Program PWSCF v.5.1.1 starts on 31Oct2015 at 15: 8:40 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: ./LiAsS2.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 77 77 21 3114 3114 445 Max 78 78 22 3117 3117 449 Sum 3737 3737 1025 149551 149551 21445 bravais-lattice index = 14 lattice parameter (alat) = 12.3048 a.u. unit-cell volume = 1062.7106 (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)= 12.304770 celldm(2)= 1.000000 celldm(3)= 0.821758 celldm(4)= 0.359103 celldm(5)= 0.359103 celldm(6)= 0.655150 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.655150 0.755499 0.000000 ) a(3) = ( 0.295096 0.134697 0.755024 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.867176 -0.236137 ) b(2) = ( 0.000000 1.323629 -0.236137 ) b(3) = ( 0.000000 0.000000 1.324461 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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. # 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 S 6.00 32.06500 S( 1.00) As 5.00 74.92160 As( 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= 288 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0172414 0.0078699 -0.0081427), wk = 0.0034722 k( 3) = ( 0.0344828 0.0157398 -0.0162853), wk = 0.0034722 k( 4) = ( 0.0517241 0.0236096 -0.0244280), wk = 0.0034722 k( 5) = ( 0.0689655 0.0314795 -0.0325707), wk = 0.0034722 k( 6) = ( 0.0862069 0.0393494 -0.0407134), wk = 0.0034722 k( 7) = ( 0.1034483 0.0472193 -0.0488560), wk = 0.0034722 k( 8) = ( 0.1206897 0.0550892 -0.0569987), wk = 0.0034722 k( 9) = ( 0.1379310 0.0629590 -0.0651414), wk = 0.0034722 k( 10) = ( 0.1551724 0.0708289 -0.0732840), wk = 0.0034722 k( 11) = ( 0.1724138 0.0786988 -0.0814267), wk = 0.0034722 k( 12) = ( 0.1896552 0.0865687 -0.0895694), wk = 0.0034722 k( 13) = ( 0.2068966 0.0944386 -0.0977120), wk = 0.0034722 k( 14) = ( 0.2241379 0.1023085 -0.1058547), wk = 0.0034722 k( 15) = ( 0.2413793 0.1101783 -0.1139974), wk = 0.0034722 k( 16) = ( 0.2586207 0.1180482 -0.1221400), wk = 0.0034722 k( 17) = ( 0.2758621 0.1259181 -0.1302827), wk = 0.0034722 k( 18) = ( 0.2931034 0.1337880 -0.1384254), wk = 0.0034722 k( 19) = ( 0.3103448 0.1416579 -0.1465681), wk = 0.0034722 k( 20) = ( 0.3275862 0.1495277 -0.1547107), wk = 0.0034722 k( 21) = ( 0.3448276 0.1573976 -0.1628534), wk = 0.0034722 k( 22) = ( 0.3620690 0.1652675 -0.1709961), wk = 0.0034722 k( 23) = ( 0.3793103 0.1731374 -0.1791387), wk = 0.0034722 k( 24) = ( 0.3965517 0.1810073 -0.1872814), wk = 0.0034722 k( 25) = ( 0.4137931 0.1888771 -0.1954241), wk = 0.0034722 k( 26) = ( 0.4310345 0.1967470 -0.2035667), wk = 0.0034722 k( 27) = ( 0.4482759 0.2046169 -0.2117094), wk = 0.0034722 k( 28) = ( 0.4655172 0.2124868 -0.2198521), wk = 0.0034722 k( 29) = ( 0.4827586 0.2203567 -0.2279948), wk = 0.0034722 k( 30) = ( 0.5000000 0.2282266 -0.2361374), wk = 0.0034722 k( 31) = ( 0.5000000 0.2282266 -0.2361374), wk = 0.0034722 k( 32) = ( 0.5072407 0.2315316 -0.2176117), wk = 0.0034722 k( 33) = ( 0.5144813 0.2348366 -0.1990859), wk = 0.0034722 k( 34) = ( 0.5217220 0.2381416 -0.1805601), wk = 0.0034722 k( 35) = ( 0.5289627 0.2414467 -0.1620343), wk = 0.0034722 k( 36) = ( 0.5362034 0.2447517 -0.1435085), wk = 0.0034722 k( 37) = ( 0.5434440 0.2480567 -0.1249827), wk = 0.0034722 k( 38) = ( 0.5506847 0.2513617 -0.1064570), wk = 0.0034722 k( 39) = ( 0.5579254 0.2546668 -0.0879312), wk = 0.0034722 k( 40) = ( 0.5651660 0.2579718 -0.0694054), wk = 0.0034722 k( 41) = ( 0.5724067 0.2612768 -0.0508796), wk = 0.0034722 k( 42) = ( 0.5796474 0.2645818 -0.0323538), wk = 0.0034722 k( 43) = ( 0.5868880 0.2678869 -0.0138280), wk = 0.0034722 k( 44) = ( 0.5941287 0.2711919 0.0046977), wk = 0.0034722 k( 45) = ( 0.6013694 0.2744969 0.0232235), wk = 0.0034722 k( 46) = ( 0.6086101 0.2778020 0.0417493), wk = 0.0034722 k( 47) = ( 0.6158507 0.2811070 0.0602751), wk = 0.0034722 k( 48) = ( 0.6230914 0.2844120 0.0788009), wk = 0.0034722 k( 49) = ( 0.6303321 0.2877170 0.0973266), wk = 0.0034722 k( 50) = ( 0.6375728 0.2910221 0.1158524), wk = 0.0034722 k( 51) = ( 0.6448134 0.2943271 0.1343782), wk = 0.0034722 k( 52) = ( 0.6520541 0.2976321 0.1529040), wk = 0.0034722 k( 53) = ( 0.6592948 0.3009371 0.1714298), wk = 0.0034722 k( 54) = ( 0.6665354 0.3042422 0.1899555), wk = 0.0034722 k( 55) = ( 0.6665354 0.3042422 0.1899555), wk = 0.0034722 k( 56) = ( 0.6554331 0.2991745 0.2056981), wk = 0.0034722 k( 57) = ( 0.6443307 0.2941068 0.2214406), wk = 0.0034722 k( 58) = ( 0.6332283 0.2890391 0.2371830), wk = 0.0034722 k( 59) = ( 0.6221260 0.2839713 0.2529255), wk = 0.0034722 k( 60) = ( 0.6110236 0.2789036 0.2686680), wk = 0.0034722 k( 61) = ( 0.5999213 0.2738359 0.2844105), wk = 0.0034722 k( 62) = ( 0.5888189 0.2687682 0.3001530), wk = 0.0034722 k( 63) = ( 0.5777165 0.2637005 0.3158955), wk = 0.0034722 k( 64) = ( 0.5666142 0.2586328 0.3316380), wk = 0.0034722 k( 65) = ( 0.5555118 0.2535651 0.3473805), wk = 0.0034722 k( 66) = ( 0.5444094 0.2484974 0.3631230), wk = 0.0034722 k( 67) = ( 0.5333071 0.2434297 0.3788655), wk = 0.0034722 k( 68) = ( 0.5222047 0.2383620 0.3946080), wk = 0.0034722 k( 69) = ( 0.5111024 0.2332943 0.4103505), wk = 0.0034722 k( 70) = ( 0.5000000 0.2282266 0.4260930), wk = 0.0034722 k( 71) = ( 0.5000000 0.2282266 0.4260930), wk = 0.0034722 k( 72) = ( 0.5083526 0.2099277 0.4260930), wk = 0.0034722 k( 73) = ( 0.5167052 0.1916288 0.4260930), wk = 0.0034722 k( 74) = ( 0.5250577 0.1733299 0.4260930), wk = 0.0034722 k( 75) = ( 0.5334103 0.1550311 0.4260930), wk = 0.0034722 k( 76) = ( 0.5417629 0.1367322 0.4260930), wk = 0.0034722 k( 77) = ( 0.5501155 0.1184333 0.4260930), wk = 0.0034722 k( 78) = ( 0.5584680 0.1001344 0.4260930), wk = 0.0034722 k( 79) = ( 0.5668206 0.0818356 0.4260930), wk = 0.0034722 k( 80) = ( 0.5751732 0.0635367 0.4260930), wk = 0.0034722 k( 81) = ( 0.5835258 0.0452378 0.4260930), wk = 0.0034722 k( 82) = ( 0.5918784 0.0269389 0.4260930), wk = 0.0034722 k( 83) = ( 0.6002309 0.0086401 0.4260930), wk = 0.0034722 k( 84) = ( 0.6085835 -0.0096588 0.4260930), wk = 0.0034722 k( 85) = ( 0.6169361 -0.0279577 0.4260930), wk = 0.0034722 k( 86) = ( 0.6252887 -0.0462566 0.4260930), wk = 0.0034722 k( 87) = ( 0.6336413 -0.0645554 0.4260930), wk = 0.0034722 k( 88) = ( 0.6419938 -0.0828543 0.4260930), wk = 0.0034722 k( 89) = ( 0.6503464 -0.1011532 0.4260930), wk = 0.0034722 k( 90) = ( 0.6586990 -0.1194520 0.4260930), wk = 0.0034722 k( 91) = ( 0.6670516 -0.1377509 0.4260930), wk = 0.0034722 k( 92) = ( 0.6754041 -0.1560498 0.4260930), wk = 0.0034722 k( 93) = ( 0.6837567 -0.1743487 0.4260930), wk = 0.0034722 k( 94) = ( 0.6921093 -0.1926476 0.4260930), wk = 0.0034722 k( 95) = ( 0.7004619 -0.2109464 0.4260930), wk = 0.0034722 k( 96) = ( 0.7088144 -0.2292453 0.4260930), wk = 0.0034722 k( 97) = ( 0.7171670 -0.2475442 0.4260930), wk = 0.0034722 k( 98) = ( 0.7255196 -0.2658431 0.4260930), wk = 0.0034722 k( 99) = ( 0.7338722 -0.2841419 0.4260930), wk = 0.0034722 k( 100) = ( 0.7422248 -0.3024408 0.4260930), wk = 0.0034722 k( 101) = ( 0.2577752 -0.5647354 0.6622304), wk = 0.0034722 k( 102) = ( 0.2491827 -0.5459109 0.6622304), wk = 0.0034722 k( 103) = ( 0.2405902 -0.5270864 0.6622304), wk = 0.0034722 k( 104) = ( 0.2319977 -0.5082619 0.6622304), wk = 0.0034722 k( 105) = ( 0.2234052 -0.4894373 0.6622304), wk = 0.0034722 k( 106) = ( 0.2148127 -0.4706129 0.6622304), wk = 0.0034722 k( 107) = ( 0.2062202 -0.4517883 0.6622304), wk = 0.0034722 k( 108) = ( 0.1976277 -0.4329638 0.6622304), wk = 0.0034722 k( 109) = ( 0.1890352 -0.4141393 0.6622304), wk = 0.0034722 k( 110) = ( 0.1804427 -0.3953148 0.6622304), wk = 0.0034722 k( 111) = ( 0.1718502 -0.3764903 0.6622304), wk = 0.0034722 k( 112) = ( 0.1632577 -0.3576658 0.6622304), wk = 0.0034722 k( 113) = ( 0.1546651 -0.3388412 0.6622304), wk = 0.0034722 k( 114) = ( 0.1460726 -0.3200167 0.6622304), wk = 0.0034722 k( 115) = ( 0.1374801 -0.3011922 0.6622304), wk = 0.0034722 k( 116) = ( 0.1288876 -0.2823677 0.6622304), wk = 0.0034722 k( 117) = ( 0.1202951 -0.2635432 0.6622304), wk = 0.0034722 k( 118) = ( 0.1117026 -0.2447187 0.6622304), wk = 0.0034722 k( 119) = ( 0.1031101 -0.2258942 0.6622304), wk = 0.0034722 k( 120) = ( 0.0945176 -0.2070697 0.6622304), wk = 0.0034722 k( 121) = ( 0.0859251 -0.1882451 0.6622304), wk = 0.0034722 k( 122) = ( 0.0773326 -0.1694206 0.6622304), wk = 0.0034722 k( 123) = ( 0.0687401 -0.1505961 0.6622304), wk = 0.0034722 k( 124) = ( 0.0601476 -0.1317716 0.6622304), wk = 0.0034722 k( 125) = ( 0.0515550 -0.1129471 0.6622304), wk = 0.0034722 k( 126) = ( 0.0429625 -0.0941226 0.6622304), wk = 0.0034722 k( 127) = ( 0.0343700 -0.0752981 0.6622304), wk = 0.0034722 k( 128) = ( 0.0257775 -0.0564735 0.6622304), wk = 0.0034722 k( 129) = ( 0.0171850 -0.0376490 0.6622304), wk = 0.0034722 k( 130) = ( 0.0085925 -0.0188245 0.6622304), wk = 0.0034722 k( 131) = ( 0.0000000 0.0000000 0.6622304), wk = 0.0034722 k( 132) = ( 0.0000000 0.0000000 0.6622304), wk = 0.0034722 k( 133) = ( 0.0185258 0.0084562 0.6622304), wk = 0.0034722 k( 134) = ( 0.0370516 0.0169123 0.6622304), wk = 0.0034722 k( 135) = ( 0.0555774 0.0253685 0.6622304), wk = 0.0034722 k( 136) = ( 0.0741032 0.0338247 0.6622304), wk = 0.0034722 k( 137) = ( 0.0926291 0.0422808 0.6622304), wk = 0.0034722 k( 138) = ( 0.1111548 0.0507370 0.6622304), wk = 0.0034722 k( 139) = ( 0.1296807 0.0591931 0.6622304), wk = 0.0034722 k( 140) = ( 0.1482065 0.0676493 0.6622304), wk = 0.0034722 k( 141) = ( 0.1667323 0.0761055 0.6622304), wk = 0.0034722 k( 142) = ( 0.1852581 0.0845616 0.6622304), wk = 0.0034722 k( 143) = ( 0.2037839 0.0930178 0.6622304), wk = 0.0034722 k( 144) = ( 0.2223097 0.1014740 0.6622304), wk = 0.0034722 k( 145) = ( 0.2408355 0.1099301 0.6622304), wk = 0.0034722 k( 146) = ( 0.2593613 0.1183863 0.6622304), wk = 0.0034722 k( 147) = ( 0.2778871 0.1268424 0.6622304), wk = 0.0034722 k( 148) = ( 0.2964130 0.1352986 0.6622304), wk = 0.0034722 k( 149) = ( 0.3149388 0.1437548 0.6622304), wk = 0.0034722 k( 150) = ( 0.3334646 0.1522109 0.6622304), wk = 0.0034722 k( 151) = ( 0.5000000 0.2282266 -0.2361374), wk = 0.0034722 k( 152) = ( 0.5085590 0.2094755 -0.2361374), wk = 0.0034722 k( 153) = ( 0.5171180 0.1907243 -0.2361374), wk = 0.0034722 k( 154) = ( 0.5256770 0.1719732 -0.2361374), wk = 0.0034722 k( 155) = ( 0.5342360 0.1532221 -0.2361374), wk = 0.0034722 k( 156) = ( 0.5427950 0.1344710 -0.2361374), wk = 0.0034722 k( 157) = ( 0.5513540 0.1157199 -0.2361374), wk = 0.0034722 k( 158) = ( 0.5599130 0.0969688 -0.2361374), wk = 0.0034722 k( 159) = ( 0.5684720 0.0782177 -0.2361374), wk = 0.0034722 k( 160) = ( 0.5770310 0.0594665 -0.2361374), wk = 0.0034722 k( 161) = ( 0.5855900 0.0407154 -0.2361374), wk = 0.0034722 k( 162) = ( 0.5941490 0.0219643 -0.2361374), wk = 0.0034722 k( 163) = ( 0.6027080 0.0032132 -0.2361374), wk = 0.0034722 k( 164) = ( 0.6112671 -0.0155379 -0.2361374), wk = 0.0034722 k( 165) = ( 0.6198261 -0.0342890 -0.2361374), wk = 0.0034722 k( 166) = ( 0.6283851 -0.0530401 -0.2361374), wk = 0.0034722 k( 167) = ( 0.6369441 -0.0717912 -0.2361374), wk = 0.0034722 k( 168) = ( 0.6455031 -0.0905424 -0.2361374), wk = 0.0034722 k( 169) = ( 0.6540621 -0.1092935 -0.2361374), wk = 0.0034722 k( 170) = ( 0.6626211 -0.1280446 -0.2361374), wk = 0.0034722 k( 171) = ( 0.6711801 -0.1467957 -0.2361374), wk = 0.0034722 k( 172) = ( 0.6797391 -0.1655468 -0.2361374), wk = 0.0034722 k( 173) = ( 0.6882981 -0.1842979 -0.2361374), wk = 0.0034722 k( 174) = ( 0.3117019 -0.6828783 -0.0000000), wk = 0.0034722 k( 175) = ( 0.3032775 -0.6644221 -0.0000000), wk = 0.0034722 k( 176) = ( 0.2948532 -0.6459660 -0.0000000), wk = 0.0034722 k( 177) = ( 0.2864288 -0.6275098 -0.0000000), wk = 0.0034722 k( 178) = ( 0.2780044 -0.6090536 -0.0000000), wk = 0.0034722 k( 179) = ( 0.2695800 -0.5905974 -0.0000000), wk = 0.0034722 k( 180) = ( 0.2611557 -0.5721413 -0.0000000), wk = 0.0034722 k( 181) = ( 0.2527313 -0.5536851 -0.0000000), wk = 0.0034722 k( 182) = ( 0.2443069 -0.5352289 -0.0000000), wk = 0.0034722 k( 183) = ( 0.2358825 -0.5167728 -0.0000000), wk = 0.0034722 k( 184) = ( 0.2274582 -0.4983166 -0.0000000), wk = 0.0034722 k( 185) = ( 0.2190338 -0.4798604 -0.0000000), wk = 0.0034722 k( 186) = ( 0.2106094 -0.4614043 -0.0000000), wk = 0.0034722 k( 187) = ( 0.2021850 -0.4429481 -0.0000000), wk = 0.0034722 k( 188) = ( 0.1937607 -0.4244919 -0.0000000), wk = 0.0034722 k( 189) = ( 0.1853363 -0.4060357 -0.0000000), wk = 0.0034722 k( 190) = ( 0.1769119 -0.3875796 -0.0000000), wk = 0.0034722 k( 191) = ( 0.1684875 -0.3691234 -0.0000000), wk = 0.0034722 k( 192) = ( 0.1600631 -0.3506672 -0.0000000), wk = 0.0034722 k( 193) = ( 0.1516388 -0.3322111 -0.0000000), wk = 0.0034722 k( 194) = ( 0.1432144 -0.3137549 -0.0000000), wk = 0.0034722 k( 195) = ( 0.1347900 -0.2952987 -0.0000000), wk = 0.0034722 k( 196) = ( 0.1263656 -0.2768425 -0.0000000), wk = 0.0034722 k( 197) = ( 0.1179413 -0.2583864 -0.0000000), wk = 0.0034722 k( 198) = ( 0.1095169 -0.2399302 -0.0000000), wk = 0.0034722 k( 199) = ( 0.1010925 -0.2214740 -0.0000000), wk = 0.0034722 k( 200) = ( 0.0926681 -0.2030179 -0.0000000), wk = 0.0034722 k( 201) = ( 0.0842438 -0.1845617 -0.0000000), wk = 0.0034722 k( 202) = ( 0.0758194 -0.1661055 -0.0000000), wk = 0.0034722 k( 203) = ( 0.0673950 -0.1476494 -0.0000000), wk = 0.0034722 k( 204) = ( 0.0589706 -0.1291932 -0.0000000), wk = 0.0034722 k( 205) = ( 0.0505463 -0.1107370 -0.0000000), wk = 0.0034722 k( 206) = ( 0.0421219 -0.0922808 -0.0000000), wk = 0.0034722 k( 207) = ( 0.0336975 -0.0738247 -0.0000000), wk = 0.0034722 k( 208) = ( 0.0252731 -0.0553685 -0.0000000), wk = 0.0034722 k( 209) = ( 0.0168487 -0.0369123 -0.0000000), wk = 0.0034722 k( 210) = ( 0.0084244 -0.0184562 -0.0000000), wk = 0.0034722 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 212) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 213) = ( 0.0151515 -0.0131390 -0.0035778), wk = 0.0034722 k( 214) = ( 0.0303030 -0.0262781 -0.0071557), wk = 0.0034722 k( 215) = ( 0.0454546 -0.0394171 -0.0107335), wk = 0.0034722 k( 216) = ( 0.0606061 -0.0525561 -0.0143114), wk = 0.0034722 k( 217) = ( 0.0757576 -0.0656952 -0.0178892), wk = 0.0034722 k( 218) = ( 0.0909091 -0.0788342 -0.0214670), wk = 0.0034722 k( 219) = ( 0.1060606 -0.0919732 -0.0250449), wk = 0.0034722 k( 220) = ( 0.1212121 -0.1051123 -0.0286227), wk = 0.0034722 k( 221) = ( 0.1363636 -0.1182513 -0.0322006), wk = 0.0034722 k( 222) = ( 0.1515151 -0.1313903 -0.0357784), wk = 0.0034722 k( 223) = ( 0.1666667 -0.1445294 -0.0393562), wk = 0.0034722 k( 224) = ( 0.1818182 -0.1576684 -0.0429341), wk = 0.0034722 k( 225) = ( 0.1969697 -0.1708074 -0.0465119), wk = 0.0034722 k( 226) = ( 0.2121212 -0.1839465 -0.0500898), wk = 0.0034722 k( 227) = ( 0.2272727 -0.1970855 -0.0536676), wk = 0.0034722 k( 228) = ( 0.2424242 -0.2102245 -0.0572454), wk = 0.0034722 k( 229) = ( 0.2575758 -0.2233636 -0.0608233), wk = 0.0034722 k( 230) = ( 0.2727273 -0.2365026 -0.0644011), wk = 0.0034722 k( 231) = ( 0.2878788 -0.2496416 -0.0679790), wk = 0.0034722 k( 232) = ( 0.3030303 -0.2627807 -0.0715568), wk = 0.0034722 k( 233) = ( 0.3181818 -0.2759197 -0.0751346), wk = 0.0034722 k( 234) = ( 0.3333333 -0.2890587 -0.0787125), wk = 0.0034722 k( 235) = ( 0.3484849 -0.3021978 -0.0822903), wk = 0.0034722 k( 236) = ( 0.3636364 -0.3153368 -0.0858682), wk = 0.0034722 k( 237) = ( 0.3787879 -0.3284758 -0.0894460), wk = 0.0034722 k( 238) = ( 0.3939394 -0.3416149 -0.0930238), wk = 0.0034722 k( 239) = ( 0.4090909 -0.3547539 -0.0966017), wk = 0.0034722 k( 240) = ( 0.4242424 -0.3678929 -0.1001795), wk = 0.0034722 k( 241) = ( 0.4393939 -0.3810320 -0.1037574), wk = 0.0034722 k( 242) = ( 0.4545455 -0.3941710 -0.1073352), wk = 0.0034722 k( 243) = ( 0.4696970 -0.4073100 -0.1109130), wk = 0.0034722 k( 244) = ( 0.4848485 -0.4204491 -0.1144909), wk = 0.0034722 k( 245) = ( 0.5000000 -0.4335881 -0.1180687), wk = 0.0034722 k( 246) = ( 0.5000000 -0.4335881 0.5441617), wk = 0.0034722 k( 247) = ( 0.4880952 -0.4232646 0.5312055), wk = 0.0034722 k( 248) = ( 0.4761905 -0.4129411 0.5182492), wk = 0.0034722 k( 249) = ( 0.4642857 -0.4026175 0.5052930), wk = 0.0034722 k( 250) = ( 0.4523810 -0.3922940 0.4923368), wk = 0.0034722 k( 251) = ( 0.4404762 -0.3819705 0.4793805), wk = 0.0034722 k( 252) = ( 0.4285714 -0.3716469 0.4664243), wk = 0.0034722 k( 253) = ( 0.4166667 -0.3613234 0.4534681), wk = 0.0034722 k( 254) = ( 0.4047619 -0.3509999 0.4405118), wk = 0.0034722 k( 255) = ( 0.3928571 -0.3406764 0.4275556), wk = 0.0034722 k( 256) = ( 0.3809524 -0.3303528 0.4145994), wk = 0.0034722 k( 257) = ( 0.3690476 -0.3200293 0.4016432), wk = 0.0034722 k( 258) = ( 0.3571429 -0.3097058 0.3886869), wk = 0.0034722 k( 259) = ( 0.3452381 -0.2993823 0.3757307), wk = 0.0034722 k( 260) = ( 0.3333333 -0.2890587 0.3627745), wk = 0.0034722 k( 261) = ( 0.3214286 -0.2787352 0.3498182), wk = 0.0034722 k( 262) = ( 0.3095238 -0.2684117 0.3368620), wk = 0.0034722 k( 263) = ( 0.2976190 -0.2580882 0.3239058), wk = 0.0034722 k( 264) = ( 0.2857143 -0.2477646 0.3109495), wk = 0.0034722 k( 265) = ( 0.2738095 -0.2374411 0.2979933), wk = 0.0034722 k( 266) = ( 0.2619048 -0.2271176 0.2850371), wk = 0.0034722 k( 267) = ( 0.2500000 -0.2167941 0.2720808), wk = 0.0034722 k( 268) = ( 0.2380952 -0.2064705 0.2591246), wk = 0.0034722 k( 269) = ( 0.2261905 -0.1961470 0.2461684), wk = 0.0034722 k( 270) = ( 0.2142857 -0.1858235 0.2332122), wk = 0.0034722 k( 271) = ( 0.2023810 -0.1754999 0.2202559), wk = 0.0034722 k( 272) = ( 0.1904762 -0.1651764 0.2072997), wk = 0.0034722 k( 273) = ( 0.1785714 -0.1548529 0.1943435), wk = 0.0034722 k( 274) = ( 0.1666667 -0.1445294 0.1813872), wk = 0.0034722 k( 275) = ( 0.1547619 -0.1342058 0.1684310), wk = 0.0034722 k( 276) = ( 0.1428571 -0.1238823 0.1554748), wk = 0.0034722 k( 277) = ( 0.1309524 -0.1135588 0.1425185), wk = 0.0034722 k( 278) = ( 0.1190476 -0.1032353 0.1295623), wk = 0.0034722 k( 279) = ( 0.1071429 -0.0929117 0.1166061), wk = 0.0034722 k( 280) = ( 0.0952381 -0.0825882 0.1036499), wk = 0.0034722 k( 281) = ( 0.0833333 -0.0722647 0.0906936), wk = 0.0034722 k( 282) = ( 0.0714286 -0.0619412 0.0777374), wk = 0.0034722 k( 283) = ( 0.0595238 -0.0516176 0.0647812), wk = 0.0034722 k( 284) = ( 0.0476191 -0.0412941 0.0518249), wk = 0.0034722 k( 285) = ( 0.0357143 -0.0309706 0.0388687), wk = 0.0034722 k( 286) = ( 0.0238095 -0.0206470 0.0259125), wk = 0.0034722 k( 287) = ( 0.0119048 -0.0103235 0.0129562), wk = 0.0034722 k( 288) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0034722 k( 3) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0034722 k( 4) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0034722 k( 5) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0034722 k( 6) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0034722 k( 7) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0034722 k( 8) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0034722 k( 9) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0034722 k( 10) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0034722 k( 11) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0034722 k( 12) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0034722 k( 13) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0034722 k( 14) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0034722 k( 15) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0034722 k( 16) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0034722 k( 17) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0034722 k( 18) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0034722 k( 19) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0034722 k( 20) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0034722 k( 21) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0034722 k( 22) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0034722 k( 23) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0034722 k( 24) = ( 0.3965517 0.3965517 0.0000000), wk = 0.0034722 k( 25) = ( 0.4137931 0.4137931 0.0000000), wk = 0.0034722 k( 26) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0034722 k( 27) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0034722 k( 28) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0034722 k( 29) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0034722 k( 30) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034722 k( 31) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034722 k( 32) = ( 0.5072407 0.5072407 0.0165693), wk = 0.0034722 k( 33) = ( 0.5144813 0.5144813 0.0331386), wk = 0.0034722 k( 34) = ( 0.5217220 0.5217220 0.0497079), wk = 0.0034722 k( 35) = ( 0.5289627 0.5289627 0.0662771), wk = 0.0034722 k( 36) = ( 0.5362034 0.5362034 0.0828464), wk = 0.0034722 k( 37) = ( 0.5434440 0.5434440 0.0994157), wk = 0.0034722 k( 38) = ( 0.5506847 0.5506847 0.1159850), wk = 0.0034722 k( 39) = ( 0.5579254 0.5579254 0.1325543), wk = 0.0034722 k( 40) = ( 0.5651660 0.5651660 0.1491236), wk = 0.0034722 k( 41) = ( 0.5724067 0.5724067 0.1656929), wk = 0.0034722 k( 42) = ( 0.5796474 0.5796474 0.1822621), wk = 0.0034722 k( 43) = ( 0.5868880 0.5868880 0.1988314), wk = 0.0034722 k( 44) = ( 0.5941287 0.5941287 0.2154007), wk = 0.0034722 k( 45) = ( 0.6013694 0.6013694 0.2319700), wk = 0.0034722 k( 46) = ( 0.6086101 0.6086101 0.2485393), wk = 0.0034722 k( 47) = ( 0.6158507 0.6158507 0.2651086), wk = 0.0034722 k( 48) = ( 0.6230914 0.6230914 0.2816778), wk = 0.0034722 k( 49) = ( 0.6303321 0.6303321 0.2982471), wk = 0.0034722 k( 50) = ( 0.6375728 0.6375728 0.3148164), wk = 0.0034722 k( 51) = ( 0.6448134 0.6448134 0.3313857), wk = 0.0034722 k( 52) = ( 0.6520541 0.6520541 0.3479550), wk = 0.0034722 k( 53) = ( 0.6592948 0.6592948 0.3645243), wk = 0.0034722 k( 54) = ( 0.6665354 0.6665354 0.3810936), wk = 0.0034722 k( 55) = ( 0.6665354 0.6665354 0.3810936), wk = 0.0034722 k( 56) = ( 0.6554331 0.6554331 0.3890207), wk = 0.0034722 k( 57) = ( 0.6443307 0.6443307 0.3969477), wk = 0.0034722 k( 58) = ( 0.6332283 0.6332283 0.4048748), wk = 0.0034722 k( 59) = ( 0.6221260 0.6221260 0.4128019), wk = 0.0034722 k( 60) = ( 0.6110236 0.6110236 0.4207290), wk = 0.0034722 k( 61) = ( 0.5999213 0.5999213 0.4286561), wk = 0.0034722 k( 62) = ( 0.5888189 0.5888189 0.4365832), wk = 0.0034722 k( 63) = ( 0.5777165 0.5777165 0.4445103), wk = 0.0034722 k( 64) = ( 0.5666142 0.5666142 0.4524374), wk = 0.0034722 k( 65) = ( 0.5555118 0.5555118 0.4603645), wk = 0.0034722 k( 66) = ( 0.5444094 0.5444094 0.4682916), wk = 0.0034722 k( 67) = ( 0.5333071 0.5333071 0.4762187), wk = 0.0034722 k( 68) = ( 0.5222047 0.5222047 0.4841458), wk = 0.0034722 k( 69) = ( 0.5111024 0.5111024 0.4920729), wk = 0.0034722 k( 70) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 71) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 72) = ( 0.5083526 0.4916474 0.5000000), wk = 0.0034722 k( 73) = ( 0.5167052 0.4832948 0.5000000), wk = 0.0034722 k( 74) = ( 0.5250577 0.4749423 0.5000000), wk = 0.0034722 k( 75) = ( 0.5334103 0.4665897 0.5000000), wk = 0.0034722 k( 76) = ( 0.5417629 0.4582371 0.5000000), wk = 0.0034722 k( 77) = ( 0.5501155 0.4498845 0.5000000), wk = 0.0034722 k( 78) = ( 0.5584680 0.4415320 0.5000000), wk = 0.0034722 k( 79) = ( 0.5668206 0.4331794 0.5000000), wk = 0.0034722 k( 80) = ( 0.5751732 0.4248268 0.5000000), wk = 0.0034722 k( 81) = ( 0.5835258 0.4164742 0.5000000), wk = 0.0034722 k( 82) = ( 0.5918784 0.4081216 0.5000000), wk = 0.0034722 k( 83) = ( 0.6002309 0.3997691 0.5000000), wk = 0.0034722 k( 84) = ( 0.6085835 0.3914165 0.5000000), wk = 0.0034722 k( 85) = ( 0.6169361 0.3830639 0.5000000), wk = 0.0034722 k( 86) = ( 0.6252887 0.3747113 0.5000000), wk = 0.0034722 k( 87) = ( 0.6336413 0.3663588 0.5000000), wk = 0.0034722 k( 88) = ( 0.6419938 0.3580062 0.5000000), wk = 0.0034722 k( 89) = ( 0.6503464 0.3496536 0.5000000), wk = 0.0034722 k( 90) = ( 0.6586990 0.3413010 0.5000000), wk = 0.0034722 k( 91) = ( 0.6670516 0.3329484 0.5000000), wk = 0.0034722 k( 92) = ( 0.6754041 0.3245959 0.5000000), wk = 0.0034722 k( 93) = ( 0.6837567 0.3162433 0.5000000), wk = 0.0034722 k( 94) = ( 0.6921093 0.3078907 0.5000000), wk = 0.0034722 k( 95) = ( 0.7004619 0.2995381 0.5000000), wk = 0.0034722 k( 96) = ( 0.7088144 0.2911856 0.5000000), wk = 0.0034722 k( 97) = ( 0.7171670 0.2828330 0.5000000), wk = 0.0034722 k( 98) = ( 0.7255196 0.2744804 0.5000000), wk = 0.0034722 k( 99) = ( 0.7338722 0.2661278 0.5000000), wk = 0.0034722 k( 100) = ( 0.7422248 0.2577752 0.5000000), wk = 0.0034722 k( 101) = ( 0.2577752 -0.2577752 0.5000000), wk = 0.0034722 k( 102) = ( 0.2491827 -0.2491827 0.5000000), wk = 0.0034722 k( 103) = ( 0.2405902 -0.2405902 0.5000000), wk = 0.0034722 k( 104) = ( 0.2319977 -0.2319977 0.5000000), wk = 0.0034722 k( 105) = ( 0.2234052 -0.2234052 0.5000000), wk = 0.0034722 k( 106) = ( 0.2148127 -0.2148127 0.5000000), wk = 0.0034722 k( 107) = ( 0.2062202 -0.2062202 0.5000000), wk = 0.0034722 k( 108) = ( 0.1976277 -0.1976277 0.5000000), wk = 0.0034722 k( 109) = ( 0.1890352 -0.1890352 0.5000000), wk = 0.0034722 k( 110) = ( 0.1804427 -0.1804427 0.5000000), wk = 0.0034722 k( 111) = ( 0.1718502 -0.1718502 0.5000000), wk = 0.0034722 k( 112) = ( 0.1632577 -0.1632576 0.5000000), wk = 0.0034722 k( 113) = ( 0.1546651 -0.1546651 0.5000000), wk = 0.0034722 k( 114) = ( 0.1460726 -0.1460726 0.5000000), wk = 0.0034722 k( 115) = ( 0.1374801 -0.1374801 0.5000000), wk = 0.0034722 k( 116) = ( 0.1288876 -0.1288876 0.5000000), wk = 0.0034722 k( 117) = ( 0.1202951 -0.1202951 0.5000000), wk = 0.0034722 k( 118) = ( 0.1117026 -0.1117026 0.5000000), wk = 0.0034722 k( 119) = ( 0.1031101 -0.1031101 0.5000000), wk = 0.0034722 k( 120) = ( 0.0945176 -0.0945176 0.5000000), wk = 0.0034722 k( 121) = ( 0.0859251 -0.0859251 0.5000000), wk = 0.0034722 k( 122) = ( 0.0773326 -0.0773326 0.5000000), wk = 0.0034722 k( 123) = ( 0.0687401 -0.0687401 0.5000000), wk = 0.0034722 k( 124) = ( 0.0601476 -0.0601476 0.5000000), wk = 0.0034722 k( 125) = ( 0.0515550 -0.0515550 0.5000000), wk = 0.0034722 k( 126) = ( 0.0429625 -0.0429625 0.5000000), wk = 0.0034722 k( 127) = ( 0.0343700 -0.0343700 0.5000000), wk = 0.0034722 k( 128) = ( 0.0257775 -0.0257775 0.5000000), wk = 0.0034722 k( 129) = ( 0.0171850 -0.0171850 0.5000000), wk = 0.0034722 k( 130) = ( 0.0085925 -0.0085925 0.5000000), wk = 0.0034722 k( 131) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 132) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 133) = ( 0.0185258 0.0185258 0.5066059), wk = 0.0034722 k( 134) = ( 0.0370516 0.0370516 0.5132118), wk = 0.0034722 k( 135) = ( 0.0555774 0.0555774 0.5198177), wk = 0.0034722 k( 136) = ( 0.0741032 0.0741032 0.5264237), wk = 0.0034722 k( 137) = ( 0.0926291 0.0926291 0.5330296), wk = 0.0034722 k( 138) = ( 0.1111548 0.1111548 0.5396355), wk = 0.0034722 k( 139) = ( 0.1296807 0.1296807 0.5462414), wk = 0.0034722 k( 140) = ( 0.1482065 0.1482065 0.5528473), wk = 0.0034722 k( 141) = ( 0.1667323 0.1667323 0.5594532), wk = 0.0034722 k( 142) = ( 0.1852581 0.1852581 0.5660591), wk = 0.0034722 k( 143) = ( 0.2037839 0.2037839 0.5726650), wk = 0.0034722 k( 144) = ( 0.2223097 0.2223097 0.5792710), wk = 0.0034722 k( 145) = ( 0.2408355 0.2408355 0.5858769), wk = 0.0034722 k( 146) = ( 0.2593613 0.2593613 0.5924828), wk = 0.0034722 k( 147) = ( 0.2778871 0.2778871 0.5990887), wk = 0.0034722 k( 148) = ( 0.2964130 0.2964130 0.6056946), wk = 0.0034722 k( 149) = ( 0.3149388 0.3149388 0.6123005), wk = 0.0034722 k( 150) = ( 0.3334646 0.3334646 0.6189064), wk = 0.0034722 k( 151) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034722 k( 152) = ( 0.5085590 0.4914410 -0.0000000), wk = 0.0034722 k( 153) = ( 0.5171180 0.4828820 -0.0000000), wk = 0.0034722 k( 154) = ( 0.5256770 0.4743230 -0.0000000), wk = 0.0034722 k( 155) = ( 0.5342360 0.4657640 -0.0000000), wk = 0.0034722 k( 156) = ( 0.5427950 0.4572050 -0.0000000), wk = 0.0034722 k( 157) = ( 0.5513540 0.4486460 -0.0000000), wk = 0.0034722 k( 158) = ( 0.5599130 0.4400870 0.0000000), wk = 0.0034722 k( 159) = ( 0.5684720 0.4315280 0.0000000), wk = 0.0034722 k( 160) = ( 0.5770310 0.4229690 -0.0000000), wk = 0.0034722 k( 161) = ( 0.5855900 0.4144100 0.0000000), wk = 0.0034722 k( 162) = ( 0.5941490 0.4058510 0.0000000), wk = 0.0034722 k( 163) = ( 0.6027080 0.3972920 0.0000000), wk = 0.0034722 k( 164) = ( 0.6112671 0.3887330 0.0000000), wk = 0.0034722 k( 165) = ( 0.6198261 0.3801740 -0.0000000), wk = 0.0034722 k( 166) = ( 0.6283851 0.3716149 -0.0000000), wk = 0.0034722 k( 167) = ( 0.6369441 0.3630559 0.0000000), wk = 0.0034722 k( 168) = ( 0.6455031 0.3544969 0.0000000), wk = 0.0034722 k( 169) = ( 0.6540621 0.3459379 0.0000000), wk = 0.0034722 k( 170) = ( 0.6626211 0.3373789 0.0000000), wk = 0.0034722 k( 171) = ( 0.6711801 0.3288199 -0.0000000), wk = 0.0034722 k( 172) = ( 0.6797391 0.3202609 -0.0000000), wk = 0.0034722 k( 173) = ( 0.6882981 0.3117019 0.0000000), wk = 0.0034722 k( 174) = ( 0.3117019 -0.3117019 0.0000000), wk = 0.0034722 k( 175) = ( 0.3032775 -0.3032775 0.0000000), wk = 0.0034722 k( 176) = ( 0.2948532 -0.2948532 -0.0000000), wk = 0.0034722 k( 177) = ( 0.2864288 -0.2864288 -0.0000000), wk = 0.0034722 k( 178) = ( 0.2780044 -0.2780044 0.0000000), wk = 0.0034722 k( 179) = ( 0.2695800 -0.2695800 -0.0000000), wk = 0.0034722 k( 180) = ( 0.2611557 -0.2611557 0.0000000), wk = 0.0034722 k( 181) = ( 0.2527313 -0.2527313 -0.0000000), wk = 0.0034722 k( 182) = ( 0.2443069 -0.2443069 -0.0000000), wk = 0.0034722 k( 183) = ( 0.2358825 -0.2358825 0.0000000), wk = 0.0034722 k( 184) = ( 0.2274582 -0.2274582 -0.0000000), wk = 0.0034722 k( 185) = ( 0.2190338 -0.2190338 -0.0000000), wk = 0.0034722 k( 186) = ( 0.2106094 -0.2106094 0.0000000), wk = 0.0034722 k( 187) = ( 0.2021850 -0.2021850 0.0000000), wk = 0.0034722 k( 188) = ( 0.1937607 -0.1937606 0.0000000), wk = 0.0034722 k( 189) = ( 0.1853363 -0.1853363 0.0000000), wk = 0.0034722 k( 190) = ( 0.1769119 -0.1769119 -0.0000000), wk = 0.0034722 k( 191) = ( 0.1684875 -0.1684875 -0.0000000), wk = 0.0034722 k( 192) = ( 0.1600631 -0.1600631 0.0000000), wk = 0.0034722 k( 193) = ( 0.1516388 -0.1516388 0.0000000), wk = 0.0034722 k( 194) = ( 0.1432144 -0.1432144 -0.0000000), wk = 0.0034722 k( 195) = ( 0.1347900 -0.1347900 -0.0000000), wk = 0.0034722 k( 196) = ( 0.1263656 -0.1263656 0.0000000), wk = 0.0034722 k( 197) = ( 0.1179413 -0.1179413 -0.0000000), wk = 0.0034722 k( 198) = ( 0.1095169 -0.1095169 -0.0000000), wk = 0.0034722 k( 199) = ( 0.1010925 -0.1010925 -0.0000000), wk = 0.0034722 k( 200) = ( 0.0926681 -0.0926681 0.0000000), wk = 0.0034722 k( 201) = ( 0.0842438 -0.0842438 -0.0000000), wk = 0.0034722 k( 202) = ( 0.0758194 -0.0758194 0.0000000), wk = 0.0034722 k( 203) = ( 0.0673950 -0.0673950 -0.0000000), wk = 0.0034722 k( 204) = ( 0.0589706 -0.0589706 -0.0000000), wk = 0.0034722 k( 205) = ( 0.0505463 -0.0505463 0.0000000), wk = 0.0034722 k( 206) = ( 0.0421219 -0.0421219 -0.0000000), wk = 0.0034722 k( 207) = ( 0.0336975 -0.0336975 -0.0000000), wk = 0.0034722 k( 208) = ( 0.0252731 -0.0252731 0.0000000), wk = 0.0034722 k( 209) = ( 0.0168487 -0.0168487 -0.0000000), wk = 0.0034722 k( 210) = ( 0.0084244 -0.0084244 -0.0000000), wk = 0.0034722 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 212) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 213) = ( 0.0151515 0.0000000 0.0000000), wk = 0.0034722 k( 214) = ( 0.0303030 0.0000000 0.0000000), wk = 0.0034722 k( 215) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0034722 k( 216) = ( 0.0606061 0.0000000 0.0000000), wk = 0.0034722 k( 217) = ( 0.0757576 0.0000000 0.0000000), wk = 0.0034722 k( 218) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0034722 k( 219) = ( 0.1060606 0.0000000 -0.0000000), wk = 0.0034722 k( 220) = ( 0.1212121 0.0000000 0.0000000), wk = 0.0034722 k( 221) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0034722 k( 222) = ( 0.1515151 0.0000000 0.0000000), wk = 0.0034722 k( 223) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0034722 k( 224) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0034722 k( 225) = ( 0.1969697 0.0000000 0.0000000), wk = 0.0034722 k( 226) = ( 0.2121212 0.0000000 0.0000000), wk = 0.0034722 k( 227) = ( 0.2272727 0.0000000 -0.0000000), wk = 0.0034722 k( 228) = ( 0.2424242 0.0000000 0.0000000), wk = 0.0034722 k( 229) = ( 0.2575758 0.0000000 -0.0000000), wk = 0.0034722 k( 230) = ( 0.2727273 0.0000000 -0.0000000), wk = 0.0034722 k( 231) = ( 0.2878788 0.0000000 0.0000000), wk = 0.0034722 k( 232) = ( 0.3030303 0.0000000 0.0000000), wk = 0.0034722 k( 233) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0034722 k( 234) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0034722 k( 235) = ( 0.3484849 0.0000000 0.0000000), wk = 0.0034722 k( 236) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0034722 k( 237) = ( 0.3787879 0.0000000 0.0000000), wk = 0.0034722 k( 238) = ( 0.3939394 0.0000000 0.0000000), wk = 0.0034722 k( 239) = ( 0.4090909 -0.0000000 0.0000000), wk = 0.0034722 k( 240) = ( 0.4242424 0.0000000 0.0000000), wk = 0.0034722 k( 241) = ( 0.4393939 0.0000000 -0.0000000), wk = 0.0034722 k( 242) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0034722 k( 243) = ( 0.4696970 0.0000000 0.0000000), wk = 0.0034722 k( 244) = ( 0.4848485 0.0000000 0.0000000), wk = 0.0034722 k( 245) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034722 k( 246) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034722 k( 247) = ( 0.4880952 0.0000000 0.4880952), wk = 0.0034722 k( 248) = ( 0.4761905 0.0000000 0.4761905), wk = 0.0034722 k( 249) = ( 0.4642857 0.0000000 0.4642857), wk = 0.0034722 k( 250) = ( 0.4523810 0.0000000 0.4523810), wk = 0.0034722 k( 251) = ( 0.4404762 0.0000000 0.4404762), wk = 0.0034722 k( 252) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0034722 k( 253) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0034722 k( 254) = ( 0.4047619 0.0000000 0.4047619), wk = 0.0034722 k( 255) = ( 0.3928571 0.0000000 0.3928571), wk = 0.0034722 k( 256) = ( 0.3809524 0.0000000 0.3809524), wk = 0.0034722 k( 257) = ( 0.3690476 -0.0000000 0.3690476), wk = 0.0034722 k( 258) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0034722 k( 259) = ( 0.3452381 0.0000000 0.3452381), wk = 0.0034722 k( 260) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0034722 k( 261) = ( 0.3214286 0.0000000 0.3214286), wk = 0.0034722 k( 262) = ( 0.3095238 0.0000000 0.3095238), wk = 0.0034722 k( 263) = ( 0.2976190 0.0000000 0.2976190), wk = 0.0034722 k( 264) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0034722 k( 265) = ( 0.2738095 0.0000000 0.2738095), wk = 0.0034722 k( 266) = ( 0.2619048 0.0000000 0.2619048), wk = 0.0034722 k( 267) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0034722 k( 268) = ( 0.2380952 0.0000000 0.2380952), wk = 0.0034722 k( 269) = ( 0.2261905 0.0000000 0.2261905), wk = 0.0034722 k( 270) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0034722 k( 271) = ( 0.2023810 0.0000000 0.2023810), wk = 0.0034722 k( 272) = ( 0.1904762 0.0000000 0.1904762), wk = 0.0034722 k( 273) = ( 0.1785714 0.0000000 0.1785714), wk = 0.0034722 k( 274) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0034722 k( 275) = ( 0.1547619 0.0000000 0.1547619), wk = 0.0034722 k( 276) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0034722 k( 277) = ( 0.1309524 0.0000000 0.1309524), wk = 0.0034722 k( 278) = ( 0.1190476 0.0000000 0.1190476), wk = 0.0034722 k( 279) = ( 0.1071429 0.0000000 0.1071429), wk = 0.0034722 k( 280) = ( 0.0952381 0.0000000 0.0952381), wk = 0.0034722 k( 281) = ( 0.0833333 0.0000000 0.0833333), wk = 0.0034722 k( 282) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0034722 k( 283) = ( 0.0595238 0.0000000 0.0595238), wk = 0.0034722 k( 284) = ( 0.0476191 0.0000000 0.0476191), wk = 0.0034722 k( 285) = ( 0.0357143 0.0000000 0.0357143), wk = 0.0034722 k( 286) = ( 0.0238095 0.0000000 0.0238095), wk = 0.0034722 k( 287) = ( 0.0119048 0.0000000 0.0119048), wk = 0.0034722 k( 288) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 Dense grid: 149551 G-vectors FFT dimensions: ( 80, 80, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.59 Mb ( 808, 48) NL pseudopotentials 1.18 Mb ( 404, 192) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 3116) G-vector shells 0.02 Mb ( 2992) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.37 Mb ( 808, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.28 Mb ( 192, 2, 48) The potential is recalculated from file : ./LiAsS2.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 43.0 secs Computing kpt #: 2 total cpu time spent up to now is 46.9 secs Computing kpt #: 3 total cpu time spent up to now is 50.9 secs Computing kpt #: 4 total cpu time spent up to now is 55.2 secs Computing kpt #: 5 total cpu time spent up to now is 59.4 secs Computing kpt #: 6 total cpu time spent up to now is 64.2 secs Computing kpt #: 7 total cpu time spent up to now is 69.0 secs Computing kpt #: 8 total cpu time spent up to now is 73.1 secs Computing kpt #: 9 total cpu time spent up to now is 77.5 secs Computing kpt #: 10 total cpu time spent up to now is 81.5 secs Computing kpt #: 11 total cpu time spent up to now is 85.5 secs Computing kpt #: 12 total cpu time spent up to now is 89.3 secs Computing kpt #: 13 total cpu time spent up to now is 93.2 secs Computing kpt #: 14 total cpu time spent up to now is 97.3 secs Computing kpt #: 15 total cpu time spent up to now is 101.3 secs Computing kpt #: 16 total cpu time spent up to now is 105.2 secs Computing kpt #: 17 total cpu time spent up to now is 109.5 secs Computing kpt #: 18 total cpu time spent up to now is 113.6 secs Computing kpt #: 19 total cpu time spent up to now is 117.9 secs Computing kpt #: 20 total cpu time spent up to now is 122.2 secs Computing kpt #: 21 total cpu time spent up to now is 126.7 secs Computing kpt #: 22 total cpu time spent up to now is 131.1 secs Computing kpt #: 23 total cpu time spent up to now is 135.5 secs Computing kpt #: 24 total cpu time spent up to now is 139.8 secs Computing kpt #: 25 total cpu time spent up to now is 144.1 secs Computing kpt #: 26 total cpu time spent up to now is 148.3 secs Computing kpt #: 27 total cpu time spent up to now is 152.4 secs Computing kpt #: 28 total cpu time spent up to now is 156.7 secs Computing kpt #: 29 total cpu time spent up to now is 160.8 secs Computing kpt #: 30 total cpu time spent up to now is 164.9 secs Computing kpt #: 31 total cpu time spent up to now is 169.0 secs Computing kpt #: 32 total cpu time spent up to now is 173.2 secs Computing kpt #: 33 total cpu time spent up to now is 177.3 secs Computing kpt #: 34 total cpu time spent up to now is 181.5 secs Computing kpt #: 35 total cpu time spent up to now is 185.8 secs Computing kpt #: 36 total cpu time spent up to now is 190.0 secs Computing kpt #: 37 total cpu time spent up to now is 193.9 secs Computing kpt #: 38 total cpu time spent up to now is 198.2 secs Computing kpt #: 39 total cpu time spent up to now is 202.3 secs Computing kpt #: 40 total cpu time spent up to now is 206.2 secs Computing kpt #: 41 total cpu time spent up to now is 210.4 secs Computing kpt #: 42 total cpu time spent up to now is 214.4 secs Computing kpt #: 43 total cpu time spent up to now is 218.2 secs Computing kpt #: 44 total cpu time spent up to now is 222.2 secs Computing kpt #: 45 total cpu time spent up to now is 226.3 secs Computing kpt #: 46 total cpu time spent up to now is 230.4 secs Computing kpt #: 47 total cpu time spent up to now is 234.5 secs Computing kpt #: 48 total cpu time spent up to now is 238.6 secs Computing kpt #: 49 total cpu time spent up to now is 242.6 secs Computing kpt #: 50 total cpu time spent up to now is 246.4 secs Computing kpt #: 51 total cpu time spent up to now is 250.2 secs Computing kpt #: 52 total cpu time spent up to now is 254.0 secs Computing kpt #: 53 total cpu time spent up to now is 258.1 secs Computing kpt #: 54 total cpu time spent up to now is 262.2 secs Computing kpt #: 55 total cpu time spent up to now is 266.6 secs Computing kpt #: 56 total cpu time spent up to now is 270.8 secs Computing kpt #: 57 total cpu time spent up to now is 275.1 secs Computing kpt #: 58 total cpu time spent up to now is 279.4 secs Computing kpt #: 59 total cpu time spent up to now is 283.6 secs Computing kpt #: 60 total cpu time spent up to now is 287.8 secs Computing kpt #: 61 total cpu time spent up to now is 292.0 secs Computing kpt #: 62 total cpu time spent up to now is 296.3 secs Computing kpt #: 63 total cpu time spent up to now is 300.2 secs Computing kpt #: 64 total cpu time spent up to now is 304.3 secs Computing kpt #: 65 total cpu time spent up to now is 308.1 secs Computing kpt #: 66 total cpu time spent up to now is 311.8 secs Computing kpt #: 67 total cpu time spent up to now is 318.1 secs Computing kpt #: 68 total cpu time spent up to now is 322.3 secs Computing kpt #: 69 total cpu time spent up to now is 326.4 secs Computing kpt #: 70 total cpu time spent up to now is 330.2 secs Computing kpt #: 71 total cpu time spent up to now is 334.0 secs Computing kpt #: 72 total cpu time spent up to now is 337.8 secs Computing kpt #: 73 total cpu time spent up to now is 341.7 secs Computing kpt #: 74 total cpu time spent up to now is 345.5 secs Computing kpt #: 75 total cpu time spent up to now is 349.4 secs Computing kpt #: 76 total cpu time spent up to now is 353.4 secs Computing kpt #: 77 total cpu time spent up to now is 357.3 secs Computing kpt #: 78 total cpu time spent up to now is 361.2 secs Computing kpt #: 79 total cpu time spent up to now is 365.2 secs Computing kpt #: 80 total cpu time spent up to now is 369.1 secs Computing kpt #: 81 total cpu time spent up to now is 373.0 secs Computing kpt #: 82 total cpu time spent up to now is 377.0 secs Computing kpt #: 83 total cpu time spent up to now is 381.1 secs Computing kpt #: 84 total cpu time spent up to now is 384.9 secs Computing kpt #: 85 total cpu time spent up to now is 388.8 secs Computing kpt #: 86 total cpu time spent up to now is 392.5 secs Computing kpt #: 87 total cpu time spent up to now is 396.2 secs Computing kpt #: 88 total cpu time spent up to now is 399.9 secs Computing kpt #: 89 total cpu time spent up to now is 403.3 secs Computing kpt #: 90 total cpu time spent up to now is 406.6 secs Computing kpt #: 91 total cpu time spent up to now is 410.0 secs Computing kpt #: 92 total cpu time spent up to now is 413.4 secs Computing kpt #: 93 total cpu time spent up to now is 416.6 secs Computing kpt #: 94 total cpu time spent up to now is 420.0 secs Computing kpt #: 95 total cpu time spent up to now is 423.3 secs Computing kpt #: 96 total cpu time spent up to now is 426.6 secs Computing kpt #: 97 total cpu time spent up to now is 430.0 secs Computing kpt #: 98 total cpu time spent up to now is 433.4 secs Computing kpt #: 99 total cpu time spent up to now is 436.7 secs Computing kpt #: 100 total cpu time spent up to now is 439.9 secs Computing kpt #: 101 total cpu time spent up to now is 443.3 secs Computing kpt #: 102 total cpu time spent up to now is 446.6 secs Computing kpt #: 103 total cpu time spent up to now is 449.9 secs Computing kpt #: 104 total cpu time spent up to now is 453.2 secs Computing kpt #: 105 total cpu time spent up to now is 456.5 secs Computing kpt #: 106 total cpu time spent up to now is 459.9 secs Computing kpt #: 107 total cpu time spent up to now is 463.2 secs Computing kpt #: 108 total cpu time spent up to now is 466.5 secs Computing kpt #: 109 total cpu time spent up to now is 469.8 secs Computing kpt #: 110 total cpu time spent up to now is 473.4 secs Computing kpt #: 111 total cpu time spent up to now is 476.8 secs Computing kpt #: 112 total cpu time spent up to now is 480.2 secs Computing kpt #: 113 total cpu time spent up to now is 484.0 secs Computing kpt #: 114 total cpu time spent up to now is 487.3 secs Computing kpt #: 115 total cpu time spent up to now is 491.0 secs Computing kpt #: 116 total cpu time spent up to now is 494.9 secs Computing kpt #: 117 total cpu time spent up to now is 498.7 secs Computing kpt #: 118 total cpu time spent up to now is 502.7 secs Computing kpt #: 119 total cpu time spent up to now is 506.8 secs Computing kpt #: 120 total cpu time spent up to now is 510.9 secs Computing kpt #: 121 total cpu time spent up to now is 514.8 secs Computing kpt #: 122 total cpu time spent up to now is 519.1 secs Computing kpt #: 123 total cpu time spent up to now is 523.1 secs Computing kpt #: 124 total cpu time spent up to now is 527.2 secs Computing kpt #: 125 total cpu time spent up to now is 531.4 secs Computing kpt #: 126 total cpu time spent up to now is 535.4 secs Computing kpt #: 127 total cpu time spent up to now is 539.5 secs Computing kpt #: 128 total cpu time spent up to now is 543.5 secs Computing kpt #: 129 total cpu time spent up to now is 547.5 secs Computing kpt #: 130 total cpu time spent up to now is 551.5 secs Computing kpt #: 131 total cpu time spent up to now is 555.7 secs Computing kpt #: 132 total cpu time spent up to now is 559.6 secs Computing kpt #: 133 total cpu time spent up to now is 563.7 secs Computing kpt #: 134 total cpu time spent up to now is 567.6 secs Computing kpt #: 135 total cpu time spent up to now is 571.6 secs Computing kpt #: 136 total cpu time spent up to now is 575.6 secs Computing kpt #: 137 total cpu time spent up to now is 579.5 secs Computing kpt #: 138 total cpu time spent up to now is 583.5 secs Computing kpt #: 139 total cpu time spent up to now is 587.8 secs Computing kpt #: 140 total cpu time spent up to now is 592.0 secs Computing kpt #: 141 total cpu time spent up to now is 596.4 secs Computing kpt #: 142 total cpu time spent up to now is 601.0 secs Computing kpt #: 143 total cpu time spent up to now is 605.7 secs Computing kpt #: 144 total cpu time spent up to now is 610.3 secs Computing kpt #: 145 total cpu time spent up to now is 616.7 secs Computing kpt #: 146 total cpu time spent up to now is 622.6 secs Computing kpt #: 147 total cpu time spent up to now is 626.9 secs Computing kpt #: 148 total cpu time spent up to now is 631.1 secs Computing kpt #: 149 total cpu time spent up to now is 635.4 secs Computing kpt #: 150 total cpu time spent up to now is 639.6 secs Computing kpt #: 151 total cpu time spent up to now is 643.7 secs Computing kpt #: 152 total cpu time spent up to now is 647.7 secs Computing kpt #: 153 total cpu time spent up to now is 651.9 secs Computing kpt #: 154 total cpu time spent up to now is 656.2 secs Computing kpt #: 155 total cpu time spent up to now is 660.5 secs Computing kpt #: 156 total cpu time spent up to now is 664.5 secs Computing kpt #: 157 total cpu time spent up to now is 668.6 secs Computing kpt #: 158 total cpu time spent up to now is 673.1 secs Computing kpt #: 159 total cpu time spent up to now is 677.5 secs Computing kpt #: 160 total cpu time spent up to now is 681.7 secs Computing kpt #: 161 total cpu time spent up to now is 685.9 secs Computing kpt #: 162 total cpu time spent up to now is 690.2 secs Computing kpt #: 163 total cpu time spent up to now is 694.5 secs Computing kpt #: 164 total cpu time spent up to now is 698.7 secs Computing kpt #: 165 total cpu time spent up to now is 703.0 secs Computing kpt #: 166 total cpu time spent up to now is 707.2 secs Computing kpt #: 167 total cpu time spent up to now is 711.2 secs Computing kpt #: 168 total cpu time spent up to now is 715.3 secs Computing kpt #: 169 total cpu time spent up to now is 719.5 secs Computing kpt #: 170 total cpu time spent up to now is 723.5 secs Computing kpt #: 171 total cpu time spent up to now is 727.6 secs Computing kpt #: 172 total cpu time spent up to now is 731.9 secs Computing kpt #: 173 total cpu time spent up to now is 736.0 secs Computing kpt #: 174 total cpu time spent up to now is 740.0 secs Computing kpt #: 175 total cpu time spent up to now is 744.1 secs Computing kpt #: 176 total cpu time spent up to now is 748.2 secs Computing kpt #: 177 total cpu time spent up to now is 752.2 secs Computing kpt #: 178 total cpu time spent up to now is 756.3 secs Computing kpt #: 179 total cpu time spent up to now is 760.2 secs Computing kpt #: 180 total cpu time spent up to now is 764.0 secs Computing kpt #: 181 total cpu time spent up to now is 768.1 secs Computing kpt #: 182 total cpu time spent up to now is 772.0 secs Computing kpt #: 183 total cpu time spent up to now is 776.1 secs Computing kpt #: 184 total cpu time spent up to now is 779.9 secs Computing kpt #: 185 total cpu time spent up to now is 783.7 secs Computing kpt #: 186 total cpu time spent up to now is 787.6 secs Computing kpt #: 187 total cpu time spent up to now is 791.5 secs Computing kpt #: 188 total cpu time spent up to now is 795.4 secs Computing kpt #: 189 total cpu time spent up to now is 799.2 secs Computing kpt #: 190 total cpu time spent up to now is 803.1 secs Computing kpt #: 191 total cpu time spent up to now is 806.9 secs Computing kpt #: 192 total cpu time spent up to now is 810.8 secs Computing kpt #: 193 total cpu time spent up to now is 814.7 secs Computing kpt #: 194 total cpu time spent up to now is 818.6 secs Computing kpt #: 195 total cpu time spent up to now is 822.6 secs Computing kpt #: 196 total cpu time spent up to now is 826.5 secs Computing kpt #: 197 total cpu time spent up to now is 830.5 secs Computing kpt #: 198 total cpu time spent up to now is 834.6 secs Computing kpt #: 199 total cpu time spent up to now is 838.7 secs Computing kpt #: 200 total cpu time spent up to now is 842.9 secs Computing kpt #: 201 total cpu time spent up to now is 847.1 secs Computing kpt #: 202 total cpu time spent up to now is 851.3 secs Computing kpt #: 203 total cpu time spent up to now is 855.6 secs Computing kpt #: 204 total cpu time spent up to now is 859.8 secs Computing kpt #: 205 total cpu time spent up to now is 864.1 secs Computing kpt #: 206 total cpu time spent up to now is 868.4 secs Computing kpt #: 207 total cpu time spent up to now is 872.7 secs Computing kpt #: 208 total cpu time spent up to now is 876.9 secs Computing kpt #: 209 total cpu time spent up to now is 881.1 secs Computing kpt #: 210 total cpu time spent up to now is 885.0 secs Computing kpt #: 211 total cpu time spent up to now is 889.0 secs Computing kpt #: 212 total cpu time spent up to now is 892.9 secs Computing kpt #: 213 total cpu time spent up to now is 897.0 secs Computing kpt #: 214 total cpu time spent up to now is 901.0 secs Computing kpt #: 215 total cpu time spent up to now is 905.1 secs Computing kpt #: 216 total cpu time spent up to now is 909.8 secs Computing kpt #: 217 total cpu time spent up to now is 916.8 secs Computing kpt #: 218 total cpu time spent up to now is 921.8 secs Computing kpt #: 219 total cpu time spent up to now is 926.1 secs Computing kpt #: 220 total cpu time spent up to now is 930.4 secs Computing kpt #: 221 total cpu time spent up to now is 934.6 secs Computing kpt #: 222 total cpu time spent up to now is 938.8 secs Computing kpt #: 223 total cpu time spent up to now is 943.1 secs Computing kpt #: 224 total cpu time spent up to now is 947.1 secs Computing kpt #: 225 total cpu time spent up to now is 951.2 secs Computing kpt #: 226 total cpu time spent up to now is 955.5 secs Computing kpt #: 227 total cpu time spent up to now is 959.7 secs Computing kpt #: 228 total cpu time spent up to now is 963.8 secs Computing kpt #: 229 total cpu time spent up to now is 968.0 secs Computing kpt #: 230 total cpu time spent up to now is 972.2 secs Computing kpt #: 231 total cpu time spent up to now is 976.0 secs Computing kpt #: 232 total cpu time spent up to now is 980.0 secs Computing kpt #: 233 total cpu time spent up to now is 984.0 secs Computing kpt #: 234 total cpu time spent up to now is 987.9 secs Computing kpt #: 235 total cpu time spent up to now is 991.8 secs Computing kpt #: 236 total cpu time spent up to now is 995.8 secs Computing kpt #: 237 total cpu time spent up to now is 999.9 secs Computing kpt #: 238 total cpu time spent up to now is 1003.8 secs Computing kpt #: 239 total cpu time spent up to now is 1007.8 secs Computing kpt #: 240 total cpu time spent up to now is 1011.8 secs Computing kpt #: 241 total cpu time spent up to now is 1015.7 secs Computing kpt #: 242 total cpu time spent up to now is 1019.6 secs Computing kpt #: 243 total cpu time spent up to now is 1023.5 secs Computing kpt #: 244 total cpu time spent up to now is 1027.6 secs Computing kpt #: 245 total cpu time spent up to now is 1031.5 secs Computing kpt #: 246 total cpu time spent up to now is 1035.5 secs Computing kpt #: 247 total cpu time spent up to now is 1039.5 secs Computing kpt #: 248 total cpu time spent up to now is 1043.6 secs Computing kpt #: 249 total cpu time spent up to now is 1047.7 secs Computing kpt #: 250 total cpu time spent up to now is 1051.8 secs Computing kpt #: 251 total cpu time spent up to now is 1055.9 secs Computing kpt #: 252 total cpu time spent up to now is 1060.0 secs Computing kpt #: 253 total cpu time spent up to now is 1064.0 secs Computing kpt #: 254 total cpu time spent up to now is 1068.2 secs Computing kpt #: 255 total cpu time spent up to now is 1072.5 secs Computing kpt #: 256 total cpu time spent up to now is 1076.6 secs Computing kpt #: 257 total cpu time spent up to now is 1080.6 secs Computing kpt #: 258 total cpu time spent up to now is 1084.7 secs Computing kpt #: 259 total cpu time spent up to now is 1088.8 secs Computing kpt #: 260 total cpu time spent up to now is 1092.8 secs Computing kpt #: 261 total cpu time spent up to now is 1096.8 secs Computing kpt #: 262 total cpu time spent up to now is 1100.8 secs Computing kpt #: 263 total cpu time spent up to now is 1104.7 secs Computing kpt #: 264 total cpu time spent up to now is 1108.6 secs Computing kpt #: 265 total cpu time spent up to now is 1112.3 secs Computing kpt #: 266 total cpu time spent up to now is 1116.2 secs Computing kpt #: 267 total cpu time spent up to now is 1120.2 secs Computing kpt #: 268 total cpu time spent up to now is 1124.1 secs Computing kpt #: 269 total cpu time spent up to now is 1128.2 secs Computing kpt #: 270 total cpu time spent up to now is 1132.3 secs Computing kpt #: 271 total cpu time spent up to now is 1136.4 secs Computing kpt #: 272 total cpu time spent up to now is 1140.6 secs Computing kpt #: 273 total cpu time spent up to now is 1144.8 secs Computing kpt #: 274 total cpu time spent up to now is 1149.1 secs Computing kpt #: 275 total cpu time spent up to now is 1153.3 secs Computing kpt #: 276 total cpu time spent up to now is 1157.7 secs Computing kpt #: 277 total cpu time spent up to now is 1161.9 secs Computing kpt #: 278 total cpu time spent up to now is 1166.2 secs Computing kpt #: 279 total cpu time spent up to now is 1170.9 secs Computing kpt #: 280 total cpu time spent up to now is 1175.7 secs Computing kpt #: 281 total cpu time spent up to now is 1179.9 secs Computing kpt #: 282 total cpu time spent up to now is 1184.8 secs Computing kpt #: 283 total cpu time spent up to now is 1189.5 secs Computing kpt #: 284 total cpu time spent up to now is 1193.7 secs Computing kpt #: 285 total cpu time spent up to now is 1197.6 secs Computing kpt #: 286 total cpu time spent up to now is 1201.4 secs Computing kpt #: 287 total cpu time spent up to now is 1205.3 secs Computing kpt #: 288 total cpu time spent up to now is 1209.3 secs ethr = 2.50E-11, avg # of iterations = 30.7 total cpu time spent up to now is 1209.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 18763 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4570 -10.4570 -8.1332 -8.1332 -7.7204 -7.7204 -7.3136 -7.3136 -5.0669 -5.0669 -2.9679 -2.9679 -1.0050 -1.0050 -0.9573 -0.9573 -0.0174 -0.0174 1.0318 1.0318 1.1673 1.1673 1.8458 1.8458 2.1311 2.1311 2.5920 2.5920 3.1044 3.1044 3.3794 3.3794 4.0447 4.0447 4.3242 4.3242 7.1440 7.1440 7.6778 7.6778 8.6766 8.6766 9.4240 9.4240 k = 0.0172 0.0079-0.0081 ( 18753 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4567 -10.4567 -8.1337 -8.1337 -7.7204 -7.7204 -7.3147 -7.3145 -5.0655 -5.0653 -2.9682 -2.9680 -1.0058 -1.0049 -0.9578 -0.9576 -0.0152 -0.0137 1.0313 1.0326 1.1670 1.1672 1.8470 1.8474 2.1331 2.1333 2.5901 2.5911 3.1006 3.1010 3.3780 3.3786 4.0432 4.0444 4.3220 4.3221 7.1446 7.1453 7.6855 7.6866 8.6762 8.6775 9.4229 9.4255 k = 0.0345 0.0157-0.0163 ( 18742 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4558 -10.4557 -8.1351 -8.1351 -7.7204 -7.7204 -7.3177 -7.3175 -5.0611 -5.0607 -2.9687 -2.9683 -1.0075 -1.0058 -0.9590 -0.9588 -0.0073 -0.0042 1.0311 1.0337 1.1662 1.1665 1.8508 1.8516 2.1393 2.1398 2.5853 2.5874 3.0895 3.0903 3.3745 3.3757 4.0398 4.0423 4.3158 4.3161 7.1472 7.1484 7.7098 7.7119 8.6762 8.6789 9.4213 9.4266 k = 0.0517 0.0236-0.0244 ( 18749 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4542 -10.4541 -8.1376 -8.1375 -7.7205 -7.7204 -7.3227 -7.3223 -5.0537 -5.0531 -2.9695 -2.9689 -1.0099 -1.0075 -0.9610 -0.9608 0.0065 0.0111 1.0311 1.0351 1.1649 1.1654 1.8572 1.8584 2.1498 2.1504 2.5774 2.5806 3.0720 3.0733 3.3688 3.3707 4.0347 4.0384 4.3059 4.3062 7.1514 7.1531 7.7500 7.7530 8.6766 8.6807 9.4162 9.4241 k = 0.0690 0.0315-0.0326 ( 18758 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4520 -10.4519 -8.1409 -8.1408 -7.7205 -7.7204 -7.3295 -7.3290 -5.0434 -5.0426 -2.9705 -2.9698 -1.0131 -1.0100 -0.9637 -0.9636 0.0258 0.0319 1.0315 1.0369 1.1630 1.1637 1.8661 1.8678 2.1642 2.1651 2.5660 2.5702 3.0490 3.0508 3.3610 3.3635 4.0280 4.0329 4.2926 4.2930 7.1569 7.1591 7.8052 7.8088 8.6773 8.6829 9.4023 9.4118 k = 0.0862 0.0393-0.0407 ( 18752 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4492 -10.4491 -8.1451 -8.1449 -7.7205 -7.7204 -7.3381 -7.3376 -5.0304 -5.0294 -2.9718 -2.9709 -1.0171 -1.0135 -0.9669 -0.9667 0.0505 0.0582 1.0322 1.0390 1.1604 1.1614 1.8775 1.8795 2.1824 2.1834 2.5505 2.5557 3.0222 3.0246 3.3512 3.3542 4.0198 4.0258 4.2765 4.2769 7.1636 7.1660 7.8741 7.8780 8.6783 8.6853 9.3741 9.3831 k = 0.1034 0.0472-0.0489 ( 18755 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4459 -10.4457 -8.1500 -8.1499 -7.7205 -7.7205 -7.3485 -7.3478 -5.0147 -5.0135 -2.9734 -2.9723 -1.0218 -1.0178 -0.9706 -0.9701 0.0804 0.0896 1.0332 1.0416 1.1571 1.1582 1.8910 1.8935 2.2040 2.2053 2.5303 2.5363 2.9932 2.9962 3.3392 3.3427 4.0102 4.0173 4.2580 4.2584 7.1711 7.1737 7.9547 7.9586 8.6792 8.6877 9.3301 9.3375 k = 0.1207 0.0551-0.0570 ( 18761 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4420 -10.4418 -8.1557 -8.1556 -7.7205 -7.7205 -7.3603 -7.3596 -4.9966 -4.9952 -2.9751 -2.9738 -1.0272 -1.0230 -0.9747 -0.9735 0.1152 0.1260 1.0344 1.0445 1.1528 1.1542 1.9065 1.9096 2.2289 2.2302 2.5048 2.5115 2.9640 2.9676 3.3253 3.3292 3.9995 4.0076 4.2377 4.2381 7.1792 7.1820 8.0445 8.0481 8.6798 8.6899 9.2733 9.2791 k = 0.1379 0.0630-0.0651 ( 18766 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4376 -10.4374 -8.1621 -8.1619 -7.7205 -7.7205 -7.3736 -7.3728 -4.9761 -4.9746 -2.9770 -2.9756 -1.0333 -1.0290 -0.9789 -0.9770 0.1545 0.1670 1.0358 1.0476 1.1476 1.1492 1.9238 1.9274 2.2565 2.2578 2.4737 2.4809 2.9364 2.9404 3.3093 3.3136 3.9879 3.9968 4.2161 4.2163 7.1880 7.1908 8.1405 8.1433 8.6798 8.6914 9.2077 9.2122 k = 0.1552 0.0708-0.0733 ( 18774 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4327 -10.4325 -8.1690 -8.1688 -7.7205 -7.7205 -7.3882 -7.3873 -4.9537 -4.9520 -2.9790 -2.9775 -1.0399 -1.0358 -0.9830 -0.9802 0.1981 0.2122 1.0371 1.0508 1.1414 1.1434 1.9423 1.9466 2.2863 2.2877 2.4375 2.4446 2.9117 2.9159 3.2916 3.2960 3.9756 3.9853 4.1934 4.1936 7.1973 7.2001 8.2385 8.2401 8.6783 8.6916 9.1365 9.1402 k = 0.1724 0.0787-0.0814 ( 18785 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4275 -10.4273 -8.1763 -8.1761 -7.7205 -7.7205 -7.4038 -7.4028 -4.9294 -4.9276 -2.9811 -2.9796 -1.0471 -1.0432 -0.9869 -0.9832 0.2454 0.2613 1.0380 1.0535 1.1345 1.1369 1.9617 1.9668 2.3178 2.3189 2.3972 2.4039 2.8907 2.8949 3.2721 3.2767 3.9628 3.9732 4.1700 4.1701 7.2070 7.2098 8.3331 8.3333 8.6742 8.6893 9.0630 9.0662 k = 0.1897 0.0866-0.0896 ( 18791 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4219 -10.4217 -8.1840 -8.1838 -7.7205 -7.7204 -7.4203 -7.4193 -4.9035 -4.9016 -2.9834 -2.9818 -1.0548 -1.0512 -0.9905 -0.9858 0.2961 0.3138 1.0376 1.0547 1.1273 1.1306 1.9811 1.9873 2.3453 2.3459 2.3593 2.3653 2.8736 2.8776 3.2511 3.2557 3.9498 3.9607 4.1463 4.1463 7.2171 7.2199 8.4155 8.4177 8.6654 8.6822 8.9910 8.9937 k = 0.2069 0.0944-0.0977 ( 18796 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4160 -10.4158 -8.1920 -8.1918 -7.7205 -7.7204 -7.4375 -7.4365 -4.8764 -4.8744 -2.9857 -2.9840 -1.0627 -1.0595 -0.9936 -0.9880 0.3495 0.3692 1.0346 1.0525 1.1211 1.1262 1.9997 2.0074 2.3091 2.3117 2.3854 2.3873 2.8601 2.8638 3.2290 3.2335 3.9368 3.9482 4.1223 4.1223 7.2275 7.2303 8.4792 8.4835 8.6486 8.6664 8.9261 8.9274 k = 0.2241 0.1023-0.1059 ( 18792 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4098 -10.4096 -8.2002 -8.1999 -7.7205 -7.7204 -7.4551 -7.4541 -4.8483 -4.8462 -2.9880 -2.9863 -1.0710 -1.0681 -0.9962 -0.9896 0.4050 0.4268 1.0272 1.0447 1.1175 1.1259 2.0156 2.0253 2.2686 2.2688 2.4181 2.4195 2.8498 2.8530 3.2061 3.2104 3.9241 3.9357 4.0984 4.0985 7.2382 7.2409 8.5173 8.5230 8.6191 8.6362 8.8732 8.8751 k = 0.2414 0.1102-0.1140 ( 18783 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4035 -10.4033 -8.2084 -8.2082 -7.7204 -7.7203 -7.4731 -7.4721 -4.8195 -4.8173 -2.9903 -2.9886 -1.0794 -1.0768 -0.9981 -0.9907 0.4621 0.4861 1.0139 1.0303 1.1180 1.1306 2.0259 2.0382 2.2317 2.2347 2.4498 2.4508 2.8421 2.8449 3.1830 3.1870 3.9119 3.9236 4.0747 4.0749 7.2491 7.2517 8.5256 8.5321 8.5760 8.5899 8.8351 8.8425 k = 0.2586 0.1180-0.1221 ( 18785 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3971 -10.3969 -8.2165 -8.2163 -7.7204 -7.7203 -7.4911 -7.4901 -4.7903 -4.7881 -2.9925 -2.9909 -1.0878 -1.0855 -0.9993 -0.9912 0.5197 0.5461 0.9946 1.0100 1.1230 1.1399 2.0268 2.0414 2.2065 2.2127 2.4792 2.4796 2.8367 2.8390 3.1604 3.1640 3.9003 3.9119 4.0515 4.0518 7.2602 7.2627 8.4950 8.5039 8.5337 8.5416 8.8113 8.8251 k = 0.2759 0.1259-0.1303 ( 18788 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3907 -10.3905 -8.2246 -8.2244 -7.7203 -7.7202 -7.5090 -7.5080 -4.7612 -4.7589 -2.9948 -2.9932 -1.0961 -1.0941 -0.9998 -0.9911 0.5771 0.6059 0.9700 0.9847 1.1325 1.1532 2.0162 2.0312 2.1977 2.2054 2.5047 2.5048 2.8332 2.8349 3.1394 3.1424 3.8895 3.9010 4.0290 4.0294 7.2712 7.2736 8.4315 8.4400 8.4983 8.5031 8.7966 8.8168 k = 0.2931 0.1338-0.1384 ( 18782 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3844 -10.3842 -8.2324 -8.2322 -7.7202 -7.7201 -7.5266 -7.5256 -4.7323 -4.7301 -2.9969 -2.9954 -1.1042 -1.1025 -0.9995 -0.9904 0.6331 0.6642 0.9411 0.9556 1.1461 1.1704 1.9967 2.0102 2.2031 2.2104 2.5245 2.5253 2.8311 2.8324 3.1210 3.1232 3.8797 3.8909 4.0074 4.0078 7.2823 7.2846 8.3594 8.3664 8.4565 8.4600 8.7860 8.8131 k = 0.3103 0.1417-0.1466 ( 18776 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3782 -10.3780 -8.2399 -8.2398 -7.7202 -7.7201 -7.5436 -7.5427 -4.7041 -4.7020 -2.9990 -2.9975 -1.1121 -1.1106 -0.9985 -0.9891 0.6862 0.7195 0.9092 0.9236 1.1643 1.1914 1.9735 1.9850 2.2165 2.2227 2.5378 2.5393 2.8303 2.8312 3.1062 3.1077 3.8709 3.8818 3.9868 3.9873 7.2932 7.2954 8.2859 8.2916 8.4092 8.4117 8.7758 8.8114 k = 0.3276 0.1495-0.1547 ( 18780 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3722 -10.3720 -8.2471 -8.2469 -7.7201 -7.7200 -7.5599 -7.5590 -4.6770 -4.6748 -3.0009 -2.9995 -1.1195 -1.1182 -0.9967 -0.9873 0.7349 0.7697 0.8758 0.8903 1.1875 1.2166 1.9504 1.9599 2.2333 2.2385 2.5433 2.5456 2.8305 2.8310 3.0960 3.0968 3.8633 3.8737 3.9675 3.9680 7.3039 7.3059 8.2138 8.2184 8.3594 8.3611 8.7619 8.8087 k = 0.3448 0.1574-0.1629 ( 18779 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3664 -10.3662 -8.2538 -8.2536 -7.7200 -7.7199 -7.5752 -7.5744 -4.6511 -4.6491 -3.0027 -3.0014 -1.1265 -1.1254 -0.9943 -0.9850 0.7754 0.8079 0.8475 0.8592 1.2161 1.2462 1.9292 1.9369 2.2511 2.2554 2.5406 2.5435 2.8314 2.8317 3.0909 3.0910 3.8568 3.8666 3.9497 3.9502 7.3143 7.3162 8.1446 8.1484 8.3094 8.3104 8.7397 8.7977 k = 0.3621 0.1653-0.1710 ( 18782 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3611 -10.3609 -8.2599 -8.2598 -7.7199 -7.7199 -7.5894 -7.5887 -4.6269 -4.6250 -3.0044 -3.0032 -1.1330 -1.1320 -0.9914 -0.9824 0.7907 0.7958 0.8475 0.8627 1.2502 1.2799 1.9107 1.9169 2.2685 2.2721 2.5299 2.5334 2.8329 2.8330 3.0901 3.0906 3.8514 3.8604 3.9336 3.9341 7.3242 7.3259 8.0797 8.0827 8.2609 8.2614 8.7048 8.7563 k = 0.3793 0.1731-0.1791 ( 18776 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3562 -10.3560 -8.2655 -8.2654 -7.7199 -7.7198 -7.6024 -7.6017 -4.6047 -4.6030 -3.0058 -3.0048 -1.1388 -1.1380 -0.9881 -0.9796 0.7634 0.7683 0.8685 0.8921 1.2891 1.3172 1.8951 1.9001 2.2848 2.2878 2.5124 2.5162 2.8348 2.8348 3.0934 3.0943 3.8470 3.8550 3.9195 3.9199 7.3336 7.3351 8.0198 8.0222 8.2153 8.2154 8.6590 8.6929 k = 0.3966 0.1810-0.1873 ( 18774 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3517 -10.3516 -8.2705 -8.2704 -7.7198 -7.7198 -7.6140 -7.6134 -4.5848 -4.5832 -3.0071 -3.0062 -1.1440 -1.1433 -0.9845 -0.9768 0.7314 0.7379 0.8938 0.9165 1.3312 1.3565 1.8823 1.8862 2.2995 2.3019 2.4899 2.4938 2.8369 2.8370 3.0995 3.1006 3.8433 3.8502 3.9076 3.9079 7.3422 7.3435 7.9660 7.9679 8.1735 8.1736 8.6093 8.6306 k = 0.4138 0.1889-0.1954 ( 18754 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3479 -10.3478 -8.2747 -8.2746 -7.7198 -7.7197 -7.6240 -7.6235 -4.5674 -4.5660 -3.0082 -3.0074 -1.1484 -1.1479 -0.9809 -0.9740 0.7021 0.7085 0.9155 0.9352 1.3743 1.3961 1.8721 1.8750 2.3123 2.3142 2.4645 2.4683 2.8391 2.8392 3.1071 3.1083 3.8401 3.8459 3.8981 3.8981 7.3500 7.3511 7.9190 7.9204 8.1366 8.1368 8.5619 8.5755 k = 0.4310 0.1967-0.2036 ( 18760 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3447 -10.3446 -8.2783 -8.2782 -7.7197 -7.7197 -7.6323 -7.6319 -4.5527 -4.5516 -3.0091 -3.0085 -1.1521 -1.1517 -0.9774 -0.9717 0.6769 0.6825 0.9329 0.9489 1.4157 1.4336 1.8642 1.8663 2.3228 2.3242 2.4387 2.4422 2.8411 2.8412 3.1150 3.1160 3.8374 3.8419 3.8907 3.8909 7.3567 7.3575 7.8794 7.8805 8.1053 8.1056 8.5205 8.5294 k = 0.4483 0.2046-0.2117 ( 18753 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3421 -10.3420 -8.2811 -8.2810 -7.7197 -7.7197 -7.6389 -7.6386 -4.5411 -4.5403 -3.0098 -3.0093 -1.1550 -1.1547 -0.9742 -0.9698 0.6566 0.6610 0.9464 0.9584 1.4526 1.4663 1.8584 1.8598 2.3309 2.3319 2.4151 2.4181 2.8430 2.8431 3.1221 3.1230 3.8350 3.8383 3.8856 3.8859 7.3621 7.3627 7.8480 7.8488 8.0803 8.0807 8.4872 8.4928 k = 0.4655 0.2125-0.2199 ( 18777 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3402 -10.3402 -8.2831 -8.2830 -7.7197 -7.7196 -7.6436 -7.6434 -4.5326 -4.5321 -3.0103 -3.0100 -1.1571 -1.1569 -0.9716 -0.9685 0.6418 0.6449 0.9562 0.9642 1.4823 1.4916 1.8544 1.8552 2.3364 2.3370 2.3964 2.3986 2.8444 2.8445 3.1277 3.1283 3.8332 3.8353 3.8823 3.8827 7.3662 7.3666 7.8252 7.8257 8.0622 8.0624 8.4630 8.4663 k = 0.4828 0.2204-0.2280 ( 18780 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3391 -10.3391 -8.2843 -8.2842 -7.7196 -7.7196 -7.6464 -7.6463 -4.5274 -4.5272 -3.0105 -3.0104 -1.1583 -1.1582 -0.9696 -0.9680 0.6330 0.6346 0.9628 0.9668 1.5023 1.5070 1.8521 1.8525 2.3393 2.3395 2.3848 2.3860 2.8453 2.8454 3.1313 3.1316 3.8322 3.8332 3.8807 3.8809 7.3687 7.3689 7.8114 7.8117 8.0511 8.0513 8.4485 8.4501 k = 0.5000 0.2282-0.2361 ( 18776 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3387 -10.3387 -8.2847 -8.2847 -7.7196 -7.7196 -7.6474 -7.6474 -4.5256 -4.5256 -3.0106 -3.0106 -1.1587 -1.1587 -0.9684 -0.9684 0.6306 0.6306 0.9663 0.9663 1.5108 1.5108 1.8515 1.8515 2.3401 2.3401 2.3813 2.3813 2.8457 2.8457 3.1327 3.1327 3.8322 3.8322 3.8802 3.8802 7.3696 7.3696 7.8069 7.8069 8.0475 8.0475 8.4442 8.4442 k = 0.5000 0.2282-0.2361 ( 18776 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3387 -10.3387 -8.2847 -8.2847 -7.7196 -7.7196 -7.6474 -7.6474 -4.5256 -4.5256 -3.0106 -3.0106 -1.1587 -1.1587 -0.9684 -0.9684 0.6306 0.6306 0.9663 0.9663 1.5108 1.5108 1.8515 1.8515 2.3401 2.3401 2.3813 2.3813 2.8457 2.8457 3.1327 3.1327 3.8322 3.8322 3.8802 3.8802 7.3696 7.3696 7.8069 7.8069 8.0475 8.0475 8.4442 8.4442 k = 0.5072 0.2315-0.2176 ( 18772 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3377 -10.3376 -8.2876 -8.2869 -7.7193 -7.7184 -7.6473 -7.6470 -4.5252 -4.5252 -3.0142 -3.0142 -1.1572 -1.1570 -0.9651 -0.9644 0.6291 0.6307 0.9645 0.9694 1.5120 1.5158 1.8488 1.8490 2.3399 2.3414 2.3816 2.3823 2.8456 2.8460 3.1326 3.1331 3.8302 3.8336 3.8800 3.8803 7.3727 7.3730 7.8056 7.8078 8.0503 8.0503 8.4420 8.4458 k = 0.5145 0.2348-0.1991 ( 18772 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3347 -10.3345 -8.2957 -8.2942 -7.7175 -7.7157 -7.6470 -7.6463 -4.5241 -4.5241 -3.0251 -3.0250 -1.1525 -1.1521 -0.9546 -0.9533 0.6261 0.6293 0.9640 0.9738 1.5195 1.5268 1.8408 1.8412 2.3408 2.3436 2.3830 2.3844 2.8458 2.8467 3.1330 3.1340 3.8277 3.8339 3.8798 3.8808 7.3823 7.3830 7.8038 7.8082 8.0588 8.0589 8.4387 8.4467 k = 0.5217 0.2381-0.1806 ( 18770 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3296 -10.3294 -8.3088 -8.3066 -7.7141 -7.7115 -7.6462 -7.6452 -4.5222 -4.5222 -3.0430 -3.0428 -1.1447 -1.1440 -0.9370 -0.9349 0.6217 0.6264 0.9650 0.9791 1.5332 1.5436 1.8277 1.8284 2.3428 2.3469 2.3856 2.3878 2.8464 2.8478 3.1340 3.1353 3.8240 3.8317 3.8801 3.8831 7.3983 7.3994 7.8012 7.8080 8.0728 8.0729 8.4335 8.4462 k = 0.5290 0.2414-0.1620 ( 18774 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3225 -10.3221 -8.3266 -8.3239 -7.7095 -7.7061 -7.6451 -7.6438 -4.5196 -4.5195 -3.0676 -3.0674 -1.1340 -1.1331 -0.9124 -0.9095 0.6158 0.6221 0.9673 0.9852 1.5527 1.5656 1.8095 1.8108 2.3460 2.3512 2.3896 2.3925 2.8475 2.8494 3.1358 3.1373 3.8181 3.8260 3.8820 3.8882 7.4203 7.4220 7.7975 7.8071 8.0920 8.0922 8.4242 8.4423 k = 0.5362 0.2448-0.1435 ( 18768 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3134 -10.3129 -8.3489 -8.3457 -7.7036 -7.6995 -7.6437 -7.6421 -4.5161 -4.5161 -3.0984 -3.0981 -1.1204 -1.1192 -0.8809 -0.8773 0.6085 0.6162 0.9708 0.9918 1.5775 1.5923 1.7867 1.7888 2.3502 2.3564 2.3950 2.3987 2.8494 2.8516 3.1386 3.1402 3.8093 3.8165 3.8862 3.8962 7.4479 7.4505 7.7923 7.8049 8.1159 8.1162 8.4063 8.4288 k = 0.5434 0.2481-0.1250 ( 18765 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3022 -10.3017 -8.3755 -8.3718 -7.6967 -7.6920 -7.6419 -7.6400 -4.5120 -4.5119 -3.1349 -3.1347 -1.1041 -1.1028 -0.8429 -0.8383 0.5996 0.6088 0.9752 0.9988 1.6063 1.6227 1.7596 1.7630 2.3557 2.3626 2.4022 2.4066 2.8521 2.8547 3.1427 3.1442 3.7971 3.8035 3.8929 3.9068 7.4805 7.4846 7.7847 7.8009 8.1439 8.1444 8.3723 8.3906 k = 0.5507 0.2514-0.1065 ( 18766 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.2890 -10.2884 -8.4059 -8.4018 -7.6889 -7.6836 -7.6398 -7.6376 -4.5070 -4.5069 -3.1766 -3.1765 -1.0854 -1.0839 -0.7985 -0.7930 0.5893 0.5998 0.9805 1.0058 1.6366 1.6550 1.7294 1.7356 2.3624 2.3699 2.4113 2.4165 2.8559 2.8589 3.1486 3.1498 3.7817 3.7873 3.9019 3.9196 7.5169 7.5237 7.7738 7.7939 8.1748 8.1761 8.3148 8.3154 k = 0.5579 0.2547-0.0879 ( 18762 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.2738 -10.2731 -8.4399 -8.4355 -7.6804 -7.6746 -7.6374 -7.6348 -4.5013 -4.5011 -3.2229 -3.2229 -1.0643 -1.0626 -0.7482 -0.7416 0.5774 0.5893 0.9865 1.0130 1.6567 1.6754 1.7092 1.7175 2.3703 2.3781 2.4227 2.4288 2.8611 2.8643 3.1565 3.1572 3.7634 3.7683 3.9131 3.9341 7.5546 7.5672 7.7592 7.7817 8.2018 8.2102 8.2145 8.2444 k = 0.5652 0.2580-0.0694 ( 18748 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.2566 -10.2558 -8.4772 -8.4726 -7.6712 -7.6650 -7.6347 -7.6318 -4.4948 -4.4945 -3.2734 -3.2732 -1.0411 -1.0392 -0.6923 -0.6846 0.5641 0.5773 0.9930 1.0201 1.6398 1.6467 1.7342 1.7351 2.3796 2.3875 2.4368 2.4439 2.8677 2.8711 3.1669 3.1670 3.7423 3.7467 3.9261 3.9502 7.5863 7.6137 7.7432 7.7598 8.1070 8.1436 8.2463 8.2507 k = 0.5724 0.2613-0.0509 ( 18765 PWs) bands (ev): -40.5378 -40.5378 -40.5370 -40.5370 -10.2375 -10.2365 -8.5174 -8.5127 -7.6615 -7.6550 -7.6318 -7.6285 -4.4874 -4.4869 -3.3273 -3.3270 -1.0158 -1.0138 -0.6314 -0.6225 0.5495 0.5639 0.9999 1.0272 1.6030 1.6057 1.7677 1.7696 2.3901 2.3980 2.4541 2.4621 2.8760 2.8796 3.1796 3.1801 3.7187 3.7227 3.9407 3.9675 7.5901 7.6583 7.7220 7.7411 8.0101 8.0606 8.2823 8.2853 k = 0.5796 0.2646-0.0324 ( 18772 PWs) bands (ev): -40.5378 -40.5378 -40.5370 -40.5370 -10.2164 -10.2153 -8.5604 -8.5556 -7.6514 -7.6445 -7.6285 -7.6249 -4.4791 -4.4785 -3.3842 -3.3837 -0.9886 -0.9864 -0.5660 -0.5558 0.5336 0.5492 1.0071 1.0342 1.5603 1.5609 1.8028 1.8031 2.4021 2.4097 2.4748 2.4839 2.8861 2.8897 3.1953 3.1966 3.6928 3.6965 3.9568 3.9860 7.5424 7.6305 7.7229 7.7702 7.9422 7.9898 8.3168 8.3196 k = 0.5869 0.2679-0.0138 ( 18770 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.1933 -10.1922 -8.6058 -8.6009 -7.6409 -7.6339 -7.6250 -7.6210 -4.4700 -4.4692 -3.4435 -3.4428 -0.9595 -0.9572 -0.4969 -0.4853 0.5167 0.5334 1.0145 1.0412 1.5137 1.5146 1.8334 1.8357 2.4155 2.4229 2.4994 2.5094 2.8980 2.9017 3.2146 3.2167 3.6648 3.6682 3.9741 4.0054 7.4542 7.5236 7.7632 7.8183 7.9110 7.9357 8.3480 8.3510 k = 0.5941 0.2712 0.0047 ( 18770 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.1683 -10.1671 -8.6533 -8.6484 -7.6303 -7.6232 -7.6211 -7.6166 -4.4599 -4.4589 -3.5047 -3.5038 -0.9286 -0.9262 -0.4248 -0.4119 0.4992 0.5168 1.0221 1.0482 1.4647 1.4668 1.8593 1.8643 2.4305 2.4377 2.5277 2.5385 2.9120 2.9156 3.2378 3.2405 3.6349 3.6381 3.9924 4.0257 7.3418 7.3940 7.7868 7.8717 7.8973 7.9172 8.3738 8.3771 k = 0.6014 0.2745 0.0232 ( 18768 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.1414 -10.1401 -8.7027 -8.6978 -7.6204 -7.6161 -7.6147 -7.6096 -4.4487 -4.4476 -3.5674 -3.5663 -0.8960 -0.8935 -0.3510 -0.3366 0.4816 0.4998 1.0298 1.0552 1.4145 1.4179 1.8802 1.8875 2.4471 2.4541 2.5594 2.5707 2.9279 2.9313 3.2649 3.2682 3.6033 3.6064 4.0118 4.0467 7.2164 7.2555 7.7867 7.8599 7.9352 7.9553 8.3920 8.3957 k = 0.6086 0.2778 0.0417 ( 18772 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.1127 -10.1112 -8.7538 -8.7489 -7.6145 -7.6096 -7.6068 -7.5990 -4.4366 -4.4352 -3.6312 -3.6298 -0.8617 -0.8591 -0.2768 -0.2611 0.4646 0.4832 1.0374 1.0622 1.3639 1.3686 1.8955 1.9048 2.4656 2.4723 2.5938 2.6055 2.9457 2.9489 3.2961 3.2996 3.5704 3.5732 4.0319 4.0682 7.0851 7.1147 7.7744 7.8315 7.9938 8.0072 8.4007 8.4050 k = 0.6159 0.2811 0.0603 ( 18761 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.0821 -10.0806 -8.8063 -8.8015 -7.6101 -7.6050 -7.5957 -7.5876 -4.4233 -4.4217 -3.6957 -3.6940 -0.8258 -0.8230 -0.2042 -0.1873 0.4496 0.4680 1.0449 1.0691 1.3136 1.3197 1.9053 1.9159 2.4859 2.4924 2.6300 2.6417 2.9654 2.9683 3.3307 3.3342 3.5362 3.5390 4.0527 4.0899 6.9530 6.9759 7.7570 7.8043 8.0495 8.0610 8.3992 8.4046 k = 0.6231 0.2844 0.0788 ( 18755 PWs) bands (ev): -40.5377 -40.5377 -40.5371 -40.5371 -10.0497 -10.0480 -8.8599 -8.8552 -7.6058 -7.6004 -7.5842 -7.5760 -4.4088 -4.4069 -3.7604 -3.7585 -0.7883 -0.7854 -0.1356 -0.1182 0.4385 0.4556 1.0523 1.0760 1.2647 1.2722 1.9098 1.9211 2.5082 2.5145 2.6671 2.6786 2.9869 2.9894 3.3680 3.3711 3.5014 3.5041 4.0738 4.1114 6.8241 6.8422 7.7366 7.7773 8.0953 8.1078 8.3903 8.3976 k = 0.6303 0.2877 0.0973 ( 18769 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.0155 -10.0138 -8.9146 -8.9099 -7.6015 -7.5959 -7.5726 -7.5642 -4.3930 -4.3910 -3.8253 -3.8231 -0.7492 -0.7461 -0.0745 -0.0579 0.4339 0.4481 1.0592 1.0829 1.2187 1.2276 1.9093 1.9206 2.5325 2.5386 2.7040 2.7152 3.0100 3.0120 3.4060 3.4085 3.4672 3.4696 4.0947 4.1323 6.7015 6.7165 7.7141 7.7499 8.1187 8.1336 8.3851 8.3948 k = 0.6376 0.2910 0.1159 ( 18769 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -9.9796 -9.9777 -8.9700 -8.9654 -7.5973 -7.5913 -7.5610 -7.5525 -4.3760 -4.3737 -3.8898 -3.8874 -0.7086 -0.7054 -0.0250 -0.0109 0.4385 0.4476 1.0654 1.0896 1.1775 1.1876 1.9041 1.9148 2.5588 2.5646 2.7401 2.7508 3.0344 3.0359 3.4221 3.4252 3.4551 3.4558 4.1150 4.1518 6.5884 6.6017 7.6898 7.7218 8.1038 8.1203 8.4008 8.4113 k = 0.6448 0.2943 0.1344 ( 18772 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -9.9420 -9.9400 -9.0259 -9.0214 -7.5930 -7.5868 -7.5494 -7.5408 -4.3576 -4.3550 -3.9538 -3.9512 -0.6665 -0.6631 0.0092 0.0188 0.4536 0.4553 1.0701 1.0960 1.1443 1.1548 1.8946 1.9041 2.5869 2.5923 2.7747 2.7850 3.0598 3.0608 3.3909 3.3938 3.4890 3.4898 4.1337 4.1689 6.4879 6.5007 7.6639 7.6930 8.0489 8.0655 8.4405 8.4503 k = 0.6521 0.2976 0.1529 ( 18770 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -9.9028 -9.9006 -9.0822 -9.0779 -7.5889 -7.5824 -7.5379 -7.5292 -4.3377 -4.3349 -4.0171 -4.0143 -0.6229 -0.6194 0.0265 0.0304 0.4693 0.4762 1.0729 1.1021 1.1232 1.1325 1.8810 1.8889 2.6166 2.6216 2.8076 2.8174 3.0858 3.0862 3.3570 3.3599 3.5231 3.5256 4.1496 4.1822 6.4030 6.4165 7.6369 7.6635 7.9654 7.9819 8.4936 8.5025 k = 0.6593 0.3009 0.1714 ( 18768 PWs) bands (ev): -40.5376 -40.5376 -40.5372 -40.5372 -9.8619 -9.8596 -9.1387 -9.1345 -7.5848 -7.5780 -7.5265 -7.5177 -4.3163 -4.3134 -4.0793 -4.0763 -0.5780 -0.5742 0.0266 0.0281 0.4843 0.4988 1.0762 1.1081 1.1161 1.1243 1.8636 1.8692 2.6475 2.6520 2.8383 2.8477 3.1110 3.1113 3.3252 3.3281 3.5536 3.5580 4.1613 4.1906 6.3366 6.3519 7.6090 7.6335 7.8636 7.8802 8.5520 8.5607 k = 0.6665 0.3042 0.1900 ( 18765 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.8194 -9.8170 -9.1953 -9.1912 -7.5809 -7.5738 -7.5152 -7.5063 -4.2934 -4.2902 -4.1404 -4.1373 -0.5317 -0.5277 0.0116 0.0175 0.4932 0.5129 1.0864 1.1152 1.1208 1.1323 1.8425 1.8454 2.6789 2.6829 2.8668 2.8756 3.1333 3.1343 3.2982 3.3013 3.5791 3.5856 4.1675 4.1927 6.2914 6.3093 7.5807 7.6033 7.7503 7.7670 8.6112 8.6207 k = 0.6665 0.3042 0.1900 ( 18765 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.8194 -9.8170 -9.1953 -9.1912 -7.5809 -7.5738 -7.5152 -7.5063 -4.2934 -4.2902 -4.1404 -4.1373 -0.5317 -0.5277 0.0116 0.0175 0.4932 0.5129 1.0864 1.1152 1.1208 1.1323 1.8425 1.8454 2.6789 2.6829 2.8668 2.8756 3.1333 3.1343 3.2982 3.3013 3.5791 3.5856 4.1675 4.1927 6.2914 6.3093 7.5807 7.6033 7.7503 7.7670 8.6112 8.6207 k = 0.6554 0.2992 0.2057 ( 18773 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.7986 -9.7961 -9.2200 -9.2159 -7.5809 -7.5736 -7.5131 -7.5042 -4.2868 -4.2837 -4.1629 -4.1596 -0.5060 -0.5019 0.0161 0.0255 0.4889 0.5102 1.0813 1.1036 1.1278 1.1438 1.8443 1.8461 2.6736 2.6789 2.8665 2.8746 3.1617 3.1645 3.2986 3.3048 3.5668 3.5731 4.1781 4.2020 6.2866 6.3071 7.5815 7.6049 7.6860 7.7033 8.6338 8.6441 k = 0.6443 0.2941 0.2214 ( 18771 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.7779 -9.7753 -9.2442 -9.2401 -7.5801 -7.5727 -7.5115 -7.5025 -4.2821 -4.2790 -4.1838 -4.1804 -0.4795 -0.4752 0.0216 0.0342 0.4826 0.5048 1.0680 1.0877 1.1449 1.1611 1.8439 1.8442 2.6677 2.6742 2.8636 2.8709 3.1832 3.1889 3.3094 3.3196 3.5530 3.5593 4.1841 4.2068 6.2880 6.3110 7.5909 7.6063 7.6303 7.6398 8.6538 8.6646 k = 0.6332 0.2890 0.2372 ( 18772 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.7574 -9.7548 -9.2679 -9.2639 -7.5786 -7.5710 -7.5102 -7.5011 -4.2792 -4.2761 -4.2030 -4.1995 -0.4522 -0.4478 0.0279 0.0432 0.4752 0.4974 1.0492 1.0681 1.1691 1.1833 1.8397 1.8410 2.6618 2.6694 2.8582 2.8645 3.1967 3.2046 3.3332 3.3464 3.5379 3.5444 4.1854 4.2071 6.2955 6.3205 7.5490 7.5676 7.6180 7.6423 8.6711 8.6819 k = 0.6221 0.2840 0.2529 ( 18769 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.7372 -9.7344 -9.2912 -9.2872 -7.5764 -7.5686 -7.5094 -7.5003 -4.2779 -4.2748 -4.2205 -4.2170 -0.4241 -0.4196 0.0343 0.0519 0.4677 0.4892 1.0264 1.0452 1.1984 1.2096 1.8324 1.8356 2.6562 2.6649 2.8505 2.8556 3.2045 3.2133 3.3675 3.3824 3.5217 3.5286 4.1819 4.2029 6.3088 6.3356 7.4819 7.5025 7.6472 7.6729 8.6853 8.6957 k = 0.6110 0.2789 0.2687 ( 18771 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.7171 -9.7143 -9.3140 -9.3100 -7.5737 -7.5657 -7.5090 -7.4998 -4.2780 -4.2748 -4.2364 -4.2327 -0.3954 -0.3907 0.0401 0.0594 0.4615 0.4817 1.0003 1.0193 1.2314 1.2394 1.8223 1.8275 2.6513 2.6609 2.8406 2.8445 3.2098 3.2189 3.4083 3.4238 3.5048 3.5119 4.1737 4.1942 6.3276 6.3559 7.4138 7.4355 7.6874 7.7132 8.6959 8.7054 k = 0.5999 0.2738 0.2844 ( 18781 PWs) bands (ev): -40.5375 -40.5375 -40.5373 -40.5373 -9.6972 -9.6943 -9.3363 -9.3324 -7.5704 -7.5622 -7.5091 -7.4999 -4.2793 -4.2760 -4.2505 -4.2468 -0.3660 -0.3611 0.0441 0.0643 0.4582 0.4764 0.9715 0.9906 1.2672 1.2717 1.8095 1.8167 2.6473 2.6578 2.8289 2.8313 3.2147 3.2238 3.4520 3.4653 3.4903 3.4951 4.1610 4.1810 6.3518 6.3811 7.3455 7.3680 7.7367 7.7623 8.7019 8.7105 k = 0.5888 0.2688 0.3002 ( 18775 PWs) bands (ev): -40.5375 -40.5375 -40.5373 -40.5373 -9.6774 -9.6745 -9.3583 -9.3544 -7.5666 -7.5583 -7.5097 -7.5004 -4.2815 -4.2782 -4.2628 -4.2591 -0.3361 -0.3309 0.0453 0.0656 0.4593 0.4747 0.9403 0.9594 1.3049 1.3061 1.7940 1.8032 2.6446 2.6558 2.8157 2.8165 3.2202 3.2294 3.4645 3.4725 3.5030 3.5194 4.1438 4.1636 6.3809 6.4110 7.2771 7.3004 7.7944 7.8194 8.7024 8.7101 k = 0.5777 0.2637 0.3159 ( 18776 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.6579 -9.6548 -9.3798 -9.3760 -7.5625 -7.5541 -7.5108 -7.5015 -4.2844 -4.2810 -4.2734 -4.2696 -0.3056 -0.3002 0.0426 0.0622 0.4660 0.4780 0.9070 0.9261 1.3418 1.3438 1.7760 1.7871 2.6433 2.6551 2.8003 2.8012 3.2270 3.2362 3.4461 3.4553 3.5492 3.5667 4.1225 4.1421 6.4147 6.4453 7.2089 7.2330 7.8593 7.8834 8.6964 8.7035 k = 0.5666 0.2586 0.3316 ( 18778 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.6384 -9.6352 -9.4010 -9.3972 -7.5582 -7.5496 -7.5123 -7.5030 -4.2877 -4.2843 -4.2823 -4.2785 -0.2748 -0.2691 0.0353 0.0535 0.4789 0.4871 0.8719 0.8908 1.3783 1.3833 1.7556 1.7685 2.6436 2.6559 2.7833 2.7859 3.2351 3.2445 3.4268 3.4363 3.5974 3.6152 4.0972 4.1167 6.4529 6.4837 7.1411 7.1660 7.9304 7.9535 8.6828 8.6897 k = 0.5555 0.2536 0.3474 ( 18781 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.6190 -9.6158 -9.4218 -9.4181 -7.5536 -7.5449 -7.5143 -7.5050 -4.2914 -4.2894 -4.2878 -4.2856 -0.2437 -0.2377 0.0233 0.0398 0.4980 0.5021 0.8355 0.8538 1.4151 1.4229 1.7331 1.7474 2.6457 2.6584 2.7658 2.7702 3.2448 3.2543 3.4072 3.4170 3.6459 3.6641 4.0683 4.0877 6.4953 6.5260 7.0740 7.0996 8.0065 8.0283 8.6606 8.6676 k = 0.5444 0.2485 0.3631 ( 18795 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.5996 -9.5964 -9.4424 -9.4386 -7.5489 -7.5401 -7.5168 -7.5075 -4.2955 -4.2942 -4.2918 -4.2906 -0.2126 -0.2061 0.0068 0.0214 0.5227 0.5229 0.7979 0.8156 1.4518 1.4620 1.7084 1.7239 2.6497 2.6626 2.7482 2.7543 3.2560 3.2656 3.3876 3.3977 3.6943 3.7127 4.0359 4.0553 6.5414 6.5719 7.0078 7.0342 8.0862 8.1065 8.6290 8.6366 k = 0.5333 0.2434 0.3789 ( 18793 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.5803 -9.5770 -9.4626 -9.4589 -7.5443 -7.5353 -7.5198 -7.5105 -4.2994 -4.2976 -4.2956 -4.2939 -0.1815 -0.1746 -0.0136 -0.0007 0.5485 0.5520 0.7598 0.7765 1.4881 1.5004 1.6817 1.6980 2.6557 2.6686 2.7311 2.7387 3.2686 3.2784 3.3684 3.3785 3.7421 3.7608 4.0006 4.0199 6.5909 6.6212 6.9428 6.9698 8.1677 8.1864 8.5874 8.5959 k = 0.5222 0.2384 0.3946 ( 18793 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.5610 -9.5575 -9.4826 -9.4790 -7.5396 -7.5306 -7.5231 -7.5138 -4.3020 -4.3002 -4.2982 -4.2966 -0.1507 -0.1432 -0.0372 -0.0258 0.5783 0.5850 0.7215 0.7370 1.5236 1.5376 1.6533 1.6700 2.6638 2.6764 2.7147 2.7238 3.2826 3.2925 3.3496 3.3598 3.7892 3.8080 3.9625 3.9818 6.6435 6.6734 6.8791 6.9067 8.2494 8.2663 8.5356 8.5454 k = 0.5111 0.2333 0.4104 ( 18794 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.5416 -9.5381 -9.5024 -9.4988 -7.5351 -7.5268 -7.5260 -7.5176 -4.3032 -4.3022 -4.2994 -4.2985 -0.1205 -0.1123 -0.0633 -0.0531 0.6113 0.6208 0.6836 0.6974 1.5581 1.5734 1.6231 1.6398 2.6739 2.6860 2.6995 2.7099 3.2978 3.3078 3.3315 3.3416 3.8350 3.8540 3.9220 3.9412 6.6990 6.7284 6.8171 6.8453 8.3292 8.3442 8.4743 8.4857 k = 0.5000 0.2282 0.4261 ( 18800 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5221 -9.5221 -9.5185 -9.5185 -7.5308 -7.5308 -7.5217 -7.5217 -4.3032 -4.3032 -4.2995 -4.2995 -0.0912 -0.0912 -0.0821 -0.0821 0.6466 0.6466 0.6585 0.6585 1.5913 1.5913 1.6075 1.6075 2.6859 2.6859 2.6972 2.6972 3.3142 3.3142 3.3243 3.3243 3.8794 3.8794 3.8985 3.8985 6.7569 6.7569 6.7858 6.7858 8.4049 8.4049 8.4181 8.4181 k = 0.5000 0.2282 0.4261 ( 18800 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5221 -9.5221 -9.5185 -9.5185 -7.5308 -7.5308 -7.5217 -7.5217 -4.3032 -4.3032 -4.2995 -4.2995 -0.0912 -0.0912 -0.0821 -0.0821 0.6466 0.6466 0.6585 0.6585 1.5913 1.5913 1.6075 1.6075 2.6859 2.6859 2.6972 2.6972 3.3142 3.3142 3.3243 3.3243 3.8794 3.8794 3.8985 3.8985 6.7569 6.7569 6.7858 6.7858 8.4049 8.4049 8.4181 8.4181 k = 0.5084 0.2099 0.4261 ( 18802 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5217 -9.5217 -9.5181 -9.5181 -7.5313 -7.5313 -7.5221 -7.5221 -4.3048 -4.3048 -4.3010 -4.3010 -0.0885 -0.0885 -0.0793 -0.0793 0.6470 0.6470 0.6591 0.6591 1.5908 1.5908 1.6071 1.6071 2.6856 2.6856 2.6970 2.6970 3.3157 3.3157 3.3261 3.3261 3.8798 3.8798 3.8990 3.8990 6.7554 6.7554 6.7844 6.7844 8.4029 8.4029 8.4169 8.4169 k = 0.5167 0.1916 0.4261 ( 18794 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5205 -9.5205 -9.5169 -9.5169 -7.5325 -7.5325 -7.5233 -7.5233 -4.3093 -4.3093 -4.3055 -4.3055 -0.0806 -0.0806 -0.0707 -0.0707 0.6483 0.6483 0.6608 0.6608 1.5894 1.5894 1.6060 1.6060 2.6848 2.6848 2.6966 2.6966 3.3203 3.3203 3.3315 3.3315 3.8811 3.8811 3.9004 3.9004 6.7508 6.7508 6.7802 6.7802 8.3970 8.3970 8.4132 8.4132 k = 0.5251 0.1733 0.4261 ( 18784 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5185 -9.5185 -9.5149 -9.5149 -7.5346 -7.5346 -7.5254 -7.5254 -4.3168 -4.3168 -4.3129 -4.3129 -0.0675 -0.0675 -0.0567 -0.0567 0.6504 0.6504 0.6637 0.6637 1.5871 1.5871 1.6040 1.6040 2.6837 2.6837 2.6960 2.6960 3.3277 3.3277 3.3400 3.3400 3.8835 3.8835 3.9030 3.9030 6.7431 6.7431 6.7733 6.7733 8.3876 8.3876 8.4068 8.4068 k = 0.5334 0.1550 0.4261 ( 18778 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5157 -9.5157 -9.5122 -9.5122 -7.5375 -7.5375 -7.5283 -7.5283 -4.3271 -4.3271 -4.3231 -4.3231 -0.0496 -0.0496 -0.0376 -0.0376 0.6535 0.6535 0.6679 0.6679 1.5841 1.5841 1.6015 1.6015 2.6827 2.6827 2.6957 2.6957 3.3373 3.3373 3.3511 3.3511 3.8871 3.8871 3.9070 3.9070 6.7327 6.7327 6.7638 6.7638 8.3746 8.3746 8.3973 8.3973 k = 0.5418 0.1367 0.4261 ( 18772 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5122 -9.5122 -9.5087 -9.5087 -7.5412 -7.5412 -7.5319 -7.5319 -4.3400 -4.3400 -4.3359 -4.3359 -0.0272 -0.0272 -0.0138 -0.0138 0.6577 0.6577 0.6734 0.6734 1.5804 1.5804 1.5983 1.5983 2.6821 2.6821 2.6959 2.6959 3.3483 3.3483 3.3638 3.3638 3.8923 3.8923 3.9126 3.9126 6.7197 6.7197 6.7519 6.7519 8.3580 8.3580 8.3844 8.3844 k = 0.5501 0.1184 0.4261 ( 18768 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5080 -9.5080 -9.5044 -9.5044 -7.5456 -7.5456 -7.5363 -7.5363 -4.3553 -4.3553 -4.3511 -4.3511 -0.0010 -0.0010 0.0139 0.0139 0.6631 0.6631 0.6803 0.6803 1.5761 1.5761 1.5948 1.5948 2.6824 2.6824 2.6970 2.6970 3.3601 3.3601 3.3773 3.3773 3.8995 3.8995 3.9203 3.9203 6.7042 6.7042 6.7378 6.7378 8.3378 8.3378 8.3679 8.3679 k = 0.5585 0.1001 0.4261 ( 18760 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5031 -9.5031 -9.4995 -9.4995 -7.5507 -7.5507 -7.5415 -7.5415 -4.3727 -4.3727 -4.3683 -4.3683 0.0286 0.0286 0.0450 0.0450 0.6698 0.6698 0.6888 0.6888 1.5716 1.5716 1.5910 1.5910 2.6839 2.6839 2.6994 2.6994 3.3719 3.3719 3.3907 3.3907 3.9091 3.9091 3.9303 3.9303 6.6867 6.6867 6.7217 6.7217 8.3136 8.3136 8.3474 8.3474 k = 0.5668 0.0818 0.4261 ( 18752 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4975 -9.4975 -9.4940 -9.4940 -7.5566 -7.5566 -7.5473 -7.5473 -4.3920 -4.3920 -4.3874 -4.3874 0.0606 0.0606 0.0786 0.0786 0.6780 0.6780 0.6990 0.6990 1.5671 1.5671 1.5873 1.5873 2.6871 2.6871 2.7035 2.7035 3.3827 3.3827 3.4032 3.4032 3.9214 3.9214 3.9430 3.9430 6.6674 6.6674 6.7039 6.7039 8.2849 8.2849 8.3223 8.3223 k = 0.5752 0.0635 0.4261 ( 18760 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4914 -9.4914 -9.4878 -9.4878 -7.5630 -7.5630 -7.5537 -7.5537 -4.4128 -4.4128 -4.4081 -4.4081 0.0942 0.0942 0.1138 0.1138 0.6880 0.6880 0.7111 0.7111 1.5627 1.5627 1.5838 1.5838 2.6922 2.6922 2.7095 2.7095 3.3920 3.3920 3.4141 3.4141 3.9368 3.9368 3.9586 3.9586 6.6467 6.6467 6.6847 6.6847 8.2512 8.2512 8.2922 8.2922 k = 0.5835 0.0452 0.4261 ( 18766 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4847 -9.4847 -9.4811 -9.4811 -7.5700 -7.5700 -7.5607 -7.5607 -4.4348 -4.4348 -4.4300 -4.4300 0.1286 0.1286 0.1496 0.1496 0.7000 0.7000 0.7253 0.7253 1.5589 1.5589 1.5808 1.5808 2.6994 2.6994 2.7178 2.7178 3.3993 3.3993 3.4228 3.4228 3.9553 3.9553 3.9772 3.9772 6.6248 6.6248 6.6645 6.6645 8.2116 8.2116 8.2562 8.2562 k = 0.5919 0.0269 0.4261 ( 18764 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4776 -9.4776 -9.4740 -9.4740 -7.5776 -7.5776 -7.5683 -7.5683 -4.4578 -4.4578 -4.4528 -4.4528 0.1627 0.1627 0.1850 0.1850 0.7141 0.7141 0.7416 0.7416 1.5559 1.5559 1.5787 1.5787 2.7089 2.7089 2.7284 2.7284 3.4043 3.4043 3.4290 3.4290 3.9768 3.9768 3.9987 3.9987 6.6022 6.6022 6.6436 6.6436 8.1653 8.1653 8.2134 8.2134 k = 0.6002 0.0086 0.4261 ( 18756 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4700 -9.4700 -9.4664 -9.4664 -7.5855 -7.5855 -7.5762 -7.5762 -4.4814 -4.4814 -4.4763 -4.4763 0.1957 0.1957 0.2191 0.2191 0.7304 0.7304 0.7601 0.7601 1.5542 1.5542 1.5779 1.5779 2.7209 2.7209 2.7415 2.7415 3.4071 3.4071 3.4328 3.4328 4.0011 4.0011 4.0228 4.0228 6.5791 6.5791 6.6223 6.6223 8.1116 8.1116 8.1630 8.1630 k = 0.6086-0.0097 0.4261 ( 18756 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4621 -9.4621 -9.4586 -9.4586 -7.5938 -7.5938 -7.5845 -7.5845 -4.5053 -4.5053 -4.5002 -4.5002 0.2268 0.2268 0.2509 0.2509 0.7490 0.7490 0.7806 0.7806 1.5540 1.5540 1.5786 1.5786 2.7355 2.7355 2.7572 2.7572 3.4077 3.4077 3.4344 3.4344 4.0278 4.0278 4.0491 4.0491 6.5560 6.5560 6.6009 6.6009 8.0496 8.0496 8.1044 8.1044 k = 0.6169-0.0280 0.4261 ( 18750 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4540 -9.4540 -9.4504 -9.4504 -7.6024 -7.6024 -7.5931 -7.5931 -4.5293 -4.5293 -4.5240 -4.5240 0.2553 0.2553 0.2798 0.2798 0.7696 0.7696 0.8030 0.8030 1.5558 1.5558 1.5812 1.5812 2.7525 2.7525 2.7754 2.7754 3.4066 3.4066 3.4339 3.4339 4.0563 4.0563 4.0771 4.0771 6.5332 6.5332 6.5798 6.5798 7.9794 7.9794 8.0373 8.0373 k = 0.6253-0.0463 0.4261 ( 18754 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4457 -9.4457 -9.4421 -9.4421 -7.6111 -7.6111 -7.6018 -7.6018 -4.5531 -4.5531 -4.5478 -4.5478 0.2808 0.2808 0.3053 0.3053 0.7919 0.7919 0.8265 0.8265 1.5598 1.5598 1.5860 1.5860 2.7719 2.7719 2.7960 2.7960 3.4042 3.4042 3.4321 3.4321 4.0858 4.0858 4.1061 4.1061 6.5109 6.5109 6.5594 6.5594 7.9011 7.9011 7.9621 7.9621 k = 0.6336-0.0646 0.4261 ( 18744 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4373 -9.4373 -9.4338 -9.4338 -7.6198 -7.6198 -7.6106 -7.6106 -4.5764 -4.5764 -4.5710 -4.5710 0.3030 0.3030 0.3271 0.3271 0.8151 0.8151 0.8507 0.8507 1.5664 1.5664 1.5933 1.5933 2.7935 2.7935 2.8187 2.8187 3.4011 3.4011 3.4293 3.4293 4.1159 4.1159 4.1355 4.1355 6.4896 6.4896 6.5398 6.5398 7.8155 7.8155 7.8794 7.8794 k = 0.6420-0.0829 0.4261 ( 18744 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4290 -9.4290 -9.4255 -9.4255 -7.6285 -7.6285 -7.6194 -7.6194 -4.5991 -4.5991 -4.5937 -4.5937 0.3219 0.3219 0.3455 0.3455 0.8387 0.8387 0.8746 0.8746 1.5757 1.5757 1.6031 1.6031 2.8170 2.8170 2.8432 2.8432 3.3979 3.3979 3.4263 3.4263 4.1457 4.1457 4.1646 4.1646 6.4695 6.4695 6.5215 6.5215 7.7241 7.7241 7.7905 7.7905 k = 0.6503-0.1012 0.4261 ( 18748 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4208 -9.4208 -9.4173 -9.4173 -7.6370 -7.6370 -7.6279 -7.6279 -4.6208 -4.6208 -4.6154 -4.6154 0.3377 0.3377 0.3604 0.3604 0.8617 0.8617 0.8975 0.8975 1.5876 1.5876 1.6154 1.6154 2.8420 2.8420 2.8689 2.8689 3.3953 3.3953 3.4238 3.4238 4.1747 4.1747 4.1928 4.1928 6.4510 6.4510 6.5046 6.5046 7.6284 7.6284 7.6969 7.6969 k = 0.6587-0.1195 0.4261 ( 18746 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4129 -9.4129 -9.4094 -9.4094 -7.6452 -7.6452 -7.6362 -7.6362 -4.6416 -4.6416 -4.6362 -4.6362 0.3505 0.3505 0.3723 0.3723 0.8836 0.8836 0.9188 0.9188 1.6019 1.6019 1.6300 1.6300 2.8680 2.8680 2.8952 2.8952 3.3941 3.3941 3.4224 3.4224 4.2023 4.2023 4.2195 4.2195 6.4341 6.4341 6.4894 6.4894 7.5302 7.5302 7.6006 7.6006 k = 0.6671-0.1378 0.4261 ( 18752 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4053 -9.4053 -9.4018 -9.4018 -7.6530 -7.6530 -7.6441 -7.6441 -4.6611 -4.6611 -4.6557 -4.6557 0.3607 0.3607 0.3815 0.3815 0.9039 0.9039 0.9381 0.9381 1.6183 1.6183 1.6464 1.6464 2.8941 2.8941 2.9213 2.9213 3.3951 3.3951 3.4229 3.4229 4.2279 4.2279 4.2441 4.2441 6.4193 6.4193 6.4761 6.4761 7.4315 7.4315 7.5032 7.5032 k = 0.6754-0.1560 0.4261 ( 18758 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.3981 -9.3981 -9.3947 -9.3947 -7.6603 -7.6603 -7.6514 -7.6514 -4.6792 -4.6792 -4.6739 -4.6739 0.3684 0.3684 0.3883 0.3883 0.9222 0.9222 0.9552 0.9552 1.6360 1.6360 1.6640 1.6640 2.9195 2.9195 2.9462 2.9462 3.3989 3.3989 3.4261 3.4261 4.2511 4.2511 4.2662 4.2662 6.4067 6.4067 6.4647 6.4647 7.3342 7.3342 7.4066 7.4066 k = 0.6838-0.1743 0.4261 ( 18766 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.3915 -9.3915 -9.3881 -9.3881 -7.6669 -7.6669 -7.6581 -7.6581 -4.6959 -4.6959 -4.6906 -4.6906 0.3740 0.3740 0.3930 0.3930 0.9385 0.9385 0.9700 0.9700 1.6543 1.6543 1.6821 1.6821 2.9434 2.9434 2.9690 2.9690 3.4063 3.4063 3.4324 3.4324 4.2713 4.2713 4.2852 4.2852 6.3966 6.3966 6.4555 6.4555 7.2401 7.2401 7.3127 7.3127 k = 0.6921-0.1926 0.4261 ( 18772 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.3855 -9.3855 -9.3822 -9.3822 -7.6727 -7.6727 -7.6641 -7.6641 -4.7109 -4.7109 -4.7057 -4.7057 0.3777 0.3777 0.3959 0.3959 0.9529 0.9529 0.9827 0.9827 1.6724 1.6724 1.6998 1.6998 2.9649 2.9649 2.9890 2.9890 3.4174 3.4174 3.4423 3.4423 4.2882 4.2882 4.3008 4.3008 6.3891 6.3891 6.4483 6.4483 7.1513 7.1513 7.2231 7.2231 k = 0.7005-0.2109 0.4261 ( 18774 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.3803 -9.3803 -9.3770 -9.3770 -7.6776 -7.6776 -7.6691 -7.6691 -4.7243 -4.7243 -4.7191 -4.7191 0.3796 0.3796 0.3971 0.3971 0.9655 0.9655 0.9937 0.9937 1.6894 1.6894 1.7164 1.7164 2.9835 2.9835 3.0056 3.0056 3.4320 3.4320 3.4555 3.4555 4.3015 4.3015 4.3128 4.3128 6.3844 6.3844 6.4431 6.4431 7.0696 7.0696 7.1395 7.1395 k = 0.7088-0.2292 0.4261 ( 18770 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.3759 -9.3759 -9.3726 -9.3726 -7.6816 -7.6816 -7.6732 -7.6732 -4.7359 -4.7359 -4.7308 -4.7308 0.3800 0.3800 0.3970 0.3970 0.9766 0.9766 1.0031 1.0031 1.7045 1.7045 1.7311 1.7311 2.9988 2.9988 3.0189 3.0189 3.4494 3.4494 3.4716 3.4716 4.3112 4.3112 4.3210 4.3210 6.3825 6.3825 6.4395 6.4395 6.9971 6.9971 7.0635 7.0635 k = 0.7172-0.2475 0.4261 ( 18766 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.3724 -9.3724 -9.3691 -9.3691 -7.6845 -7.6845 -7.6762 -7.6762 -4.7457 -4.7457 -4.7407 -4.7407 0.3789 0.3789 0.3956 0.3956 0.9865 0.9865 1.0115 1.0115 1.7169 1.7169 1.7431 1.7431 3.0110 3.0110 3.0292 3.0292 3.4684 3.4684 3.4894 3.4894 4.3169 4.3169 4.3253 4.3253 6.3834 6.3834 6.4372 6.4372 6.9357 6.9357 6.9967 6.9967 k = 0.7255-0.2658 0.4261 ( 18752 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.3699 -9.3699 -9.3666 -9.3666 -7.6862 -7.6862 -7.6780 -7.6780 -4.7535 -4.7535 -4.7487 -4.7487 0.3764 0.3764 0.3930 0.3930 0.9955 0.9955 1.0190 1.0190 1.7259 1.7259 1.7519 1.7519 3.0204 3.0204 3.0370 3.0370 3.4874 3.4874 3.5075 3.5075 4.3189 4.3189 4.3261 4.3261 6.3870 6.3870 6.4357 6.4357 6.8874 6.8874 6.9405 6.9405 k = 0.7339-0.2841 0.4261 ( 18746 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.3683 -9.3683 -9.3652 -9.3652 -7.6868 -7.6868 -7.6787 -7.6787 -4.7595 -4.7595 -4.7547 -4.7547 0.3727 0.3727 0.3893 0.3893 1.0039 1.0039 1.0259 1.0259 1.7311 1.7311 1.7568 1.7568 3.0275 3.0275 3.0430 3.0430 3.5049 3.5049 3.5243 3.5243 4.3172 4.3172 4.3234 4.3234 6.3925 6.3925 6.4343 6.4343 6.8541 6.8541 6.8965 6.8965 k = 0.7422-0.3024 0.4261 ( 18740 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.3678 -9.3678 -9.3647 -9.3647 -7.6861 -7.6861 -7.6781 -7.6781 -4.7636 -4.7636 -4.7589 -4.7589 0.3678 0.3678 0.3846 0.3846 1.0119 1.0119 1.0325 1.0325 1.7319 1.7319 1.7577 1.7577 3.0328 3.0328 3.0478 3.0478 3.5194 3.5194 3.5384 3.5384 4.3119 4.3119 4.3179 4.3179 6.3990 6.3990 6.4332 6.4332 6.8370 6.8370 6.8663 6.8663 k = 0.2578-0.5647 0.6622 ( 18740 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.3678 -9.3678 -9.3647 -9.3647 -7.6861 -7.6861 -7.6781 -7.6781 -4.7636 -4.7636 -4.7589 -4.7589 0.3678 0.3678 0.3846 0.3846 1.0119 1.0119 1.0325 1.0325 1.7319 1.7319 1.7577 1.7577 3.0328 3.0328 3.0478 3.0478 3.5194 3.5194 3.5384 3.5384 4.3119 4.3119 4.3179 4.3179 6.3990 6.3990 6.4332 6.4332 6.8370 6.8370 6.8663 6.8663 k = 0.2492-0.5459 0.6622 ( 18734 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.3684 -9.3684 -9.3653 -9.3653 -7.6841 -7.6841 -7.6763 -7.6763 -4.7657 -4.7657 -4.7611 -4.7611 0.3616 0.3616 0.3787 0.3787 1.0200 1.0200 1.0392 1.0392 1.7278 1.7278 1.7538 1.7538 3.0369 3.0369 3.0519 3.0519 3.5299 3.5299 3.5488 3.5488 4.3031 4.3031 4.3096 4.3096 6.4045 6.4045 6.4332 6.4332 6.8359 6.8359 6.8519 6.8519 k = 0.2406-0.5271 0.6622 ( 18732 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.3702 -9.3702 -9.3671 -9.3671 -7.6809 -7.6809 -7.6730 -7.6730 -4.7657 -4.7657 -4.7612 -4.7612 0.3541 0.3541 0.3717 0.3717 1.0280 1.0280 1.0459 1.0459 1.7187 1.7187 1.7451 1.7451 3.0399 3.0399 3.0556 3.0556 3.5351 3.5351 3.5541 3.5541 4.2914 4.2914 4.2988 4.2988 6.4070 6.4070 6.4360 6.4360 6.8469 6.8469 6.8602 6.8602 k = 0.2320-0.5083 0.6622 ( 18724 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.3730 -9.3730 -9.3699 -9.3699 -7.6763 -7.6763 -7.6685 -7.6685 -4.7637 -4.7637 -4.7592 -4.7592 0.3456 0.3456 0.3638 0.3638 1.0362 1.0362 1.0527 1.0527 1.7043 1.7043 1.7313 1.7313 3.0419 3.0419 3.0589 3.0589 3.5348 3.5348 3.5542 3.5542 4.2773 4.2773 4.2859 4.2859 6.4071 6.4071 6.4410 6.4410 6.8682 6.8682 6.8919 6.8919 k = 0.2234-0.4894 0.6622 ( 18730 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.3769 -9.3769 -9.3738 -9.3738 -7.6705 -7.6705 -7.6628 -7.6628 -4.7596 -4.7596 -4.7552 -4.7552 0.3358 0.3358 0.3547 0.3547 1.0445 1.0445 1.0597 1.0597 1.6849 1.6849 1.7125 1.7125 3.0430 3.0430 3.0617 3.0617 3.5296 3.5296 3.5494 3.5494 4.2610 4.2610 4.2707 4.2707 6.4072 6.4072 6.4467 6.4467 6.9053 6.9053 6.9397 6.9397 k = 0.2148-0.4706 0.6622 ( 18722 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.3817 -9.3817 -9.3787 -9.3787 -7.6635 -7.6635 -7.6558 -7.6558 -4.7535 -4.7535 -4.7492 -4.7492 0.3249 0.3249 0.3446 0.3446 1.0530 1.0530 1.0669 1.0669 1.6606 1.6606 1.6889 1.6889 3.0429 3.0429 3.0637 3.0637 3.5203 3.5203 3.5407 3.5407 4.2427 4.2427 4.2533 4.2533 6.4088 6.4088 6.4526 6.4526 6.9581 6.9581 7.0006 7.0006 k = 0.2062-0.4518 0.6622 ( 18712 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.3876 -9.3876 -9.3846 -9.3846 -7.6555 -7.6555 -7.6478 -7.6478 -4.7455 -4.7455 -4.7411 -4.7411 0.3128 0.3128 0.3334 0.3334 1.0615 1.0615 1.0742 1.0742 1.6319 1.6319 1.6608 1.6608 3.0414 3.0414 3.0644 3.0644 3.5085 3.5085 3.5292 3.5292 4.2221 4.2221 4.2336 4.2336 6.4127 6.4127 6.4589 6.4589 7.0246 7.0246 7.0729 7.0729 k = 0.1976-0.4330 0.6622 ( 18728 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.3942 -9.3942 -9.3912 -9.3912 -7.6465 -7.6465 -7.6388 -7.6388 -4.7355 -4.7355 -4.7312 -4.7312 0.2995 0.2995 0.3211 0.3211 1.0699 1.0699 1.0815 1.0815 1.5993 1.5993 1.6286 1.6286 3.0380 3.0380 3.0634 3.0634 3.4955 3.4955 3.5167 3.5167 4.1993 4.1993 4.2114 4.2114 6.4191 6.4191 6.4662 6.4662 7.1030 7.1030 7.1550 7.1550 k = 0.1890-0.4141 0.6622 ( 18710 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4016 -9.4016 -9.3987 -9.3987 -7.6366 -7.6366 -7.6289 -7.6289 -4.7237 -4.7237 -4.7194 -4.7194 0.2849 0.2849 0.3075 0.3075 1.0778 1.0778 1.0887 1.0887 1.5635 1.5635 1.5931 1.5931 3.0325 3.0325 3.0600 3.0600 3.4832 3.4832 3.5045 3.5045 4.1742 4.1742 4.1867 4.1867 6.4280 6.4280 6.4750 6.4750 7.1911 7.1911 7.2452 7.2452 k = 0.1804-0.3953 0.6622 ( 18710 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4097 -9.4097 -9.4067 -9.4067 -7.6260 -7.6260 -7.6183 -7.6183 -4.7101 -4.7101 -4.7058 -4.7058 0.2690 0.2690 0.2925 0.2925 1.0845 1.0845 1.0956 1.0956 1.5256 1.5256 1.5553 1.5553 3.0246 3.0246 3.0540 3.0540 3.4728 3.4728 3.4941 3.4941 4.1466 4.1466 4.1595 4.1595 6.4392 6.4392 6.4853 6.4853 7.2868 7.2868 7.3420 7.3420 k = 0.1719-0.3765 0.6622 ( 18712 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4183 -9.4183 -9.4153 -9.4153 -7.6148 -7.6148 -7.6070 -7.6070 -4.6949 -4.6949 -4.6906 -4.6906 0.2518 0.2518 0.2762 0.2762 1.0892 1.0892 1.1018 1.1018 1.4867 1.4867 1.5164 1.5164 3.0144 3.0144 3.0451 3.0451 3.4652 3.4652 3.4864 3.4864 4.1165 4.1165 4.1298 4.1298 6.4527 6.4527 6.4974 6.4974 7.3882 7.3883 7.4437 7.4437 k = 0.1633-0.3577 0.6622 ( 18718 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4274 -9.4274 -9.4244 -9.4244 -7.6032 -7.6032 -7.5953 -7.5953 -4.6781 -4.6781 -4.6738 -4.6738 0.2331 0.2331 0.2585 0.2585 1.0908 1.0908 1.1064 1.1064 1.4484 1.4484 1.4782 1.4782 3.0020 3.0020 3.0335 3.0335 3.4611 3.4611 3.4819 3.4819 4.0842 4.0842 4.0976 4.0976 6.4681 6.4681 6.5112 6.5112 7.4934 7.4934 7.5486 7.5486 k = 0.1547-0.3388 0.6622 ( 18728 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4367 -9.4367 -9.4337 -9.4337 -7.5912 -7.5912 -7.5833 -7.5833 -4.6599 -4.6599 -4.6557 -4.6557 0.2129 0.2129 0.2391 0.2391 1.0881 1.0881 1.1080 1.1080 1.4125 1.4125 1.4428 1.4428 2.9881 2.9881 3.0198 3.0198 3.4604 3.4604 3.4806 3.4806 4.0497 4.0497 4.0634 4.0634 6.4853 6.4853 6.5266 6.5266 7.6004 7.6004 7.6549 7.6549 k = 0.1461-0.3200 0.6622 ( 18728 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4463 -9.4463 -9.4433 -9.4433 -7.5790 -7.5790 -7.5711 -7.5711 -4.6406 -4.6406 -4.6363 -4.6363 0.1913 0.1913 0.2181 0.2181 1.0797 1.0797 1.1046 1.1046 1.3814 1.3814 1.4125 1.4125 2.9732 2.9732 3.0046 3.0046 3.4627 3.4627 3.4821 3.4821 4.0133 4.0133 4.0273 4.0273 6.5042 6.5042 6.5436 6.5436 7.7072 7.7072 7.7608 7.7608 k = 0.1375-0.3012 0.6622 ( 18712 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4559 -9.4559 -9.4529 -9.4529 -7.5668 -7.5668 -7.5589 -7.5589 -4.6201 -4.6201 -4.6158 -4.6158 0.1681 0.1681 0.1954 0.1954 1.0647 1.0647 1.0944 1.0944 1.3576 1.3576 1.3895 1.3895 2.9581 2.9581 2.9887 2.9887 3.4674 3.4674 3.4860 3.4860 3.9755 3.9755 3.9899 3.9899 6.5244 6.5244 6.5619 6.5619 7.8120 7.8120 7.8645 7.8645 k = 0.1289-0.2824 0.6622 ( 18728 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4656 -9.4656 -9.4626 -9.4626 -7.5547 -7.5547 -7.5467 -7.5467 -4.5988 -4.5988 -4.5945 -4.5945 0.1434 0.1434 0.1711 0.1711 1.0430 1.0430 1.0761 1.0761 1.3426 1.3426 1.3746 1.3746 2.9433 2.9433 2.9729 2.9729 3.4737 3.4737 3.4915 3.4915 3.9366 3.9366 3.9516 3.9516 6.5457 6.5457 6.5813 6.5813 7.9127 7.9127 7.9642 7.9642 k = 0.1203-0.2635 0.6622 ( 18738 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4751 -9.4751 -9.4721 -9.4721 -7.5428 -7.5428 -7.5348 -7.5348 -4.5769 -4.5769 -4.5726 -4.5726 0.1174 0.1174 0.1450 0.1450 1.0160 1.0160 1.0506 1.0506 1.3362 1.3362 1.3672 1.3672 2.9294 2.9294 2.9578 2.9578 3.4808 3.4808 3.4980 3.4980 3.8972 3.8972 3.9131 3.9131 6.5679 6.5679 6.6015 6.6015 8.0076 8.0076 8.0581 8.0581 k = 0.1117-0.2447 0.6622 ( 18738 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4844 -9.4844 -9.4814 -9.4814 -7.5312 -7.5312 -7.5232 -7.5232 -4.5546 -4.5546 -4.5503 -4.5503 0.0900 0.0900 0.1174 0.1174 0.9854 0.9854 1.0200 1.0200 1.3367 1.3367 1.3659 1.3659 2.9170 2.9170 2.9439 2.9439 3.4877 3.4877 3.5045 3.5045 3.8580 3.8580 3.8752 3.8752 6.5906 6.5906 6.6223 6.6223 8.0951 8.0951 8.1447 8.1447 k = 0.1031-0.2259 0.6622 ( 18734 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4933 -9.4933 -9.4903 -9.4903 -7.5201 -7.5201 -7.5120 -7.5120 -4.5322 -4.5322 -4.5279 -4.5279 0.0617 0.0617 0.0885 0.0885 0.9534 0.9534 0.9870 0.9870 1.3421 1.3421 1.3691 1.3691 2.9062 2.9062 2.9317 2.9317 3.4934 3.4934 3.5104 3.5104 3.8197 3.8197 3.8389 3.8389 6.6137 6.6137 6.6433 6.6433 8.1739 8.1739 8.2226 8.2226 k = 0.0945-0.2071 0.6622 ( 18742 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5019 -9.5019 -9.4989 -9.4989 -7.5094 -7.5094 -7.5014 -7.5014 -4.5100 -4.5100 -4.5056 -4.5056 0.0327 0.0327 0.0585 0.0585 0.9217 0.9217 0.9535 0.9535 1.3506 1.3506 1.3752 1.3752 2.8974 2.8974 2.9214 2.9214 3.4968 3.4968 3.5145 3.5145 3.7834 3.7834 3.8052 3.8052 6.6367 6.6367 6.6643 6.6643 8.2436 8.2436 8.2910 8.2910 k = 0.0859-0.1882 0.6622 ( 18744 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5100 -9.5100 -9.5070 -9.5070 -7.4995 -7.4995 -7.4914 -7.4914 -4.4882 -4.4882 -4.4839 -4.4839 0.0034 0.0034 0.0281 0.0281 0.8913 0.8913 0.9212 0.9212 1.3609 1.3609 1.3832 1.3832 2.8906 2.8906 2.9131 2.9131 3.4966 3.4966 3.5157 3.5157 3.7507 3.7507 3.7755 3.7755 6.6594 6.6594 6.6849 6.6849 8.3040 8.3040 8.3497 8.3497 k = 0.0773-0.1694 0.6622 ( 18742 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5175 -9.5175 -9.5145 -9.5145 -7.4902 -7.4902 -7.4821 -7.4821 -4.4672 -4.4672 -4.4629 -4.4629 -0.0256 -0.0256 -0.0024 -0.0024 0.8632 0.8632 0.8909 0.8909 1.3721 1.3721 1.3922 1.3922 2.8860 2.8860 2.9070 2.9070 3.4918 3.4918 3.5126 3.5126 3.7230 3.7230 3.7511 3.7511 6.6814 6.6814 6.7047 6.7047 8.3559 8.3559 8.3991 8.3991 k = 0.0687-0.1506 0.6622 ( 18756 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5244 -9.5244 -9.5215 -9.5215 -7.4817 -7.4817 -7.4736 -7.4736 -4.4473 -4.4473 -4.4430 -4.4430 -0.0538 -0.0538 -0.0322 -0.0322 0.8379 0.8379 0.8633 0.8633 1.3836 1.3836 1.4015 1.4015 2.8833 2.8833 2.9029 2.9029 3.4820 3.4820 3.5038 3.5038 3.7019 3.7019 3.7326 3.7326 6.7024 6.7024 6.7234 6.7234 8.3998 8.3998 8.4400 8.4400 k = 0.0601-0.1318 0.6622 ( 18764 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5307 -9.5307 -9.5277 -9.5277 -7.4741 -7.4741 -7.4660 -7.4660 -4.4288 -4.4288 -4.4245 -4.4245 -0.0804 -0.0804 -0.0608 -0.0608 0.8156 0.8156 0.8388 0.8388 1.3947 1.3947 1.4107 1.4107 2.8826 2.8826 2.9007 2.9007 3.4675 3.4675 3.4893 3.4893 3.6880 3.6880 3.7200 3.7200 6.7220 6.7220 6.7408 6.7408 8.4368 8.4368 8.4734 8.4734 k = 0.0516-0.1129 0.6622 ( 18770 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5362 -9.5362 -9.5332 -9.5332 -7.4674 -7.4674 -7.4593 -7.4593 -4.4120 -4.4120 -4.4077 -4.4077 -0.1050 -0.1050 -0.0874 -0.0874 0.7965 0.7965 0.8174 0.8174 1.4052 1.4052 1.4192 1.4192 2.8836 2.8836 2.9002 2.9002 3.4499 3.4499 3.4704 3.4704 3.6802 3.6802 3.7124 3.7124 6.7400 6.7400 6.7563 6.7563 8.4677 8.4677 8.5002 8.5002 k = 0.0430-0.0941 0.6622 ( 18776 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5409 -9.5409 -9.5380 -9.5380 -7.4616 -7.4616 -7.4535 -7.4535 -4.3973 -4.3973 -4.3930 -4.3930 -0.1269 -0.1269 -0.1113 -0.1113 0.7806 0.7806 0.7993 0.7993 1.4146 1.4146 1.4268 1.4268 2.8858 2.8858 2.9009 2.9009 3.4312 3.4312 3.4494 3.4494 3.6767 3.6767 3.7085 3.7085 6.7560 6.7560 6.7699 6.7699 8.4932 8.4932 8.5213 8.5213 k = 0.0344-0.0753 0.6622 ( 18778 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5449 -9.5449 -9.5419 -9.5419 -7.4569 -7.4569 -7.4488 -7.4488 -4.3848 -4.3848 -4.3805 -4.3805 -0.1455 -0.1455 -0.1320 -0.1320 0.7678 0.7678 0.7845 0.7845 1.4228 1.4228 1.4333 1.4333 2.8889 2.8889 2.9025 2.9025 3.4132 3.4132 3.4286 3.4286 3.6758 3.6758 3.7068 3.7068 6.7698 6.7698 6.7811 6.7811 8.5139 8.5139 8.5375 8.5375 k = 0.0258-0.0565 0.6622 ( 18792 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5480 -9.5480 -9.5450 -9.5450 -7.4531 -7.4531 -7.4450 -7.4450 -4.3748 -4.3748 -4.3705 -4.3705 -0.1605 -0.1605 -0.1488 -0.1488 0.7579 0.7579 0.7730 0.7730 1.4295 1.4295 1.4385 1.4385 2.8924 2.8924 2.9043 2.9043 3.3976 3.3976 3.4100 3.4100 3.6762 3.6762 3.7064 3.7064 6.7811 6.7811 6.7897 6.7897 8.5301 8.5301 8.5492 8.5492 k = 0.0172-0.0376 0.6622 ( 18790 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5502 -9.5502 -9.5472 -9.5472 -7.4504 -7.4504 -7.4424 -7.4424 -4.3675 -4.3675 -4.3633 -4.3633 -0.1713 -0.1713 -0.1613 -0.1613 0.7511 0.7511 0.7648 0.7648 1.4344 1.4344 1.4422 1.4422 2.8955 2.8955 2.9060 2.9060 3.3859 3.3859 3.3952 3.3952 3.6769 3.6769 3.7066 3.7066 6.7897 6.7897 6.7957 6.7957 8.5420 8.5420 8.5569 8.5569 k = 0.0086-0.0188 0.6622 ( 18800 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5515 -9.5515 -9.5486 -9.5486 -7.4488 -7.4488 -7.4407 -7.4407 -4.3631 -4.3631 -4.3588 -4.3588 -0.1778 -0.1778 -0.1689 -0.1689 0.7470 0.7470 0.7598 0.7598 1.4375 1.4375 1.4444 1.4444 2.8978 2.8978 2.9072 2.9072 3.3788 3.3788 3.3855 3.3855 3.6776 3.6776 3.7068 3.7068 6.7953 6.7953 6.7989 6.7989 8.5494 8.5494 8.5610 8.5610 k = 0.0000 0.0000 0.6622 ( 18802 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5520 -9.5520 -9.5490 -9.5490 -7.4483 -7.4483 -7.4402 -7.4402 -4.3616 -4.3616 -4.3574 -4.3574 -0.1800 -0.1800 -0.1715 -0.1715 0.7456 0.7456 0.7582 0.7582 1.4385 1.4385 1.4451 1.4451 2.8986 2.8986 2.9076 2.9076 3.3765 3.3765 3.3820 3.3820 3.6778 3.6778 3.7070 3.7070 6.7975 6.7975 6.7997 6.7997 8.5520 8.5520 8.5623 8.5623 k = 0.0000 0.0000 0.6622 ( 18802 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5520 -9.5520 -9.5490 -9.5490 -7.4483 -7.4483 -7.4402 -7.4402 -4.3616 -4.3616 -4.3574 -4.3574 -0.1800 -0.1800 -0.1715 -0.1715 0.7456 0.7456 0.7582 0.7582 1.4385 1.4385 1.4451 1.4451 2.8986 2.8986 2.9076 2.9076 3.3765 3.3765 3.3820 3.3820 3.6778 3.6778 3.7070 3.7070 6.7975 6.7975 6.7997 6.7997 8.5520 8.5520 8.5623 8.5623 k = 0.0185 0.0085 0.6622 ( 18791 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.5671 -9.5642 -9.5365 -9.5335 -7.4525 -7.4450 -7.4445 -7.4369 -4.3671 -4.3630 -4.3545 -4.3503 -0.1974 -0.1892 -0.1641 -0.1554 0.7093 0.7240 0.7835 0.7939 1.4227 1.4317 1.4544 1.4585 2.8911 2.9003 2.9068 2.9156 3.3279 3.3343 3.4272 3.4318 3.6461 3.6760 3.7075 3.7356 6.7381 6.7397 6.8573 6.8603 8.4652 8.4779 8.6288 8.6362 k = 0.0371 0.0169 0.6622 ( 18790 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.5819 -9.5790 -9.5207 -9.5176 -7.4577 -7.4498 -7.4428 -7.4346 -4.3710 -4.3669 -4.3462 -4.3419 -0.2159 -0.2081 -0.1499 -0.1409 0.6754 0.6919 0.8224 0.8303 1.4066 1.4179 1.4705 1.4724 2.8845 2.8941 2.9155 2.9242 3.2819 3.2890 3.4796 3.4831 3.6129 3.6433 3.7348 3.7615 6.6796 6.6807 6.9173 6.9211 8.3723 8.3868 8.6923 8.6971 k = 0.0556 0.0254 0.6622 ( 18787 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.5965 -9.5936 -9.5044 -9.5013 -7.4637 -7.4559 -7.4416 -7.4333 -4.3729 -4.3689 -4.3369 -4.3326 -0.2355 -0.2279 -0.1374 -0.1283 0.6442 0.6625 0.8614 0.8668 1.3899 1.4035 1.4869 1.4874 2.8789 2.8889 2.9243 2.9330 3.2389 3.2465 3.5327 3.5348 3.5789 3.6097 3.7593 3.7843 6.6224 6.6233 6.9772 6.9818 8.2768 8.2926 8.7412 8.7437 k = 0.0741 0.0338 0.6622 ( 18782 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.6108 -9.6080 -9.4877 -9.4845 -7.4706 -7.4628 -7.4414 -7.4331 -4.3728 -4.3688 -4.3269 -4.3226 -0.2558 -0.2486 -0.1268 -0.1176 0.6165 0.6362 0.8998 0.9027 1.3724 1.3883 1.5026 1.5052 2.8746 2.8850 2.9329 2.9417 3.1993 3.2072 3.5417 3.5676 3.5893 3.5940 3.7809 3.8034 6.5671 6.5679 7.0367 7.0422 8.1818 8.1981 8.7761 8.7768 k = 0.0926 0.0423 0.6622 ( 18787 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.6250 -9.6223 -9.4704 -9.4672 -7.4782 -7.4705 -7.4422 -7.4338 -4.3706 -4.3667 -4.3165 -4.3122 -0.2767 -0.2698 -0.1180 -0.1088 0.5924 0.6134 0.9369 0.9374 1.3540 1.3719 1.5197 1.5243 2.8712 2.8821 2.9410 2.9500 3.1635 3.1715 3.5065 3.5358 3.6407 3.6445 3.7997 3.8187 6.5141 6.5152 7.0957 7.1020 8.0897 8.1059 8.7982 8.7987 k = 0.1112 0.0507 0.6622 ( 18790 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.6391 -9.6364 -9.4527 -9.4494 -7.4864 -7.4787 -7.4439 -7.4355 -4.3661 -4.3622 -4.3061 -4.3018 -0.2979 -0.2913 -0.1109 -0.1019 0.5722 0.5941 0.9701 0.9720 1.3345 1.3544 1.5385 1.5448 2.8687 2.8800 2.9482 2.9575 3.1320 3.1397 3.4710 3.5001 3.6900 3.6979 3.8166 3.8300 6.4643 6.4659 7.1539 7.1612 8.0021 8.0176 8.8100 8.8114 k = 0.1297 0.0592 0.6622 ( 18775 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.6532 -9.6505 -9.4344 -9.4311 -7.4950 -7.4875 -7.4466 -7.4381 -4.3593 -4.3555 -4.2960 -4.2917 -0.3194 -0.3130 -0.1051 -0.0963 0.5558 0.5785 1.0004 1.0046 1.3140 1.3357 1.5591 1.5668 2.8665 2.8781 2.9542 2.9639 3.1053 3.1124 3.4361 3.4645 3.7332 3.7491 3.8345 3.8383 6.4183 6.4207 7.2114 7.2195 7.9205 7.9346 8.8138 8.8159 k = 0.1482 0.0676 0.6622 ( 18770 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.6673 -9.6646 -9.4156 -9.4122 -7.5040 -7.4965 -7.4501 -7.4415 -4.3502 -4.3465 -4.2865 -4.2822 -0.3408 -0.3348 -0.1002 -0.0919 0.5430 0.5662 1.0280 1.0342 1.2925 1.3159 1.5816 1.5901 2.8638 2.8757 2.9586 2.9688 3.0838 3.0902 3.4024 3.4298 3.7630 3.7917 3.8489 3.8596 6.3767 6.3803 7.2678 7.2767 7.8460 7.8581 8.8111 8.8139 k = 0.1667 0.0761 0.6622 ( 18763 PWs) bands (ev): -40.5375 -40.5375 -40.5373 -40.5373 -9.6815 -9.6788 -9.3962 -9.3927 -7.5133 -7.5058 -7.4544 -7.4457 -4.3388 -4.3352 -4.2781 -4.2738 -0.3621 -0.3563 -0.0957 -0.0878 0.5334 0.5568 1.0524 1.0604 1.2703 1.2951 1.6058 1.6147 2.8597 2.8715 2.9612 2.9719 3.0683 3.0738 3.3707 3.3967 3.7753 3.8090 3.8778 3.8955 6.3403 6.3452 7.3231 7.3329 7.7793 7.7889 8.8030 8.8067 k = 0.1853 0.0846 0.6622 ( 18762 PWs) bands (ev): -40.5375 -40.5375 -40.5373 -40.5373 -9.6957 -9.6931 -9.3762 -9.3726 -7.5225 -7.5152 -7.4593 -7.4507 -4.3251 -4.3215 -4.2709 -4.2667 -0.3832 -0.3777 -0.0909 -0.0836 0.5264 0.5500 1.0735 1.0831 1.2476 1.2736 1.6314 1.6403 2.8531 2.8646 2.9618 2.9729 3.0591 3.0637 3.3416 3.3658 3.7742 3.8046 3.9207 3.9377 6.3094 6.3160 7.3772 7.3878 7.7212 7.7278 8.7904 8.7952 k = 0.2038 0.0930 0.6622 ( 18774 PWs) bands (ev): -40.5375 -40.5375 -40.5373 -40.5373 -9.7102 -9.7076 -9.3556 -9.3520 -7.5317 -7.5244 -7.4650 -7.4563 -4.3091 -4.3056 -4.2654 -4.2614 -0.4039 -0.3986 -0.0854 -0.0785 0.5214 0.5450 1.0911 1.1020 1.2248 1.2517 1.6581 1.6664 2.8433 2.8539 2.9602 2.9712 3.0560 3.0601 3.3160 3.3379 3.7643 3.7909 3.9650 3.9811 6.2846 6.2931 7.4299 7.4412 7.6721 7.6753 8.7740 8.7802 k = 0.2223 0.1015 0.6622 ( 18779 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.7248 -9.7223 -9.3344 -9.3307 -7.5406 -7.5333 -7.4711 -7.4624 -4.2909 -4.2875 -4.2619 -4.2579 -0.4241 -0.4190 -0.0784 -0.0720 0.5178 0.5412 1.1049 1.1171 1.2025 1.2298 1.6854 1.6928 2.8298 2.8391 2.9561 2.9668 3.0586 3.0624 3.2950 3.3141 3.7481 3.7713 4.0072 4.0231 6.2663 6.2766 7.4810 7.4931 7.6321 7.6327 8.7547 8.7626 k = 0.2408 0.1099 0.6622 ( 18782 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.7397 -9.7372 -9.3127 -9.3089 -7.5491 -7.5419 -7.4778 -7.4690 -4.2708 -4.2673 -4.2604 -4.2566 -0.4438 -0.4389 -0.0694 -0.0635 0.5150 0.5381 1.1147 1.1282 1.1814 1.2086 1.7130 1.7190 2.8129 2.8203 2.9491 2.9592 3.0660 3.0695 3.2794 3.2951 3.7269 3.7470 4.0458 4.0623 6.2544 6.2666 7.5302 7.5429 7.5989 7.6033 8.7336 8.7430 k = 0.2594 0.1184 0.6622 ( 18779 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.7550 -9.7525 -9.2903 -9.2865 -7.5571 -7.5499 -7.4848 -7.4760 -4.2620 -4.2582 -4.2480 -4.2447 -0.4628 -0.4582 -0.0582 -0.0526 0.5122 0.5349 1.1197 1.1352 1.1625 1.1885 1.7404 1.7448 2.7925 2.7977 2.9390 2.9486 3.0768 3.0797 3.2700 3.2820 3.7019 3.7190 4.0803 4.0978 6.2492 6.2631 7.5717 7.5724 7.5892 7.5950 8.7113 8.7219 k = 0.2779 0.1268 0.6622 ( 18777 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.7705 -9.7681 -9.2674 -9.2635 -7.5644 -7.5572 -7.4921 -7.4833 -4.2656 -4.2620 -4.2238 -4.2206 -0.4812 -0.4767 -0.0445 -0.0390 0.5090 0.5312 1.1186 1.1378 1.1476 1.1701 1.7674 1.7699 2.7691 2.7719 2.9256 2.9348 3.0900 3.0920 3.2677 3.2755 3.6739 3.6881 4.1100 4.1290 6.2504 6.2659 7.5599 7.5718 7.6262 7.6399 8.6880 8.6991 k = 0.2964 0.1353 0.6622 ( 18773 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.7864 -9.7840 -9.2439 -9.2399 -7.5708 -7.5637 -7.4997 -7.4908 -4.2720 -4.2686 -4.1977 -4.1945 -0.4988 -0.4945 -0.0282 -0.0227 0.5050 0.5264 1.1107 1.1356 1.1376 1.1542 1.7938 1.7945 2.7428 2.7432 2.9090 2.9180 3.1043 3.1052 3.2724 3.2761 3.6436 3.6552 4.1346 4.1554 6.2580 6.2747 7.5568 7.5728 7.6695 7.6843 8.6637 8.6745 k = 0.3149 0.1438 0.6622 ( 18772 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.8027 -9.8003 -9.2199 -9.2158 -7.5764 -7.5693 -7.5074 -7.4985 -4.2813 -4.2780 -4.1699 -4.1667 -0.5157 -0.5115 -0.0093 -0.0038 0.4997 0.5204 1.0993 1.1281 1.1293 1.1415 1.8186 1.8198 2.7120 2.7139 2.8893 2.8981 3.1190 3.1192 3.2839 3.2839 3.6119 3.6208 4.1537 4.1767 6.2718 6.2893 7.5638 7.5833 7.7111 7.7268 8.6381 8.6483 k = 0.3335 0.1522 0.6622 ( 18765 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.8194 -9.8170 -9.1953 -9.1912 -7.5809 -7.5738 -7.5152 -7.5063 -4.2934 -4.2902 -4.1404 -4.1373 -0.5317 -0.5277 0.0116 0.0175 0.4932 0.5129 1.0864 1.1152 1.1208 1.1323 1.8425 1.8454 2.6789 2.6829 2.8668 2.8756 3.1333 3.1343 3.2982 3.3013 3.5791 3.5856 4.1675 4.1927 6.2914 6.3093 7.5807 7.6033 7.7503 7.7670 8.6112 8.6207 k = 0.5000 0.2282-0.2361 ( 18776 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3387 -10.3387 -8.2847 -8.2847 -7.7196 -7.7196 -7.6474 -7.6474 -4.5256 -4.5256 -3.0106 -3.0106 -1.1587 -1.1587 -0.9684 -0.9684 0.6306 0.6306 0.9663 0.9663 1.5108 1.5108 1.8515 1.8515 2.3401 2.3401 2.3813 2.3813 2.8457 2.8457 3.1327 3.1327 3.8322 3.8322 3.8802 3.8802 7.3696 7.3696 7.8069 7.8069 8.0475 8.0475 8.4442 8.4442 k = 0.5086 0.2095-0.2361 ( 18780 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3382 -10.3381 -8.2854 -8.2853 -7.7202 -7.7198 -7.6471 -7.6468 -4.5267 -4.5265 -3.0122 -3.0120 -1.1720 -1.1537 -0.9697 -0.9520 0.6300 0.6320 0.9634 0.9666 1.5009 1.5071 1.8572 1.8637 2.3327 2.3452 2.3779 2.3891 2.8456 2.8473 3.1316 3.1336 3.8258 3.8386 3.8740 3.8864 7.3666 7.3699 7.8047 7.8100 8.0472 8.0496 8.4443 8.4474 k = 0.5171 0.1907-0.2361 ( 18788 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3366 -10.3365 -8.2876 -8.2873 -7.7214 -7.7206 -7.6461 -7.6456 -4.5297 -4.5293 -3.0169 -3.0165 -1.1895 -1.1580 -0.9548 -0.9245 0.6300 0.6341 0.9579 0.9645 1.4801 1.4910 1.8793 1.8910 2.3248 2.3456 2.3813 2.3993 2.8473 2.8506 3.1304 3.1344 3.8193 3.8444 3.8683 3.8930 7.3609 7.3675 7.8033 7.8138 8.0488 8.0536 8.4478 8.4539 k = 0.5257 0.1720-0.2361 ( 18792 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3339 -10.3337 -8.2911 -8.2907 -7.7233 -7.7221 -7.6444 -7.6436 -4.5346 -4.5341 -3.0246 -3.0239 -1.2080 -1.1686 -0.9269 -0.8895 0.6306 0.6369 0.9500 0.9600 1.4527 1.4666 1.9136 1.9287 2.3171 2.3425 2.3906 2.4113 2.8508 2.8558 3.1293 3.1351 3.8122 3.8455 3.8672 3.9004 7.3523 7.3619 7.8027 7.8182 8.0522 8.0595 8.4545 8.4636 k = 0.5342 0.1532-0.2361 ( 18780 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3302 -10.3300 -8.2961 -8.2956 -7.7256 -7.7241 -7.6419 -7.6409 -4.5414 -4.5407 -3.0351 -3.0342 -1.2255 -1.1818 -0.8902 -0.8491 0.6314 0.6400 0.9398 0.9535 1.4223 1.4380 1.9552 1.9726 2.3103 2.3388 2.4034 2.4251 2.8563 2.8630 3.1282 3.1359 3.8039 3.8387 3.8739 3.9093 7.3402 7.3525 7.8028 7.8230 8.0572 8.0672 8.4643 8.4763 k = 0.5428 0.1345-0.2361 ( 18784 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3255 -10.3252 -8.3025 -8.3018 -7.7283 -7.7266 -7.6387 -7.6376 -4.5500 -4.5492 -3.0482 -3.0471 -1.2409 -1.1949 -0.8474 -0.8046 0.6322 0.6432 0.9277 0.9452 1.3911 1.4079 2.0000 2.0190 2.3051 2.3366 2.4188 2.4406 2.8642 2.8726 3.1276 3.1369 3.7942 3.8277 3.8846 3.9201 7.3241 7.3387 7.8036 7.8281 8.0637 8.0764 8.4768 8.4915 k = 0.5514 0.1157-0.2361 ( 18780 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3198 -10.3194 -8.3103 -8.3095 -7.7313 -7.7293 -7.6349 -7.6337 -4.5603 -4.5594 -3.0637 -3.0625 -1.2537 -1.2066 -0.8005 -0.7570 0.6324 0.6460 0.9141 0.9357 1.3608 1.3782 2.0440 2.0642 2.3029 2.3378 2.4366 2.4581 2.8749 2.8851 3.1274 3.1383 3.7828 3.8144 3.8974 3.9328 7.3032 7.3196 7.8048 7.8331 8.0715 8.0870 8.4916 8.5089 k = 0.5599 0.0970-0.2361 ( 18784 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3131 -10.3127 -8.3195 -8.3186 -7.7344 -7.7323 -7.6304 -7.6292 -4.5723 -4.5713 -3.0813 -3.0799 -1.2638 -1.2161 -0.7506 -0.7072 0.6316 0.6479 0.8996 0.9256 1.3324 1.3502 2.0830 2.1036 2.3065 2.3445 2.4571 2.4778 2.8889 2.9010 3.1279 3.1403 3.7699 3.7996 3.9117 3.9476 7.2766 7.2942 7.8061 7.8379 8.0803 8.0986 8.5082 8.5278 k = 0.5685 0.0782-0.2361 ( 18778 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3056 -10.3051 -8.3302 -8.3292 -7.7375 -7.7353 -7.6253 -7.6241 -4.5859 -4.5848 -3.1007 -3.0992 -1.2710 -1.2233 -0.6989 -0.6560 0.6290 0.6480 0.8852 0.9155 1.3065 1.3246 2.1126 2.1319 2.3196 2.3594 2.4805 2.5002 2.9070 2.9209 3.1291 3.1428 3.7557 3.7838 3.9274 3.9642 7.2437 7.2617 7.8073 7.8421 8.0900 8.1110 8.5259 8.5474 k = 0.5770 0.0595-0.2361 ( 18788 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.2973 -10.2967 -8.3422 -8.3411 -7.7405 -7.7382 -7.6196 -7.6185 -4.6009 -4.5998 -3.1216 -3.1200 -1.2753 -1.2278 -0.6462 -0.6040 0.6241 0.6455 0.8718 0.9065 1.2837 1.3020 2.1300 2.1458 2.3436 2.3831 2.5075 2.5254 2.9298 2.9455 3.1312 3.1460 3.7407 3.7673 3.9444 3.9825 7.2033 7.2211 7.8080 7.8453 8.1003 8.1239 8.5438 8.5669 k = 0.5856 0.0407-0.2361 ( 18782 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.2882 -10.2876 -8.3555 -8.3543 -7.7433 -7.7410 -7.6134 -7.6123 -4.6174 -4.6161 -3.1436 -3.1419 -1.2767 -1.2298 -0.5936 -0.5523 0.6162 0.6394 0.8609 0.8994 1.2643 1.2828 2.1359 2.1473 2.3755 2.4132 2.5383 2.5537 2.9581 2.9756 3.1340 3.1497 3.7255 3.7509 3.9625 4.0024 7.1549 7.1717 7.8078 7.8471 8.1110 8.1370 8.5608 8.5851 k = 0.5941 0.0220-0.2361 ( 18772 PWs) bands (ev): -40.5378 -40.5378 -40.5370 -40.5370 -10.2785 -10.2779 -8.3700 -8.3687 -7.7458 -7.7435 -7.6065 -7.6056 -4.6350 -4.6337 -3.1665 -3.1647 -1.2754 -1.2292 -0.5420 -0.5017 0.6047 0.6288 0.8537 0.8954 1.2488 1.2672 2.1327 2.1405 2.4104 2.4458 2.5725 2.5847 2.9924 3.0116 3.1374 3.1536 3.7108 3.7352 3.9819 4.0237 7.0979 7.1130 7.8061 7.8472 8.1218 8.1501 8.5757 8.6008 k = 0.6027 0.0032-0.2361 ( 18774 PWs) bands (ev): -40.5378 -40.5378 -40.5370 -40.5370 -10.2683 -10.2676 -8.3855 -8.3841 -7.7480 -7.7457 -7.5992 -7.5984 -4.6539 -4.6525 -3.1898 -3.1879 -1.2714 -1.2261 -0.4925 -0.4533 0.5894 0.6134 0.8514 0.8953 1.2371 1.2554 2.1231 2.1288 2.4452 2.4782 2.6089 2.6177 3.0330 3.0535 3.1413 3.1575 3.6975 3.7210 4.0024 4.0464 7.0318 7.0449 7.8027 7.8450 8.1328 8.1630 8.5871 8.6127 k = 0.6113-0.0155-0.2361 ( 18770 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.2577 -10.2570 -8.4019 -8.4005 -7.7498 -7.7476 -7.5913 -7.5906 -4.6737 -4.6723 -3.2133 -3.2113 -1.2649 -1.2206 -0.4462 -0.4081 0.5701 0.5932 0.8547 0.8998 1.2294 1.2472 2.1090 2.1140 2.4787 2.5095 2.6455 2.6520 3.0785 3.1004 3.1463 3.1613 3.6868 3.7094 4.0242 4.0706 6.9565 6.9676 7.7970 7.8402 8.1438 8.1758 8.5934 8.6193 k = 0.6198-0.0343-0.2361 ( 18774 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.2467 -10.2460 -8.4191 -8.4176 -7.7512 -7.7490 -7.5829 -7.5824 -4.6944 -4.6930 -3.2366 -3.2346 -1.2561 -1.2129 -0.4041 -0.3673 0.5472 0.5689 0.8641 0.9096 1.2254 1.2426 2.0919 2.0969 2.5110 2.5398 2.6807 2.6866 3.1198 3.1434 3.1614 3.1702 3.6797 3.7015 4.0475 4.0964 6.8721 6.8817 7.7888 7.8325 8.1547 8.1885 8.5929 8.6193 k = 0.6284-0.0530-0.2361 ( 18774 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.2356 -10.2348 -8.4367 -8.4352 -7.7521 -7.7501 -7.5741 -7.5737 -4.7159 -4.7145 -3.2594 -3.2573 -1.2451 -1.2031 -0.3674 -0.3317 0.5211 0.5413 0.8798 0.9250 1.2251 1.2412 2.0728 2.0782 2.5426 2.5696 2.7139 2.7208 3.1333 3.1531 3.2040 3.2151 3.6775 3.6985 4.0726 4.1241 6.7792 6.7883 7.7778 7.8217 8.1657 8.2012 8.5842 8.6115 k = 0.6369-0.0718-0.2361 ( 18776 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.2244 -10.2237 -8.4545 -8.4531 -7.7527 -7.7508 -7.5649 -7.5645 -4.7381 -4.7366 -3.2815 -3.2794 -1.2321 -1.1915 -0.3367 -0.3022 0.4922 0.5110 0.9019 0.9462 1.2280 1.2428 2.0525 2.0581 2.5739 2.5993 2.7457 2.7537 3.1319 3.1492 3.2601 3.2714 3.6811 3.7014 4.0998 4.1541 6.6788 6.6887 7.7639 7.8076 8.1765 8.2140 8.5659 8.5948 k = 0.6455-0.0905-0.2361 ( 18782 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.2134 -10.2127 -8.4722 -8.4709 -7.7530 -7.7512 -7.5553 -7.5549 -4.7607 -4.7593 -3.3025 -3.3004 -1.2173 -1.1782 -0.3125 -0.2793 0.4612 0.4789 0.9304 0.9732 1.2339 1.2469 2.0313 2.0371 2.6051 2.6292 2.7762 2.7851 3.1250 3.1400 3.3181 3.3282 3.6910 3.7106 4.1298 4.1867 6.5725 6.5839 7.7472 7.7905 8.1872 8.2270 8.5375 8.5690 k = 0.6541-0.1093-0.2361 ( 18776 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.2027 -10.2020 -8.4897 -8.4884 -7.7529 -7.7512 -7.5454 -7.5448 -4.7837 -4.7823 -3.3223 -3.3201 -1.2009 -1.1634 -0.2950 -0.2631 0.4285 0.4453 0.9651 1.0054 1.2424 1.2531 2.0098 2.0155 2.6367 2.6594 2.8058 2.8154 3.1139 3.1263 3.3741 3.3833 3.7067 3.7258 4.1632 4.2224 6.4622 6.4755 7.7278 7.7705 8.1972 8.2402 8.4990 8.5346 k = 0.6626-0.1280-0.2361 ( 18774 PWs) bands (ev): -40.5377 -40.5377 -40.5371 -40.5371 -10.1925 -10.1918 -8.5065 -8.5053 -7.7526 -7.7509 -7.5352 -7.5344 -4.8070 -4.8055 -3.3406 -3.3384 -1.1833 -1.1475 -0.2839 -0.2534 0.3944 0.4107 1.0052 1.0421 1.2534 1.2613 1.9881 1.9937 2.6685 2.6900 2.8345 2.8447 3.0991 3.1085 3.4263 3.4353 3.7270 3.7457 4.2006 4.2615 6.3501 6.3651 7.7059 7.7480 8.2058 8.2535 8.4516 8.4933 k = 0.6712-0.1468-0.2361 ( 18778 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.1830 -10.1823 -8.5223 -8.5213 -7.7521 -7.7504 -7.5247 -7.5238 -4.8303 -4.8289 -3.3572 -3.3550 -1.1646 -1.1307 -0.2787 -0.2495 0.3595 0.3755 1.0498 1.0818 1.2667 1.2715 1.9667 1.9720 2.7006 2.7208 2.8619 2.8730 3.0818 3.0877 3.4740 3.4835 3.7498 3.7682 4.2422 4.3039 6.2384 6.2546 7.6819 7.7235 8.2113 8.2661 8.3979 8.4486 k = 0.6797-0.1655-0.2361 ( 18758 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.1743 -10.1737 -8.5370 -8.5361 -7.7514 -7.7498 -7.5140 -7.5129 -4.8536 -4.8522 -3.3720 -3.3698 -1.1453 -1.1134 -0.2786 -0.2508 0.3239 0.3399 1.0974 1.1226 1.2807 1.2859 1.9457 1.9508 2.7325 2.7512 2.8872 2.8999 3.0639 3.0657 3.5171 3.5278 3.7728 3.7909 4.2878 4.3491 6.1295 6.1464 7.6561 7.6975 8.2103 8.2747 8.3436 8.4062 k = 0.6883-0.1843-0.2361 ( 18766 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.1666 -10.1661 -8.5501 -8.5494 -7.7507 -7.7489 -7.5032 -7.5018 -4.8767 -4.8753 -3.3848 -3.3826 -1.1256 -1.0960 -0.2826 -0.2561 0.2881 0.3041 1.1458 1.1615 1.2946 1.3071 1.9256 1.9307 2.7634 2.7801 2.9084 2.9243 3.0446 3.0499 3.5554 3.5678 3.7937 3.8114 4.3364 4.3958 6.0259 6.0428 7.6290 7.6706 8.1972 8.2552 8.3156 8.3741 k = 0.3117-0.6829-0.0000 ( 18766 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.1666 -10.1661 -8.5501 -8.5494 -7.7507 -7.7489 -7.5032 -7.5018 -4.8767 -4.8753 -3.3848 -3.3826 -1.1256 -1.0960 -0.2826 -0.2561 0.2881 0.3041 1.1458 1.1615 1.2946 1.3071 1.9256 1.9307 2.7634 2.7801 2.9084 2.9243 3.0446 3.0499 3.5554 3.5678 3.7937 3.8114 4.3364 4.3958 6.0259 6.0428 7.6290 7.6706 8.1972 8.2552 8.3156 8.3741 k = 0.3033-0.6644-0.0000 ( 18758 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.1602 -10.1598 -8.5612 -8.5607 -7.7499 -7.7481 -7.4924 -7.4908 -4.8991 -4.8977 -3.3954 -3.3933 -1.1063 -1.0791 -0.2894 -0.2642 0.2527 0.2690 1.1899 1.1962 1.3112 1.3345 1.9071 1.9125 2.7910 2.8045 2.9223 2.9428 3.0315 3.0443 3.5882 3.6027 3.8109 3.8280 4.3852 4.4414 5.9318 5.9480 7.6015 7.6436 8.1694 8.2032 8.3222 8.3583 k = 0.2949-0.6460-0.0000 ( 18760 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.1552 -10.1548 -8.5704 -8.5701 -7.7490 -7.7471 -7.4815 -7.4798 -4.9210 -4.9197 -3.4039 -3.4018 -1.0874 -1.0630 -0.2981 -0.2743 0.2175 0.2342 1.2188 1.2319 1.3340 1.3684 1.8904 1.8966 2.8115 2.8197 2.9305 2.9524 3.0339 3.0514 3.6155 3.6326 3.8239 3.8403 4.4326 4.4844 5.8484 5.8633 7.5738 7.6167 8.1306 8.1499 8.3352 8.3560 k = 0.2864-0.6275-0.0000 ( 18756 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.1516 -10.1513 -8.5774 -8.5773 -7.7483 -7.7462 -7.4707 -7.4688 -4.9423 -4.9411 -3.4103 -3.4082 -1.0696 -1.0481 -0.3075 -0.2852 0.1827 0.1998 1.2376 1.2595 1.3653 1.4068 1.8765 1.8839 2.8176 2.8195 2.9417 2.9607 3.0513 3.0692 3.6363 3.6567 3.8324 3.8479 4.4760 4.5223 5.7784 5.7918 7.5462 7.5904 8.0871 8.1045 8.3496 8.3619 k = 0.2780-0.6091-0.0000 ( 18752 PWs) bands (ev): -40.5376 -40.5376 -40.5372 -40.5372 -10.1495 -10.1494 -8.5822 -8.5820 -7.7475 -7.7453 -7.4599 -7.4579 -4.9629 -4.9617 -3.4145 -3.4124 -1.0532 -1.0351 -0.3166 -0.2959 0.1484 0.1660 1.2502 1.2768 1.4024 1.4461 1.8667 1.8755 2.8017 2.8073 2.9616 2.9780 3.0761 3.0930 3.6498 3.6737 3.8362 3.8510 4.5127 4.5527 5.7240 5.7367 7.5196 7.5651 8.0464 8.0687 8.3644 8.3720 k = 0.2696-0.5906-0.0000 ( 18744 PWs) bands (ev): -40.5376 -40.5376 -40.5372 -40.5372 -10.1492 -10.1490 -8.5846 -8.5842 -7.7469 -7.7445 -7.4493 -7.4470 -4.9827 -4.9815 -3.4164 -3.4144 -1.0388 -1.0243 -0.3247 -0.3057 0.1148 0.1330 1.2581 1.2871 1.4396 1.4828 1.8628 1.8731 2.7747 2.7831 2.9879 3.0027 3.1036 3.1200 3.6549 3.6828 3.8355 3.8495 4.5405 4.5736 5.6871 5.7008 7.4947 7.5415 8.0144 8.0430 8.3794 8.3844 k = 0.2612-0.5721-0.0000 ( 18728 PWs) bands (ev): -40.5376 -40.5376 -40.5372 -40.5372 -10.1505 -10.1504 -8.5844 -8.5838 -7.7464 -7.7438 -7.4388 -7.4364 -5.0014 -5.0003 -3.4162 -3.4142 -1.0269 -1.0163 -0.3308 -0.3136 0.0821 0.1009 1.2620 1.2925 1.4719 1.5136 1.8665 1.8784 2.7422 2.7520 3.0168 3.0301 3.1321 3.1486 3.6514 3.6835 3.8303 3.8436 4.5581 4.5843 5.6690 5.6854 7.4721 7.5200 7.9939 8.0286 8.3944 8.3982 k = 0.2527-0.5537-0.0000 ( 18725 PWs) bands (ev): -40.5376 -40.5376 -40.5372 -40.5372 -10.1536 -10.1534 -8.5816 -8.5807 -7.7459 -7.7432 -7.4286 -7.4260 -5.0191 -5.0181 -3.4138 -3.4119 -1.0179 -1.0115 -0.3345 -0.3190 0.0505 0.0699 1.2621 1.2939 1.4961 1.5365 1.8793 1.8928 2.7068 2.7173 3.0451 3.0573 3.1603 3.1784 3.6399 3.6762 3.8205 3.8332 4.5650 4.5846 5.6702 5.6902 7.4525 7.5010 7.9865 8.0266 8.4094 8.4127 k = 0.2443-0.5352-0.0000 ( 18735 PWs) bands (ev): -40.5376 -40.5376 -40.5372 -40.5372 -10.1584 -10.1581 -8.5763 -8.5751 -7.7457 -7.7428 -7.4186 -7.4159 -5.0357 -5.0346 -3.4092 -3.4073 -1.0122 -1.0101 -0.3355 -0.3214 0.0201 0.0401 1.2586 1.2916 1.5113 1.5508 1.9016 1.9164 2.6697 2.6809 3.0701 3.0823 3.1878 3.2089 3.6220 3.6619 3.8064 3.8186 4.5617 4.5754 5.6901 5.7137 7.4363 7.4848 7.9929 8.0378 8.4243 8.4277 k = 0.2359-0.5168-0.0000 ( 18739 PWs) bands (ev): -40.5376 -40.5376 -40.5372 -40.5372 -10.1648 -10.1644 -8.5683 -8.5669 -7.7455 -7.7425 -7.4090 -7.4062 -5.0509 -5.0500 -3.4025 -3.4007 -1.0122 -1.0099 -0.3337 -0.3206 -0.0090 0.0118 1.2512 1.2855 1.5182 1.5576 1.9320 1.9480 2.6320 2.6437 3.0890 3.1027 3.2143 3.2399 3.6005 3.6431 3.7880 3.7998 4.5494 4.5578 5.7272 5.7536 7.4235 7.4716 8.0133 8.0623 8.4392 8.4430 k = 0.2275-0.4983-0.0000 ( 18743 PWs) bands (ev): -40.5376 -40.5376 -40.5372 -40.5372 -10.1728 -10.1723 -8.5580 -8.5563 -7.7456 -7.7424 -7.3998 -7.3968 -5.0648 -5.0640 -3.3938 -3.3921 -1.0176 -1.0110 -0.3293 -0.3167 -0.0365 -0.0151 1.2399 1.2752 1.5191 1.5588 1.9683 1.9851 2.5941 2.6065 3.0989 3.1155 3.2403 3.2706 3.5795 3.6228 3.7657 3.7773 4.5294 4.5333 5.7794 5.8078 7.4143 7.4613 8.0475 8.0999 8.4541 8.4588 k = 0.2190-0.4799-0.0000 ( 18745 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.1822 -10.1816 -8.5453 -8.5434 -7.7457 -7.7424 -7.3909 -7.3879 -5.0774 -5.0766 -3.3832 -3.3815 -1.0259 -1.0153 -0.3227 -0.3102 -0.0624 -0.0402 1.2247 1.2606 1.5162 1.5562 2.0082 2.0255 2.5569 2.5701 3.0974 3.1171 3.2660 3.3006 3.5630 3.6046 3.7400 3.7512 4.5028 4.5038 5.8444 5.8739 7.4084 7.4540 8.0943 8.1497 8.4689 8.4748 k = 0.2106-0.4614-0.0000 ( 18739 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.1929 -10.1923 -8.5304 -8.5283 -7.7460 -7.7425 -7.3826 -7.3795 -5.0885 -5.0877 -3.3706 -3.3691 -1.0368 -1.0223 -0.3145 -0.3015 -0.0864 -0.0636 1.2057 1.2419 1.5115 1.5515 2.0494 2.0670 2.5212 2.5351 3.0820 3.1054 3.2913 3.3289 3.5547 3.5920 3.7113 3.7221 4.4690 4.4730 5.9200 5.9500 7.4057 7.4496 8.1526 8.2104 8.4839 8.4911 k = 0.2022-0.4429-0.0000 ( 18745 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.2048 -10.2040 -8.5136 -8.5114 -7.7463 -7.7428 -7.3747 -7.3715 -5.0982 -5.0975 -3.3564 -3.3549 -1.0498 -1.0318 -0.3055 -0.2917 -0.1084 -0.0849 1.1831 1.2192 1.5062 1.5456 2.0897 2.1077 2.4880 2.5027 3.0524 3.0801 3.3154 3.3546 3.5560 3.5871 3.6804 3.6905 4.4324 4.4397 6.0041 6.0341 7.4058 7.4479 8.2203 8.2803 8.4993 8.5079 k = 0.1938-0.4245-0.0000 ( 18745 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.2176 -10.2168 -8.4951 -8.4927 -7.7468 -7.7431 -7.3672 -7.3641 -5.1063 -5.1057 -3.3406 -3.3392 -1.0642 -1.0430 -0.2965 -0.2817 -0.1283 -0.1043 1.1576 1.1931 1.5011 1.5394 2.1268 2.1454 2.4590 2.4745 3.0101 3.0424 3.3374 3.3766 3.5661 3.5897 3.6483 3.6570 4.3950 4.4052 6.0947 6.1241 7.4087 7.4489 8.2953 8.3573 8.5156 8.5251 k = 0.1853-0.4060-0.0000 ( 18757 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.2312 -10.2304 -8.4752 -8.4726 -7.7473 -7.7436 -7.3604 -7.3572 -5.1131 -5.1125 -3.3233 -3.3220 -1.0795 -1.0554 -0.2884 -0.2726 -0.1460 -0.1215 1.1298 1.1647 1.4963 1.5330 2.1576 2.1774 2.4367 2.4530 2.9580 2.9944 3.3561 3.3941 3.5823 3.5926 3.6217 3.6236 4.3586 4.3714 6.1899 6.2183 7.4140 7.4524 8.3746 8.4385 8.5344 8.5428 k = 0.1769-0.3876-0.0000 ( 18755 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.2454 -10.2446 -8.4540 -8.4513 -7.7478 -7.7440 -7.3540 -7.3508 -5.1183 -5.1178 -3.3047 -3.3035 -1.0953 -1.0686 -0.2822 -0.2652 -0.1613 -0.1367 1.1007 1.1348 1.4920 1.5267 2.1784 2.1997 2.4247 2.4414 2.8989 2.9386 3.3702 3.4063 3.5694 3.5801 3.6122 3.6275 4.3246 4.3399 6.2877 6.3148 7.4215 7.4583 8.4531 8.5167 8.5604 8.5645 k = 0.1685-0.3691-0.0000 ( 18749 PWs) bands (ev): -40.5377 -40.5377 -40.5371 -40.5371 -10.2601 -10.2592 -8.4319 -8.4291 -7.7482 -7.7444 -7.3482 -7.3450 -5.1222 -5.1217 -3.2850 -3.2839 -1.1111 -1.0821 -0.2788 -0.2606 -0.1743 -0.1500 1.0716 1.1046 1.4880 1.5205 2.1863 2.2091 2.4262 2.4423 2.8351 2.8770 3.3785 3.4121 3.5364 3.5465 3.6364 3.6479 4.2946 4.3119 6.3862 6.4119 7.4312 7.4665 8.5157 8.5728 8.5858 8.6277 k = 0.1601-0.3507-0.0000 ( 18737 PWs) bands (ev): -40.5377 -40.5377 -40.5371 -40.5371 -10.2751 -10.2742 -8.4092 -8.4063 -7.7486 -7.7448 -7.3429 -7.3397 -5.1247 -5.1242 -3.2644 -3.2634 -1.1265 -1.0953 -0.2790 -0.2595 -0.1849 -0.1615 1.0435 1.0754 1.4841 1.5143 2.1819 2.2055 2.4404 2.4548 2.7686 2.8117 3.3790 3.4099 3.5053 3.5132 3.6650 3.6727 4.2694 4.2886 6.4835 6.5077 7.4428 7.4766 8.5484 8.5964 8.6529 8.7097 k = 0.1516-0.3322-0.0000 ( 18749 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.2902 -10.2893 -8.3860 -8.3831 -7.7489 -7.7450 -7.3381 -7.3350 -5.1260 -5.1254 -3.2430 -3.2421 -1.1411 -1.1080 -0.2835 -0.2627 -0.1932 -0.1714 1.0178 1.0483 1.4800 1.5078 2.1687 2.1928 2.4622 2.4743 2.7017 2.7448 3.3694 3.3968 3.4805 3.4848 3.6948 3.7002 4.2499 4.2704 6.5779 6.6005 7.4561 7.4885 8.5685 8.6157 8.7308 8.7916 k = 0.1432-0.3138-0.0000 ( 18757 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.3052 -10.3044 -8.3627 -8.3598 -7.7490 -7.7451 -7.3339 -7.3308 -5.1260 -5.1254 -3.2211 -3.2203 -1.1545 -1.1196 -0.2934 -0.2709 -0.1992 -0.1792 0.9954 1.0244 1.4755 1.5008 2.1507 2.1753 2.4845 2.4928 2.6393 2.6798 3.3483 3.3720 3.4639 3.4642 3.7250 3.7293 4.2360 4.2576 6.6676 6.6887 7.4709 7.5020 8.5850 8.6344 8.8071 8.8692 k = 0.1348-0.2953-0.0000 ( 18765 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.3202 -10.3193 -8.3396 -8.3367 -7.7488 -7.7450 -7.3301 -7.3271 -5.1249 -5.1243 -3.1989 -3.1981 -1.1666 -1.1301 -0.3096 -0.2850 -0.2027 -0.1842 0.9773 1.0044 1.4701 1.4929 2.1306 2.1558 2.4890 2.4983 2.5980 2.6264 3.3182 3.3395 3.4503 3.4525 3.7548 3.7593 4.2276 4.2498 6.7509 6.7707 7.4869 7.5167 8.5999 8.6521 8.8787 8.9409 k = 0.1264-0.2768-0.0000 ( 18751 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.3348 -10.3339 -8.3169 -8.3141 -7.7484 -7.7446 -7.3269 -7.3240 -5.1229 -5.1222 -3.1765 -3.1759 -1.1770 -1.1389 -0.3326 -0.3056 -0.2036 -0.1857 0.9639 0.9889 1.4635 1.4837 2.1100 2.1356 2.4480 2.4759 2.5966 2.6070 3.2835 3.3038 3.4400 3.4430 3.7842 3.7894 4.2241 4.2465 6.8266 6.8453 7.5039 7.5324 8.6134 8.6681 8.9450 9.0062 k = 0.1179-0.2584-0.0000 ( 18753 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.3489 -10.3481 -8.2948 -8.2921 -7.7476 -7.7439 -7.3241 -7.3213 -5.1199 -5.1192 -3.1544 -3.1537 -1.1854 -1.1460 -0.3622 -0.3329 -0.2015 -0.1836 0.9555 0.9781 1.4552 1.4727 2.0897 2.1154 2.3882 2.4233 2.6130 2.6187 3.2476 3.2677 3.4313 3.4342 3.8129 3.8188 4.2247 4.2470 6.8936 6.9115 7.5215 7.5486 8.6254 8.6818 9.0062 9.0659 k = 0.1095-0.2399-0.0000 ( 18757 PWs) bands (ev): -40.5378 -40.5378 -40.5370 -40.5370 -10.3626 -10.3618 -8.2736 -8.2710 -7.7466 -7.7430 -7.3217 -7.3190 -5.1162 -5.1155 -3.1325 -3.1319 -1.1917 -1.1510 -0.3980 -0.3663 -0.1964 -0.1781 0.9519 0.9719 1.4447 1.4594 2.0697 2.0950 2.3270 2.3632 2.6325 2.6377 3.2126 3.2329 3.4233 3.4259 3.8409 3.8474 4.2286 4.2506 6.9515 6.9687 7.5394 7.5650 8.6358 8.6925 9.0632 9.1213 k = 0.1011-0.2215-0.0000 ( 18755 PWs) bands (ev): -40.5378 -40.5378 -40.5370 -40.5370 -10.3756 -10.3749 -8.2534 -8.2509 -7.7451 -7.7417 -7.3198 -7.3172 -5.1119 -5.1112 -3.1113 -3.1107 -1.1957 -1.1538 -0.4389 -0.4051 -0.1884 -0.1697 0.9525 0.9698 1.4314 1.4432 2.0497 2.0738 2.2703 2.3049 2.6502 2.6554 3.1801 3.2010 3.4157 3.4184 3.8678 3.8746 4.2351 4.2564 7.0000 7.0165 7.5571 7.5812 8.6444 8.6999 9.1173 9.1740 k = 0.0927-0.2030-0.0000 ( 18751 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3879 -10.3872 -8.2345 -8.2322 -7.7434 -7.7400 -7.3182 -7.3158 -5.1071 -5.1064 -3.0908 -3.0902 -1.1970 -1.1541 -0.4840 -0.4482 -0.1775 -0.1587 0.9568 0.9713 1.4148 1.4237 2.0292 2.0504 2.2216 2.2526 2.6638 2.6691 3.1515 3.1729 3.4084 3.4117 3.8934 3.9004 4.2434 4.2638 7.0396 7.0553 7.5744 7.5967 8.6513 8.7041 9.1693 9.2253 k = 0.0842-0.1846-0.0000 ( 18761 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3993 -10.3987 -8.2171 -8.2149 -7.7412 -7.7381 -7.3169 -7.3147 -5.1021 -5.1014 -3.0714 -3.0708 -1.1957 -1.1517 -0.5323 -0.4947 -0.1642 -0.1455 0.9641 0.9757 1.3948 1.4006 2.0073 2.0236 2.1838 2.2090 2.6719 2.6775 3.1279 3.1497 3.4017 3.4058 3.9175 3.9246 4.2529 4.2721 7.0709 7.0856 7.5908 7.6112 8.6565 8.7055 9.2199 9.2755 k = 0.0758-0.1661-0.0000 ( 18761 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4099 -10.4094 -8.2011 -8.1992 -7.7388 -7.7359 -7.3160 -7.3139 -5.0969 -5.0962 -3.0531 -3.0525 -1.1915 -1.1466 -0.5826 -0.5434 -0.1487 -0.1303 0.9733 0.9820 1.3711 1.3740 1.9836 1.9939 2.1573 2.1757 2.6740 2.6799 3.1100 3.1318 3.3958 3.4008 3.9400 3.9468 4.2629 4.2808 7.0948 7.1083 7.6061 7.6245 8.6604 8.7048 9.2689 9.3243 k = 0.0674-0.1476-0.0000 ( 18761 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4196 -10.4190 -8.1868 -8.1851 -7.7362 -7.7335 -7.3152 -7.3134 -5.0917 -5.0910 -3.0363 -3.0357 -1.1842 -1.1386 -0.6342 -0.5934 -0.1315 -0.1137 0.9838 0.9897 1.3438 1.3445 1.9587 1.9635 2.1404 2.1528 2.6703 2.6765 3.0980 3.1193 3.3908 3.3964 3.9606 3.9671 4.2730 4.2894 7.1122 7.1245 7.6201 7.6364 8.6633 8.7025 9.3159 9.3707 k = 0.0590-0.1292-0.0000 ( 18759 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4282 -10.4277 -8.1742 -8.1727 -7.7335 -7.7311 -7.3147 -7.3131 -5.0866 -5.0860 -3.0210 -3.0204 -1.1737 -1.1274 -0.6860 -0.6439 -0.1131 -0.0962 0.9944 0.9981 1.3120 1.3149 1.9340 1.9349 2.1304 2.1387 2.6618 2.6679 3.0913 3.1115 3.3868 3.3927 3.9792 3.9853 4.2829 4.2976 7.1245 7.1353 7.6326 7.6469 8.6654 8.6993 9.3597 9.4123 k = 0.0505-0.1107-0.0000 ( 18765 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4357 -10.4353 -8.1633 -8.1620 -7.7307 -7.7286 -7.3144 -7.3129 -5.0819 -5.0814 -3.0074 -3.0068 -1.1600 -1.1131 -0.7374 -0.6940 -0.0942 -0.0786 1.0039 1.0072 1.2792 1.2845 1.9098 1.9114 2.1251 2.1314 2.6497 2.6556 3.0890 3.1075 3.3836 3.3896 3.9958 4.0012 4.2922 4.3051 7.1326 7.1419 7.6437 7.6559 8.6671 8.6956 9.3979 9.4446 k = 0.0421-0.0923-0.0000 ( 18759 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4422 -10.4419 -8.1541 -8.1530 -7.7281 -7.7263 -7.3142 -7.3129 -5.0777 -5.0772 -2.9956 -2.9951 -1.1428 -1.0955 -0.7876 -0.7432 -0.0755 -0.0616 1.0116 1.0165 1.2474 1.2547 1.8889 1.8916 2.1231 2.1286 2.6358 2.6413 3.0897 3.1059 3.3813 3.3870 4.0100 4.0148 4.3006 4.3115 7.1376 7.1453 7.6533 7.6633 8.6685 8.6918 9.4260 9.4597 k = 0.0337-0.0738-0.0000 ( 18749 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4475 -10.4473 -8.1466 -8.1457 -7.7257 -7.7242 -7.3140 -7.3130 -5.0740 -5.0736 -2.9858 -2.9854 -1.1222 -1.0746 -0.8361 -0.7907 -0.0579 -0.0461 1.0178 1.0244 1.2186 1.2272 1.8724 1.8754 2.1235 2.1284 2.6218 2.6266 3.0922 3.1058 3.3797 3.3849 4.0220 4.0259 4.3079 4.3168 7.1404 7.1466 7.6613 7.6693 8.6699 8.6882 9.4380 9.4563 k = 0.0253-0.0554-0.0000 ( 18759 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4517 -10.4515 -8.1408 -8.1401 -7.7236 -7.7225 -7.3139 -7.3132 -5.0710 -5.0707 -2.9781 -2.9778 -1.0981 -1.0503 -0.8824 -0.8363 -0.0424 -0.0331 1.0226 1.0300 1.1949 1.2037 1.8601 1.8627 2.1253 2.1294 2.6093 2.6131 3.0956 3.1062 3.3788 3.3831 4.0315 4.0345 4.3141 4.3208 7.1419 7.1465 7.6677 7.6737 8.6713 8.6848 9.4361 9.4453 k = 0.0168-0.0369-0.0000 ( 18749 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4547 -10.4545 -8.1366 -8.1362 -7.7220 -7.7212 -7.3138 -7.3133 -5.0688 -5.0686 -2.9725 -2.9723 -1.0705 -1.0226 -0.9262 -0.8794 -0.0300 -0.0235 1.0264 1.0329 1.1779 1.1853 1.8517 1.8536 2.1276 2.1306 2.5996 2.6022 3.0991 3.1063 3.3786 3.3815 4.0384 4.0405 4.3189 4.3234 7.1427 7.1458 7.6727 7.6766 8.6728 8.6817 9.4299 9.4346 k = 0.0084-0.0185-0.0000 ( 18743 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4565 -10.4564 -8.1341 -8.1339 -7.7209 -7.7205 -7.3137 -7.3135 -5.0674 -5.0673 -2.9691 -2.9690 -1.0394 -0.9917 -0.9671 -0.9198 -0.0214 -0.0181 1.0293 1.0333 1.1687 1.1730 1.8470 1.8480 2.1298 2.1313 2.5936 2.5949 3.1022 3.1058 3.3788 3.3803 4.0429 4.0439 4.3223 4.3245 7.1433 7.1448 7.6760 7.6780 8.6746 8.6790 9.4251 9.4271 k = 0.0000 0.0000 0.0000 ( 18763 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4570 -10.4570 -8.1332 -8.1332 -7.7204 -7.7204 -7.3136 -7.3136 -5.0669 -5.0669 -2.9679 -2.9679 -1.0050 -1.0050 -0.9573 -0.9573 -0.0174 -0.0174 1.0318 1.0318 1.1673 1.1673 1.8458 1.8458 2.1311 2.1311 2.5920 2.5920 3.1044 3.1044 3.3794 3.3794 4.0447 4.0447 4.3242 4.3242 7.1440 7.1440 7.6778 7.6778 8.6766 8.6766 9.4240 9.4240 k = 0.0000 0.0000 0.0000 ( 18763 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4570 -10.4570 -8.1332 -8.1332 -7.7204 -7.7204 -7.3136 -7.3136 -5.0669 -5.0669 -2.9679 -2.9679 -1.0050 -1.0050 -0.9573 -0.9573 -0.0174 -0.0174 1.0318 1.0318 1.1673 1.1673 1.8458 1.8458 2.1311 2.1311 2.5920 2.5920 3.1044 3.1044 3.3794 3.3794 4.0447 4.0447 4.3242 4.3242 7.1440 7.1440 7.6778 7.6778 8.6766 8.6766 9.4240 9.4240 k = 0.0152-0.0131-0.0036 ( 18749 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4565 -10.4565 -8.1340 -8.1338 -7.7208 -7.7205 -7.3139 -7.3137 -5.0670 -5.0669 -2.9689 -2.9688 -1.0362 -0.9885 -0.9711 -0.9238 -0.0203 -0.0172 1.0296 1.0332 1.1682 1.1721 1.8470 1.8479 2.1303 2.1318 2.5929 2.5942 3.1017 3.1050 3.3786 3.3800 4.0429 4.0440 4.3221 4.3242 7.1435 7.1449 7.6778 7.6797 8.6748 8.6788 9.4247 9.4268 k = 0.0303-0.0263-0.0072 ( 18751 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4549 -10.4548 -8.1364 -8.1360 -7.7217 -7.7210 -7.3146 -7.3141 -5.0673 -5.0671 -2.9718 -2.9715 -1.0649 -1.0170 -0.9350 -0.8881 -0.0257 -0.0197 1.0270 1.0334 1.1752 1.1822 1.8515 1.8533 2.1297 2.1324 2.5969 2.5994 3.0970 3.1035 3.3777 3.3805 4.0387 4.0408 4.3181 4.3222 7.1436 7.1464 7.6798 7.6835 8.6733 8.6814 9.4281 9.4331 k = 0.0455-0.0394-0.0107 ( 18752 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4522 -10.4520 -8.1402 -8.1396 -7.7231 -7.7221 -7.3156 -7.3149 -5.0677 -5.0673 -2.9765 -2.9761 -1.0909 -1.0430 -0.8967 -0.8503 -0.0333 -0.0246 1.0239 1.0316 1.1884 1.1972 1.8595 1.8619 2.1295 2.1334 2.6035 2.6072 3.0906 3.1001 3.3767 3.3808 4.0320 4.0352 4.3121 4.3183 7.1438 7.1480 7.6837 7.6892 8.6721 8.6843 9.4318 9.4413 k = 0.0606-0.0526-0.0143 ( 18757 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4484 -10.4481 -8.1455 -8.1448 -7.7248 -7.7235 -7.3170 -7.3161 -5.0682 -5.0677 -2.9830 -2.9825 -1.1142 -1.0665 -0.8563 -0.8106 -0.0425 -0.0313 1.0200 1.0276 1.2073 1.2166 1.8712 1.8740 2.1302 2.1349 2.6119 2.6166 3.0830 3.0954 3.3758 3.3809 4.0229 4.0271 4.3044 4.3125 7.1440 7.1496 7.6894 7.6969 8.6711 8.6877 9.4297 9.4476 k = 0.0758-0.0657-0.0179 ( 18754 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4435 -10.4432 -8.1524 -8.1514 -7.7269 -7.7252 -7.3187 -7.3176 -5.0687 -5.0681 -2.9914 -2.9908 -1.1349 -1.0874 -0.8142 -0.7692 -0.0524 -0.0391 1.0149 1.0217 1.2308 1.2395 1.8866 1.8895 2.1322 2.1375 2.6213 2.6267 3.0752 3.0901 3.3749 3.3809 4.0114 4.0166 4.2949 4.3051 7.1436 7.1506 7.6970 7.7063 8.6703 8.6915 9.4137 9.4444 k = 0.0909-0.0788-0.0215 ( 18755 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4376 -10.4372 -8.1608 -8.1596 -7.7292 -7.7272 -7.3208 -7.3194 -5.0693 -5.0686 -3.0015 -3.0008 -1.1529 -1.1057 -0.7706 -0.7265 -0.0625 -0.0474 1.0086 1.0142 1.2574 1.2650 1.9060 1.9084 2.1361 2.1419 2.6304 2.6363 3.0681 3.0852 3.3743 3.3808 3.9976 4.0037 4.2841 4.2961 7.1420 7.1503 7.7063 7.7175 8.6696 8.6956 9.3825 9.4241 k = 0.1061-0.0920-0.0250 ( 18758 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4307 -10.4303 -8.1708 -8.1694 -7.7316 -7.7294 -7.3232 -7.3217 -5.0698 -5.0690 -3.0134 -3.0126 -1.1683 -1.1215 -0.7259 -0.6828 -0.0720 -0.0554 1.0010 1.0058 1.2856 1.2917 1.9292 1.9306 2.1424 2.1489 2.6379 2.6439 3.0629 3.0816 3.3739 3.3810 3.9815 3.9884 4.2719 4.2859 7.1385 7.1480 7.7174 7.7303 8.6690 8.6999 9.3414 9.3889 k = 0.1212-0.1051-0.0286 ( 18770 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4228 -10.4223 -8.1823 -8.1807 -7.7342 -7.7317 -7.3260 -7.3242 -5.0703 -5.0694 -3.0269 -3.0261 -1.1812 -1.1348 -0.6804 -0.6384 -0.0803 -0.0625 0.9921 0.9972 1.3139 1.3186 1.9548 1.9568 2.1515 2.1599 2.6425 2.6482 3.0609 3.0805 3.3742 3.3816 3.9632 3.9709 4.2588 4.2747 7.1323 7.1429 7.7301 7.7449 8.6682 8.7043 9.2949 9.3449 k = 0.1364-0.1183-0.0322 ( 18770 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4139 -10.4134 -8.1953 -8.1935 -7.7367 -7.7339 -7.3290 -7.3271 -5.0706 -5.0697 -3.0420 -3.0411 -1.1915 -1.1457 -0.6347 -0.5938 -0.0868 -0.0680 0.9822 0.9887 1.3410 1.3446 1.9814 1.9868 2.1641 2.1757 2.6431 2.6482 3.0631 3.0829 3.3754 3.3829 3.9427 3.9511 4.2450 4.2627 7.1224 7.1340 7.7444 7.7610 8.6672 8.7084 9.2452 9.2963 k = 0.1515-0.1314-0.0358 ( 18764 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4042 -10.4036 -8.2098 -8.2079 -7.7390 -7.7361 -7.3324 -7.3303 -5.0708 -5.0698 -3.0586 -3.0577 -1.1994 -1.1543 -0.5891 -0.5495 -0.0909 -0.0716 0.9722 0.9806 1.3657 1.3692 2.0085 2.0185 2.1813 2.1974 2.6393 2.6435 3.0701 3.0893 3.3778 3.3854 3.9202 3.9292 4.2308 4.2502 7.1079 7.1203 7.7603 7.7787 8.6657 8.7119 9.1938 9.2452 k = 0.1667-0.1445-0.0394 ( 18764 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3936 -10.3930 -8.2257 -8.2236 -7.7413 -7.7382 -7.3361 -7.3338 -5.0707 -5.0697 -3.0767 -3.0757 -1.2050 -1.1606 -0.5443 -0.5062 -0.0923 -0.0727 0.9626 0.9731 1.3873 1.3918 2.0349 2.0501 2.2041 2.2250 2.6311 2.6350 3.0817 3.0996 3.3818 3.3897 3.8957 3.9053 4.2164 4.2375 7.0878 7.1008 7.7780 7.7981 8.6634 8.7143 9.1415 9.1932 k = 0.1818-0.1577-0.0429 ( 18767 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3823 -10.3816 -8.2429 -8.2407 -7.7433 -7.7400 -7.3400 -7.3376 -5.0705 -5.0694 -3.0959 -3.0950 -1.2083 -1.1647 -0.5009 -0.4643 -0.0907 -0.0710 0.9540 0.9665 1.4057 1.4117 2.0598 2.0796 2.2330 2.2577 2.6193 2.6246 3.0972 3.1134 3.3881 3.3963 3.8694 3.8795 4.2023 4.2251 7.0613 7.0747 7.7973 7.8191 8.6601 8.7150 9.0891 9.1412 k = 0.1970-0.1708-0.0465 ( 18765 PWs) bands (ev): -40.5378 -40.5378 -40.5370 -40.5370 -10.3702 -10.3695 -8.2613 -8.2590 -7.7450 -7.7416 -7.3441 -7.3416 -5.0699 -5.0688 -3.1163 -3.1154 -1.2095 -1.1669 -0.4596 -0.4246 -0.0856 -0.0661 0.9468 0.9613 1.4209 1.4285 2.0829 2.1061 2.2666 2.2926 2.6065 2.6151 3.1156 3.1299 3.3969 3.4059 3.8414 3.8518 4.1888 4.2132 7.0275 7.0411 7.8184 7.8420 8.6554 8.7134 9.0366 9.0897 k = 0.2121-0.1839-0.0501 ( 18767 PWs) bands (ev): -40.5378 -40.5378 -40.5370 -40.5370 -10.3575 -10.3568 -8.2809 -8.2785 -7.7464 -7.7429 -7.3485 -7.3459 -5.0690 -5.0679 -3.1377 -3.1367 -1.2088 -1.1670 -0.4211 -0.3878 -0.0770 -0.0579 0.9415 0.9578 1.4330 1.4421 2.1041 2.1291 2.3015 2.3253 2.5967 2.6106 3.1356 3.1483 3.4088 3.4190 3.8117 3.8226 4.1764 4.2022 6.9860 6.9997 7.8414 7.8667 8.6491 8.7091 8.9842 9.0387 k = 0.2273-0.1971-0.0537 ( 18766 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.3443 -10.3435 -8.3014 -8.2989 -7.7475 -7.7439 -7.3530 -7.3503 -5.0678 -5.0667 -3.1598 -3.1589 -1.2061 -1.1654 -0.3861 -0.3546 -0.0645 -0.0461 0.9385 0.9565 1.4422 1.4526 2.1231 2.1488 2.3324 2.3503 2.5951 2.6163 3.1564 3.1681 3.4239 3.4358 3.7807 3.7920 4.1654 4.1926 6.9363 6.9502 7.8662 7.8933 8.6410 8.7016 8.9316 8.9881 k = 0.2424-0.2102-0.0572 ( 18753 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.3305 -10.3297 -8.3227 -8.3201 -7.7482 -7.7446 -7.3576 -7.3549 -5.0663 -5.0652 -3.1825 -3.1816 -1.2017 -1.1622 -0.3553 -0.3255 -0.0481 -0.0304 0.9381 0.9573 1.4487 1.4601 2.1389 2.1644 2.3540 2.3648 2.6065 2.6361 3.1774 3.1892 3.4422 3.4561 3.7485 3.7604 4.1564 4.1850 6.8785 6.8927 7.8929 7.9220 8.6311 8.6909 8.8784 8.9371 k = 0.2576-0.2234-0.0608 ( 18755 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.3164 -10.3156 -8.3445 -8.3419 -7.7487 -7.7451 -7.3624 -7.3596 -5.0644 -5.0634 -3.2057 -3.2048 -1.1957 -1.1574 -0.3292 -0.3011 -0.0278 -0.0107 0.9404 0.9606 1.4525 1.4647 2.1497 2.1743 2.3647 2.3727 2.6323 2.6688 3.1987 3.2115 3.4631 3.4792 3.7157 3.7282 4.1500 4.1797 6.8129 6.8276 7.9214 7.9526 8.6190 8.6771 8.8243 8.8853 k = 0.2727-0.2365-0.0644 ( 18756 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.3021 -10.3013 -8.3668 -8.3642 -7.7488 -7.7452 -7.3672 -7.3643 -5.0622 -5.0612 -3.2289 -3.2280 -1.1883 -1.1512 -0.3080 -0.2815 -0.0038 0.0129 0.9452 0.9659 1.4539 1.4668 2.1530 2.1758 2.3697 2.3807 2.6689 2.7097 3.2211 3.2352 3.4854 3.5037 3.6828 3.6963 4.1467 4.1774 6.7401 6.7557 7.9515 7.9852 8.6042 8.6600 8.7699 8.8325 k = 0.2879-0.2496-0.0680 ( 18758 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.2876 -10.2868 -8.3892 -8.3866 -7.7487 -7.7451 -7.3720 -7.3691 -5.0598 -5.0588 -3.2521 -3.2513 -1.1795 -1.1438 -0.2920 -0.2668 0.0237 0.0402 0.9523 0.9731 1.4534 1.4668 2.1467 2.1673 2.3783 2.3924 2.7108 2.7537 3.2450 3.2603 3.5067 3.5273 3.6516 3.6664 4.1473 4.1788 6.6610 6.6778 7.9830 8.0197 8.5850 8.6386 8.7173 8.7798 k = 0.3030-0.2628-0.0716 ( 18764 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.2732 -10.2723 -8.4116 -8.4090 -7.7483 -7.7448 -7.3767 -7.3739 -5.0570 -5.0561 -3.2751 -3.2742 -1.1697 -1.1355 -0.2806 -0.2567 0.0544 0.0709 0.9610 0.9813 1.4512 1.4651 2.1307 2.1493 2.3940 2.4101 2.7542 2.7975 3.2707 3.2867 3.5227 3.5439 3.6277 3.6428 4.1525 4.1843 6.5768 6.5949 8.0153 8.0559 8.5572 8.6100 8.6718 8.7304 k = 0.3182-0.2759-0.0751 ( 18764 PWs) bands (ev): -40.5377 -40.5377 -40.5371 -40.5371 -10.2588 -10.2580 -8.4336 -8.4311 -7.7477 -7.7443 -7.3814 -7.3786 -5.0541 -5.0532 -3.2975 -3.2967 -1.1589 -1.1263 -0.2737 -0.2510 0.0879 0.1045 0.9704 0.9896 1.4481 1.4626 2.1070 2.1242 2.4166 2.4337 2.7963 2.8387 3.2974 3.3136 3.5251 3.5410 3.6225 3.6345 4.1628 4.1945 6.4888 6.5082 8.0477 8.0934 8.5147 8.5721 8.6380 8.6903 k = 0.3333-0.2891-0.0787 ( 18756 PWs) bands (ev): -40.5377 -40.5377 -40.5371 -40.5371 -10.2448 -10.2440 -8.4551 -8.4528 -7.7469 -7.7437 -7.3859 -7.3833 -5.0510 -5.0502 -3.3192 -3.3183 -1.1474 -1.1165 -0.2705 -0.2490 0.1241 0.1407 0.9793 0.9966 1.4449 1.4605 2.0777 2.0943 2.4446 2.4620 2.8358 2.8764 3.3235 3.3390 3.5106 3.5211 3.6338 3.6467 4.1785 4.2096 6.3985 6.4190 8.0790 8.1316 8.4586 8.5256 8.6146 8.6627 k = 0.3485-0.3022-0.0823 ( 18759 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.2312 -10.2304 -8.4759 -8.4736 -7.7460 -7.7429 -7.3902 -7.3877 -5.0479 -5.0471 -3.3399 -3.3391 -1.1353 -1.1063 -0.2706 -0.2504 0.1624 0.1788 0.9860 1.0010 1.4429 1.4599 2.0450 2.0616 2.4766 2.4940 2.8719 2.9100 3.3448 3.3589 3.4889 3.5002 3.6522 3.6689 4.1997 4.2295 6.3073 6.3287 8.1068 8.1696 8.3962 8.4745 8.5983 8.6450 k = 0.3636-0.3153-0.0859 ( 18757 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.2182 -10.2174 -8.4956 -8.4935 -7.7450 -7.7421 -7.3943 -7.3920 -5.0447 -5.0440 -3.3594 -3.3586 -1.1229 -1.0960 -0.2731 -0.2543 0.2026 0.2187 0.9891 1.0013 1.4435 1.4623 2.0100 2.0271 2.5116 2.5287 2.9042 2.9393 3.3546 3.3661 3.4733 3.4877 3.6744 3.6941 4.2257 4.2539 6.2168 6.2387 8.1271 8.2037 8.3350 8.4268 8.5869 8.6336 k = 0.3788-0.3285-0.0894 ( 18761 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.2059 -10.2052 -8.5140 -8.5121 -7.7439 -7.7413 -7.3981 -7.3959 -5.0415 -5.0409 -3.3775 -3.3768 -1.1105 -1.0858 -0.2776 -0.2603 0.2441 0.2597 0.9871 0.9963 1.4479 1.4687 1.9738 1.9915 2.5488 2.5655 2.9321 2.9641 3.3478 3.3560 3.4719 3.4874 3.6990 3.7207 4.2557 4.2817 6.1287 6.1507 8.1333 8.2158 8.2953 8.3921 8.5792 8.6267 k = 0.3939-0.3416-0.0930 ( 18760 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.1946 -10.1940 -8.5309 -8.5292 -7.7429 -7.7404 -7.4016 -7.3996 -5.0385 -5.0379 -3.3940 -3.3933 -1.0984 -1.0760 -0.2833 -0.2676 0.2866 0.3015 0.9791 0.9855 1.4572 1.4798 1.9367 1.9552 2.5877 2.6039 2.9549 2.9836 3.3292 3.3344 3.4799 3.4943 3.7259 3.7484 4.2881 4.3115 6.0446 6.0662 8.1197 8.1763 8.3076 8.3780 8.5750 8.6236 k = 0.4091-0.3548-0.0966 ( 18759 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.1844 -10.1838 -8.5461 -8.5446 -7.7418 -7.7397 -7.4047 -7.4029 -5.0357 -5.0352 -3.4087 -3.4081 -1.0867 -1.0670 -0.2896 -0.2757 0.3293 0.3433 0.9652 0.9691 1.4718 1.4957 1.8994 1.9187 2.6278 2.6434 2.9712 2.9968 3.3069 3.3101 3.4894 3.5018 3.7544 3.7765 4.3213 4.3419 5.9664 5.9869 8.0891 8.1216 8.3359 8.3826 8.5747 8.6242 k = 0.4242-0.3679-0.1002 ( 18758 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.1754 -10.1749 -8.5594 -8.5580 -7.7408 -7.7390 -7.4074 -7.4059 -5.0332 -5.0327 -3.4214 -3.4209 -1.0759 -1.0590 -0.2959 -0.2840 0.3715 0.3843 0.9460 0.9481 1.4912 1.5159 1.8623 1.8822 2.6685 2.6836 2.9794 3.0021 3.2863 3.2887 3.4966 3.5069 3.7835 3.8041 4.3537 4.3712 5.8960 5.9147 8.0508 8.0693 8.3628 8.3968 8.5792 8.6279 k = 0.4394-0.3810-0.1038 ( 18754 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.1679 -10.1674 -8.5704 -8.5694 -7.7399 -7.7384 -7.4096 -7.4083 -5.0310 -5.0306 -3.4320 -3.4316 -1.0661 -1.0523 -0.3016 -0.2919 0.4120 0.4233 0.9230 0.9245 1.5147 1.5394 1.8258 1.8461 2.7095 2.7241 2.9780 2.9980 3.2705 3.2729 3.5011 3.5092 3.8115 3.8295 4.3833 4.3976 5.8353 5.8515 8.0126 8.0234 8.3854 8.4124 8.5888 8.6342 k = 0.4545-0.3942-0.1073 ( 18754 PWs) bands (ev): -40.5376 -40.5376 -40.5372 -40.5372 -10.1618 -10.1615 -8.5792 -8.5784 -7.7391 -7.7380 -7.4113 -7.4103 -5.0292 -5.0290 -3.4404 -3.4401 -1.0577 -1.0472 -0.3064 -0.2989 0.4490 0.4585 0.8987 0.9005 1.5410 1.5646 1.7910 1.8110 2.7500 2.7640 2.9668 2.9843 3.2607 3.2632 3.5032 3.5093 3.8365 3.8510 4.4087 4.4196 5.7861 5.7991 7.9794 7.9858 8.4034 8.4244 8.6030 8.6413 k = 0.4697-0.4073-0.1109 ( 18745 PWs) bands (ev): -40.5376 -40.5376 -40.5372 -40.5372 -10.1574 -10.1572 -8.5855 -8.5850 -7.7384 -7.7377 -7.4125 -7.4118 -5.0279 -5.0277 -3.4464 -3.4462 -1.0510 -1.0439 -0.3097 -0.3046 0.4802 0.4872 0.8769 0.8787 1.5682 1.5889 1.7600 1.7781 2.7890 2.8021 2.9477 2.9627 3.2563 3.2583 3.5041 3.5082 3.8568 3.8669 4.4285 4.4358 5.7503 5.7594 7.9542 7.9579 8.4168 8.4313 8.6192 8.6470 k = 0.4848-0.4204-0.1145 ( 18747 PWs) bands (ev): -40.5376 -40.5376 -40.5372 -40.5372 -10.1547 -10.1546 -8.5893 -8.5891 -7.7380 -7.7376 -7.4131 -7.4128 -5.0271 -5.0270 -3.4501 -3.4499 -1.0462 -1.0426 -0.3112 -0.3087 0.5022 0.5059 0.8615 0.8627 1.5932 1.6069 1.7379 1.7502 2.8239 2.8343 2.9260 2.9373 3.2551 3.2563 3.5046 3.5066 3.8707 3.8760 4.4415 4.4452 5.7292 5.7339 7.9387 7.9404 8.4261 8.4335 8.6341 8.6487 k = 0.5000-0.4336-0.1181 ( 18748 PWs) bands (ev): -40.5376 -40.5376 -40.5372 -40.5372 -10.1538 -10.1538 -8.5905 -8.5905 -7.7377 -7.7377 -7.4133 -7.4133 -5.0268 -5.0268 -3.4512 -3.4512 -1.0433 -1.0433 -0.3109 -0.3109 0.5113 0.5113 0.8563 0.8563 1.6091 1.6091 1.7339 1.7339 2.8455 2.8455 2.9185 2.9185 3.2553 3.2553 3.5054 3.5054 3.8773 3.8773 4.4471 4.4471 5.7236 5.7236 7.9339 7.9339 8.4316 8.4316 8.6445 8.6445 k = 0.5000-0.4336 0.5442 ( 18764 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4147 -9.4147 -9.3161 -9.3161 -7.7021 -7.7021 -7.6579 -7.6579 -5.0485 -5.0485 -4.4347 -4.4347 -0.1429 -0.1429 0.5488 0.5488 1.1043 1.1043 1.3092 1.3092 1.6718 1.6718 1.9696 1.9696 2.3836 2.3836 3.3388 3.3388 3.5855 3.5855 3.8186 3.8186 4.2020 4.2020 4.5686 4.5686 6.1829 6.1829 6.5107 6.5107 6.6740 6.6740 6.9139 6.9139 k = 0.4881-0.4233 0.5312 ( 18766 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4270 -9.4253 -9.3060 -9.3041 -7.7057 -7.7021 -7.6569 -7.6533 -5.0494 -5.0490 -4.4326 -4.4319 -0.1457 -0.1434 0.5480 0.5488 1.1007 1.1041 1.3067 1.3119 1.6645 1.6689 1.9658 1.9735 2.3847 2.3860 3.3340 3.3395 3.5821 3.5859 3.8168 3.8192 4.2011 4.2026 4.5658 4.5682 6.1653 6.1861 6.5017 6.5174 6.6846 6.6947 6.9132 6.9264 k = 0.4762-0.4129 0.5182 ( 18755 PWs) bands (ev): -40.5374 -40.5374 -40.5374 -40.5374 -9.4533 -9.4509 -9.2816 -9.2789 -7.7113 -7.7055 -7.6504 -7.6448 -5.0516 -5.0508 -4.4255 -4.4242 -0.1519 -0.1472 0.5463 0.5481 1.0930 1.0991 1.3052 1.3150 1.6478 1.6564 1.9625 1.9769 2.3894 2.3919 3.3253 3.3360 3.5758 3.5829 3.8138 3.8184 4.1997 4.2029 4.5598 4.5646 6.1376 6.1753 6.4960 6.5256 6.7187 6.7386 6.9242 6.9522 k = 0.4643-0.4026 0.5053 ( 18752 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.4849 -9.4823 -9.2520 -9.2490 -7.7172 -7.7103 -7.6405 -7.6338 -5.0549 -5.0537 -4.4136 -4.4117 -0.1612 -0.1542 0.5437 0.5465 1.0800 1.0874 1.3059 1.3195 1.6234 1.6360 1.9591 1.9786 2.3975 2.4008 3.3132 3.3288 3.5663 3.5762 3.8094 3.8160 4.1979 4.2028 4.5504 4.5576 6.1068 6.1559 6.4993 6.5405 6.7607 6.7925 6.9491 6.9923 k = 0.4524-0.3923 0.4923 ( 18745 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.5188 -9.5162 -9.2207 -9.2175 -7.7228 -7.7154 -7.6285 -7.6213 -5.0592 -5.0577 -4.3971 -4.3946 -0.1734 -0.1643 0.5398 0.5439 1.0601 1.0672 1.3103 1.3267 1.5933 1.6104 1.9549 1.9780 2.4086 2.4125 3.2983 3.3184 3.5530 3.5650 3.8032 3.8115 4.1954 4.2021 4.5374 4.5469 6.0789 6.1351 6.5124 6.5634 6.8014 6.8446 6.9917 7.0450 k = 0.4405-0.3820 0.4794 ( 18739 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.5538 -9.5512 -9.1887 -9.1854 -7.7277 -7.7200 -7.6150 -7.6077 -5.0642 -5.0625 -4.3762 -4.3733 -0.1883 -0.1771 0.5344 0.5401 1.0323 1.0376 1.3183 1.3372 1.5598 1.5822 1.9493 1.9746 2.4223 2.4264 3.2812 3.3052 3.5358 3.5491 3.7952 3.8047 4.1917 4.2003 4.5206 4.5322 6.0588 6.1191 6.5338 6.5933 6.8392 6.8886 7.0515 7.1043 k = 0.4286-0.3716 0.4664 ( 18739 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.5896 -9.5871 -9.1564 -9.1530 -7.7317 -7.7239 -7.6006 -7.5932 -5.0698 -5.0679 -4.3513 -4.3479 -0.2055 -0.1924 0.5267 0.5346 0.9963 0.9991 1.3285 1.3505 1.5259 1.5544 1.9421 1.9687 2.4380 2.4421 3.2622 3.2898 3.5144 3.5283 3.7852 3.7955 4.1862 4.1967 4.5002 4.5137 6.0497 6.1124 6.5620 6.6287 6.8756 6.9265 7.1210 7.1644 k = 0.4167-0.3613 0.4535 ( 18739 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.6258 -9.6233 -9.1241 -9.1205 -7.7349 -7.7271 -7.5855 -7.5781 -5.0757 -5.0736 -4.3225 -4.3188 -0.2247 -0.2099 0.5158 0.5264 0.9532 0.9533 1.3373 1.3630 1.4960 1.5304 1.9334 1.9606 2.4550 2.4589 3.2418 3.2724 3.4891 3.5031 3.7734 3.7840 4.1777 4.1901 4.4767 4.4918 6.0534 6.1176 6.5955 6.6681 6.9125 6.9623 7.1924 7.2230 k = 0.4048-0.3510 0.4405 ( 18746 PWs) bands (ev): -40.5375 -40.5375 -40.5374 -40.5374 -9.6624 -9.6599 -9.0917 -9.0880 -7.7372 -7.7294 -7.5699 -7.5625 -5.0816 -5.0794 -4.2901 -4.2862 -0.2457 -0.2292 0.5002 0.5146 0.9024 0.9053 1.3392 1.3666 1.4791 1.5151 1.9237 1.9509 2.4723 2.4764 3.2202 3.2532 3.4605 3.4740 3.7597 3.7703 4.1648 4.1791 4.4513 4.4674 6.0707 6.1358 6.6330 6.7099 6.9506 6.9981 7.2619 7.2832 k = 0.3929-0.3407 0.4276 ( 18750 PWs) bands (ev): -40.5375 -40.5375 -40.5373 -40.5373 -9.6991 -9.6967 -9.0593 -9.0556 -7.7387 -7.7308 -7.5539 -7.5465 -5.0874 -5.0852 -4.2546 -4.2504 -0.2679 -0.2500 0.4781 0.4972 0.8492 0.8555 1.3286 1.3534 1.4832 1.5129 1.9135 1.9403 2.4889 2.4939 3.1977 3.2323 3.4294 3.4421 3.7444 3.7547 4.1460 4.1623 4.4257 4.4422 6.1014 6.1672 6.6735 6.7530 6.9900 7.0347 7.3282 7.3499 k = 0.3810-0.3304 0.4146 ( 18756 PWs) bands (ev): -40.5375 -40.5375 -40.5373 -40.5373 -9.7358 -9.7334 -9.0269 -9.0230 -7.7393 -7.7314 -7.5378 -7.5304 -5.0930 -5.0907 -4.2160 -4.2117 -0.2912 -0.2719 0.4472 0.4719 0.7967 0.8072 1.3051 1.3283 1.5025 1.5234 1.9039 1.9297 2.5039 2.5106 3.1746 3.2099 3.3969 3.4087 3.7275 3.7374 4.1201 4.1383 4.4018 4.4182 6.1444 6.2112 6.7162 6.7964 7.0302 7.0726 7.3952 7.4241 k = 0.3690-0.3200 0.4016 ( 18756 PWs) bands (ev): -40.5375 -40.5375 -40.5373 -40.5373 -9.7724 -9.7702 -8.9944 -8.9905 -7.7391 -7.7313 -7.5216 -7.5143 -5.0982 -5.0959 -4.1747 -4.1703 -0.3151 -0.2947 0.4060 0.4365 0.7477 0.7629 1.2741 1.2985 1.5273 1.5423 1.8960 1.9203 2.5161 2.5252 3.1514 3.1864 3.3639 3.3751 3.7090 3.7185 4.0866 4.1066 4.3810 4.3971 6.1984 6.2665 6.7602 6.8394 7.0707 7.1121 7.4674 7.5042 k = 0.3571-0.3097 0.3887 ( 18755 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.8089 -9.8067 -8.9619 -8.9579 -7.7382 -7.7305 -7.5055 -7.4984 -5.1028 -5.1006 -4.1308 -4.1265 -0.3395 -0.3180 0.3541 0.3895 0.7041 0.7238 1.2409 1.2671 1.5515 1.5652 1.8914 1.9133 2.5245 2.5366 3.1286 3.1620 3.3313 3.3431 3.6890 3.6980 4.0460 4.0678 4.3640 4.3797 6.2618 6.3316 6.8049 6.8816 7.1112 7.1535 7.5465 7.5899 k = 0.3452-0.2994 0.3757 ( 18754 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.8451 -9.8430 -8.9292 -8.9251 -7.7367 -7.7290 -7.4896 -7.4826 -5.1069 -5.1047 -4.0848 -4.0805 -0.3641 -0.3417 0.2927 0.3317 0.6653 0.6887 1.2087 1.2361 1.5715 1.5882 1.8917 1.9108 2.5280 2.5433 3.1066 3.1370 3.3001 3.3147 3.6674 3.6760 4.0001 4.0233 4.3504 4.3658 6.3328 6.4049 6.8497 6.9226 7.1515 7.1970 7.6329 7.6810 k = 0.3333-0.2891 0.3628 ( 18746 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.8810 -9.8789 -8.8965 -8.8923 -7.7346 -7.7270 -7.4741 -7.4673 -5.1103 -5.1082 -4.0367 -4.0325 -0.3887 -0.3656 0.2244 0.2654 0.6291 0.6553 1.1795 1.2071 1.5854 1.6072 1.8983 1.9146 2.5257 2.5442 3.0851 3.1114 3.2717 3.2913 3.6441 3.6525 3.9510 3.9752 4.3397 4.3549 6.4097 6.4848 6.8940 6.9623 7.1921 7.2428 7.7258 7.7770 k = 0.3214-0.2787 0.3498 ( 18746 PWs) bands (ev): -40.5376 -40.5376 -40.5373 -40.5373 -9.9164 -9.9143 -8.8635 -8.8593 -7.7320 -7.7244 -7.4591 -7.4524 -5.1131 -5.1110 -3.9868 -3.9827 -0.4134 -0.3897 0.1517 0.1937 0.5926 0.6211 1.1546 1.1815 1.5922 1.6194 1.9116 1.9264 2.5173 2.5385 3.0633 3.0848 3.2482 3.2740 3.6193 3.6276 3.9010 3.9259 4.3310 4.3461 6.4908 6.5698 6.9374 7.0007 7.2333 7.2910 7.8243 7.8773 k = 0.3095-0.2684 0.3369 ( 18751 PWs) bands (ev): -40.5376 -40.5376 -40.5372 -40.5372 -9.9512 -9.9493 -8.8305 -8.8261 -7.7290 -7.7215 -7.4447 -7.4381 -5.1152 -5.1131 -3.9355 -3.9316 -0.4379 -0.4139 0.0771 0.1191 0.5536 0.5842 1.1348 1.1605 1.5920 1.6237 1.9310 1.9459 2.5033 2.5263 3.0394 3.0564 3.2315 3.2636 3.5931 3.6014 3.8521 3.8772 4.3239 4.3388 6.5744 6.6583 6.9796 7.0379 7.2755 7.3416 7.9274 7.9809 k = 0.2976-0.2581 0.3239 ( 18755 PWs) bands (ev): -40.5376 -40.5376 -40.5372 -40.5372 -9.9854 -9.9836 -8.7972 -8.7928 -7.7257 -7.7182 -7.4309 -7.4245 -5.1165 -5.1146 -3.8829 -3.8792 -0.4626 -0.4384 0.0026 0.0439 0.5108 0.5432 1.1207 1.1446 1.5857 1.6205 1.9547 1.9713 2.4849 2.5085 3.0117 3.0253 3.2231 3.2599 3.5658 3.5740 3.8060 3.8312 4.3177 4.3325 6.6592 6.7488 7.0206 7.0741 7.3189 7.3945 8.0338 8.0868 k = 0.2857-0.2478 0.3109 ( 18746 PWs) bands (ev): -40.5376 -40.5376 -40.5372 -40.5372 -10.0190 -10.0171 -8.7638 -8.7593 -7.7222 -7.7147 -7.4179 -7.4116 -5.1172 -5.1153 -3.8293 -3.8258 -0.4878 -0.4636 -0.0698 -0.0299 0.4636 0.4976 1.1120 1.1340 1.5748 1.6115 1.9799 1.9993 2.4642 2.4873 2.9796 2.9909 3.2224 3.2620 3.5376 3.5456 3.7645 3.7895 4.3123 4.3269 6.7433 6.8394 7.0607 7.1099 7.3638 7.4495 8.1424 8.1939 k = 0.2738-0.2374 0.2980 ( 18754 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.0517 -10.0499 -8.7303 -8.7257 -7.7185 -7.7111 -7.4056 -7.3995 -5.1172 -5.1154 -3.7750 -3.7718 -0.5140 -0.4901 -0.1385 -0.1008 0.4121 0.4477 1.1083 1.1283 1.5608 1.5982 2.0033 2.0263 2.4438 2.4656 2.9433 2.9530 3.2277 3.2678 3.5089 3.5166 3.7289 3.7537 4.3073 4.3217 6.8249 6.9274 7.1011 7.1460 7.4102 7.5063 8.2519 8.3012 k = 0.2619-0.2271 0.2850 ( 18754 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.0835 -10.0819 -8.6966 -8.6919 -7.7147 -7.7074 -7.3942 -7.3883 -5.1166 -5.1149 -3.7202 -3.7173 -0.5423 -0.5186 -0.2016 -0.1669 0.3570 0.3938 1.1087 1.1269 1.5445 1.5822 2.0211 2.0484 2.4271 2.4472 2.9036 2.9120 3.2365 3.2752 3.4800 3.4877 3.7005 3.7252 4.3027 4.3168 6.9022 7.0085 7.1445 7.1834 7.4584 7.5648 8.3611 8.4074 k = 0.2500-0.2168 0.2721 ( 18763 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.1145 -10.1129 -8.6628 -8.6581 -7.7110 -7.7037 -7.3836 -7.3779 -5.1154 -5.1138 -3.6654 -3.6628 -0.5740 -0.5498 -0.2575 -0.2263 0.2992 0.3369 1.1125 1.1289 1.5270 1.5642 2.0298 2.0615 2.4170 2.4359 2.8612 2.8690 3.2459 3.2818 3.4513 3.4593 3.6802 3.7054 4.2983 4.3122 6.9727 7.0759 7.1953 7.2236 7.5089 7.6249 8.4689 8.5115 k = 0.2381-0.2065 0.2591 ( 18760 PWs) bands (ev): -40.5377 -40.5377 -40.5372 -40.5372 -10.1444 -10.1428 -8.6290 -8.6241 -7.7074 -7.7002 -7.3740 -7.3685 -5.1137 -5.1121 -3.6108 -3.6085 -0.6103 -0.5842 -0.3052 -0.2774 0.2395 0.2778 1.1188 1.1335 1.5089 1.5452 2.0276 2.0626 2.4158 2.4338 2.8174 2.8251 3.2536 3.2853 3.4232 3.4323 3.6689 3.6952 4.2941 4.3077 7.0345 7.1256 7.2520 7.2709 7.5625 7.6866 8.5741 8.6124 k = 0.2262-0.1961 0.2462 ( 18763 PWs) bands (ev): -40.5377 -40.5377 -40.5371 -40.5371 -10.1732 -10.1717 -8.5951 -8.5902 -7.7040 -7.6968 -7.3652 -7.3599 -5.1116 -5.1101 -3.5566 -3.5547 -0.6514 -0.6222 -0.3448 -0.3190 0.1791 0.2175 1.1266 1.1397 1.4905 1.5255 2.0146 2.0510 2.4229 2.4400 2.7737 2.7820 3.2576 3.2841 3.3966 3.4071 3.6670 3.6949 4.2901 4.3035 7.0863 7.1616 7.3028 7.3303 7.6207 7.7498 8.6756 8.7090 k = 0.2143-0.1858 0.2332 ( 18770 PWs) bands (ev): -40.5377 -40.5377 -40.5371 -40.5371 -10.2009 -10.1995 -8.5613 -8.5564 -7.7009 -7.6938 -7.3573 -7.3522 -5.1090 -5.1076 -3.5033 -3.5018 -0.6964 -0.6634 -0.3769 -0.3514 0.1190 0.1573 1.1351 1.1468 1.4724 1.5056 1.9932 2.0294 2.4344 2.4504 2.7328 2.7423 3.2562 3.2769 3.3730 3.3845 3.6740 3.7037 4.2864 4.2995 7.1280 7.1894 7.3502 7.3901 7.6848 7.8147 8.7722 8.8007 k = 0.2024-0.1755 0.2203 ( 18770 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.2274 -10.2261 -8.5277 -8.5227 -7.6983 -7.6912 -7.3503 -7.3454 -5.1062 -5.1048 -3.4512 -3.4499 -0.7435 -0.7068 -0.4032 -0.3764 0.0607 0.0983 1.1437 1.1537 1.4546 1.4855 1.9667 2.0012 2.4440 2.4584 2.6987 2.7095 3.2482 3.2634 3.3542 3.3657 3.6890 3.7202 4.2829 4.2958 7.1611 7.2116 7.3956 7.4422 7.7553 7.8811 8.8629 8.8870 k = 0.1905-0.1652 0.2073 ( 18767 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.2527 -10.2514 -8.4942 -8.4892 -7.6960 -7.6890 -7.3441 -7.3394 -5.1031 -5.1018 -3.4005 -3.3995 -0.7908 -0.7512 -0.4253 -0.3967 0.0058 0.0419 1.1515 1.1597 1.4373 1.4653 1.9378 1.9699 2.4447 2.4569 2.6766 2.6882 3.2333 3.2448 3.3410 3.3512 3.7104 3.7425 4.2799 4.2924 7.1868 7.2294 7.4376 7.4850 7.8313 7.9489 8.9465 8.9680 k = 0.1786-0.1549 0.1943 ( 18776 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.2767 -10.2755 -8.4612 -8.4561 -7.6943 -7.6873 -7.3387 -7.3342 -5.0998 -5.0986 -3.3516 -3.3509 -0.8368 -0.7949 -0.4456 -0.4152 -0.0438 -0.0100 1.1579 1.1642 1.4201 1.4449 1.9091 1.9384 2.4319 2.4411 2.6696 2.6810 3.2127 3.2232 3.3328 3.3410 3.7365 3.7691 4.2773 4.2896 7.2064 7.2431 7.4747 7.5192 7.9108 8.0178 9.0221 9.0442 k = 0.1667-0.1445 0.1814 ( 18775 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.2993 -10.2982 -8.4285 -8.4234 -7.6932 -7.6863 -7.3340 -7.3298 -5.0965 -5.0953 -3.3048 -3.3042 -0.8803 -0.8367 -0.4669 -0.4348 -0.0858 -0.0552 1.1624 1.1666 1.4026 1.4238 1.8825 1.9088 2.4067 2.4130 2.6743 2.6855 3.1890 3.2008 3.3281 3.3347 3.7658 3.7982 4.2753 4.2873 7.2206 7.2526 7.5066 7.5463 7.9917 8.0869 9.0901 9.1155 k = 0.1548-0.1342 0.1684 ( 18770 PWs) bands (ev): -40.5378 -40.5378 -40.5371 -40.5371 -10.3205 -10.3195 -8.3964 -8.3914 -7.6928 -7.6860 -7.3300 -7.3261 -5.0931 -5.0920 -3.2604 -3.2598 -0.9204 -0.8756 -0.4919 -0.4579 -0.1181 -0.0914 1.1641 1.1671 1.3840 1.4019 1.8596 1.8828 2.3738 2.3779 2.6843 2.6957 3.1652 3.1787 3.3255 3.3318 3.7969 3.8287 4.2740 4.2857 7.2297 7.2578 7.5335 7.5681 8.0723 8.1556 9.1514 9.1817 k = 0.1429-0.1239 0.1555 ( 18766 PWs) bands (ev): -40.5378 -40.5378 -40.5370 -40.5370 -10.3403 -10.3394 -8.3651 -8.3601 -7.6930 -7.6863 -7.3267 -7.3230 -5.0897 -5.0887 -3.2186 -3.2180 -0.9566 -0.9109 -0.5226 -0.4865 -0.1395 -0.1167 1.1622 1.1664 1.3634 1.3789 1.8415 1.8619 2.3376 2.3404 2.6943 2.7063 3.1432 3.1584 3.3247 3.3318 3.8286 3.8594 4.2735 4.2850 7.2340 7.2586 7.5561 7.5860 8.1510 8.2230 9.2072 9.2427 k = 0.1310-0.1136 0.1425 ( 18775 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3587 -10.3578 -8.3347 -8.3297 -7.6939 -7.6874 -7.3239 -7.3205 -5.0864 -5.0855 -3.1796 -3.1789 -0.9884 -0.9420 -0.5593 -0.5210 -0.1503 -0.1304 1.1571 1.1640 1.3400 1.3548 1.8287 1.8466 2.3010 2.3034 2.7011 2.7138 3.1245 3.1410 3.3255 3.3341 3.8601 3.8894 4.2741 4.2852 7.2339 7.2552 7.5753 7.6010 8.2267 8.2882 9.2581 9.2985 k = 0.1190-0.1032 0.1296 ( 18767 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3756 -10.3748 -8.3054 -8.3005 -7.6955 -7.6892 -7.3216 -7.3185 -5.0833 -5.0825 -3.1436 -3.1427 -1.0155 -0.9685 -0.6010 -0.5607 -0.1517 -0.1335 1.1496 1.1596 1.3140 1.3296 1.8211 1.8370 2.2660 2.2684 2.7028 2.7160 3.1100 3.1273 3.3280 3.3379 3.8904 3.9180 4.2757 4.2866 7.2298 7.2481 7.5919 7.6141 8.2984 8.3504 9.3049 9.3492 k = 0.1071-0.0929 0.1166 ( 18766 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.3909 -10.3902 -8.2773 -8.2726 -7.6978 -7.6917 -7.3197 -7.3169 -5.0804 -5.0796 -3.1107 -3.1098 -1.0376 -0.9902 -0.6460 -0.6040 -0.1456 -0.1281 1.1398 1.1532 1.2862 1.3036 1.8183 1.8326 2.2337 2.2364 2.6990 2.7122 3.1001 3.1175 3.3321 3.3429 3.9189 3.9444 4.2786 4.2890 7.2224 7.2377 7.6066 7.6258 8.3654 8.4090 9.3477 9.3946 k = 0.0952-0.0826 0.1036 ( 18774 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4047 -10.4041 -8.2509 -8.2464 -7.7006 -7.6948 -7.3182 -7.3157 -5.0777 -5.0770 -3.0810 -3.0801 -1.0545 -1.0068 -0.6927 -0.6493 -0.1337 -0.1166 1.1281 1.1445 1.2584 1.2774 1.8192 1.8321 2.2053 2.2084 2.6898 2.7027 3.0943 3.1112 3.3374 3.3487 3.9450 3.9681 4.2827 4.2926 7.2124 7.2251 7.6199 7.6363 8.4270 8.4630 9.3862 9.4337 k = 0.0833-0.0723 0.0907 ( 18772 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4169 -10.4164 -8.2263 -8.2220 -7.7038 -7.6984 -7.3171 -7.3148 -5.0753 -5.0747 -3.0547 -3.0538 -1.0662 -1.0184 -0.7395 -0.6951 -0.1178 -0.1012 1.1143 1.1331 1.2325 1.2523 1.8226 1.8342 2.1814 2.1847 2.6765 2.6885 3.0920 3.1077 3.3436 3.3549 3.9682 3.9887 4.2879 4.2972 7.2007 7.2111 7.6319 7.6459 8.4827 8.5121 9.4191 9.4636 k = 0.0714-0.0619 0.0777 ( 18770 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4275 -10.4271 -8.2038 -8.1999 -7.7073 -7.7024 -7.3161 -7.3142 -5.0731 -5.0726 -3.0318 -3.0309 -1.0727 -1.0247 -0.7854 -0.7402 -0.0995 -0.0838 1.0987 1.1186 1.2103 1.2297 1.8273 1.8376 2.1624 2.1659 2.6604 2.6713 3.0921 3.1062 3.3503 3.3610 3.9882 4.0060 4.2941 4.3025 7.1884 7.1966 7.6427 7.6545 8.5320 8.5555 9.4436 9.4789 k = 0.0595-0.0516 0.0648 ( 18756 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4366 -10.4362 -8.1838 -8.1803 -7.7108 -7.7065 -7.3154 -7.3138 -5.0713 -5.0708 -3.0124 -3.0116 -1.0740 -1.0259 -0.8296 -0.7837 -0.0802 -0.0660 1.0819 1.1010 1.1933 1.2106 1.8323 1.8410 2.1484 2.1519 2.6432 2.6527 3.0937 3.1058 3.3572 3.3668 4.0050 4.0198 4.3008 4.3081 7.1763 7.1827 7.6523 7.6619 8.5744 8.5929 9.4547 9.4760 k = 0.0476-0.0413 0.0518 ( 18759 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4439 -10.4436 -8.1666 -8.1637 -7.7141 -7.7105 -7.3148 -7.3135 -5.0698 -5.0694 -2.9965 -2.9958 -1.0700 -1.0219 -0.8713 -0.8249 -0.0615 -0.0492 1.0653 1.0818 1.1813 1.1953 1.8368 1.8439 2.1391 2.1424 2.6265 2.6344 3.0960 3.1059 3.3636 3.3718 4.0186 4.0304 4.3075 4.3136 7.1652 7.1701 7.6605 7.6681 8.6098 8.6238 9.4515 9.4628 k = 0.0357-0.0310 0.0389 ( 18750 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4497 -10.4495 -8.1526 -8.1503 -7.7170 -7.7142 -7.3144 -7.3134 -5.0685 -5.0683 -2.9841 -2.9835 -1.0610 -1.0129 -0.9101 -0.8633 -0.0448 -0.0350 1.0504 1.0634 1.1735 1.1838 1.8403 1.8457 2.1338 2.1366 2.6118 2.6180 3.0985 3.1061 3.3694 3.3758 4.0291 4.0380 4.3137 4.3184 7.1560 7.1594 7.6673 7.6729 8.6378 8.6478 9.4416 9.4479 k = 0.0238-0.0206 0.0259 ( 18751 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4538 -10.4536 -8.1422 -8.1406 -7.7192 -7.7172 -7.3141 -7.3134 -5.0677 -5.0675 -2.9752 -2.9748 -1.0470 -0.9991 -0.9456 -0.8984 -0.0312 -0.0243 1.0390 1.0480 1.1688 1.1755 1.8429 1.8465 2.1314 2.1334 2.6005 2.6047 3.1009 3.1060 3.3741 3.3785 4.0369 4.0428 4.3188 4.3220 7.1491 7.1513 7.6725 7.6762 8.6583 8.6648 9.4320 9.4355 k = 0.0119-0.0103 0.0130 ( 18754 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4562 -10.4562 -8.1357 -8.1349 -7.7203 -7.7193 -7.3138 -7.3135 -5.0671 -5.0670 -2.9698 -2.9696 -1.0283 -0.9805 -0.9772 -0.9298 -0.0218 -0.0183 1.0325 1.0371 1.1668 1.1701 1.8446 1.8464 2.1308 2.1319 2.5936 2.5958 3.1029 3.1055 3.3775 3.3797 4.0420 4.0450 4.3224 4.3240 7.1450 7.1461 7.6760 7.6778 8.6712 8.6744 9.4257 9.4273 k = 0.0000 0.0000 0.0000 ( 18763 PWs) bands (ev): -40.5379 -40.5379 -40.5370 -40.5370 -10.4570 -10.4570 -8.1332 -8.1332 -7.7204 -7.7204 -7.3136 -7.3136 -5.0669 -5.0669 -2.9679 -2.9679 -1.0050 -1.0050 -0.9573 -0.9573 -0.0174 -0.0174 1.0318 1.0318 1.1673 1.1673 1.8458 1.8458 2.1311 2.1311 2.5920 2.5920 3.1044 3.1044 3.3794 3.3794 4.0447 4.0447 4.3242 4.3242 7.1440 7.1440 7.6778 7.6778 8.6766 8.6766 9.4240 9.4240 Writing output data file LiAsS2.save init_run : 4.40s CPU 12.50s WALL ( 1 calls) electrons : 1158.80s CPU 1173.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.26s CPU 1.54s WALL ( 1 calls) Called by electrons: c_bands : 1158.76s CPU 1172.70s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.93s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.10s CPU 0.64s WALL ( 1 calls) newd : 0.84s CPU 1.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.30s CPU 0.49s WALL ( 288 calls) cegterg : 1053.57s CPU 1063.11s WALL ( 564 calls) Called by sum_band: Called by *egterg: h_psi : 712.45s CPU 720.13s WALL ( 9699 calls) s_psi : 62.54s CPU 62.69s WALL ( 9699 calls) g_psi : 2.30s CPU 2.29s WALL ( 8847 calls) cdiaghg : 148.98s CPU 147.30s WALL ( 9135 calls) cegterg:over : 88.62s CPU 86.06s WALL ( 8847 calls) cegterg:upda : 40.19s CPU 43.27s WALL ( 8847 calls) cegterg:last : 32.85s CPU 33.60s WALL ( 1716 calls) Called by h_psi: h_psi:vloc : 579.57s CPU 584.83s WALL ( 9699 calls) h_psi:vnl : 131.02s CPU 132.60s WALL ( 9699 calls) add_vuspsi : 52.18s CPU 55.89s WALL ( 9699 calls) General routines calbec : 78.78s CPU 76.58s WALL ( 9699 calls) fft : 0.80s CPU 1.81s WALL ( 15 calls) fftw : 538.80s CPU 541.89s WALL ( 951744 calls) davcio : 0.05s CPU 4.18s WALL ( 576 calls) Parallel routines fft_scatter : 241.90s CPU 241.49s WALL ( 951759 calls) PWSCF : 21m 1.11s CPU 24m18.85s WALL This run was terminated on: 15:32:58 31Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=