329 ( 20715 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8899 -9.8895 -7.8102 -7.8084 -7.6390 -7.6373 -7.2188 -7.2173 -5.0589 -5.0556 -3.3675 -3.3630 -0.7342 -0.7085 -0.1509 -0.1203 0.1968 0.2187 1.2959 1.3410 1.7138 1.7740 2.1896 2.2426 2.4123 2.4376 3.0838 3.1468 3.3404 3.4154 3.7579 3.8018 4.3830 4.4369 4.6401 4.6766 7.1774 7.2008 7.5082 7.5235 8.6073 8.6386 9.2797 9.2958 k = 0.1562-0.1380-0.0366 ( 20721 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.8780 -9.8776 -7.8299 -7.8280 -7.6377 -7.6358 -7.2227 -7.2211 -5.0594 -5.0559 -3.3887 -3.3838 -0.7378 -0.7126 -0.0951 -0.0636 0.1971 0.2202 1.2826 1.3253 1.7374 1.8027 2.2089 2.2787 2.4356 2.4728 3.0768 3.1414 3.3536 3.4290 3.7454 3.7923 4.3538 4.4116 4.6144 4.6551 7.1652 7.1916 7.5172 7.5332 8.6047 8.6405 9.2342 9.2540 k = 0.1719-0.1518-0.0402 ( 20725 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.8651 -9.8646 -7.8512 -7.8492 -7.6362 -7.6342 -7.2270 -7.2253 -5.0595 -5.0558 -3.4115 -3.4063 -0.7388 -0.7141 -0.0394 -0.0067 0.2005 0.2246 1.2688 1.3095 1.7573 1.8278 2.2292 2.3135 2.4686 2.5174 3.0613 3.1226 3.3792 3.4483 3.7356 3.7838 4.3228 4.3838 4.5879 4.6330 7.1449 7.1738 7.5285 7.5455 8.6017 8.6420 9.1829 9.2060 k = 0.1875-0.1656-0.0439 ( 20724 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.8512 -9.8506 -7.8740 -7.8719 -7.6345 -7.6324 -7.2316 -7.2297 -5.0592 -5.0552 -3.4357 -3.4304 -0.7374 -0.7134 0.0153 0.0496 0.2072 0.2321 1.2552 1.2944 1.7734 1.8487 2.2506 2.3444 2.5132 2.5700 3.0392 3.0951 3.4118 3.4708 3.7303 3.7777 4.2903 4.3535 4.5610 4.6109 7.1149 7.1458 7.5430 7.5612 8.5983 8.6425 9.1274 9.1533 k = 0.2031-0.1794-0.0476 ( 20726 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.8363 -9.8357 -7.8981 -7.8959 -7.6326 -7.6305 -7.2363 -7.2344 -5.0582 -5.0541 -3.4613 -3.4557 -0.7339 -0.7104 0.0678 0.1041 0.2177 0.2432 1.2426 1.2809 1.7858 1.8655 2.2731 2.3712 2.5676 2.6281 3.0133 3.0631 3.4465 3.4936 3.7318 3.7755 4.2565 4.3208 4.5341 4.5892 7.0745 7.1061 7.5609 7.5809 8.5939 8.6417 9.0683 9.0967 k = 0.2188-0.1932-0.0512 ( 20720 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.8207 -9.8200 -7.9234 -7.9212 -7.6307 -7.6284 -7.2413 -7.2393 -5.0567 -5.0525 -3.4879 -3.4822 -0.7282 -0.7053 0.1167 0.1551 0.2329 0.2583 1.2317 1.2699 1.7951 1.8784 2.2966 2.3950 2.6277 2.6885 2.9870 3.0296 3.4787 3.5159 3.7417 3.7793 4.2215 4.2858 4.5076 4.5683 7.0231 7.0546 7.5825 7.6047 8.5880 8.6388 9.0060 9.0365 k = 0.2344-0.2070-0.0549 ( 20718 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.8043 -9.8036 -7.9496 -7.9473 -7.6285 -7.6263 -7.2465 -7.2444 -5.0546 -5.0503 -3.5153 -3.5095 -0.7206 -0.6984 0.1601 0.1995 0.2549 0.2781 1.2233 1.2623 1.8015 1.8877 2.3211 2.4169 2.6878 2.7459 2.9658 2.9981 3.5033 3.5405 3.7596 3.7916 4.1854 4.2488 4.4818 4.5486 6.9613 6.9915 7.6076 7.6323 8.5798 8.6330 8.9415 8.9734 k = 0.2500-0.2208-0.0585 ( 20722 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.7873 -9.7866 -7.9766 -7.9743 -7.6263 -7.6240 -7.2517 -7.2496 -5.0518 -5.0474 -3.5433 -3.5375 -0.7113 -0.6897 0.1964 0.2336 0.2860 0.3034 1.2183 1.2589 1.8054 1.8936 2.3460 2.4373 2.7389 2.7915 2.9572 2.9763 3.5197 3.5687 3.7831 3.8146 4.1487 4.2103 4.4573 4.5306 6.8896 6.9177 7.6359 7.6635 8.5676 8.6222 8.8766 8.9090 k = 0.2656-0.2346-0.0622 ( 20724 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.7698 -9.7691 -8.0041 -8.0018 -7.6240 -7.6217 -7.2571 -7.2549 -5.0483 -5.0440 -3.5717 -3.5659 -0.7004 -0.6795 0.2251 0.2586 0.3229 0.3346 1.2171 1.2602 1.8073 1.8964 2.3708 2.4553 2.7661 2.8182 2.9559 2.9897 3.5341 3.5985 3.8102 3.8469 4.1118 4.1707 4.4345 4.5146 6.8091 6.8345 7.6666 7.6978 8.5482 8.6033 8.8149 8.8461 k = 0.2812-0.2484-0.0659 ( 20730 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.7519 -9.7512 -8.0318 -8.0296 -7.6216 -7.6193 -7.2624 -7.2603 -5.0442 -5.0399 -3.6002 -3.5944 -0.6880 -0.6679 0.2474 0.2781 0.3600 0.3708 1.2202 1.2663 1.8075 1.8961 2.3940 2.4696 2.7667 2.8240 2.9742 3.0305 3.5516 3.6294 3.8398 3.8843 4.0762 4.1314 4.4142 4.5011 6.7211 6.7434 7.6993 7.7348 8.5167 8.5708 8.7618 8.7905 k = 0.2969-0.2622-0.0695 ( 20732 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.7339 -9.7331 -8.0596 -8.0574 -7.6192 -7.6169 -7.2677 -7.2656 -5.0396 -5.0353 -3.6284 -3.6228 -0.6744 -0.6551 0.2644 0.2931 0.3968 0.4093 1.2274 1.2767 1.8064 1.8932 2.4138 2.4777 2.7579 2.8156 3.0110 3.0774 3.5754 3.6625 3.8680 3.9215 4.0454 4.0947 4.3974 4.4907 6.6270 6.6462 7.7329 7.7738 8.4678 8.5214 8.7211 8.7491 k = 0.3125-0.2760-0.0732 ( 20726 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.7158 -9.7150 -8.0872 -8.0850 -7.6168 -7.6145 -7.2730 -7.2708 -5.0344 -5.0303 -3.6563 -3.6508 -0.6598 -0.6413 0.2765 0.3034 0.4344 0.4486 1.2381 1.2903 1.8046 1.8878 2.4270 2.4776 2.7522 2.8071 3.0521 3.1219 3.6064 3.6976 3.8861 3.9471 4.0308 4.0669 4.3855 4.4842 6.5282 6.5446 7.7660 7.8141 8.4011 8.4579 8.6917 8.7236 k = 0.3281-0.2898-0.0768 ( 20713 PWs) bands (ev): -40.5208 -40.5208 -40.5205 -40.5205 -9.6978 -9.6971 -8.1142 -8.1121 -7.6143 -7.6121 -7.2780 -7.2760 -5.0289 -5.0248 -3.6833 -3.6780 -0.6444 -0.6268 0.2836 0.3087 0.4734 0.4889 1.2510 1.3054 1.8033 1.8808 2.4293 2.4696 2.7549 2.8070 3.0914 3.1612 3.6434 3.7323 3.8832 3.9444 4.0470 4.0602 4.3805 4.4826 6.4262 6.4405 7.7965 7.8539 8.3228 8.3869 8.6712 8.7085 k = 0.3438-0.3036-0.0805 ( 20711 PWs) bands (ev): -40.5208 -40.5208 -40.5205 -40.5205 -9.6803 -9.6796 -8.1404 -8.1384 -7.6119 -7.6098 -7.2829 -7.2809 -5.0230 -5.0191 -3.7094 -3.7043 -0.6284 -0.6118 0.2860 0.3091 0.5140 0.5306 1.2643 1.3196 1.8036 1.8733 2.4173 2.4560 2.7677 2.8181 3.1276 3.1957 3.6820 3.7606 3.8620 3.9258 4.0702 4.0857 4.3847 4.4871 6.3226 6.3359 7.8206 7.8902 8.2414 8.3168 8.6565 8.6989 k = 0.3594-0.3173-0.0841 ( 20715 PWs) bands (ev): -40.5208 -40.5208 -40.5205 -40.5205 -9.6633 -9.6626 -8.1654 -8.1636 -7.6096 -7.6076 -7.2875 -7.2857 -5.0169 -5.0133 -3.7341 -3.7293 -0.6122 -0.5966 0.2840 0.3052 0.5566 0.5741 1.2759 1.3302 1.8070 1.8668 2.3929 2.4370 2.7902 2.8396 3.1609 3.2266 3.7132 3.7739 3.8353 3.9137 4.0949 4.1227 4.4002 4.4987 6.2189 6.2325 7.8320 7.9146 8.1693 8.2575 8.6452 8.6920 k = 0.3750-0.3311-0.0878 ( 20711 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.6471 -9.6464 -8.1890 -8.1873 -7.6074 -7.6055 -7.2919 -7.2901 -5.0108 -5.0075 -3.7571 -3.7528 -0.5960 -0.5815 0.2786 0.2978 0.6009 0.6192 1.2834 1.3347 1.8149 1.8635 2.3608 2.4119 2.8213 2.8691 3.1918 3.2549 3.7181 3.7704 3.8196 3.9171 4.1219 4.1591 4.4276 4.5179 6.1174 6.1322 7.8225 7.9076 8.1285 8.2196 8.6354 8.6861 k = 0.3906-0.3449-0.0915 ( 20711 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.6320 -9.6314 -8.2108 -8.2093 -7.6053 -7.6036 -7.2958 -7.2942 -5.0049 -5.0018 -3.7783 -3.7744 -0.5801 -0.5669 0.2708 0.2879 0.6467 0.6657 1.2846 1.3316 1.8279 1.8659 2.3245 2.3815 2.8589 2.9041 3.2204 3.2808 3.6957 3.7433 3.8324 3.9261 4.1505 4.1933 4.4649 4.5442 6.0201 6.0365 7.7888 7.8582 8.1321 8.2090 8.6263 8.6803 k = 0.4062-0.3587-0.0951 ( 20703 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.6182 -9.6176 -8.2306 -8.2292 -7.6034 -7.6018 -7.2993 -7.2979 -4.9992 -4.9965 -3.7973 -3.7938 -0.5649 -0.5532 0.2616 0.2766 0.6936 0.7131 1.2782 1.3201 1.8451 1.8763 2.2857 2.3469 2.9009 2.9430 3.2461 3.3033 3.6646 3.7081 3.8509 3.9307 4.1812 4.2253 4.5083 4.5753 5.9296 5.9473 7.7372 7.7874 8.1609 8.2211 8.6171 8.6735 k = 0.4219-0.3725-0.0988 ( 20706 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.6059 -9.6054 -8.2479 -8.2467 -7.6017 -7.6003 -7.3024 -7.3012 -4.9940 -4.9917 -3.8138 -3.8108 -0.5509 -0.5408 0.2521 0.2648 0.7408 0.7606 1.2641 1.3010 1.8653 1.8963 2.2459 2.3094 2.9458 2.9844 3.2669 3.3201 3.6343 3.6748 3.8638 3.9288 4.2136 4.2552 4.5534 4.6083 5.8482 5.8664 7.6784 7.7139 8.1981 8.2468 8.6076 8.6650 k = 0.4375-0.3863-0.1024 ( 20710 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.5955 -9.5951 -8.2625 -8.2616 -7.6002 -7.5991 -7.3049 -7.3039 -4.9895 -4.9875 -3.8276 -3.8252 -0.5385 -0.5301 0.2431 0.2535 0.7873 0.8069 1.2435 1.2757 1.8884 1.9239 2.2059 2.2701 2.9918 3.0268 3.2800 3.3279 3.6100 3.6475 3.8699 3.9215 4.2459 4.2823 4.5961 4.6395 5.7784 5.7959 7.6211 7.6459 8.2369 8.2781 8.5981 8.6540 k = 0.4531-0.4001-0.1061 ( 20706 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.5871 -9.5868 -8.2742 -8.2734 -7.5990 -7.5981 -7.3069 -7.3062 -4.9857 -4.9842 -3.8386 -3.8367 -0.5279 -0.5215 0.2355 0.2434 0.8317 0.8501 1.2192 1.2465 1.9151 1.9556 2.1673 2.2298 3.0375 3.0687 3.2830 3.3241 3.5952 3.6283 3.8712 3.9107 4.2760 4.3052 4.6332 4.6656 5.7225 5.7378 7.5714 7.5884 8.2740 8.3090 8.5895 8.6401 k = 0.4688-0.4139-0.1098 ( 20706 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.5810 -9.5808 -8.2826 -8.2821 -7.5980 -7.5975 -7.3083 -7.3078 -4.9828 -4.9818 -3.8464 -3.8452 -0.5198 -0.5154 0.2299 0.2353 0.8713 0.8867 1.1955 1.2167 1.9447 1.9867 2.1331 2.1897 3.0806 3.1070 3.2762 3.3090 3.5908 3.6163 3.8710 3.8986 4.3014 4.3220 4.6624 4.6841 5.6824 5.6938 7.5337 7.5442 8.3067 8.3340 8.5839 8.6237 k = 0.4844-0.4277-0.1134 ( 20712 PWs) bands (ev): -40.5207 -40.5207 -40.5206 -40.5206 -9.5772 -9.5771 -8.2877 -8.2875 -7.5974 -7.5971 -7.3091 -7.3089 -4.9809 -4.9804 -3.8510 -3.8504 -0.5143 -0.5120 0.2269 0.2296 0.9019 0.9112 1.1791 1.1912 1.9752 2.0071 2.1125 2.1516 3.1173 3.1348 3.2667 3.2873 3.5940 3.6081 3.8725 3.8869 4.3201 4.3307 4.6825 4.6934 5.6593 5.6654 7.5108 7.5159 8.3322 8.3477 8.5842 8.6067 k = 0.5000-0.4415-0.1171 ( 20718 PWs) bands (ev): -40.5207 -40.5207 -40.5206 -40.5206 -9.5759 -9.5759 -8.2893 -8.2893 -7.5971 -7.5971 -7.3093 -7.3093 -4.9801 -4.9801 -3.8524 -3.8524 -0.5116 -0.5116 0.2268 0.2268 0.9169 0.9169 1.1769 1.1769 2.0009 2.0009 2.1211 2.1211 3.1392 3.1392 3.2691 3.2691 3.6007 3.6007 3.8778 3.8778 4.3301 4.3301 4.6929 4.6929 5.6537 5.6537 7.5046 7.5046 8.3470 8.3470 8.5923 8.5923 k = 0.5000-0.4415 0.5427 ( 20714 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9077 -8.9077 -8.8211 -8.8211 -7.5997 -7.5997 -7.5232 -7.5232 -5.1928 -5.1928 -4.5853 -4.5853 0.2924 0.2924 0.8547 0.8547 1.5443 1.5443 1.8722 1.8722 2.2431 2.2431 2.4508 2.4508 2.6441 2.6441 3.6950 3.6950 4.0330 4.0330 4.3098 4.3098 4.6051 4.6051 4.8670 4.8670 6.0021 6.0021 6.1240 6.1240 6.4674 6.4674 6.7308 6.7308 k = 0.4878-0.4308 0.5295 ( 20718 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9195 -8.9181 -8.8115 -8.8100 -7.6007 -7.5995 -7.5221 -7.5209 -5.1932 -5.1928 -4.5836 -4.5829 0.2891 0.2919 0.8520 0.8565 1.5431 1.5478 1.8633 1.8749 2.2281 2.2464 2.4366 2.4635 2.6376 2.6523 3.6911 3.6954 4.0228 4.0379 4.3019 4.3165 4.6005 4.6095 4.8623 4.8680 5.9704 6.0037 6.1265 6.1549 6.4715 6.4791 6.7330 6.7432 k = 0.4756-0.4200 0.5162 ( 20723 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9447 -8.9427 -8.7892 -8.7870 -7.6023 -7.6000 -7.5178 -7.5155 -5.1939 -5.1932 -4.5776 -4.5762 0.2822 0.2876 0.8484 0.8576 1.5439 1.5529 1.8485 1.8719 2.2035 2.2366 2.4236 2.4721 2.6342 2.6617 3.6840 3.6921 4.0078 4.0367 4.2930 4.3212 4.5956 4.6135 4.8536 4.8652 5.9326 5.9785 6.1597 6.1975 6.4901 6.5034 6.7508 6.7696 k = 0.4634-0.4092 0.5030 ( 20721 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -8.9751 -8.9729 -8.7628 -8.7604 -7.6041 -7.6009 -7.5106 -7.5076 -5.1950 -5.1939 -4.5675 -4.5654 0.2718 0.2797 0.8441 0.8579 1.5451 1.5576 1.8292 1.8646 2.1708 2.2138 2.4129 2.4747 2.6356 2.6720 3.6737 3.6850 3.9878 4.0284 4.2831 4.3231 4.5907 4.6174 4.8405 4.8580 5.9012 5.9518 6.2025 6.2439 6.5186 6.5342 6.7857 6.8096 k = 0.4512-0.3985 0.4898 ( 20718 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0078 -9.0056 -8.7352 -8.7326 -7.6057 -7.6019 -7.5010 -7.4974 -5.1963 -5.1949 -4.5533 -4.5506 0.2581 0.2685 0.8390 0.8574 1.5435 1.5583 1.8087 1.8553 2.1315 2.1807 2.4039 2.4707 2.6426 2.6837 3.6602 3.6742 3.9627 4.0123 4.2719 4.3212 4.5860 4.6208 4.8223 4.8453 5.8825 5.9349 6.2486 6.2928 6.5523 6.5661 6.8369 6.8605 k = 0.4390-0.3877 0.4765 ( 20725 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0420 -9.0398 -8.7073 -8.7047 -7.6068 -7.6027 -7.4895 -7.4856 -5.1977 -5.1960 -4.5352 -4.5319 0.2416 0.2541 0.8329 0.8561 1.5341 1.5497 1.7928 1.8477 2.0868 2.1408 2.3951 2.4608 2.6553 2.6971 3.6432 3.6599 3.9324 3.9882 4.2591 4.3149 4.5811 4.6228 4.7988 4.8265 5.8804 5.9327 6.2976 6.3437 6.5880 6.5978 6.8993 6.9177 k = 0.4268-0.3769 0.4633 ( 20726 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.0773 -9.0750 -8.6795 -8.6768 -7.6074 -7.6030 -7.4765 -7.4723 -5.1990 -5.1971 -4.5135 -4.5096 0.2226 0.2370 0.8256 0.8538 1.5099 1.5287 1.7876 1.8455 2.0376 2.0974 2.3854 2.4466 2.6728 2.7127 3.6223 3.6422 3.8974 3.9568 4.2445 4.3043 4.5749 4.6211 4.7709 4.8020 5.8969 5.9478 6.3491 6.3957 6.6223 6.6338 6.9649 6.9771 k = 0.4146-0.3661 0.4501 ( 20721 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.1132 -9.1110 -8.6518 -8.6490 -7.6072 -7.6027 -7.4623 -7.4580 -5.2002 -5.1981 -4.4882 -4.4838 0.2015 0.2176 0.8164 0.8501 1.4670 1.4956 1.7946 1.8509 1.9854 2.0527 2.3746 2.4295 2.6940 2.7304 3.5970 3.6215 3.8585 3.9194 4.2278 4.2895 4.5649 4.6115 4.7416 4.7749 5.9317 5.9803 6.4026 6.4474 6.6549 6.6778 7.0261 7.0395 k = 0.4024-0.3554 0.4368 ( 20725 PWs) bands (ev): -40.5206 -40.5206 -40.5206 -40.5206 -9.1497 -9.1475 -8.6241 -8.6213 -7.6065 -7.6018 -7.4473 -7.4429 -5.2012 -5.1989 -4.4596 -4.4547 0.1788 0.1963 0.8046 0.8441 1.4093 1.4515 1.8096 1.8623 1.9324 2.0093 2.3629 2.4108 2.7182 2.7500 3.5674 3.5978 3.8173 3.8775 4.2089 4.2712 4.5467 4.5888 4.7148 4.7521 5.9833 6.0290 6.4562 6.4974 6.6899 6.7288 7.0841 7.1050 k = 0.3902-0.3446 0.4236 ( 20729 PWs) bands (ev): -40.5207 -40.5207 -40.5206 -40.5206 -9.1866 -9.1845 -8.5966 -8.5937 -7.6050 -7.6003 -7.4316 -7.4272 -5.2017 -5.1993 -4.4278 -4.4225 0.1549 0.1737 0.7890 0.8347 1.3431 1.3989 1.8221 1.8637 1.8942 1.9729 2.3510 2.3914 2.7440 2.7713 3.5338 3.5713 3.7752 3.8330 4.1875 4.2499 4.5150 4.5511 4.6943 4.7393 6.0489 6.0915 6.5077 6.5453 6.7293 6.7862 7.1450 7.1735 k = 0.3780-0.3338 0.4103 ( 20729 PWs) bands (ev): -40.5207 -40.5207 -40.5206 -40.5206 -9.2237 -9.2216 -8.5690 -8.5661 -7.6030 -7.5982 -7.4156 -7.4112 -5.2018 -5.1992 -4.3932 -4.3875 0.1304 0.1502 0.7679 0.8198 1.2738 1.3418 1.7992 1.8364 1.9040 1.9571 2.3401 2.3722 2.7701 2.7939 3.4968 3.5422 3.7341 3.7875 4.1630 4.2261 4.4691 4.5012 4.6828 4.7353 6.1255 6.1650 6.5546 6.5916 6.7746 6.8486 7.2125 7.2472 k = 0.3659-0.3231 0.3971 ( 20730 PWs) bands (ev): -40.5207 -40.5207 -40.5206 -40.5206 -9.2609 -9.2589 -8.5414 -8.5384 -7.6003 -7.5956 -7.3995 -7.3950 -5.2013 -5.1986 -4.3559 -4.3499 0.1054 0.1261 0.7395 0.7967 1.2063 1.2842 1.7454 1.8035 1.9259 1.9659 2.3312 2.3545 2.7938 2.8181 3.4577 3.5112 3.6952 3.7425 4.1354 4.2001 4.4131 4.4435 4.6788 4.7363 6.2100 6.2467 6.5965 6.6365 6.8259 6.9139 7.2891 7.3280 k = 0.3537-0.3123 0.3839 ( 20735 PWs) bands (ev): -40.5207 -40.5207 -40.5206 -40.5206 -9.2980 -9.2961 -8.5136 -8.5106 -7.5972 -7.5925 -7.3835 -7.3790 -5.2002 -5.1974 -4.3161 -4.3098 0.0806 0.1019 0.7023 0.7623 1.1448 1.2293 1.6879 1.7590 1.9494 1.9847 2.3243 2.3411 2.8128 2.8434 3.4182 3.4792 3.6593 3.6995 4.1042 4.1721 4.3512 4.3826 4.6796 4.7395 6.2997 6.3338 6.6345 6.6802 6.8823 6.9801 7.3763 7.4171 k = 0.3415-0.3015 0.3706 ( 20745 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.3350 -9.3331 -8.4857 -8.4826 -7.5937 -7.5890 -7.3676 -7.3632 -5.1984 -5.1955 -4.2741 -4.2676 0.0560 0.0779 0.6551 0.7145 1.0920 1.1789 1.6311 1.7111 1.9674 2.0054 2.3167 2.3380 2.8258 2.8679 3.3806 3.4471 3.6254 3.6611 4.0696 4.1425 4.2862 4.3222 4.6829 4.7435 6.3920 6.4238 6.6700 6.7236 6.9423 7.0462 7.4741 7.5151 k = 0.3293-0.2908 0.3574 ( 20745 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.3717 -9.3699 -8.4575 -8.4544 -7.5898 -7.5851 -7.3522 -7.3477 -5.1959 -5.1930 -4.2302 -4.2233 0.0321 0.0545 0.5983 0.6538 1.0472 1.1327 1.5772 1.6638 1.9758 2.0236 2.3107 2.3455 2.8321 2.8889 3.3473 3.4158 3.5908 3.6315 4.0321 4.1113 4.2206 4.2647 4.6874 4.7475 6.4844 6.5144 6.7043 6.7684 7.0045 7.1118 7.5816 7.6215 k = 0.3171-0.2800 0.3442 ( 20754 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.4080 -9.4062 -8.4291 -8.4259 -7.5856 -7.5810 -7.3373 -7.3329 -5.1928 -5.1898 -4.1845 -4.1774 0.0090 0.0318 0.5332 0.5829 1.0073 1.0887 1.5285 1.6200 1.9747 2.0348 2.3109 2.3602 2.8314 2.9038 3.3204 3.3857 3.5545 3.6133 3.9927 4.0788 4.1564 4.2111 4.6922 4.7511 6.5731 6.6034 6.7388 6.8175 7.0676 7.1774 7.6972 7.7355 k = 0.3049-0.2692 0.3309 ( 20745 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.4437 -9.4420 -8.4003 -8.3971 -7.5813 -7.5767 -7.3230 -7.3187 -5.1889 -5.1858 -4.1373 -4.1301 -0.0132 0.0099 0.4622 0.5057 0.9678 1.0439 1.4874 1.5816 1.9655 2.0362 2.3182 2.3791 2.8241 2.9111 3.3003 3.3565 3.5195 3.6056 3.9532 4.0451 4.0962 4.1612 4.6967 4.7541 6.6530 6.6880 6.7766 6.8748 7.1309 7.2431 7.8191 7.8559 k = 0.2927-0.2585 0.3177 ( 20743 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.4788 -9.4772 -8.3712 -8.3679 -7.5769 -7.5723 -7.3095 -7.3052 -5.1844 -5.1812 -4.0889 -4.0815 -0.0343 -0.0111 0.3876 0.4254 0.9253 0.9952 1.4556 1.5501 1.9501 2.0281 2.3304 2.3989 2.8120 2.9111 3.2837 3.3279 3.4904 3.6069 3.9153 4.0101 4.0422 4.1150 4.7007 4.7562 6.7195 6.7583 6.8278 6.9427 7.1941 7.3093 7.9454 7.9811 k = 0.2805-0.2477 0.3044 ( 20737 PWs) bands (ev): -40.5207 -40.5207 -40.5205 -40.5205 -9.5132 -9.5116 -8.3417 -8.3385 -7.5725 -7.5679 -7.2968 -7.2926 -5.1792 -5.1760 -4.0396 -4.0321 -0.0548 -0.0315 0.3119 0.3448 0.8777 0.9407 1.4339 1.5266 1.9303 2.0126 2.3430 2.4158 2.7978 2.9063 3.2639 3.2993 3.4730 3.6151 3.8805 3.9737 3.9971 4.0722 4.7039 4.7573 6.7730 6.8047 6.9011 7.0203 7.2569 7.3763 8.0745 8.1094 k = 0.2683-0.2369 0.2912 ( 20749 PWs) bands (ev): -40.5208 -40.5208 -40.5205 -40.5205 -9.5467 -9.5452 -8.3120 -8.3086 -7.5681 -7.5636 -7.2849 -7.2808 -5.1735 -5.1702 -3.9896 -3.9820 -0.0749 -0.0516 0.2375 0.2663 0.8240 0.8801 1.4218 1.5108 1.9075 1.9920 2.3512 2.4261 2.7848 2.8997 3.2376 3.2685 3.4713 3.6272 3.8497 3.9359 3.9632 4.0336 4.7063 4.7576 6.8171 6.8392 6.9831 7.1035 7.3198 7.4442 8.2047 8.2391 k = 0.2561-0.2261 0.2780 ( 20748 PWs) bands (ev): -40.5208 -40.5208 -40.5205 -40.5205 -9.5793 -9.5778 -8.2819 -8.2785 -7.5640 -7.5594 -7.2740 -7.2700 -5.1672 -5.1639 -3.9392 -3.9316 -0.0959 -0.0727 0.1669 0.1920 0.7645 0.8141 1.4176 1.5023 1.8829 1.9683 2.3516 2.4267 2.7758 2.8932 3.2072 3.2346 3.4833 3.6394 3.8228 3.8983 3.9407 4.0013 4.7079 4.7571 6.8551 6.8698 7.0644 7.1874 7.3834 7.5130 8.3343 8.3685 k = 0.2439-0.2154 0.2647 ( 20741 PWs) bands (ev): -40.5208 -40.5208 -40.5205 -40.5205 -9.6108 -9.6095 -8.2515 -8.2481 -7.5601 -7.5556 -7.2640 -7.2601 -5.1604 -5.1571 -3.8888 -3.8811 -0.1198 -0.0967 0.1034 0.1252 0.7002 0.7439 1.4197 1.4999 1.8574 1.9429 2.3426 2.4160 2.7713 2.8861 3.1771 3.2013 3.5030 3.6481 3.7983 3.8617 3.9285 3.9807 4.7086 4.7558 6.8892 6.8988 7.1417 7.2673 7.4495 7.5827 8.4619 8.4960 k = 0.2317-0.2046 0.2515 ( 20741 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.6413 -9.6400 -8.2209 -8.2174 -7.5566 -7.5521 -7.2549 -7.2511 -5.1533 -5.1500 -3.8386 -3.8310 -0.1500 -0.1264 0.0504 0.0700 0.6323 0.6709 1.4261 1.5021 1.8320 1.9167 2.3244 2.3947 2.7688 2.8747 3.1514 3.1741 3.5248 3.6511 3.7737 3.8265 3.9238 3.9791 4.7087 4.7538 6.9208 6.9265 7.2133 7.3385 7.5204 7.6535 8.5860 8.6198 k = 0.2195-0.1938 0.2383 ( 20734 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.6706 -9.6694 -8.1901 -8.1866 -7.5536 -7.5490 -7.2467 -7.2430 -5.1459 -5.1425 -3.7890 -3.7814 -0.1891 -0.1644 0.0106 0.0300 0.5621 0.5964 1.4354 1.5074 1.8073 1.8906 2.2986 2.3652 2.7632 2.8546 3.1337 3.1582 3.5440 3.6487 3.7475 3.7923 3.9278 3.9971 4.7081 4.7514 6.9504 6.9533 7.2780 7.3982 7.5975 7.7252 8.7052 8.7384 k = 0.2073-0.1831 0.2250 ( 20730 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.6987 -9.6975 -8.1592 -8.1555 -7.5511 -7.5466 -7.2394 -7.2359 -5.1382 -5.1349 -3.7402 -3.7326 -0.2363 -0.2104 -0.0160 0.0046 0.4909 0.5216 1.4459 1.5144 1.7844 1.8649 2.2676 2.3305 2.7501 2.8238 3.1261 3.1554 3.5564 3.6416 3.7226 3.7595 3.9439 4.0286 4.7071 4.7485 6.9782 6.9792 7.3346 7.4456 7.6799 7.7977 8.8181 8.8503 k = 0.1951-0.1723 0.2118 ( 20718 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.7254 -9.7243 -8.1281 -8.1244 -7.5493 -7.5447 -7.2330 -7.2296 -5.1304 -5.1272 -3.6925 -3.6851 -0.2877 -0.2610 -0.0322 -0.0104 0.4201 0.4477 1.4565 1.5215 1.7639 1.8399 2.2335 2.2931 2.7278 2.7843 3.1279 3.1635 3.5575 3.6290 3.7050 3.7309 3.9714 4.0686 4.7058 4.7456 7.0037 7.0050 7.3826 7.4821 7.7654 7.8708 8.9236 8.9541 k = 0.1829-0.1615 0.1986 ( 20713 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.7508 -9.7498 -8.0971 -8.0933 -7.5482 -7.5437 -7.2273 -7.2241 -5.1226 -5.1194 -3.6463 -3.6391 -0.3397 -0.3125 -0.0419 -0.0194 0.3512 0.3760 1.4658 1.5271 1.7469 1.8160 2.1983 2.2551 2.6974 2.7394 3.1365 3.1783 3.5443 3.6101 3.6962 3.7130 4.0080 4.1138 4.7043 4.7426 7.0274 7.0301 7.4217 7.5089 7.8516 7.9440 9.0207 9.0488 k = 0.1707-0.1508 0.1853 ( 20718 PWs) bands (ev): -40.5208 -40.5208 -40.5204 -40.5204 -9.7748 -9.7739 -8.0661 -8.0623 -7.5480 -7.5435 -7.2225 -7.2194 -5.1149 -5.1117 -3.6018 -3.5948 -0.3897 -0.3624 -0.0489 -0.0259 0.2864 0.3085 1.4726 1.5298 1.7339 1.7928 2.1640 2.2184 2.6615 2.6922 3.1477 3.1959 3.5194 3.5855 3.6894 3.7129 4.0512 4.1618 4.7029 4.7398 7.0498 7.0536 7.4520 7.5273 7.9370 8.0168 9.1086 9.1336 k = 0.1585-0.1400 0.1721 ( 20724 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.7974 -9.7965 -8.0353 -8.0314 -7.5488 -7.5442 -7.2183 -7.2154 -5.1072 -5.1041 -3.5593 -3.5526 -0.4365 -0.4090 -0.0573 -0.0334 0.2285 0.2480 1.4758 1.5289 1.7247 1.7702 2.1324 2.1849 2.6227 2.6450 3.1579 3.2128 3.4889 3.5576 3.6878 3.7230 4.0987 4.2111 4.7018 4.7373 7.0708 7.0756 7.4740 7.5382 8.0203 8.0884 9.1870 9.2083 k = 0.1463-0.1292 0.1588 ( 20726 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.8184 -9.8176 -8.0047 -8.0008 -7.5506 -7.5460 -7.2147 -7.2120 -5.0998 -5.0968 -3.5191 -3.5126 -0.4791 -0.4515 -0.0719 -0.0465 0.1816 0.1993 1.4744 1.5247 1.7180 1.7476 2.1049 2.1560 2.5831 2.5993 3.1642 3.2256 3.4585 3.5296 3.6921 3.7370 4.1487 4.2604 4.7013 4.7355 7.0901 7.0958 7.4885 7.5427 8.1003 8.1581 9.2557 9.2730 k = 0.1341-0.1185 0.1456 ( 20721 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.8379 -9.8371 -7.9745 -7.9706 -7.5535 -7.5489 -7.2118 -7.2092 -5.0927 -5.0899 -3.4813 -3.4752 -0.5169 -0.4892 -0.0978 -0.0701 0.1497 0.1677 1.4681 1.5178 1.7111 1.7252 2.0831 2.1332 2.5442 2.5566 3.1646 3.2306 3.4328 3.5043 3.7011 3.7528 4.1996 4.3086 4.7015 4.7345 7.1076 7.1140 7.4965 7.5419 8.1765 8.2253 9.3148 9.3283 k = 0.1220-0.1077 0.1324 ( 20715 PWs) bands (ev): -40.5209 -40.5209 -40.5204 -40.5204 -9.8558 -9.8551 -7.9448 -7.9408 -7.5575 -7.5529 -7.2093 -7.2070 -5.0860 -5.0833 -3.4462 -3.4405 -0.5496 -0.5218 -0.1358 -0.1064 0.1347 0.1540 1.4576 1.5088 1.6962 1.7083 2.0678 2.1170 2.5071 2.5179 3.1580 3.2245 3.4156 3.4835 3.7135 3.7691 4.2500 4.3545 4.7029 4.7345 7.1230 7.1300 7.4994 7.5369 8.2482 8.2891 9.3642 9.3750 k = 0.1098-0.0969 0.1191 ( 20713 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8721 -9.8715 -7.9157 -7.9117 -7.5628 -7.5582 -7.2073 -7.2052 -5.0798 -5.0772 -3.4139 -3.4087 -0.5769 -0.5489 -0.1825 -0.1523 0.1339 0.1538 1.4440 1.4978 1.6726 1.6963 2.0594 2.1072 2.4729 2.4838 3.1445 3.2065 3.4078 3.4680 3.7284 3.7853 4.2986 4.3970 4.7057 4.7358 7.1361 7.1436 7.4984 7.5290 8.3147 8.3491 9.4011 9.4118 k = 0.0976-0.0862 0.1059 ( 20710 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8867 -9.8862 -7.8873 -7.8832 -7.5694 -7.5648 -7.2056 -7.2037 -5.0740 -5.0717 -3.3847 -3.3799 -0.5986 -0.5706 -0.2332 -0.2030 0.1424 0.1619 1.4285 1.4846 1.6482 1.6820 2.0571 2.1026 2.4427 2.4547 3.1251 3.1799 3.4072 3.4574 3.7450 3.8007 4.3444 4.4350 4.7105 4.7386 7.1469 7.1546 7.4949 7.5195 8.3756 8.4044 9.4073 9.4183 k = 0.0854-0.0754 0.0927 ( 20710 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.8997 -9.8992 -7.8597 -7.8557 -7.5772 -7.5727 -7.2043 -7.2026 -5.0688 -5.0667 -3.3586 -3.3543 -0.6147 -0.5865 -0.2848 -0.2548 0.1562 0.1748 1.4124 1.4690 1.6253 1.6652 2.0596 2.1015 2.4176 2.4308 3.1017 3.1486 3.4103 3.4508 3.7622 3.8147 4.3861 4.4675 4.7174 4.7430 7.1552 7.1629 7.4902 7.5096 8.4305 8.4546 9.3756 9.3804 k = 0.0732-0.0646 0.0794 ( 20703 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9110 -9.9106 -7.8332 -7.8291 -7.5863 -7.5818 -7.2032 -7.2018 -5.0641 -5.0623 -3.3357 -3.3320 -0.6250 -0.5968 -0.3352 -0.3055 0.1727 0.1898 1.3966 1.4513 1.6053 1.6471 2.0650 2.1021 2.3982 2.4124 3.0763 3.1158 3.4150 3.4469 3.7793 3.8270 4.4230 4.4937 4.7266 4.7490 7.1613 7.1687 7.4851 7.5002 8.4790 8.4992 9.3367 9.3393 k = 0.0610-0.0538 0.0662 ( 20699 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9206 -9.9202 -7.8079 -7.8039 -7.5966 -7.5922 -7.2024 -7.2012 -5.0601 -5.0586 -3.3162 -3.3130 -0.6296 -0.6013 -0.3833 -0.3539 0.1901 0.2052 1.3819 1.4319 1.5891 1.6290 2.0714 2.1029 2.3847 2.3991 3.0510 3.0838 3.4200 3.4447 3.7957 3.8372 4.4545 4.5134 4.7375 4.7562 7.1652 7.1720 7.4805 7.4919 8.5209 8.5375 9.2998 9.3015 k = 0.0488-0.0431 0.0529 ( 20693 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9284 -9.9281 -7.7842 -7.7802 -7.6078 -7.6036 -7.2018 -7.2008 -5.0568 -5.0555 -3.3001 -3.2975 -0.6285 -0.6002 -0.4282 -0.3991 0.2068 0.2196 1.3693 1.4121 1.5772 1.6121 2.0776 2.1029 2.3768 2.3905 3.0279 3.0543 3.4247 3.4434 3.8107 3.8449 4.4805 4.5270 4.7492 4.7640 7.1676 7.1735 7.4768 7.4850 8.5559 8.5691 9.2676 9.2689 k = 0.0366-0.0323 0.0397 ( 20699 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9345 -9.9343 -7.7624 -7.7587 -7.6196 -7.6157 -7.2013 -7.2006 -5.0541 -5.0532 -3.2874 -3.2855 -0.6219 -0.5936 -0.4693 -0.4405 0.2217 0.2318 1.3597 1.3932 1.5695 1.5971 2.0830 2.1019 2.3736 2.3853 3.0086 3.0287 3.4290 3.4424 3.8239 3.8501 4.5010 4.5353 4.7604 4.7713 7.1688 7.1735 7.4741 7.4798 8.5838 8.5938 9.2414 9.2425 k = 0.0244-0.0215 0.0265 ( 20702 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9389 -9.9388 -7.7435 -7.7403 -7.6309 -7.6276 -7.2009 -7.2004 -5.0522 -5.0515 -3.2782 -3.2769 -0.6098 -0.5819 -0.5059 -0.4776 0.2338 0.2407 1.3538 1.3769 1.5656 1.5846 2.0874 2.0999 2.3738 2.3824 2.9946 3.0082 3.4326 3.4413 3.8348 3.8526 4.5166 4.5390 4.7699 4.7771 7.1695 7.1728 7.4724 7.4760 8.6044 8.6111 9.2221 9.2229 k = 0.0122-0.0108 0.0132 ( 20705 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9415 -9.9414 -7.7292 -7.7272 -7.6398 -7.6377 -7.2007 -7.2004 -5.0509 -5.0506 -3.2726 -3.2720 -0.5926 -0.5669 -0.5358 -0.5099 0.2421 0.2456 1.3524 1.3641 1.5654 1.5750 2.0911 2.0973 2.3756 2.3802 2.9871 2.9940 3.4356 3.4399 3.8433 3.8523 4.5278 4.5389 4.7768 4.7803 7.1700 7.1717 7.4718 7.4735 8.6175 8.6209 9.2104 9.2108 k = 0.0000 0.0000 0.0000 ( 20701 PWs) bands (ev): -40.5209 -40.5209 -40.5203 -40.5203 -9.9424 -9.9424 -7.7229 -7.7229 -7.6426 -7.6426 -7.2005 -7.2005 -5.0504 -5.0504 -3.2705 -3.2705 -0.5719 -0.5719 -0.5358 -0.5358 0.2461 0.2461 1.3558 1.3558 1.5686 1.5686 2.0943 2.0943 2.3780 2.3780 2.9869 2.9869 3.4381 3.4381 3.8492 3.8492 4.5351 4.5351 4.7803 4.7803 7.1708 7.1708 7.4722 7.4722 8.6230 8.6230 9.2066 9.2066 Writing output data file LiAsSe2.save init_run : 2.53s CPU 10.84s WALL ( 1 calls) electrons : 1242.91s CPU 1257.48s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.19s WALL ( 1 calls) potinit : 0.37s CPU 1.40s WALL ( 1 calls) Called by electrons: c_bands : 1242.88s CPU 1256.88s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.91s WALL ( 1 calls) v_h : 0.05s CPU 0.06s WALL ( 1 calls) v_xc : 0.06s CPU 0.61s WALL ( 1 calls) newd : 0.48s CPU 0.61s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.19s CPU 0.33s WALL ( 281 calls) cegterg : 1131.41s CPU 1139.62s WALL ( 607 calls) Called by sum_band: Called by *egterg: h_psi : 793.07s CPU 801.35s WALL ( 10877 calls) s_psi : 23.54s CPU 23.78s WALL ( 10877 calls) g_psi : 2.66s CPU 2.71s WALL ( 9989 calls) cdiaghg : 162.07s CPU 160.20s WALL ( 10270 calls) cegterg:over : 96.24s CPU 93.69s WALL ( 9989 calls) cegterg:upda : 46.53s CPU 49.94s WALL ( 9989 calls) cegterg:last : 35.46s CPU 36.19s WALL ( 1731 calls) Called by h_psi: h_psi:vloc : 726.44s CPU 732.52s WALL ( 10877 calls) h_psi:vnl : 64.46s CPU 65.81s WALL ( 10877 calls) add_vuspsi : 20.10s CPU 23.65s WALL ( 10877 calls) General routines calbec : 44.31s CPU 42.04s WALL ( 10877 calls) fft : 0.56s CPU 1.69s WALL ( 15 calls) fftw : 676.29s CPU 679.70s WALL ( 978792 calls) davcio : 0.05s CPU 5.16s WALL ( 562 calls) Parallel routines fft_scatter : 268.86s CPU 271.30s WALL ( 978807 calls) PWSCF : 22m23.91s CPU 25m18.11s WALL This run was terminated on: 4:11:17 31Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=