Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:34: 8 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./Al2Se3.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 28 26 7 778 718 109 Max 29 27 8 782 739 115 Sum 1357 1285 367 37393 35089 5377 bravais-lattice index = 14 lattice parameter (alat) = 12.7369 a.u. unit-cell volume = 1662.4353 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 29.0000 Ry charge density cutoff = 121.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.736925 celldm(2)= 1.000000 celldm(3)= 1.086039 celldm(4)= 0.447554 celldm(5)= 0.447554 celldm(6)= 0.501496 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.501496 0.865160 0.000000 ) a(3) = ( 0.486061 0.280068 0.929939 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.579657 -0.348106 ) b(2) = ( 0.000000 1.155856 -0.348106 ) b(3) = ( 0.000000 0.000000 1.075339 ) PseudoPot. # 1 for Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: d18dd1d035d87b93e5ebab176be81bd5 Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Se 6.00 78.96000 Se( 1.00) Al 3.00 26.98150 Al( 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= 249 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040161 k( 2) = ( 0.0156250 0.0090031 -0.0108783), wk = 0.0040161 k( 3) = ( 0.0312500 0.0180062 -0.0217567), wk = 0.0040161 k( 4) = ( 0.0468750 0.0270093 -0.0326350), wk = 0.0040161 k( 5) = ( 0.0625000 0.0360124 -0.0435133), wk = 0.0040161 k( 6) = ( 0.0781250 0.0450155 -0.0543916), wk = 0.0040161 k( 7) = ( 0.0937500 0.0540186 -0.0652700), wk = 0.0040161 k( 8) = ( 0.1093750 0.0630217 -0.0761483), wk = 0.0040161 k( 9) = ( 0.1250000 0.0720248 -0.0870266), wk = 0.0040161 k( 10) = ( 0.1406250 0.0810279 -0.0979049), wk = 0.0040161 k( 11) = ( 0.1562500 0.0900310 -0.1087833), wk = 0.0040161 k( 12) = ( 0.1718750 0.0990341 -0.1196616), wk = 0.0040161 k( 13) = ( 0.1875000 0.1080372 -0.1305399), wk = 0.0040161 k( 14) = ( 0.2031250 0.1170403 -0.1414182), wk = 0.0040161 k( 15) = ( 0.2187500 0.1260435 -0.1522966), wk = 0.0040161 k( 16) = ( 0.2343750 0.1350466 -0.1631749), wk = 0.0040161 k( 17) = ( 0.2500000 0.1440497 -0.1740532), wk = 0.0040161 k( 18) = ( 0.2656250 0.1530528 -0.1849315), wk = 0.0040161 k( 19) = ( 0.2812500 0.1620559 -0.1958099), wk = 0.0040161 k( 20) = ( 0.2968750 0.1710590 -0.2066882), wk = 0.0040161 k( 21) = ( 0.3125000 0.1800621 -0.2175665), wk = 0.0040161 k( 22) = ( 0.3281250 0.1890652 -0.2284448), wk = 0.0040161 k( 23) = ( 0.3437500 0.1980683 -0.2393232), wk = 0.0040161 k( 24) = ( 0.3593750 0.2070714 -0.2502015), wk = 0.0040161 k( 25) = ( 0.3750000 0.2160745 -0.2610798), wk = 0.0040161 k( 26) = ( 0.3906250 0.2250776 -0.2719581), wk = 0.0040161 k( 27) = ( 0.4062500 0.2340807 -0.2828365), wk = 0.0040161 k( 28) = ( 0.4218750 0.2430838 -0.2937148), wk = 0.0040161 k( 29) = ( 0.4375000 0.2520869 -0.3045931), wk = 0.0040161 k( 30) = ( 0.4531250 0.2610900 -0.3154714), wk = 0.0040161 k( 31) = ( 0.4687500 0.2700931 -0.3263498), wk = 0.0040161 k( 32) = ( 0.4843750 0.2790962 -0.3372281), wk = 0.0040161 k( 33) = ( 0.5000000 0.2880993 -0.3481064), wk = 0.0040161 k( 34) = ( 0.5000000 0.2880993 -0.3481064), wk = 0.0040161 k( 35) = ( 0.5090074 0.2932893 -0.3308734), wk = 0.0040161 k( 36) = ( 0.5180147 0.2984794 -0.3136404), wk = 0.0040161 k( 37) = ( 0.5270221 0.3036694 -0.2964074), wk = 0.0040161 k( 38) = ( 0.5360294 0.3088594 -0.2791744), wk = 0.0040161 k( 39) = ( 0.5450368 0.3140495 -0.2619413), wk = 0.0040161 k( 40) = ( 0.5540441 0.3192395 -0.2447083), wk = 0.0040161 k( 41) = ( 0.5630515 0.3244295 -0.2274753), wk = 0.0040161 k( 42) = ( 0.5720589 0.3296195 -0.2102423), wk = 0.0040161 k( 43) = ( 0.5810662 0.3348096 -0.1930093), wk = 0.0040161 k( 44) = ( 0.5900736 0.3399996 -0.1757763), wk = 0.0040161 k( 45) = ( 0.5990809 0.3451896 -0.1585433), wk = 0.0040161 k( 46) = ( 0.5990809 0.3451896 -0.1585433), wk = 0.0040161 k( 47) = ( 0.5935764 0.3420179 -0.1392040), wk = 0.0040161 k( 48) = ( 0.5880719 0.3388462 -0.1198648), wk = 0.0040161 k( 49) = ( 0.5825674 0.3356746 -0.1005255), wk = 0.0040161 k( 50) = ( 0.5770629 0.3325029 -0.0811863), wk = 0.0040161 k( 51) = ( 0.5715585 0.3293312 -0.0618471), wk = 0.0040161 k( 52) = ( 0.5660540 0.3261595 -0.0425078), wk = 0.0040161 k( 53) = ( 0.5605495 0.3229878 -0.0231686), wk = 0.0040161 k( 54) = ( 0.5550450 0.3198161 -0.0038293), wk = 0.0040161 k( 55) = ( 0.5495405 0.3166445 0.0155099), wk = 0.0040161 k( 56) = ( 0.5440360 0.3134728 0.0348492), wk = 0.0040161 k( 57) = ( 0.5385315 0.3103011 0.0541884), wk = 0.0040161 k( 58) = ( 0.5330270 0.3071294 0.0735277), wk = 0.0040161 k( 59) = ( 0.5275225 0.3039577 0.0928669), wk = 0.0040161 k( 60) = ( 0.5220180 0.3007860 0.1122062), wk = 0.0040161 k( 61) = ( 0.5165135 0.2976144 0.1315454), wk = 0.0040161 k( 62) = ( 0.5110090 0.2944427 0.1508846), wk = 0.0040161 k( 63) = ( 0.5055045 0.2912710 0.1702239), wk = 0.0040161 k( 64) = ( 0.5000000 0.2880993 0.1895631), wk = 0.0040161 k( 65) = ( 0.5000000 0.2880993 0.1895631), wk = 0.0040161 k( 66) = ( 0.5104590 0.2699476 0.1895631), wk = 0.0040161 k( 67) = ( 0.5209180 0.2517959 0.1895631), wk = 0.0040161 k( 68) = ( 0.5313770 0.2336441 0.1895631), wk = 0.0040161 k( 69) = ( 0.5418360 0.2154924 0.1895631), wk = 0.0040161 k( 70) = ( 0.5522950 0.1973407 0.1895631), wk = 0.0040161 k( 71) = ( 0.5627540 0.1791890 0.1895631), wk = 0.0040161 k( 72) = ( 0.5732130 0.1610372 0.1895631), wk = 0.0040161 k( 73) = ( 0.5836720 0.1428855 0.1895631), wk = 0.0040161 k( 74) = ( 0.5941310 0.1247338 0.1895631), wk = 0.0040161 k( 75) = ( 0.6045900 0.1065820 0.1895631), wk = 0.0040161 k( 76) = ( 0.6150490 0.0884303 0.1895631), wk = 0.0040161 k( 77) = ( 0.6255080 0.0702786 0.1895631), wk = 0.0040161 k( 78) = ( 0.6359670 0.0521269 0.1895631), wk = 0.0040161 k( 79) = ( 0.6464260 0.0339751 0.1895631), wk = 0.0040161 k( 80) = ( 0.6568850 0.0158234 0.1895631), wk = 0.0040161 k( 81) = ( 0.6673440 -0.0023283 0.1895631), wk = 0.0040161 k( 82) = ( 0.6778030 -0.0204801 0.1895631), wk = 0.0040161 k( 83) = ( 0.6882620 -0.0386318 0.1895631), wk = 0.0040161 k( 84) = ( 0.6987210 -0.0567835 0.1895631), wk = 0.0040161 k( 85) = ( 0.7091800 -0.0749352 0.1895631), wk = 0.0040161 k( 86) = ( 0.7196390 -0.0930870 0.1895631), wk = 0.0040161 k( 87) = ( 0.7300980 -0.1112387 0.1895631), wk = 0.0040161 k( 88) = ( 0.2699020 -0.4684183 0.5376695), wk = 0.0040161 k( 89) = ( 0.2595211 -0.4504022 0.5376695), wk = 0.0040161 k( 90) = ( 0.2491403 -0.4323861 0.5376695), wk = 0.0040161 k( 91) = ( 0.2387595 -0.4143700 0.5376695), wk = 0.0040161 k( 92) = ( 0.2283786 -0.3963540 0.5376695), wk = 0.0040161 k( 93) = ( 0.2179978 -0.3783379 0.5376695), wk = 0.0040161 k( 94) = ( 0.2076169 -0.3603218 0.5376695), wk = 0.0040161 k( 95) = ( 0.1972361 -0.3423057 0.5376695), wk = 0.0040161 k( 96) = ( 0.1868552 -0.3242896 0.5376695), wk = 0.0040161 k( 97) = ( 0.1764744 -0.3062735 0.5376695), wk = 0.0040161 k( 98) = ( 0.1660935 -0.2882574 0.5376695), wk = 0.0040161 k( 99) = ( 0.1557127 -0.2702413 0.5376695), wk = 0.0040161 k( 100) = ( 0.1453318 -0.2522252 0.5376695), wk = 0.0040161 k( 101) = ( 0.1349510 -0.2342092 0.5376695), wk = 0.0040161 k( 102) = ( 0.1245702 -0.2161931 0.5376695), wk = 0.0040161 k( 103) = ( 0.1141893 -0.1981770 0.5376695), wk = 0.0040161 k( 104) = ( 0.1038085 -0.1801609 0.5376695), wk = 0.0040161 k( 105) = ( 0.0934276 -0.1621448 0.5376695), wk = 0.0040161 k( 106) = ( 0.0830468 -0.1441287 0.5376695), wk = 0.0040161 k( 107) = ( 0.0726659 -0.1261126 0.5376695), wk = 0.0040161 k( 108) = ( 0.0622851 -0.1080965 0.5376695), wk = 0.0040161 k( 109) = ( 0.0519042 -0.0900804 0.5376695), wk = 0.0040161 k( 110) = ( 0.0415234 -0.0720644 0.5376695), wk = 0.0040161 k( 111) = ( 0.0311425 -0.0540483 0.5376695), wk = 0.0040161 k( 112) = ( 0.0207617 -0.0360322 0.5376695), wk = 0.0040161 k( 113) = ( 0.0103809 -0.0180161 0.5376695), wk = 0.0040161 k( 114) = ( 0.0000000 0.0000000 0.5376695), wk = 0.0040161 k( 115) = ( 0.0000000 0.0000000 0.5376695), wk = 0.0040161 k( 116) = ( 0.0182236 0.0105004 0.5376695), wk = 0.0040161 k( 117) = ( 0.0364472 0.0210008 0.5376695), wk = 0.0040161 k( 118) = ( 0.0546708 0.0315012 0.5376695), wk = 0.0040161 k( 119) = ( 0.0728944 0.0420016 0.5376695), wk = 0.0040161 k( 120) = ( 0.0911180 0.0525020 0.5376695), wk = 0.0040161 k( 121) = ( 0.1093416 0.0630025 0.5376695), wk = 0.0040161 k( 122) = ( 0.1275652 0.0735029 0.5376695), wk = 0.0040161 k( 123) = ( 0.1457887 0.0840033 0.5376695), wk = 0.0040161 k( 124) = ( 0.1640124 0.0945037 0.5376695), wk = 0.0040161 k( 125) = ( 0.1822359 0.1050041 0.5376695), wk = 0.0040161 k( 126) = ( 0.2004595 0.1155045 0.5376695), wk = 0.0040161 k( 127) = ( 0.2186831 0.1260049 0.5376695), wk = 0.0040161 k( 128) = ( 0.2369067 0.1365053 0.5376695), wk = 0.0040161 k( 129) = ( 0.2551303 0.1470057 0.5376695), wk = 0.0040161 k( 130) = ( 0.2733539 0.1575061 0.5376695), wk = 0.0040161 k( 131) = ( 0.2915775 0.1680066 0.5376695), wk = 0.0040161 k( 132) = ( 0.3098011 0.1785070 0.5376695), wk = 0.0040161 k( 133) = ( 0.3280247 0.1890074 0.5376695), wk = 0.0040161 k( 134) = ( 0.3462483 0.1995078 0.5376695), wk = 0.0040161 k( 135) = ( 0.3644719 0.2100082 0.5376695), wk = 0.0040161 k( 136) = ( 0.3826955 0.2205086 0.5376695), wk = 0.0040161 k( 137) = ( 0.4009191 0.2310090 0.5376695), wk = 0.0040161 k( 138) = ( 0.5000000 0.2880993 -0.3481064), wk = 0.0040161 k( 139) = ( 0.5105227 0.2698371 -0.3481064), wk = 0.0040161 k( 140) = ( 0.5210454 0.2515748 -0.3481064), wk = 0.0040161 k( 141) = ( 0.5315681 0.2333125 -0.3481064), wk = 0.0040161 k( 142) = ( 0.5420907 0.2150503 -0.3481064), wk = 0.0040161 k( 143) = ( 0.5526134 0.1967880 -0.3481064), wk = 0.0040161 k( 144) = ( 0.5631361 0.1785258 -0.3481064), wk = 0.0040161 k( 145) = ( 0.5736588 0.1602635 -0.3481064), wk = 0.0040161 k( 146) = ( 0.5841815 0.1420013 -0.3481064), wk = 0.0040161 k( 147) = ( 0.5947042 0.1237390 -0.3481064), wk = 0.0040161 k( 148) = ( 0.6052268 0.1054768 -0.3481064), wk = 0.0040161 k( 149) = ( 0.6157495 0.0872145 -0.3481064), wk = 0.0040161 k( 150) = ( 0.6262722 0.0689523 -0.3481064), wk = 0.0040161 k( 151) = ( 0.6367949 0.0506900 -0.3481064), wk = 0.0040161 k( 152) = ( 0.3632051 -0.6303470 0.0000000), wk = 0.0040161 k( 153) = ( 0.3525226 -0.6118074 0.0000000), wk = 0.0040161 k( 154) = ( 0.3418401 -0.5932678 0.0000000), wk = 0.0040161 k( 155) = ( 0.3311576 -0.5747282 0.0000000), wk = 0.0040161 k( 156) = ( 0.3204751 -0.5561885 0.0000000), wk = 0.0040161 k( 157) = ( 0.3097926 -0.5376489 0.0000000), wk = 0.0040161 k( 158) = ( 0.2991101 -0.5191093 0.0000000), wk = 0.0040161 k( 159) = ( 0.2884276 -0.5005697 0.0000000), wk = 0.0040161 k( 160) = ( 0.2777451 -0.4820301 0.0000000), wk = 0.0040161 k( 161) = ( 0.2670626 -0.4634905 0.0000000), wk = 0.0040161 k( 162) = ( 0.2563801 -0.4449508 0.0000000), wk = 0.0040161 k( 163) = ( 0.2456976 -0.4264112 0.0000000), wk = 0.0040161 k( 164) = ( 0.2350151 -0.4078716 0.0000000), wk = 0.0040161 k( 165) = ( 0.2243326 -0.3893320 0.0000000), wk = 0.0040161 k( 166) = ( 0.2136501 -0.3707924 0.0000000), wk = 0.0040161 k( 167) = ( 0.2029675 -0.3522527 0.0000000), wk = 0.0040161 k( 168) = ( 0.1922851 -0.3337131 0.0000000), wk = 0.0040161 k( 169) = ( 0.1816025 -0.3151735 0.0000000), wk = 0.0040161 k( 170) = ( 0.1709200 -0.2966339 0.0000000), wk = 0.0040161 k( 171) = ( 0.1602375 -0.2780943 0.0000000), wk = 0.0040161 k( 172) = ( 0.1495550 -0.2595547 0.0000000), wk = 0.0040161 k( 173) = ( 0.1388725 -0.2410150 0.0000000), wk = 0.0040161 k( 174) = ( 0.1281900 -0.2224754 0.0000000), wk = 0.0040161 k( 175) = ( 0.1175075 -0.2039358 0.0000000), wk = 0.0040161 k( 176) = ( 0.1068250 -0.1853962 0.0000000), wk = 0.0040161 k( 177) = ( 0.0961425 -0.1668566 0.0000000), wk = 0.0040161 k( 178) = ( 0.0854600 -0.1483169 0.0000000), wk = 0.0040161 k( 179) = ( 0.0747775 -0.1297773 0.0000000), wk = 0.0040161 k( 180) = ( 0.0640950 -0.1112377 0.0000000), wk = 0.0040161 k( 181) = ( 0.0534125 -0.0926981 0.0000000), wk = 0.0040161 k( 182) = ( 0.0427300 -0.0741585 0.0000000), wk = 0.0040161 k( 183) = ( 0.0320475 -0.0556189 0.0000000), wk = 0.0040161 k( 184) = ( 0.0213650 -0.0370792 0.0000000), wk = 0.0040161 k( 185) = ( 0.0106825 -0.0185396 0.0000000), wk = 0.0040161 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040161 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040161 k( 188) = ( 0.0172414 -0.0099941 -0.0060018), wk = 0.0040161 k( 189) = ( 0.0344828 -0.0199882 -0.0120037), wk = 0.0040161 k( 190) = ( 0.0517241 -0.0299823 -0.0180055), wk = 0.0040161 k( 191) = ( 0.0689655 -0.0399763 -0.0240073), wk = 0.0040161 k( 192) = ( 0.0862069 -0.0499704 -0.0300092), wk = 0.0040161 k( 193) = ( 0.1034483 -0.0599645 -0.0360110), wk = 0.0040161 k( 194) = ( 0.1206897 -0.0699586 -0.0420128), wk = 0.0040161 k( 195) = ( 0.1379310 -0.0799527 -0.0480147), wk = 0.0040161 k( 196) = ( 0.1551724 -0.0899468 -0.0540165), wk = 0.0040161 k( 197) = ( 0.1724138 -0.0999409 -0.0600183), wk = 0.0040161 k( 198) = ( 0.1896552 -0.1099349 -0.0660202), wk = 0.0040161 k( 199) = ( 0.2068966 -0.1199290 -0.0720220), wk = 0.0040161 k( 200) = ( 0.2241379 -0.1299231 -0.0780238), wk = 0.0040161 k( 201) = ( 0.2413793 -0.1399172 -0.0840257), wk = 0.0040161 k( 202) = ( 0.2586207 -0.1499113 -0.0900275), wk = 0.0040161 k( 203) = ( 0.2758621 -0.1599054 -0.0960294), wk = 0.0040161 k( 204) = ( 0.2931034 -0.1698995 -0.1020312), wk = 0.0040161 k( 205) = ( 0.3103448 -0.1798936 -0.1080330), wk = 0.0040161 k( 206) = ( 0.3275862 -0.1898876 -0.1140349), wk = 0.0040161 k( 207) = ( 0.3448276 -0.1998817 -0.1200367), wk = 0.0040161 k( 208) = ( 0.3620690 -0.2098758 -0.1260385), wk = 0.0040161 k( 209) = ( 0.3793103 -0.2198699 -0.1320404), wk = 0.0040161 k( 210) = ( 0.3965517 -0.2298640 -0.1380422), wk = 0.0040161 k( 211) = ( 0.4137931 -0.2398581 -0.1440440), wk = 0.0040161 k( 212) = ( 0.4310345 -0.2498522 -0.1500459), wk = 0.0040161 k( 213) = ( 0.4482759 -0.2598462 -0.1560477), wk = 0.0040161 k( 214) = ( 0.4655172 -0.2698403 -0.1620495), wk = 0.0040161 k( 215) = ( 0.4827586 -0.2798344 -0.1680514), wk = 0.0040161 k( 216) = ( 0.5000000 -0.2898285 -0.1740532), wk = 0.0040161 k( 217) = ( 0.5000000 -0.2898285 0.3636163), wk = 0.0040161 k( 218) = ( 0.4843750 -0.2807714 0.3522533), wk = 0.0040161 k( 219) = ( 0.4687500 -0.2717142 0.3408903), wk = 0.0040161 k( 220) = ( 0.4531250 -0.2626571 0.3295273), wk = 0.0040161 k( 221) = ( 0.4375000 -0.2535999 0.3181643), wk = 0.0040161 k( 222) = ( 0.4218750 -0.2445428 0.3068013), wk = 0.0040161 k( 223) = ( 0.4062500 -0.2354857 0.2954383), wk = 0.0040161 k( 224) = ( 0.3906250 -0.2264285 0.2840753), wk = 0.0040161 k( 225) = ( 0.3750000 -0.2173714 0.2727122), wk = 0.0040161 k( 226) = ( 0.3593750 -0.2083142 0.2613492), wk = 0.0040161 k( 227) = ( 0.3437500 -0.1992571 0.2499862), wk = 0.0040161 k( 228) = ( 0.3281250 -0.1902000 0.2386232), wk = 0.0040161 k( 229) = ( 0.3125000 -0.1811428 0.2272602), wk = 0.0040161 k( 230) = ( 0.2968750 -0.1720857 0.2158972), wk = 0.0040161 k( 231) = ( 0.2812500 -0.1630285 0.2045342), wk = 0.0040161 k( 232) = ( 0.2656250 -0.1539714 0.1931712), wk = 0.0040161 k( 233) = ( 0.2500000 -0.1449142 0.1818082), wk = 0.0040161 k( 234) = ( 0.2343750 -0.1358571 0.1704452), wk = 0.0040161 k( 235) = ( 0.2187500 -0.1268000 0.1590821), wk = 0.0040161 k( 236) = ( 0.2031250 -0.1177428 0.1477191), wk = 0.0040161 k( 237) = ( 0.1875000 -0.1086857 0.1363561), wk = 0.0040161 k( 238) = ( 0.1718750 -0.0996285 0.1249931), wk = 0.0040161 k( 239) = ( 0.1562500 -0.0905714 0.1136301), wk = 0.0040161 k( 240) = ( 0.1406250 -0.0815143 0.1022671), wk = 0.0040161 k( 241) = ( 0.1250000 -0.0724571 0.0909041), wk = 0.0040161 k( 242) = ( 0.1093750 -0.0634000 0.0795411), wk = 0.0040161 k( 243) = ( 0.0937500 -0.0543428 0.0681781), wk = 0.0040161 k( 244) = ( 0.0781250 -0.0452857 0.0568151), wk = 0.0040161 k( 245) = ( 0.0625000 -0.0362286 0.0454520), wk = 0.0040161 k( 246) = ( 0.0468750 -0.0271714 0.0340890), wk = 0.0040161 k( 247) = ( 0.0312500 -0.0181143 0.0227260), wk = 0.0040161 k( 248) = ( 0.0156250 -0.0090571 0.0113630), wk = 0.0040161 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040161 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040161 k( 2) = ( 0.0156250 0.0156250 0.0000000), wk = 0.0040161 k( 3) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0040161 k( 4) = ( 0.0468750 0.0468750 0.0000000), wk = 0.0040161 k( 5) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0040161 k( 6) = ( 0.0781250 0.0781250 0.0000000), wk = 0.0040161 k( 7) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0040161 k( 8) = ( 0.1093750 0.1093750 0.0000000), wk = 0.0040161 k( 9) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0040161 k( 10) = ( 0.1406250 0.1406250 0.0000000), wk = 0.0040161 k( 11) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0040161 k( 12) = ( 0.1718750 0.1718750 0.0000000), wk = 0.0040161 k( 13) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0040161 k( 14) = ( 0.2031250 0.2031250 0.0000000), wk = 0.0040161 k( 15) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0040161 k( 16) = ( 0.2343750 0.2343750 0.0000000), wk = 0.0040161 k( 17) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0040161 k( 18) = ( 0.2656250 0.2656250 0.0000000), wk = 0.0040161 k( 19) = ( 0.2812500 0.2812500 0.0000000), wk = 0.0040161 k( 20) = ( 0.2968750 0.2968750 0.0000000), wk = 0.0040161 k( 21) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0040161 k( 22) = ( 0.3281250 0.3281250 0.0000000), wk = 0.0040161 k( 23) = ( 0.3437500 0.3437500 0.0000000), wk = 0.0040161 k( 24) = ( 0.3593750 0.3593750 0.0000000), wk = 0.0040161 k( 25) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0040161 k( 26) = ( 0.3906250 0.3906250 0.0000000), wk = 0.0040161 k( 27) = ( 0.4062500 0.4062500 0.0000000), wk = 0.0040161 k( 28) = ( 0.4218750 0.4218750 0.0000000), wk = 0.0040161 k( 29) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0040161 k( 30) = ( 0.4531250 0.4531250 0.0000000), wk = 0.0040161 k( 31) = ( 0.4687500 0.4687500 0.0000000), wk = 0.0040161 k( 32) = ( 0.4843750 0.4843750 0.0000000), wk = 0.0040161 k( 33) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040161 k( 34) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040161 k( 35) = ( 0.5090074 0.5090074 0.0218573), wk = 0.0040161 k( 36) = ( 0.5180147 0.5180147 0.0437147), wk = 0.0040161 k( 37) = ( 0.5270221 0.5270221 0.0655720), wk = 0.0040161 k( 38) = ( 0.5360294 0.5360294 0.0874294), wk = 0.0040161 k( 39) = ( 0.5450368 0.5450368 0.1092867), wk = 0.0040161 k( 40) = ( 0.5540441 0.5540441 0.1311440), wk = 0.0040161 k( 41) = ( 0.5630515 0.5630515 0.1530014), wk = 0.0040161 k( 42) = ( 0.5720589 0.5720589 0.1748587), wk = 0.0040161 k( 43) = ( 0.5810662 0.5810662 0.1967160), wk = 0.0040161 k( 44) = ( 0.5900736 0.5900736 0.2185734), wk = 0.0040161 k( 45) = ( 0.5990809 0.5990809 0.2404307), wk = 0.0040161 k( 46) = ( 0.5990809 0.5990809 0.2404307), wk = 0.0040161 k( 47) = ( 0.5935764 0.5935764 0.2548512), wk = 0.0040161 k( 48) = ( 0.5880719 0.5880719 0.2692717), wk = 0.0040161 k( 49) = ( 0.5825674 0.5825674 0.2836923), wk = 0.0040161 k( 50) = ( 0.5770629 0.5770629 0.2981128), wk = 0.0040161 k( 51) = ( 0.5715585 0.5715585 0.3125333), wk = 0.0040161 k( 52) = ( 0.5660540 0.5660540 0.3269538), wk = 0.0040161 k( 53) = ( 0.5605495 0.5605495 0.3413743), wk = 0.0040161 k( 54) = ( 0.5550450 0.5550450 0.3557948), wk = 0.0040161 k( 55) = ( 0.5495405 0.5495405 0.3702154), wk = 0.0040161 k( 56) = ( 0.5440360 0.5440360 0.3846359), wk = 0.0040161 k( 57) = ( 0.5385315 0.5385315 0.3990564), wk = 0.0040161 k( 58) = ( 0.5330270 0.5330270 0.4134769), wk = 0.0040161 k( 59) = ( 0.5275225 0.5275225 0.4278974), wk = 0.0040161 k( 60) = ( 0.5220180 0.5220180 0.4423179), wk = 0.0040161 k( 61) = ( 0.5165135 0.5165135 0.4567385), wk = 0.0040161 k( 62) = ( 0.5110090 0.5110090 0.4711590), wk = 0.0040161 k( 63) = ( 0.5055045 0.5055045 0.4855795), wk = 0.0040161 k( 64) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040161 k( 65) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040161 k( 66) = ( 0.5104590 0.4895410 0.5000000), wk = 0.0040161 k( 67) = ( 0.5209180 0.4790820 0.5000000), wk = 0.0040161 k( 68) = ( 0.5313770 0.4686230 0.5000000), wk = 0.0040161 k( 69) = ( 0.5418360 0.4581640 0.5000000), wk = 0.0040161 k( 70) = ( 0.5522950 0.4477050 0.5000000), wk = 0.0040161 k( 71) = ( 0.5627540 0.4372460 0.5000000), wk = 0.0040161 k( 72) = ( 0.5732130 0.4267870 0.5000000), wk = 0.0040161 k( 73) = ( 0.5836720 0.4163280 0.5000000), wk = 0.0040161 k( 74) = ( 0.5941310 0.4058690 0.5000000), wk = 0.0040161 k( 75) = ( 0.6045900 0.3954100 0.5000000), wk = 0.0040161 k( 76) = ( 0.6150490 0.3849510 0.5000000), wk = 0.0040161 k( 77) = ( 0.6255080 0.3744920 0.5000000), wk = 0.0040161 k( 78) = ( 0.6359670 0.3640330 0.5000000), wk = 0.0040161 k( 79) = ( 0.6464260 0.3535740 0.5000000), wk = 0.0040161 k( 80) = ( 0.6568850 0.3431150 0.5000000), wk = 0.0040161 k( 81) = ( 0.6673440 0.3326560 0.5000000), wk = 0.0040161 k( 82) = ( 0.6778030 0.3221970 0.5000000), wk = 0.0040161 k( 83) = ( 0.6882620 0.3117380 0.5000000), wk = 0.0040161 k( 84) = ( 0.6987210 0.3012790 0.5000000), wk = 0.0040161 k( 85) = ( 0.7091800 0.2908200 0.5000000), wk = 0.0040161 k( 86) = ( 0.7196390 0.2803610 0.5000000), wk = 0.0040161 k( 87) = ( 0.7300980 0.2699020 0.5000000), wk = 0.0040161 k( 88) = ( 0.2699020 -0.2699020 0.5000000), wk = 0.0040161 k( 89) = ( 0.2595211 -0.2595211 0.5000000), wk = 0.0040161 k( 90) = ( 0.2491403 -0.2491403 0.5000000), wk = 0.0040161 k( 91) = ( 0.2387595 -0.2387594 0.5000000), wk = 0.0040161 k( 92) = ( 0.2283786 -0.2283786 0.5000000), wk = 0.0040161 k( 93) = ( 0.2179978 -0.2179978 0.5000000), wk = 0.0040161 k( 94) = ( 0.2076169 -0.2076169 0.5000000), wk = 0.0040161 k( 95) = ( 0.1972361 -0.1972361 0.5000000), wk = 0.0040161 k( 96) = ( 0.1868552 -0.1868552 0.5000000), wk = 0.0040161 k( 97) = ( 0.1764744 -0.1764744 0.5000000), wk = 0.0040161 k( 98) = ( 0.1660935 -0.1660935 0.5000000), wk = 0.0040161 k( 99) = ( 0.1557127 -0.1557127 0.5000000), wk = 0.0040161 k( 100) = ( 0.1453318 -0.1453318 0.5000000), wk = 0.0040161 k( 101) = ( 0.1349510 -0.1349510 0.5000000), wk = 0.0040161 k( 102) = ( 0.1245702 -0.1245702 0.5000000), wk = 0.0040161 k( 103) = ( 0.1141893 -0.1141893 0.5000000), wk = 0.0040161 k( 104) = ( 0.1038085 -0.1038085 0.5000000), wk = 0.0040161 k( 105) = ( 0.0934276 -0.0934276 0.5000000), wk = 0.0040161 k( 106) = ( 0.0830468 -0.0830468 0.5000000), wk = 0.0040161 k( 107) = ( 0.0726659 -0.0726659 0.5000000), wk = 0.0040161 k( 108) = ( 0.0622851 -0.0622851 0.5000000), wk = 0.0040161 k( 109) = ( 0.0519042 -0.0519042 0.5000000), wk = 0.0040161 k( 110) = ( 0.0415234 -0.0415234 0.5000000), wk = 0.0040161 k( 111) = ( 0.0311425 -0.0311425 0.5000000), wk = 0.0040161 k( 112) = ( 0.0207617 -0.0207617 0.5000000), wk = 0.0040161 k( 113) = ( 0.0103809 -0.0103809 0.5000000), wk = 0.0040161 k( 114) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040161 k( 115) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040161 k( 116) = ( 0.0182236 0.0182236 0.5117986), wk = 0.0040161 k( 117) = ( 0.0364472 0.0364472 0.5235972), wk = 0.0040161 k( 118) = ( 0.0546708 0.0546708 0.5353958), wk = 0.0040161 k( 119) = ( 0.0728944 0.0728944 0.5471944), wk = 0.0040161 k( 120) = ( 0.0911180 0.0911180 0.5589930), wk = 0.0040161 k( 121) = ( 0.1093416 0.1093416 0.5707916), wk = 0.0040161 k( 122) = ( 0.1275652 0.1275652 0.5825902), wk = 0.0040161 k( 123) = ( 0.1457887 0.1457887 0.5943888), wk = 0.0040161 k( 124) = ( 0.1640124 0.1640124 0.6061874), wk = 0.0040161 k( 125) = ( 0.1822359 0.1822359 0.6179860), wk = 0.0040161 k( 126) = ( 0.2004595 0.2004595 0.6297846), wk = 0.0040161 k( 127) = ( 0.2186831 0.2186831 0.6415833), wk = 0.0040161 k( 128) = ( 0.2369067 0.2369067 0.6533819), wk = 0.0040161 k( 129) = ( 0.2551303 0.2551303 0.6651805), wk = 0.0040161 k( 130) = ( 0.2733539 0.2733539 0.6769791), wk = 0.0040161 k( 131) = ( 0.2915775 0.2915775 0.6887777), wk = 0.0040161 k( 132) = ( 0.3098011 0.3098011 0.7005763), wk = 0.0040161 k( 133) = ( 0.3280247 0.3280247 0.7123749), wk = 0.0040161 k( 134) = ( 0.3462483 0.3462483 0.7241735), wk = 0.0040161 k( 135) = ( 0.3644719 0.3644719 0.7359721), wk = 0.0040161 k( 136) = ( 0.3826955 0.3826955 0.7477707), wk = 0.0040161 k( 137) = ( 0.4009191 0.4009191 0.7595693), wk = 0.0040161 k( 138) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040161 k( 139) = ( 0.5105227 0.4894773 0.0000000), wk = 0.0040161 k( 140) = ( 0.5210454 0.4789546 0.0000000), wk = 0.0040161 k( 141) = ( 0.5315681 0.4684319 0.0000000), wk = 0.0040161 k( 142) = ( 0.5420907 0.4579093 0.0000000), wk = 0.0040161 k( 143) = ( 0.5526134 0.4473866 0.0000000), wk = 0.0040161 k( 144) = ( 0.5631361 0.4368639 0.0000000), wk = 0.0040161 k( 145) = ( 0.5736588 0.4263412 0.0000000), wk = 0.0040161 k( 146) = ( 0.5841815 0.4158185 0.0000000), wk = 0.0040161 k( 147) = ( 0.5947042 0.4052958 0.0000000), wk = 0.0040161 k( 148) = ( 0.6052268 0.3947732 0.0000000), wk = 0.0040161 k( 149) = ( 0.6157495 0.3842505 0.0000000), wk = 0.0040161 k( 150) = ( 0.6262722 0.3737278 0.0000000), wk = 0.0040161 k( 151) = ( 0.6367949 0.3632051 0.0000000), wk = 0.0040161 k( 152) = ( 0.3632051 -0.3632051 -0.0000000), wk = 0.0040161 k( 153) = ( 0.3525226 -0.3525226 0.0000000), wk = 0.0040161 k( 154) = ( 0.3418401 -0.3418401 0.0000000), wk = 0.0040161 k( 155) = ( 0.3311576 -0.3311576 0.0000000), wk = 0.0040161 k( 156) = ( 0.3204751 -0.3204751 0.0000000), wk = 0.0040161 k( 157) = ( 0.3097926 -0.3097926 0.0000000), wk = 0.0040161 k( 158) = ( 0.2991101 -0.2991101 0.0000000), wk = 0.0040161 k( 159) = ( 0.2884276 -0.2884276 -0.0000000), wk = 0.0040161 k( 160) = ( 0.2777451 -0.2777451 0.0000000), wk = 0.0040161 k( 161) = ( 0.2670626 -0.2670626 0.0000000), wk = 0.0040161 k( 162) = ( 0.2563801 -0.2563801 0.0000000), wk = 0.0040161 k( 163) = ( 0.2456976 -0.2456976 0.0000000), wk = 0.0040161 k( 164) = ( 0.2350151 -0.2350151 0.0000000), wk = 0.0040161 k( 165) = ( 0.2243326 -0.2243326 0.0000000), wk = 0.0040161 k( 166) = ( 0.2136501 -0.2136501 0.0000000), wk = 0.0040161 k( 167) = ( 0.2029675 -0.2029675 -0.0000000), wk = 0.0040161 k( 168) = ( 0.1922851 -0.1922851 0.0000000), wk = 0.0040161 k( 169) = ( 0.1816025 -0.1816025 0.0000000), wk = 0.0040161 k( 170) = ( 0.1709200 -0.1709200 0.0000000), wk = 0.0040161 k( 171) = ( 0.1602375 -0.1602375 0.0000000), wk = 0.0040161 k( 172) = ( 0.1495550 -0.1495550 -0.0000000), wk = 0.0040161 k( 173) = ( 0.1388725 -0.1388725 0.0000000), wk = 0.0040161 k( 174) = ( 0.1281900 -0.1281900 0.0000000), wk = 0.0040161 k( 175) = ( 0.1175075 -0.1175075 0.0000000), wk = 0.0040161 k( 176) = ( 0.1068250 -0.1068250 0.0000000), wk = 0.0040161 k( 177) = ( 0.0961425 -0.0961425 0.0000000), wk = 0.0040161 k( 178) = ( 0.0854600 -0.0854600 0.0000000), wk = 0.0040161 k( 179) = ( 0.0747775 -0.0747775 -0.0000000), wk = 0.0040161 k( 180) = ( 0.0640950 -0.0640950 0.0000000), wk = 0.0040161 k( 181) = ( 0.0534125 -0.0534125 0.0000000), wk = 0.0040161 k( 182) = ( 0.0427300 -0.0427300 0.0000000), wk = 0.0040161 k( 183) = ( 0.0320475 -0.0320475 0.0000000), wk = 0.0040161 k( 184) = ( 0.0213650 -0.0213650 -0.0000000), wk = 0.0040161 k( 185) = ( 0.0106825 -0.0106825 0.0000000), wk = 0.0040161 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040161 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040161 k( 188) = ( 0.0172414 0.0000000 0.0000000), wk = 0.0040161 k( 189) = ( 0.0344828 0.0000000 0.0000000), wk = 0.0040161 k( 190) = ( 0.0517241 0.0000000 0.0000000), wk = 0.0040161 k( 191) = ( 0.0689655 0.0000000 0.0000000), wk = 0.0040161 k( 192) = ( 0.0862069 0.0000000 0.0000000), wk = 0.0040161 k( 193) = ( 0.1034483 0.0000000 0.0000000), wk = 0.0040161 k( 194) = ( 0.1206897 0.0000000 0.0000000), wk = 0.0040161 k( 195) = ( 0.1379310 0.0000000 0.0000000), wk = 0.0040161 k( 196) = ( 0.1551724 0.0000000 -0.0000000), wk = 0.0040161 k( 197) = ( 0.1724138 0.0000000 0.0000000), wk = 0.0040161 k( 198) = ( 0.1896552 0.0000000 0.0000000), wk = 0.0040161 k( 199) = ( 0.2068966 0.0000000 0.0000000), wk = 0.0040161 k( 200) = ( 0.2241379 0.0000000 0.0000000), wk = 0.0040161 k( 201) = ( 0.2413793 -0.0000000 0.0000000), wk = 0.0040161 k( 202) = ( 0.2586207 0.0000000 0.0000000), wk = 0.0040161 k( 203) = ( 0.2758621 0.0000000 0.0000000), wk = 0.0040161 k( 204) = ( 0.2931034 0.0000000 0.0000000), wk = 0.0040161 k( 205) = ( 0.3103448 0.0000000 0.0000000), wk = 0.0040161 k( 206) = ( 0.3275862 0.0000000 0.0000000), wk = 0.0040161 k( 207) = ( 0.3448276 0.0000000 0.0000000), wk = 0.0040161 k( 208) = ( 0.3620690 0.0000000 0.0000000), wk = 0.0040161 k( 209) = ( 0.3793103 0.0000000 0.0000000), wk = 0.0040161 k( 210) = ( 0.3965517 0.0000000 0.0000000), wk = 0.0040161 k( 211) = ( 0.4137931 0.0000000 0.0000000), wk = 0.0040161 k( 212) = ( 0.4310345 0.0000000 0.0000000), wk = 0.0040161 k( 213) = ( 0.4482759 0.0000000 0.0000000), wk = 0.0040161 k( 214) = ( 0.4655172 -0.0000000 0.0000000), wk = 0.0040161 k( 215) = ( 0.4827586 -0.0000000 0.0000000), wk = 0.0040161 k( 216) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0040161 k( 217) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040161 k( 218) = ( 0.4843750 0.0000000 0.4843750), wk = 0.0040161 k( 219) = ( 0.4687500 0.0000000 0.4687500), wk = 0.0040161 k( 220) = ( 0.4531250 0.0000000 0.4531250), wk = 0.0040161 k( 221) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0040161 k( 222) = ( 0.4218750 0.0000000 0.4218750), wk = 0.0040161 k( 223) = ( 0.4062500 0.0000000 0.4062500), wk = 0.0040161 k( 224) = ( 0.3906250 0.0000000 0.3906250), wk = 0.0040161 k( 225) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0040161 k( 226) = ( 0.3593750 0.0000000 0.3593750), wk = 0.0040161 k( 227) = ( 0.3437500 0.0000000 0.3437500), wk = 0.0040161 k( 228) = ( 0.3281250 0.0000000 0.3281250), wk = 0.0040161 k( 229) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0040161 k( 230) = ( 0.2968750 0.0000000 0.2968750), wk = 0.0040161 k( 231) = ( 0.2812500 0.0000000 0.2812500), wk = 0.0040161 k( 232) = ( 0.2656250 0.0000000 0.2656250), wk = 0.0040161 k( 233) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0040161 k( 234) = ( 0.2343750 0.0000000 0.2343750), wk = 0.0040161 k( 235) = ( 0.2187500 0.0000000 0.2187500), wk = 0.0040161 k( 236) = ( 0.2031250 0.0000000 0.2031250), wk = 0.0040161 k( 237) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0040161 k( 238) = ( 0.1718750 0.0000000 0.1718750), wk = 0.0040161 k( 239) = ( 0.1562500 0.0000000 0.1562500), wk = 0.0040161 k( 240) = ( 0.1406250 0.0000000 0.1406250), wk = 0.0040161 k( 241) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0040161 k( 242) = ( 0.1093750 0.0000000 0.1093750), wk = 0.0040161 k( 243) = ( 0.0937500 0.0000000 0.0937500), wk = 0.0040161 k( 244) = ( 0.0781250 0.0000000 0.0781250), wk = 0.0040161 k( 245) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0040161 k( 246) = ( 0.0468750 0.0000000 0.0468750), wk = 0.0040161 k( 247) = ( 0.0312500 0.0000000 0.0312500), wk = 0.0040161 k( 248) = ( 0.0156250 0.0000000 0.0156250), wk = 0.0040161 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040161 Dense grid: 37393 G-vectors FFT dimensions: ( 45, 45, 50) Smooth grid: 35089 G-vectors FFT dimensions: ( 45, 45, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 196, 58) NL pseudopotentials 0.21 Mb ( 98, 140) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 779) G-vector shells 0.01 Mb ( 779) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.69 Mb ( 196, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.25 Mb ( 140, 2, 58) The potential is recalculated from file : ./Al2Se3.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.0 secs Computing kpt #: 2 total cpu time spent up to now is 41.1 secs Computing kpt #: 3 total cpu time spent up to now is 43.0 secs Computing kpt #: 4 total cpu time spent up to now is 44.9 secs Computing kpt #: 5 total cpu time spent up to now is 46.8 secs Computing kpt #: 6 total cpu time spent up to now is 48.6 secs Computing kpt #: 7 total cpu time spent up to now is 50.6 secs Computing kpt #: 8 total cpu time spent up to now is 52.5 secs Computing kpt #: 9 total cpu time spent up to now is 54.4 secs Computing kpt #: 10 total cpu time spent up to now is 56.3 secs Computing kpt #: 11 total cpu time spent up to now is 58.2 secs Computing kpt #: 12 total cpu time spent up to now is 60.3 secs Computing kpt #: 13 total cpu time spent up to now is 62.2 secs Computing kpt #: 14 total cpu time spent up to now is 64.3 secs Computing kpt #: 15 total cpu time spent up to now is 66.2 secs Computing kpt #: 16 total cpu time spent up to now is 68.3 secs Computing kpt #: 17 total cpu time spent up to now is 70.3 secs Computing kpt #: 18 total cpu time spent up to now is 72.2 secs Computing kpt #: 19 total cpu time spent up to now is 74.2 secs Computing kpt #: 20 total cpu time spent up to now is 76.4 secs Computing kpt #: 21 total cpu time spent up to now is 78.5 secs Computing kpt #: 22 total cpu time spent up to now is 80.8 secs Computing kpt #: 23 total cpu time spent up to now is 85.4 secs Computing kpt #: 24 total cpu time spent up to now is 89.5 secs Computing kpt #: 25 total cpu time spent up to now is 92.6 secs Computing kpt #: 26 total cpu time spent up to now is 95.0 secs Computing kpt #: 27 total cpu time spent up to now is 97.0 secs Computing kpt #: 28 total cpu time spent up to now is 99.0 secs Computing kpt #: 29 total cpu time spent up to now is 101.1 secs Computing kpt #: 30 total cpu time spent up to now is 103.4 secs Computing kpt #: 31 total cpu time spent up to now is 105.7 secs Computing kpt #: 32 total cpu time spent up to now is 108.2 secs Computing kpt #: 33 total cpu time spent up to now is 110.2 secs Computing kpt #: 34 total cpu time spent up to now is 112.3 secs Computing kpt #: 35 total cpu time spent up to now is 114.5 secs Computing kpt #: 36 total cpu time spent up to now is 116.6 secs Computing kpt #: 37 total cpu time spent up to now is 118.8 secs Computing kpt #: 38 total cpu time spent up to now is 120.9 secs Computing kpt #: 39 total cpu time spent up to now is 123.2 secs Computing kpt #: 40 total cpu time spent up to now is 125.8 secs Computing kpt #: 41 total cpu time spent up to now is 128.2 secs Computing kpt #: 42 total cpu time spent up to now is 130.5 secs Computing kpt #: 43 total cpu time spent up to now is 132.6 secs Computing kpt #: 44 total cpu time spent up to now is 134.6 secs Computing kpt #: 45 total cpu time spent up to now is 137.1 secs Computing kpt #: 46 total cpu time spent up to now is 139.6 secs Computing kpt #: 47 total cpu time spent up to now is 141.7 secs Computing kpt #: 48 total cpu time spent up to now is 144.3 secs Computing kpt #: 49 total cpu time spent up to now is 146.8 secs Computing kpt #: 50 total cpu time spent up to now is 150.4 secs Computing kpt #: 51 total cpu time spent up to now is 152.3 secs Computing kpt #: 52 total cpu time spent up to now is 154.4 secs Computing kpt #: 53 total cpu time spent up to now is 156.7 secs Computing kpt #: 54 total cpu time spent up to now is 158.7 secs Computing kpt #: 55 total cpu time spent up to now is 161.0 secs Computing kpt #: 56 total cpu time spent up to now is 163.1 secs Computing kpt #: 57 total cpu time spent up to now is 165.5 secs Computing kpt #: 58 total cpu time spent up to now is 167.9 secs Computing kpt #: 59 total cpu time spent up to now is 170.1 secs Computing kpt #: 60 total cpu time spent up to now is 172.4 secs Computing kpt #: 61 total cpu time spent up to now is 174.9 secs Computing kpt #: 62 total cpu time spent up to now is 177.0 secs Computing kpt #: 63 total cpu time spent up to now is 180.5 secs Computing kpt #: 64 total cpu time spent up to now is 182.7 secs Computing kpt #: 65 total cpu time spent up to now is 184.8 secs Computing kpt #: 66 total cpu time spent up to now is 186.8 secs Computing kpt #: 67 total cpu time spent up to now is 188.9 secs Computing kpt #: 68 total cpu time spent up to now is 191.1 secs Computing kpt #: 69 total cpu time spent up to now is 194.0 secs Computing kpt #: 70 total cpu time spent up to now is 196.0 secs Computing kpt #: 71 total cpu time spent up to now is 198.1 secs Computing kpt #: 72 total cpu time spent up to now is 200.2 secs Computing kpt #: 73 total cpu time spent up to now is 203.0 secs Computing kpt #: 74 total cpu time spent up to now is 205.1 secs Computing kpt #: 75 total cpu time spent up to now is 207.1 secs Computing kpt #: 76 total cpu time spent up to now is 209.4 secs Computing kpt #: 77 total cpu time spent up to now is 211.9 secs Computing kpt #: 78 total cpu time spent up to now is 214.8 secs Computing kpt #: 79 total cpu time spent up to now is 217.3 secs Computing kpt #: 80 total cpu time spent up to now is 219.3 secs Computing kpt #: 81 total cpu time spent up to now is 221.3 secs Computing kpt #: 82 total cpu time spent up to now is 224.2 secs Computing kpt #: 83 total cpu time spent up to now is 226.9 secs Computing kpt #: 84 total cpu time spent up to now is 229.0 secs Computing kpt #: 85 total cpu time spent up to now is 231.1 secs Computing kpt #: 86 total cpu time spent up to now is 233.2 secs Computing kpt #: 87 total cpu time spent up to now is 235.3 secs Computing kpt #: 88 total cpu time spent up to now is 237.3 secs Computing kpt #: 89 total cpu time spent up to now is 239.5 secs Computing kpt #: 90 total cpu time spent up to now is 241.6 secs Computing kpt #: 91 total cpu time spent up to now is 243.7 secs Computing kpt #: 92 total cpu time spent up to now is 245.7 secs 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cpu time spent up to now is 315.6 secs Computing kpt #: 124 total cpu time spent up to now is 317.6 secs Computing kpt #: 125 total cpu time spent up to now is 319.8 secs Computing kpt #: 126 total cpu time spent up to now is 322.0 secs Computing kpt #: 127 total cpu time spent up to now is 324.1 secs Computing kpt #: 128 total cpu time spent up to now is 326.3 secs Computing kpt #: 129 total cpu time spent up to now is 328.9 secs Computing kpt #: 130 total cpu time spent up to now is 331.0 secs Computing kpt #: 131 total cpu time spent up to now is 333.1 secs Computing kpt #: 132 total cpu time spent up to now is 335.4 secs Computing kpt #: 133 total cpu time spent up to now is 337.5 secs Computing kpt #: 134 total cpu time spent up to now is 339.6 secs Computing kpt #: 135 total cpu time spent up to now is 341.6 secs Computing kpt #: 136 total cpu time spent up to now is 343.6 secs Computing kpt #: 137 total cpu time spent up to now is 345.7 secs Computing kpt #: 138 total cpu time 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to now is 381.5 secs Computing kpt #: 154 total cpu time spent up to now is 383.9 secs Computing kpt #: 155 total cpu time spent up to now is 386.7 secs Computing kpt #: 156 total cpu time spent up to now is 388.8 secs Computing kpt #: 157 total cpu time spent up to now is 390.7 secs Computing kpt #: 158 total cpu time spent up to now is 392.7 secs Computing kpt #: 159 total cpu time spent up to now is 394.8 secs Computing kpt #: 160 total cpu time spent up to now is 396.8 secs Computing kpt #: 161 total cpu time spent up to now is 398.9 secs Computing kpt #: 162 total cpu time spent up to now is 401.2 secs Computing kpt #: 163 total cpu time spent up to now is 403.4 secs Computing kpt #: 164 total cpu time spent up to now is 405.8 secs Computing kpt #: 165 total cpu time spent up to now is 407.9 secs Computing kpt #: 166 total cpu time spent up to now is 409.9 secs Computing kpt #: 167 total cpu time spent up to now is 411.9 secs Computing kpt #: 168 total cpu time spent up to now is 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Computing kpt #: 184 total cpu time spent up to now is 447.2 secs Computing kpt #: 185 total cpu time spent up to now is 449.1 secs Computing kpt #: 186 total cpu time spent up to now is 451.2 secs Computing kpt #: 187 total cpu time spent up to now is 453.1 secs Computing kpt #: 188 total cpu time spent up to now is 455.1 secs Computing kpt #: 189 total cpu time spent up to now is 457.0 secs Computing kpt #: 190 total cpu time spent up to now is 459.0 secs Computing kpt #: 191 total cpu time spent up to now is 460.9 secs Computing kpt #: 192 total cpu time spent up to now is 462.8 secs Computing kpt #: 193 total cpu time spent up to now is 464.7 secs Computing kpt #: 194 total cpu time spent up to now is 466.7 secs Computing kpt #: 195 total cpu time spent up to now is 469.0 secs Computing kpt #: 196 total cpu time spent up to now is 472.4 secs Computing kpt #: 197 total cpu time spent up to now is 474.5 secs Computing kpt #: 198 total cpu time spent up to now is 476.4 secs Computing kpt #: 199 total cpu time spent up to now is 478.4 secs Computing kpt #: 200 total cpu time spent up to now is 480.4 secs Computing kpt #: 201 total cpu time spent up to now is 482.8 secs Computing kpt #: 202 total cpu time spent up to now is 484.9 secs Computing kpt #: 203 total cpu time spent up to now is 487.1 secs Computing kpt #: 204 total cpu time spent up to now is 489.5 secs Computing kpt #: 205 total cpu time spent up to now is 491.6 secs Computing kpt #: 206 total cpu time spent up to now is 493.6 secs Computing kpt #: 207 total cpu time spent up to now is 495.7 secs Computing kpt #: 208 total cpu time spent up to now is 497.8 secs Computing kpt #: 209 total cpu time spent up to now is 500.4 secs Computing kpt #: 210 total cpu time spent up to now is 502.4 secs Computing kpt #: 211 total cpu time spent up to now is 504.4 secs Computing kpt #: 212 total cpu time spent up to now is 506.3 secs Computing kpt #: 213 total cpu time spent up to now is 508.2 secs Computing kpt #: 214 total cpu time spent up to now is 510.1 secs Computing kpt #: 215 total cpu time spent up to now is 512.0 secs Computing kpt #: 216 total cpu time spent up to now is 513.9 secs Computing kpt #: 217 total cpu time spent up to now is 515.8 secs Computing kpt #: 218 total cpu time spent up to now is 517.8 secs Computing kpt #: 219 total cpu time spent up to now is 520.5 secs Computing kpt #: 220 total cpu time spent up to now is 522.8 secs Computing kpt #: 221 total cpu time spent up to now is 525.8 secs Computing kpt #: 222 total cpu time spent up to now is 529.2 secs Computing kpt #: 223 total cpu time spent up to now is 531.4 secs Computing kpt #: 224 total cpu time spent up to now is 533.5 secs Computing kpt #: 225 total cpu time spent up to now is 535.6 secs Computing kpt #: 226 total cpu time spent up to now is 538.3 secs Computing kpt #: 227 total cpu time spent up to now is 540.5 secs Computing kpt #: 228 total cpu time spent up to now is 542.7 secs Computing kpt #: 229 total cpu time spent up to now is 544.8 secs Computing kpt #: 230 total cpu time spent up to now is 546.9 secs Computing kpt #: 231 total cpu time spent up to now is 549.3 secs Computing kpt #: 232 total cpu time spent up to now is 551.4 secs Computing kpt #: 233 total cpu time spent up to now is 553.6 secs Computing kpt #: 234 total cpu time spent up to now is 555.6 secs Computing kpt #: 235 total cpu time spent up to now is 558.0 secs Computing kpt #: 236 total cpu time spent up to now is 560.4 secs Computing kpt #: 237 total cpu time spent up to now is 562.6 secs Computing kpt #: 238 total cpu time spent up to now is 564.5 secs Computing kpt #: 239 total cpu time spent up to now is 566.4 secs Computing kpt #: 240 total cpu time spent up to now is 568.3 secs Computing kpt #: 241 total cpu time spent up to now is 570.7 secs Computing kpt #: 242 total cpu time spent up to now is 572.7 secs Computing kpt #: 243 total cpu time spent up to now is 574.6 secs Computing kpt #: 244 total cpu time spent up to now is 576.5 secs Computing kpt #: 245 total cpu time spent up to now is 578.6 secs Computing kpt #: 246 total cpu time spent up to now is 581.6 secs Computing kpt #: 247 total cpu time spent up to now is 584.3 secs Computing kpt #: 248 total cpu time spent up to now is 586.3 secs Computing kpt #: 249 total cpu time spent up to now is 588.2 secs ethr = 2.08E-11, avg # of iterations = 29.0 total cpu time spent up to now is 588.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4363 PWs) bands (ev): -9.5803 -9.5803 -8.5578 -8.5578 -8.4928 -8.4928 -8.4567 -8.4567 -7.0372 -7.0372 -6.9679 -6.9679 -2.0634 -2.0634 -1.8137 -1.8137 -1.7670 -1.7670 0.1050 0.1050 0.4851 0.4851 0.5407 0.5407 0.8328 0.8328 1.0018 1.0018 1.1072 1.1072 1.8219 1.8219 1.9765 1.9765 2.0870 2.0870 3.1226 3.1226 3.2955 3.2955 3.5993 3.5993 3.7910 3.7910 3.9695 3.9695 4.9338 4.9338 6.4876 6.4876 7.1824 7.1824 7.5981 7.5981 7.6514 7.6514 8.2699 8.2699 k = 0.0156 0.0090-0.0109 ( 4363 PWs) bands (ev): -9.5797 -9.5797 -8.5579 -8.5579 -8.4935 -8.4935 -8.4568 -8.4567 -7.0376 -7.0375 -6.9680 -6.9680 -2.0630 -2.0621 -1.8128 -1.8126 -1.7668 -1.7661 0.1011 0.1057 0.4848 0.4891 0.5363 0.5434 0.8263 0.8288 0.9996 1.0055 1.1149 1.1186 1.8199 1.8222 1.9743 1.9778 2.0864 2.0877 3.1208 3.1216 3.2877 3.2977 3.5953 3.6015 3.7862 3.7885 3.9658 3.9677 4.9326 4.9335 6.4935 6.4936 7.1833 7.1889 7.5972 7.5994 7.6498 7.6536 8.2660 8.2664 k = 0.0312 0.0180-0.0218 ( 4365 PWs) bands (ev): -9.5778 -9.5778 -8.5581 -8.5580 -8.4957 -8.4957 -8.4570 -8.4569 -7.0386 -7.0386 -6.9683 -6.9682 -2.0608 -2.0592 -1.8100 -1.8096 -1.7655 -1.7642 0.0942 0.1035 0.4871 0.4967 0.5304 0.5454 0.8118 0.8168 0.9988 1.0107 1.1394 1.1463 1.8163 1.8210 1.9712 1.9783 2.0859 2.0885 3.1162 3.1178 3.2745 3.2943 3.5898 3.6017 3.7737 3.7788 3.9569 3.9609 4.9298 4.9316 6.5110 6.5113 7.1910 7.2022 7.5965 7.6010 7.6491 7.6569 8.2551 8.2561 k = 0.0469 0.0270-0.0326 ( 4365 PWs) bands (ev): -9.5746 -9.5746 -8.5585 -8.5583 -8.4993 -8.4993 -8.4574 -8.4572 -7.0404 -7.0404 -6.9686 -6.9686 -2.0570 -2.0545 -1.8053 -1.8049 -1.7629 -1.7612 0.0848 0.0984 0.4895 0.5044 0.5256 0.5486 0.7941 0.8015 0.9992 1.0174 1.1759 1.1858 1.8115 1.8185 1.9670 1.9780 2.0859 2.0895 3.1084 3.1110 3.2562 3.2855 3.5824 3.5988 3.7533 3.7619 3.9442 3.9506 4.9255 4.9281 6.5393 6.5397 7.2052 7.2219 7.5965 7.6031 7.6496 7.6616 8.2389 8.2406 k = 0.0625 0.0360-0.0435 ( 4367 PWs) bands (ev): -9.5702 -9.5702 -8.5589 -8.5587 -8.5042 -8.5042 -8.4579 -8.4576 -7.0429 -7.0429 -6.9691 -6.9690 -2.0515 -2.0482 -1.7989 -1.7985 -1.7589 -1.7569 0.0732 0.0909 0.4878 0.4995 0.5340 0.5562 0.7773 0.7868 1.0007 1.0251 1.2201 1.2330 1.8060 1.8154 1.9616 1.9770 2.0867 2.0911 3.0972 3.1011 3.2332 3.2716 3.5718 3.5912 3.7256 3.7387 3.9295 3.9384 4.9199 4.9233 6.5768 6.5773 7.2252 7.2473 7.5973 7.6060 7.6521 7.6684 8.2191 8.2215 k = 0.0781 0.0450-0.0544 ( 4358 PWs) bands (ev): -9.5645 -9.5645 -8.5595 -8.5592 -8.5106 -8.5106 -8.4585 -8.4582 -7.0460 -7.0460 -6.9697 -6.9696 -2.0443 -2.0404 -1.7908 -1.7908 -1.7530 -1.7510 0.0600 0.0815 0.4792 0.4844 0.5527 0.5702 0.7640 0.7754 1.0028 1.0329 1.2692 1.2854 1.8005 1.8122 1.9548 1.9752 2.0885 2.0937 3.0821 3.0876 3.2060 3.2532 3.5562 3.5766 3.6925 3.7115 3.9141 3.9257 4.9130 4.9172 6.6216 6.6225 7.2500 7.2772 7.5998 7.6103 7.6576 7.6785 8.1976 8.2010 k = 0.0938 0.0540-0.0653 ( 4358 PWs) bands (ev): -9.5576 -9.5575 -8.5601 -8.5598 -8.5183 -8.5183 -8.4592 -8.4589 -7.0499 -7.0499 -6.9705 -6.9704 -2.0357 -2.0310 -1.7822 -1.7816 -1.7447 -1.7432 0.0456 0.0707 0.4641 0.4649 0.5757 0.5898 0.7554 0.7683 1.0050 1.0401 1.3212 1.3410 1.7962 1.8098 1.9464 1.9725 2.0920 2.0977 3.0626 3.0699 3.1753 3.2310 3.5322 3.5520 3.6584 3.6841 3.8987 3.9130 4.9051 4.9100 6.6719 6.6732 7.2784 7.3102 7.6041 7.6161 7.6670 7.6925 8.1758 8.1803 k = 0.1094 0.0630-0.0761 ( 4361 PWs) bands (ev): -9.5494 -9.5494 -8.5608 -8.5605 -8.5273 -8.5273 -8.4601 -8.4597 -7.0544 -7.0544 -6.9714 -6.9712 -2.0255 -2.0203 -1.7733 -1.7717 -1.7335 -1.7330 0.0304 0.0589 0.4422 0.4439 0.6016 0.6137 0.7516 0.7658 1.0068 1.0459 1.3745 1.3984 1.7939 1.8091 1.9364 1.9690 2.0973 2.1037 3.0385 3.0476 3.1414 3.2053 3.4969 3.5161 3.6276 3.6595 3.8836 3.9002 4.8962 4.9018 6.7254 6.7271 7.3093 7.3447 7.6109 7.6245 7.6817 7.7114 8.1550 8.1606 k = 0.1250 0.0720-0.0870 ( 4363 PWs) bands (ev): -9.5401 -9.5400 -8.5617 -8.5612 -8.5376 -8.5376 -8.4611 -8.4607 -7.0595 -7.0595 -6.9723 -6.9722 -2.0140 -2.0083 -1.7643 -1.7616 -1.7196 -1.7190 0.0147 0.0463 0.4173 0.4202 0.6294 0.6404 0.7520 0.7679 1.0078 1.0495 1.4276 1.4565 1.7950 1.8108 1.9249 1.9649 2.1050 2.1123 3.0097 3.0202 3.1046 3.1758 3.4514 3.4711 3.6017 3.6376 3.8683 3.8871 4.8865 4.8928 6.7798 6.7822 7.3420 7.3797 7.6208 7.6359 7.7026 7.7355 8.1360 8.1428 k = 0.1406 0.0810-0.0979 ( 4359 PWs) bands (ev): -9.5295 -9.5295 -8.5626 -8.5621 -8.5491 -8.5491 -8.4621 -8.4617 -7.0653 -7.0653 -6.9734 -6.9732 -2.0013 -1.9952 -1.7551 -1.7515 -1.7028 -1.7012 -0.0013 0.0334 0.3908 0.3941 0.6583 0.6692 0.7556 0.7744 1.0081 1.0504 1.4790 1.5140 1.8003 1.8157 1.9122 1.9606 2.1153 2.1239 2.9765 2.9878 3.0645 3.1413 3.4007 3.4216 3.5784 3.6165 3.8525 3.8732 4.8761 4.8831 6.8333 6.8366 7.3760 7.4144 7.6340 7.6509 7.7296 7.7646 8.1195 8.1277 k = 0.1562 0.0900-0.1088 ( 4357 PWs) bands (ev): -9.5178 -9.5178 -8.5636 -8.5630 -8.5618 -8.5617 -8.4633 -8.4628 -7.0716 -7.0716 -6.9746 -6.9744 -1.9874 -1.9810 -1.7456 -1.7414 -1.6827 -1.6801 -0.0173 0.0202 0.3632 0.3665 0.6870 0.6988 0.7614 0.7852 1.0082 1.0486 1.5271 1.5693 1.8106 1.8241 1.8988 1.9569 2.1285 2.1389 2.9397 2.9512 3.0201 3.1000 3.3509 3.3719 3.5552 3.5942 3.8359 3.8583 4.8652 4.8728 6.8840 6.8882 7.4111 7.4487 7.6510 7.6699 7.7621 7.7978 8.1059 8.1157 k = 0.1719 0.0990-0.1197 ( 4358 PWs) bands (ev): -9.5050 -9.5050 -8.5757 -8.5756 -8.5646 -8.5640 -8.4646 -8.4640 -7.0785 -7.0785 -6.9758 -6.9756 -1.9725 -1.9661 -1.7354 -1.7311 -1.6593 -1.6561 -0.0331 0.0070 0.3350 0.3379 0.7141 0.7285 0.7680 0.8003 1.0096 1.0446 1.5700 1.6207 1.8256 1.8360 1.8861 1.9549 2.1448 2.1576 2.9003 2.9115 2.9708 3.0501 3.3062 3.3250 3.5307 3.5698 3.8181 3.8419 4.8539 4.8621 6.9306 6.9358 7.4475 7.4830 7.6715 7.6929 7.7982 7.8336 8.0958 8.1072 k = 0.1875 0.1080-0.1305 ( 4360 PWs) bands (ev): -9.4911 -9.4911 -8.5906 -8.5905 -8.5657 -8.5651 -8.4659 -8.4653 -7.0858 -7.0858 -6.9771 -6.9769 -1.9567 -1.9504 -1.7245 -1.7204 -1.6329 -1.6291 -0.0488 -0.0062 0.3063 0.3087 0.7383 0.7568 0.7738 0.8188 1.0141 1.0401 1.6059 1.6660 1.8415 1.8506 1.8791 1.9563 2.1646 2.1800 2.8594 2.8698 2.9166 2.9919 3.2688 3.2827 3.5038 3.5426 3.7989 3.8239 4.8424 4.8511 6.9721 6.9784 7.4855 7.5182 7.6949 7.7190 7.8356 7.8701 8.0896 8.1027 k = 0.2031 0.1170-0.1414 ( 4365 PWs) bands (ev): -9.4761 -9.4761 -8.6065 -8.6065 -8.5668 -8.5662 -8.4672 -8.4667 -7.0936 -7.0936 -6.9784 -6.9782 -1.9403 -1.9343 -1.7126 -1.7090 -1.6037 -1.5994 -0.0641 -0.0192 0.2771 0.2790 0.7589 0.7736 0.7864 0.8385 1.0243 1.0378 1.6331 1.7023 1.8465 1.8667 1.8914 1.9629 2.1879 2.2058 2.8181 2.8268 2.8593 2.9274 3.2381 3.2455 3.4743 3.5124 3.7781 3.8040 4.8308 4.8401 7.0082 7.0156 7.5254 7.5551 7.7202 7.7471 7.8716 7.9051 8.0877 8.1026 k = 0.2188 0.1260-0.1523 ( 4363 PWs) bands (ev): -9.4601 -9.4601 -8.6235 -8.6234 -8.5679 -8.5673 -8.4687 -8.4681 -7.1017 -7.1017 -6.9798 -6.9796 -1.9234 -1.9178 -1.6998 -1.6970 -1.5716 -1.5670 -0.0791 -0.0322 0.2474 0.2488 0.7714 0.7757 0.8114 0.8554 1.0420 1.0421 1.6509 1.7249 1.8477 1.8829 1.9190 1.9758 2.2140 2.2338 2.7774 2.7808 2.8044 2.8598 3.2129 3.2130 3.4420 3.4792 3.7556 3.7822 4.8193 4.8291 7.0393 7.0476 7.5674 7.5940 7.7459 7.7754 7.9031 7.9360 8.0905 8.1070 k = 0.2344 0.1350-0.1632 ( 4368 PWs) bands (ev): -9.4431 -9.4430 -8.6413 -8.6413 -8.5690 -8.5684 -8.4701 -8.4695 -7.1101 -7.1101 -6.9812 -6.9810 -1.9061 -1.9011 -1.6861 -1.6842 -1.5368 -1.5319 -0.0936 -0.0450 0.2171 0.2180 0.7626 0.7877 0.8359 0.8668 1.0566 1.0675 1.6595 1.7303 1.8585 1.8984 1.9510 1.9947 2.2417 2.2614 2.7293 2.7383 2.7591 2.7929 3.1844 3.1916 3.4069 3.4431 3.7316 3.7587 4.8081 4.8183 7.0657 7.0748 7.6112 7.6348 7.7705 7.8021 7.9270 7.9598 8.0982 8.1162 k = 0.2500 0.1440-0.1741 ( 4372 PWs) bands (ev): -9.4251 -9.4251 -8.6601 -8.6600 -8.5702 -8.5696 -8.4716 -8.4710 -7.1188 -7.1187 -6.9826 -6.9824 -1.8887 -1.8845 -1.6715 -1.6708 -1.4994 -1.4942 -0.1078 -0.0577 0.1860 0.1866 0.7483 0.7921 0.8599 0.8750 1.0821 1.0998 1.6599 1.7216 1.8784 1.9133 1.9836 2.0179 2.2681 2.2843 2.6801 2.7009 2.7221 2.7315 3.1590 3.1734 3.3693 3.4045 3.7060 3.7334 4.7974 4.8080 7.0881 7.0979 7.6559 7.6769 7.7925 7.8255 7.9400 7.9735 8.1106 8.1299 k = 0.2656 0.1531-0.1849 ( 4376 PWs) bands (ev): -9.4063 -9.4062 -8.6797 -8.6796 -8.5713 -8.5707 -8.4731 -8.4724 -7.1275 -7.1275 -6.9840 -6.9838 -1.8713 -1.8679 -1.6568 -1.6560 -1.4594 -1.4540 -0.1215 -0.0703 0.1540 0.1543 0.7300 0.7866 0.8839 0.8852 1.1161 1.1371 1.6540 1.7052 1.9022 1.9276 2.0151 2.0429 2.2885 2.2958 2.6434 2.6636 2.6832 2.6907 3.1364 3.1578 3.3294 3.3638 3.6791 3.7068 4.7873 4.7982 7.1074 7.1176 7.7000 7.7185 7.8113 7.8449 7.9397 7.9742 8.1271 8.1475 k = 0.2812 0.1621-0.1958 ( 4378 PWs) bands (ev): -9.3866 -9.3865 -8.7000 -8.6999 -8.5724 -8.5718 -8.4745 -8.4739 -7.1363 -7.1363 -6.9854 -6.9852 -1.8541 -1.8517 -1.6421 -1.6400 -1.4169 -1.4113 -0.1347 -0.0829 0.1208 0.1210 0.7090 0.7722 0.8995 0.9081 1.1555 1.1776 1.6433 1.6852 1.9262 1.9412 2.0445 2.0675 2.2894 2.2961 2.6265 2.6303 2.6517 2.6654 3.1163 3.1446 3.2877 3.3215 3.6511 3.6789 4.7780 4.7890 7.1242 7.1346 7.7401 7.7550 7.8275 7.8600 7.9269 7.9613 8.1469 8.1683 k = 0.2969 0.1711-0.2067 ( 4379 PWs) bands (ev): -9.3661 -9.3660 -8.7210 -8.7210 -8.5735 -8.5729 -8.4760 -8.4754 -7.1451 -7.1450 -6.9868 -6.9865 -1.8372 -1.8359 -1.6271 -1.6235 -1.3722 -1.3664 -0.1474 -0.0955 0.0862 0.0865 0.6866 0.7520 0.9171 0.9327 1.1979 1.2201 1.6293 1.6635 1.9488 1.9536 2.0710 2.0896 2.2653 2.2853 2.6123 2.6269 2.6315 2.6493 3.0989 3.1339 3.2448 3.2782 3.6223 3.6501 4.7696 4.7808 7.1390 7.1494 7.7675 7.7726 7.8440 7.8708 7.9114 7.9421 8.1690 8.1911 k = 0.3125 0.1801-0.2176 ( 4379 PWs) bands (ev): -9.3448 -9.3448 -8.7427 -8.7427 -8.5745 -8.5739 -8.4774 -8.4768 -7.1536 -7.1536 -6.9881 -6.9879 -1.8209 -1.8205 -1.6118 -1.6067 -1.3252 -1.3193 -0.1595 -0.1081 0.0500 0.0506 0.6636 0.7288 0.9368 0.9577 1.2418 1.2632 1.6133 1.6411 1.9642 1.9688 2.0940 2.1059 2.2322 2.2574 2.6045 2.6238 2.6268 2.6567 3.0846 3.1257 3.2014 3.2348 3.5930 3.6208 4.7623 4.7734 7.1521 7.1623 7.7529 7.7640 7.8580 7.8766 7.9162 7.9376 8.1924 8.2153 k = 0.3281 0.1891-0.2284 ( 4384 PWs) bands (ev): -9.3229 -9.3228 -8.7650 -8.7650 -8.5755 -8.5749 -8.4787 -8.4782 -7.1620 -7.1620 -6.9893 -6.9891 -1.8058 -1.8051 -1.5964 -1.5900 -1.2762 -1.2703 -0.1710 -0.1207 0.0122 0.0132 0.6408 0.7042 0.9578 0.9829 1.2859 1.3059 1.5963 1.6187 1.9717 1.9846 2.1095 2.1125 2.2044 2.2207 2.5983 2.6173 2.6388 2.6793 3.0737 3.1196 3.1592 3.1923 3.5635 3.5912 4.7561 4.7671 7.1639 7.1738 7.7019 7.7217 7.8640 7.8800 7.9448 7.9573 8.2168 8.2405 k = 0.3438 0.1981-0.2393 ( 4387 PWs) bands (ev): -9.3003 -9.3003 -8.7879 -8.7878 -8.5764 -8.5759 -8.4800 -8.4795 -7.1700 -7.1700 -6.9905 -6.9903 -1.7917 -1.7902 -1.5810 -1.5736 -1.2255 -1.2194 -0.1819 -0.1335 -0.0275 -0.0257 0.6189 0.6793 0.9797 1.0083 1.3294 1.3469 1.5793 1.5969 1.9737 1.9937 2.0947 2.1246 2.1860 2.1951 2.5966 2.6147 2.6570 2.7031 3.0663 3.1047 3.1299 3.1525 3.5344 3.5618 4.7510 4.7618 7.1744 7.1838 7.6362 7.6577 7.8670 7.8823 7.9798 7.9876 8.2418 8.2667 k = 0.3594 0.2071-0.2502 ( 4384 PWs) bands (ev): -9.2773 -9.2772 -8.8112 -8.8111 -8.5772 -8.5767 -8.4812 -8.4807 -7.1776 -7.1776 -6.9916 -6.9914 -1.7785 -1.7763 -1.5661 -1.5579 -1.1731 -1.1671 -0.1920 -0.1467 -0.0688 -0.0657 0.5982 0.6549 1.0022 1.0337 1.3712 1.3848 1.5635 1.5761 1.9653 1.9916 2.0743 2.1254 2.1675 2.1992 2.5998 2.6157 2.6753 2.7233 3.0599 3.0679 3.1193 3.1278 3.5061 3.5331 4.7472 4.7575 7.1839 7.1926 7.5652 7.5860 7.8685 7.8830 8.0132 8.0185 8.2679 8.2938 k = 0.3750 0.2161-0.2611 ( 4384 PWs) bands (ev): -9.2537 -9.2537 -8.8349 -8.8349 -8.5780 -8.5775 -8.4823 -8.4819 -7.1846 -7.1846 -6.9926 -6.9925 -1.7661 -1.7634 -1.5516 -1.5430 -1.1196 -1.1136 -0.2017 -0.1614 -0.1114 -0.1059 0.5793 0.6315 1.0251 1.0587 1.4104 1.4173 1.5509 1.5570 1.9432 1.9742 2.0635 2.1194 2.1673 2.2069 2.6071 2.6192 2.6909 2.7381 3.0293 3.0453 3.1027 3.1332 3.4791 3.5054 4.7445 4.7542 7.1923 7.2003 7.4944 7.5134 7.8687 7.8819 8.0425 8.0464 8.2950 8.3221 k = 0.3906 0.2251-0.2720 ( 4384 PWs) bands (ev): -9.2298 -9.2298 -8.8589 -8.8589 -8.5787 -8.5783 -8.4833 -8.4829 -7.1911 -7.1910 -6.9936 -6.9934 -1.7547 -1.7517 -1.5380 -1.5293 -1.0653 -1.0594 -0.2117 -0.1814 -0.1542 -0.1417 0.5624 0.6095 1.0480 1.0831 1.4406 1.4450 1.5410 1.5450 1.9124 1.9449 2.0628 2.1187 2.1726 2.2149 2.6167 2.6235 2.7026 2.7472 2.9936 3.0198 3.1054 3.1420 3.4541 3.4792 4.7428 4.7519 7.1998 7.2068 7.4271 7.4439 7.8678 7.8796 8.0667 8.0695 8.3234 8.3514 k = 0.4062 0.2341-0.2828 ( 4392 PWs) bands (ev): -9.2057 -9.2056 -8.8831 -8.8831 -8.5793 -8.5789 -8.4842 -8.4839 -7.1968 -7.1968 -6.9944 -6.9943 -1.7445 -1.7414 -1.5255 -1.5170 -1.0108 -1.0050 -0.2271 -0.2145 -0.1914 -0.1652 0.5477 0.5892 1.0707 1.1064 1.4504 1.4704 1.5323 1.5497 1.8800 1.9109 2.0674 2.1219 2.1790 2.2218 2.6271 2.6275 2.7106 2.7514 2.9620 2.9925 3.1172 3.1526 3.4316 3.4550 4.7421 4.7502 7.2062 7.2122 7.3654 7.3798 7.8660 7.8762 8.0857 8.0877 8.3531 8.3816 k = 0.4219 0.2431-0.2937 ( 4395 PWs) bands (ev): -9.1815 -9.1814 -8.9074 -8.9073 -8.5798 -8.5795 -8.4850 -8.4847 -7.2018 -7.2018 -6.9951 -6.9950 -1.7354 -1.7325 -1.5142 -1.5064 -0.9568 -0.9513 -0.2606 -0.2565 -0.2097 -0.1795 0.5355 0.5709 1.0928 1.1278 1.4487 1.4771 1.5396 1.5630 1.8502 1.8775 2.0744 2.1256 2.1860 2.2272 2.6304 2.6367 2.7155 2.7521 2.9356 2.9676 3.1322 3.1637 3.4122 3.4332 4.7422 4.7492 7.2116 7.2164 7.3109 7.3228 7.8638 7.8722 8.1000 8.1014 8.3838 8.4121 k = 0.4375 0.2521-0.3046 ( 4392 PWs) bands (ev): -9.1575 -9.1574 -8.9314 -8.9314 -8.5802 -8.5800 -8.4857 -8.4854 -7.2060 -7.2060 -6.9957 -6.9956 -1.7278 -1.7251 -1.5045 -1.4977 -0.9047 -0.8996 -0.3034 -0.3007 -0.2165 -0.1903 0.5261 0.5549 1.1138 1.1464 1.4418 1.4695 1.5580 1.5784 1.8251 1.8475 2.0826 2.1278 2.1937 2.2309 2.6325 2.6440 2.7186 2.7502 2.9154 2.9462 3.1476 3.1740 3.3964 3.4143 4.7427 4.7486 7.2159 7.2191 7.2658 7.2747 7.8614 7.8682 8.1104 8.1114 8.4147 8.4417 k = 0.4531 0.2611-0.3155 ( 4391 PWs) bands (ev): -9.1342 -9.1341 -8.9547 -8.9547 -8.5805 -8.5804 -8.4861 -8.4860 -7.2093 -7.2093 -6.9961 -6.9960 -1.7216 -1.7194 -1.4964 -1.4910 -0.8562 -0.8517 -0.3458 -0.3433 -0.2196 -0.1993 0.5194 0.5414 1.1332 1.1612 1.4346 1.4583 1.5765 1.5917 1.8059 1.8226 2.0912 2.1277 2.2019 2.2324 2.6343 2.6481 2.7210 2.7466 2.9016 2.9285 3.1618 3.1823 3.3846 3.3986 4.7436 4.7481 7.2170 7.2181 7.2341 7.2373 7.8593 7.8644 8.1176 8.1182 8.4445 8.4685 k = 0.4688 0.2701-0.3263 ( 4396 PWs) bands (ev): -9.1126 -9.1125 -8.9763 -8.9763 -8.5808 -8.5806 -8.4865 -8.4864 -7.2117 -7.2117 -6.9964 -6.9964 -1.7169 -1.7154 -1.4902 -1.4864 -0.8145 -0.8110 -0.3829 -0.3808 -0.2205 -0.2066 0.5157 0.5305 1.1501 1.1708 1.4297 1.4473 1.5911 1.6010 1.7929 1.8038 2.0998 2.1254 2.2100 2.2317 2.6366 2.6488 2.7237 2.7420 2.8943 2.9143 3.1737 3.1877 3.3769 3.3865 4.7447 4.7477 7.1990 7.2044 7.2248 7.2273 7.8578 7.8611 8.1222 8.1226 8.4712 8.4898 k = 0.4844 0.2791-0.3372 ( 4392 PWs) bands (ev): -9.0952 -9.0952 -8.9936 -8.9936 -8.5809 -8.5808 -8.4867 -8.4866 -7.2131 -7.2131 -6.9966 -6.9966 -1.7139 -1.7132 -1.4860 -1.4841 -0.7847 -0.7828 -0.4093 -0.4080 -0.2195 -0.2125 0.5149 0.5224 1.1633 1.1745 1.4285 1.4379 1.6008 1.6056 1.7862 1.7915 2.1079 2.1211 2.2175 2.2288 2.6397 2.6468 2.7273 2.7368 2.8927 2.9034 3.1825 3.1897 3.3732 3.3782 4.7457 4.7472 7.1846 7.1873 7.2257 7.2270 7.8570 7.8587 8.1248 8.1250 8.4918 8.5023 k = 0.5000 0.2881-0.3481 ( 4396 PWs) bands (ev): -9.0879 -9.0879 -9.0009 -9.0009 -8.5809 -8.5809 -8.4867 -8.4867 -7.2136 -7.2136 -6.9967 -6.9967 -1.7127 -1.7127 -1.4839 -1.4839 -0.7730 -0.7730 -0.4187 -0.4187 -0.2168 -0.2168 0.5171 0.5171 1.1718 1.1718 1.4313 1.4313 1.6056 1.6056 1.7857 1.7857 2.1151 2.1151 2.2240 2.2240 2.6433 2.6433 2.7318 2.7318 2.8961 2.8961 3.1879 3.1879 3.3737 3.3737 4.7466 4.7466 7.1805 7.1805 7.2266 7.2266 7.8573 7.8573 8.1257 8.1257 8.5030 8.5030 k = 0.5000 0.2881-0.3481 ( 4396 PWs) bands (ev): -9.0879 -9.0879 -9.0009 -9.0009 -8.5809 -8.5809 -8.4867 -8.4867 -7.2136 -7.2136 -6.9967 -6.9967 -1.7127 -1.7127 -1.4839 -1.4839 -0.7730 -0.7730 -0.4187 -0.4187 -0.2168 -0.2168 0.5171 0.5171 1.1718 1.1718 1.4313 1.4313 1.6056 1.6056 1.7857 1.7857 2.1151 2.1151 2.2240 2.2240 2.6433 2.6433 2.7318 2.7318 2.8961 2.8961 3.1879 3.1879 3.3737 3.3737 4.7466 4.7466 7.1805 7.1805 7.2266 7.2266 7.8573 7.8573 8.1257 8.1257 8.5030 8.5030 k = 0.5090 0.2933-0.3309 ( 4397 PWs) bands (ev): -9.0874 -9.0874 -9.0004 -9.0004 -8.5866 -8.5862 -8.4829 -8.4824 -7.2133 -7.2133 -6.9966 -6.9966 -1.7235 -1.7098 -1.4830 -1.4719 -0.7762 -0.7745 -0.4204 -0.4169 -0.2177 -0.2122 0.5157 0.5163 1.1689 1.1759 1.4145 1.4313 1.6046 1.6060 1.7849 1.7978 2.1134 2.1141 2.2195 2.2273 2.6430 2.6439 2.7322 2.7339 2.8972 2.9007 3.1870 3.1873 3.3730 3.3742 4.7444 4.7451 7.1828 7.1829 7.2264 7.2285 7.8537 7.8581 8.1254 8.1255 8.5085 8.5108 k = 0.5180 0.2985-0.3136 ( 4394 PWs) bands (ev): -9.0858 -9.0857 -8.9987 -8.9987 -8.6010 -8.6003 -8.4729 -8.4722 -7.2125 -7.2125 -6.9963 -6.9963 -1.7398 -1.7150 -1.4689 -1.4494 -0.7840 -0.7806 -0.4222 -0.4151 -0.2150 -0.2038 0.5120 0.5134 1.1669 1.1810 1.3842 1.4139 1.6040 1.6051 1.7949 1.8182 2.1085 2.1107 2.2139 2.2300 2.6430 2.6447 2.7354 2.7384 2.9039 2.9110 3.1844 3.1851 3.3721 3.3745 4.7386 4.7399 7.1896 7.1900 7.2278 7.2320 7.8478 7.8565 8.1245 8.1249 8.5270 8.5313 k = 0.5270 0.3037-0.2964 ( 4392 PWs) bands (ev): -9.0831 -9.0830 -8.9959 -8.9959 -8.6207 -8.6199 -8.4602 -8.4594 -7.2111 -7.2111 -6.9958 -6.9958 -1.7588 -1.7263 -1.4438 -1.4193 -0.7963 -0.7912 -0.4241 -0.4134 -0.2085 -0.1917 0.5061 0.5084 1.1653 1.1869 1.3446 1.3820 1.6032 1.6043 1.8124 1.8427 2.1004 2.1045 2.2076 2.2330 2.6433 2.6456 2.7413 2.7454 2.9162 2.9268 3.1802 3.1815 3.3711 3.3748 4.7292 4.7312 7.2008 7.2016 7.2305 7.2369 7.8409 7.8539 8.1229 8.1237 8.5570 8.5627 k = 0.5360 0.3089-0.2792 ( 4387 PWs) bands (ev): -9.0793 -9.0792 -8.9921 -8.9920 -8.6436 -8.6428 -8.4469 -8.4460 -7.2092 -7.2091 -6.9952 -6.9951 -1.7784 -1.7407 -1.4107 -1.3835 -0.8127 -0.8062 -0.4263 -0.4120 -0.1985 -0.1758 0.4981 0.5017 1.1623 1.1931 1.3001 1.3400 1.6007 1.6051 1.8334 1.8672 2.0895 2.0952 2.2016 2.2369 2.6436 2.6465 2.7501 2.7549 2.9338 2.9477 3.1745 3.1766 3.3700 3.3752 4.7162 4.7188 7.2161 7.2175 7.2343 7.2429 7.8349 7.8521 8.1200 8.1214 8.5963 8.6021 k = 0.5450 0.3140-0.2619 ( 4388 PWs) bands (ev): -9.0744 -9.0744 -8.9871 -8.9871 -8.6687 -8.6679 -8.4341 -8.4331 -7.2068 -7.2067 -6.9945 -6.9943 -1.7976 -1.7562 -1.3717 -1.3435 -0.8331 -0.8252 -0.4290 -0.4109 -0.1851 -0.1563 0.4883 0.4935 1.1532 1.1974 1.2572 1.2931 1.5978 1.6059 1.8549 1.8880 2.0776 2.0824 2.1973 2.2422 2.6440 2.6473 2.7618 2.7667 2.9563 2.9734 3.1676 3.1709 3.3691 3.3759 4.6995 4.7028 7.2339 7.2340 7.2417 7.2504 7.8321 7.8535 8.1154 8.1175 8.6344 8.6397 k = 0.5540 0.3192-0.2447 ( 4390 PWs) bands (ev): -9.0685 -9.0684 -8.9811 -8.9810 -8.6954 -8.6945 -8.4221 -8.4211 -7.2038 -7.2037 -6.9936 -6.9934 -1.8156 -1.7715 -1.3283 -1.3000 -0.8569 -0.8479 -0.4323 -0.4103 -0.1683 -0.1330 0.4769 0.4843 1.1267 1.1905 1.2283 1.2527 1.5944 1.6066 1.8739 1.9007 2.0667 2.0679 2.1954 2.2487 2.6444 2.6481 2.7761 2.7808 2.9832 3.0033 3.1599 3.1647 3.3685 3.3772 4.6793 4.6834 7.2388 7.2465 7.2640 7.2661 7.8348 7.8602 8.1082 8.1112 8.6110 8.6230 k = 0.5631 0.3244-0.2275 ( 4394 PWs) bands (ev): -9.0616 -9.0615 -8.9740 -8.9740 -8.7233 -8.7225 -8.4113 -8.4103 -7.2003 -7.2002 -6.9927 -6.9925 -1.8321 -1.7858 -1.2814 -1.2535 -0.8839 -0.8740 -0.4366 -0.4106 -0.1485 -0.1063 0.4642 0.4747 1.0785 1.1514 1.2187 1.2411 1.5906 1.6068 1.8878 1.9012 2.0500 2.0642 2.1962 2.2565 2.6448 2.6489 2.7928 2.7968 3.0139 3.0366 3.1517 3.1588 3.3685 3.3794 4.6558 4.6606 7.2396 7.2505 7.2920 7.2922 7.8449 7.8744 8.0975 8.1016 8.5832 8.5971 k = 0.5721 0.3296-0.2102 ( 4387 PWs) bands (ev): -9.0536 -9.0535 -8.9659 -8.9659 -8.7523 -8.7515 -8.4018 -8.4008 -7.1963 -7.1961 -6.9917 -6.9915 -1.8467 -1.7987 -1.2315 -1.2047 -0.9137 -0.9031 -0.4420 -0.4118 -0.1260 -0.0761 0.4508 0.4652 1.0181 1.0933 1.2192 1.2457 1.5864 1.6066 1.8882 1.8933 2.0353 2.0678 2.1994 2.2651 2.6453 2.6498 2.8115 2.8144 3.0477 3.0718 3.1439 3.1544 3.3696 3.3831 4.6291 4.6347 7.2375 7.2503 7.3226 7.3241 7.8636 7.8971 8.0826 8.0880 8.5583 8.5737 k = 0.5811 0.3348-0.1930 ( 4393 PWs) bands (ev): -9.0447 -9.0446 -8.9569 -8.9568 -8.7821 -8.7813 -8.3936 -8.3927 -7.1918 -7.1917 -6.9908 -6.9905 -1.8595 -1.8101 -1.1791 -1.1538 -0.9455 -0.9348 -0.4488 -0.4143 -0.1013 -0.0429 0.4373 0.4567 0.9521 1.0295 1.2240 1.2539 1.5817 1.6057 1.8643 1.8874 2.0258 2.0760 2.2046 2.2744 2.6460 2.6510 2.8317 2.8332 3.0834 3.1045 3.1374 3.1559 3.3723 3.3889 4.5996 4.6061 7.2324 7.2467 7.3564 7.3590 7.8910 7.9285 8.0628 8.0698 8.5383 8.5547 k = 0.5901 0.3400-0.1758 ( 4387 PWs) bands (ev): -9.0347 -9.0346 -8.9468 -8.9467 -8.8125 -8.8117 -8.3868 -8.3858 -7.1869 -7.1867 -6.9899 -6.9896 -1.8705 -1.8198 -1.1246 -1.1023 -0.9781 -0.9686 -0.4574 -0.4184 -0.0750 -0.0072 0.4244 0.4501 0.8833 0.9634 1.2306 1.2629 1.5765 1.6041 1.8333 1.8698 2.0223 2.0853 2.2113 2.2840 2.6470 2.6526 2.8526 2.8530 3.1157 3.1224 3.1369 3.1751 3.3778 3.3976 4.5677 4.5750 7.2249 7.2405 7.3926 7.3965 7.9262 7.9678 8.0386 8.0472 8.5245 8.5416 k = 0.5991 0.3452-0.1585 ( 4391 PWs) bands (ev): -9.0239 -9.0237 -8.9358 -8.9358 -8.8435 -8.8427 -8.3813 -8.3804 -7.1816 -7.1814 -6.9891 -6.9888 -1.8795 -1.8279 -1.0700 -1.0588 -1.0026 -1.0025 -0.4680 -0.4245 -0.0482 0.0303 0.4132 0.4467 0.8132 0.8962 1.2380 1.2717 1.5706 1.6017 1.7979 1.8434 2.0223 2.0933 2.2190 2.2934 2.6483 2.6549 2.8722 2.8748 3.1230 3.1267 3.1636 3.2095 3.3874 3.4105 4.5337 4.5419 7.2156 7.2325 7.4293 7.4346 7.9646 8.0084 8.0138 8.0261 8.5172 8.5350 k = 0.5991 0.3452-0.1585 ( 4391 PWs) bands (ev): -9.0239 -9.0237 -8.9358 -8.9358 -8.8435 -8.8427 -8.3813 -8.3804 -7.1816 -7.1814 -6.9891 -6.9888 -1.8795 -1.8279 -1.0700 -1.0588 -1.0026 -1.0025 -0.4680 -0.4245 -0.0482 0.0303 0.4132 0.4467 0.8132 0.8962 1.2380 1.2717 1.5706 1.6017 1.7979 1.8434 2.0223 2.0933 2.2190 2.2934 2.6483 2.6549 2.8722 2.8748 3.1230 3.1267 3.1636 3.2095 3.3874 3.4105 4.5337 4.5419 7.2156 7.2325 7.4293 7.4346 7.9646 8.0084 8.0138 8.0261 8.5172 8.5350 k = 0.5936 0.3420-0.1392 ( 4392 PWs) bands (ev): -9.0248 -9.0246 -8.9191 -8.9191 -8.8614 -8.8606 -8.3803 -8.3793 -7.1779 -7.1777 -6.9903 -6.9900 -1.8904 -1.8390 -1.0799 -1.0636 -1.0220 -0.9991 -0.4600 -0.4140 -0.0330 0.0579 0.4237 0.4655 0.7682 0.8559 1.2608 1.2956 1.5634 1.5955 1.7819 1.8301 2.0068 2.0858 2.2273 2.3024 2.6409 2.6460 2.8818 2.8826 3.1396 3.1405 3.1954 3.2528 3.4062 3.4414 4.5167 4.5262 7.1721 7.1902 7.4192 7.4264 7.9641 7.9839 8.0063 8.0463 8.5097 8.5265 k = 0.5881 0.3388-0.1199 ( 4388 PWs) bands (ev): -9.0294 -9.0292 -8.8980 -8.8979 -8.8789 -8.8781 -8.3801 -8.3792 -7.1737 -7.1734 -6.9918 -6.9915 -1.9007 -1.8498 -1.1273 -1.1086 -0.9936 -0.9729 -0.4514 -0.4033 -0.0205 0.0808 0.4426 0.4900 0.7239 0.8152 1.2840 1.3205 1.5565 1.5887 1.7655 1.8157 1.9929 2.0786 2.2349 2.3102 2.6341 2.6382 2.8882 2.8916 3.1535 3.1551 3.2243 3.2915 3.4352 3.4804 4.5005 4.5112 7.1250 7.1441 7.4105 7.4196 7.9315 7.9486 8.0325 8.0785 8.5034 8.5195 k = 0.5826 0.3357-0.1005 ( 4390 PWs) bands (ev): -9.0356 -9.0354 -8.8959 -8.8951 -8.8746 -8.8746 -8.3810 -8.3801 -7.1689 -7.1686 -6.9935 -6.9932 -1.9102 -1.8600 -1.1797 -1.1602 -0.9603 -0.9438 -0.4437 -0.3934 -0.0111 0.0979 0.4705 0.5196 0.6809 0.7745 1.3071 1.3453 1.5506 1.5823 1.7491 1.8005 1.9808 2.0718 2.2408 2.3157 2.6288 2.6323 2.8940 2.8991 3.1663 3.1697 3.2494 3.3216 3.4763 3.5264 4.4853 4.4969 7.0769 7.0967 7.4031 7.4139 7.8944 7.9119 8.0635 8.1115 8.4982 8.5139 k = 0.5771 0.3325-0.0812 ( 4392 PWs) bands (ev): -9.0421 -9.0419 -8.9124 -8.9117 -8.8501 -8.8501 -8.3830 -8.3821 -7.1635 -7.1633 -6.9955 -6.9952 -1.9188 -1.8692 -1.2336 -1.2132 -0.9265 -0.9142 -0.4374 -0.3852 -0.0046 0.1095 0.5068 0.5507 0.6423 0.7340 1.3291 1.3690 1.5461 1.5769 1.7335 1.7854 1.9704 2.0654 2.2442 2.3181 2.6257 2.6292 2.8994 2.9050 3.1790 3.1835 3.2709 3.3437 3.5273 3.5778 4.4711 4.4835 7.0299 7.0504 7.3968 7.4093 7.8566 7.8748 8.0946 8.1434 8.4938 8.5094 k = 0.5716 0.3293-0.0618 ( 4392 PWs) bands (ev): -9.0485 -9.0483 -8.9283 -8.9276 -8.8250 -8.8250 -8.3860 -8.3852 -7.1577 -7.1575 -6.9979 -6.9976 -1.9261 -1.8774 -1.2876 -1.2662 -0.8924 -0.8846 -0.4331 -0.3791 -0.0007 0.1164 0.5498 0.5630 0.6277 0.6943 1.3491 1.3905 1.5434 1.5731 1.7193 1.7710 1.9617 2.0597 2.2446 2.3170 2.6252 2.6294 2.9039 2.9092 3.1918 3.1963 3.2892 3.3602 3.5844 3.6328 4.4578 4.4708 6.9861 7.0070 7.3913 7.4052 7.8191 7.8381 8.1241 8.1730 8.4897 8.5057 k = 0.5661 0.3262-0.0425 ( 4391 PWs) bands (ev): -9.0546 -9.0543 -8.9436 -8.9429 -8.7998 -8.7998 -8.3902 -8.3893 -7.1515 -7.1512 -7.0005 -7.0003 -1.9319 -1.8841 -1.3411 -1.3186 -0.8584 -0.8552 -0.4309 -0.3754 0.0013 0.1201 0.5341 0.5953 0.6579 0.6587 1.3661 1.4085 1.5426 1.5712 1.7069 1.7578 1.9552 2.0551 2.2419 2.3125 2.6274 2.6328 2.9075 2.9114 3.2046 3.2079 3.3049 3.3733 3.6444 3.6900 4.4454 4.4586 6.9470 6.9680 7.3860 7.4010 7.7832 7.8024 8.1511 8.1994 8.4856 8.5026 k = 0.5605 0.3230-0.0232 ( 4401 PWs) bands (ev): -9.0600 -9.0597 -8.9582 -8.9575 -8.7747 -8.7746 -8.3954 -8.3946 -7.1449 -7.1446 -7.0036 -7.0033 -1.9361 -1.8893 -1.3934 -1.3699 -0.8259 -0.8243 -0.4310 -0.3742 0.0020 0.1220 0.4945 0.6042 0.6624 0.7037 1.3791 1.4217 1.5437 1.5711 1.6967 1.7461 1.9514 2.0519 2.2365 2.3049 2.6321 2.6393 2.9097 2.9114 3.2175 3.2187 3.3182 3.3838 3.7055 3.7480 4.4336 4.4467 6.9138 6.9348 7.3803 7.3957 7.7497 7.7684 8.1751 8.2219 8.4809 8.4994 k = 0.5550 0.3198-0.0038 ( 4403 PWs) bands (ev): -9.0647 -9.0644 -8.9721 -8.9715 -8.7497 -8.7496 -8.4019 -8.4011 -7.1379 -7.1376 -7.0070 -7.0067 -1.9384 -1.8926 -1.4443 -1.4197 -0.7970 -0.7904 -0.4333 -0.3753 0.0023 0.1232 0.4534 0.5692 0.7137 0.7528 1.3874 1.4296 1.5465 1.5729 1.6887 1.7359 1.9509 2.0508 2.2286 2.2949 2.6391 2.6482 2.9089 2.9102 3.2287 3.2306 3.3294 3.3924 3.7663 3.8057 4.4222 4.4348 6.8874 6.9083 7.3733 7.3882 7.7199 7.7374 8.1956 8.2398 8.4754 8.4959 k = 0.5495 0.3166 0.0155 ( 4405 PWs) bands (ev): -9.0687 -9.0684 -8.9852 -8.9846 -8.7249 -8.7248 -8.4095 -8.4087 -7.1307 -7.1304 -7.0108 -7.0105 -1.9386 -1.8939 -1.4934 -1.4678 -0.7685 -0.7567 -0.4377 -0.3787 0.0028 0.1248 0.4123 0.5312 0.7699 0.8037 1.3905 1.4316 1.5507 1.5762 1.6825 1.7266 1.9545 2.0524 2.2190 2.2834 2.6479 2.6589 2.9039 2.9085 3.2383 3.2440 3.3385 3.3990 3.8259 3.8622 4.4107 4.4225 6.8688 6.8894 7.3638 7.3771 7.6957 7.7108 8.2118 8.2519 8.4681 8.4911 k = 0.5440 0.3135 0.0348 ( 4396 PWs) bands (ev): -9.0719 -9.0716 -8.9976 -8.9970 -8.7006 -8.7005 -8.4182 -8.4175 -7.1232 -7.1229 -7.0149 -7.0146 -1.9366 -1.8930 -1.5405 -1.5139 -0.7405 -0.7234 -0.4440 -0.3843 0.0041 0.1274 0.3717 0.4932 0.8271 0.8552 1.3885 1.4280 1.5562 1.5805 1.6775 1.7176 1.9623 2.0568 2.2081 2.2708 2.6582 2.6711 2.8962 2.9044 3.2478 3.2579 3.3456 3.4038 3.8837 3.9170 4.3988 4.4094 6.8585 6.8785 7.3503 7.3606 7.6789 7.6904 8.2222 8.2555 8.4566 8.4817 k = 0.5385 0.3103 0.0542 ( 4398 PWs) bands (ev): -9.0742 -9.0739 -9.0091 -9.0085 -8.6768 -8.6766 -8.4282 -8.4275 -7.1156 -7.1153 -7.0195 -7.0192 -1.9323 -1.8898 -1.5854 -1.5577 -0.7132 -0.6908 -0.4522 -0.3920 0.0069 0.1317 0.3318 0.4559 0.8841 0.9066 1.3816 1.4191 1.5627 1.5856 1.6727 1.7083 1.9742 2.0643 2.1963 2.2577 2.6696 2.6844 2.8860 2.8976 3.2575 3.2722 3.3505 3.4066 3.9390 3.9693 4.3861 4.3951 6.8564 6.8759 7.3312 7.3376 7.6708 7.6780 8.2231 8.2448 8.4273 8.4527 k = 0.5330 0.3071 0.0735 ( 4404 PWs) bands (ev): -9.0756 -9.0753 -9.0198 -9.0192 -8.6535 -8.6533 -8.4393 -8.4386 -7.1078 -7.1075 -7.0245 -7.0242 -1.9255 -1.8841 -1.6280 -1.5993 -0.6867 -0.6590 -0.4620 -0.4016 0.0116 0.1381 0.2930 0.4194 0.9403 0.9572 1.3701 1.4052 1.5700 1.5915 1.6676 1.6985 1.9894 2.0747 2.1840 2.2445 2.6820 2.6984 2.8734 2.8882 3.2676 3.2869 3.3534 3.4074 3.9914 4.0188 4.3722 4.3793 6.8627 6.8814 7.3055 7.3076 7.6724 7.6750 8.2066 8.2135 8.3862 8.4226 k = 0.5275 0.3040 0.0929 ( 4401 PWs) bands (ev): -9.0762 -9.0758 -9.0296 -9.0290 -8.6308 -8.6306 -8.4515 -8.4509 -7.1000 -7.0997 -7.0298 -7.0295 -1.9161 -1.8758 -1.6680 -1.6383 -0.6612 -0.6282 -0.4734 -0.4130 0.0187 0.1469 0.2556 0.3840 0.9950 1.0065 1.3544 1.3868 1.5780 1.5980 1.6617 1.6884 2.0069 2.0873 2.1713 2.2312 2.6952 2.7131 2.8588 2.8763 3.2781 3.3018 3.3543 3.4062 4.0408 4.0651 4.3567 4.3616 6.8770 6.8950 7.2714 7.2732 7.6822 7.6837 8.1628 8.1667 8.3631 8.4090 k = 0.5220 0.3008 0.1122 ( 4397 PWs) bands (ev): -9.0758 -9.0754 -9.0384 -9.0379 -8.6089 -8.6086 -8.4649 -8.4643 -7.0922 -7.0919 -7.0356 -7.0353 -1.9040 -1.8648 -1.7054 -1.6747 -0.6367 -0.5988 -0.4862 -0.4263 0.0286 0.1585 0.2198 0.3501 1.0477 1.0539 1.3346 1.3639 1.5865 1.6052 1.6550 1.6780 2.0257 2.1016 2.1582 2.2180 2.7091 2.7284 2.8428 2.8623 3.2889 3.3168 3.3530 3.4030 4.0869 4.1082 4.3395 4.3419 6.8990 6.9161 7.2302 7.2353 7.6996 7.7042 8.1014 8.1097 8.3574 8.4069 k = 0.5165 0.2976 0.1315 ( 4395 PWs) bands (ev): -9.0744 -9.0740 -9.0464 -9.0459 -8.5877 -8.5874 -8.4794 -8.4789 -7.0844 -7.0841 -7.0417 -7.0414 -1.8891 -1.8510 -1.7402 -1.7084 -0.6134 -0.5708 -0.5004 -0.4413 0.0415 0.1729 0.1861 0.3178 1.0982 1.0992 1.3111 1.3369 1.5953 1.6128 1.6475 1.6677 2.0449 2.1168 2.1446 2.2047 2.7239 2.7443 2.8257 2.8467 3.2998 3.3315 3.3499 3.3977 4.1296 4.1479 4.3199 4.3201 6.9278 6.9440 7.1854 7.1932 7.7264 7.7333 8.0366 8.0463 8.3605 8.4105 k = 0.5110 0.2944 0.1509 ( 4398 PWs) bands (ev): -9.0721 -9.0717 -9.0534 -9.0529 -8.5673 -8.5670 -8.4950 -8.4945 -7.0767 -7.0764 -7.0481 -7.0478 -1.8714 -1.8344 -1.7721 -1.7393 -0.5913 -0.5445 -0.5159 -0.4582 0.0576 0.1546 0.1902 0.2874 1.1421 1.1461 1.2839 1.3059 1.6043 1.6210 1.6395 1.6576 2.0638 2.1304 2.1324 2.1912 2.7394 2.7608 2.8080 2.8300 3.3105 3.3448 3.3456 3.3905 4.1690 4.1842 4.2954 4.2984 6.9627 6.9778 7.1388 7.1487 7.7618 7.7702 7.9724 7.9826 8.3676 8.4081 k = 0.5055 0.2913 0.1702 ( 4402 PWs) bands (ev): -9.0689 -9.0684 -9.0595 -9.0591 -8.5478 -8.5474 -8.5116 -8.5111 -7.0692 -7.0689 -7.0549 -7.0546 -1.8509 -1.8150 -1.8012 -1.7674 -0.5705 -0.5328 -0.5201 -0.4769 0.0771 0.1258 0.2105 0.2593 1.1822 1.1910 1.2533 1.2711 1.6133 1.6295 1.6310 1.6478 2.0820 2.1153 2.1478 2.1773 2.7557 2.7778 2.7902 2.8127 3.3207 3.3381 3.3588 3.3815 4.2052 4.2172 4.2682 4.2742 7.0024 7.0165 7.0918 7.1033 7.8050 7.8143 7.9115 7.9216 8.3765 8.3971 k = 0.5000 0.2881 0.1896 ( 4398 PWs) bands (ev): -9.0647 -9.0647 -9.0642 -9.0642 -8.5292 -8.5292 -8.5288 -8.5288 -7.0619 -7.0619 -7.0616 -7.0616 -1.8275 -1.8275 -1.7926 -1.7926 -0.5510 -0.5510 -0.4975 -0.4975 0.0999 0.0999 0.2336 0.2336 1.2193 1.2193 1.2328 1.2328 1.6222 1.6222 1.6385 1.6385 2.0992 2.0992 2.1628 2.1628 2.7727 2.7727 2.7951 2.7951 3.3300 3.3300 3.3709 3.3709 4.2382 4.2382 4.2472 4.2472 7.0459 7.0459 7.0588 7.0588 7.8553 7.8553 7.8651 7.8651 8.3865 8.3865 k = 0.5000 0.2881 0.1896 ( 4398 PWs) bands (ev): -9.0647 -9.0647 -9.0642 -9.0642 -8.5292 -8.5292 -8.5288 -8.5288 -7.0619 -7.0619 -7.0616 -7.0616 -1.8275 -1.8275 -1.7926 -1.7926 -0.5510 -0.5510 -0.4975 -0.4975 0.0999 0.0999 0.2336 0.2336 1.2193 1.2193 1.2328 1.2328 1.6222 1.6222 1.6385 1.6385 2.0992 2.0992 2.1628 2.1628 2.7727 2.7727 2.7951 2.7951 3.3300 3.3300 3.3709 3.3709 4.2382 4.2382 4.2472 4.2472 7.0459 7.0459 7.0588 7.0588 7.8553 7.8553 7.8651 7.8651 8.3865 8.3865 k = 0.5105 0.2699 0.1896 ( 4398 PWs) bands (ev): -9.0644 -9.0644 -9.0640 -9.0640 -8.5294 -8.5294 -8.5290 -8.5290 -7.0622 -7.0622 -7.0619 -7.0619 -1.8261 -1.8261 -1.7912 -1.7912 -0.5516 -0.5516 -0.4982 -0.4982 0.0992 0.0992 0.2329 0.2329 1.2181 1.2181 1.2329 1.2329 1.6226 1.6226 1.6393 1.6393 2.0975 2.0975 2.1618 2.1618 2.7731 2.7731 2.7967 2.7967 3.3316 3.3316 3.3727 3.3727 4.2377 4.2377 4.2471 4.2471 7.0465 7.0465 7.0594 7.0594 7.8523 7.8523 7.8624 7.8624 8.3797 8.3797 k = 0.5209 0.2518 0.1896 ( 4394 PWs) bands (ev): -9.0636 -9.0636 -9.0632 -9.0632 -8.5301 -8.5301 -8.5297 -8.5297 -7.0629 -7.0629 -7.0626 -7.0626 -1.8220 -1.8220 -1.7869 -1.7869 -0.5535 -0.5535 -0.5002 -0.5002 0.0974 0.0974 0.2311 0.2311 1.2145 1.2145 1.2329 1.2329 1.6239 1.6239 1.6415 1.6415 2.0925 2.0925 2.1588 2.1588 2.7746 2.7746 2.8012 2.8012 3.3363 3.3363 3.3782 3.3782 4.2363 4.2363 4.2469 4.2469 7.0483 7.0483 7.0614 7.0614 7.8431 7.8431 7.8541 7.8541 8.3611 8.3611 k = 0.5314 0.2336 0.1896 ( 4390 PWs) bands (ev): -9.0623 -9.0623 -9.0619 -9.0619 -8.5313 -8.5313 -8.5309 -8.5309 -7.0641 -7.0641 -7.0638 -7.0638 -1.8153 -1.8153 -1.7799 -1.7799 -0.5566 -0.5566 -0.5036 -0.5036 0.0945 0.0945 0.2281 0.2281 1.2091 1.2091 1.2323 1.2323 1.6259 1.6259 1.6453 1.6453 2.0848 2.0848 2.1537 2.1537 2.7774 2.7774 2.8079 2.8079 3.3439 3.3439 3.3869 3.3869 4.2341 4.2341 4.2464 4.2464 7.0512 7.0512 7.0645 7.0645 7.8273 7.8273 7.8396 7.8396 8.3350 8.3350 k = 0.5418 0.2155 0.1896 ( 4392 PWs) bands (ev): -9.0605 -9.0605 -9.0600 -9.0600 -8.5329 -8.5329 -8.5324 -8.5324 -7.0657 -7.0657 -7.0653 -7.0653 -1.8059 -1.8059 -1.7702 -1.7702 -0.5611 -0.5611 -0.5084 -0.5084 0.0909 0.0909 0.2243 0.2243 1.2022 1.2022 1.2309 1.2309 1.6288 1.6288 1.6504 1.6504 2.0747 2.0747 2.1466 2.1466 2.7819 2.7819 2.8161 2.8161 3.3541 3.3541 3.3983 3.3983 4.2313 4.2313 4.2456 4.2456 7.0551 7.0551 7.0688 7.0688 7.8043 7.8043 7.8182 7.8182 8.3064 8.3064 k = 0.5523 0.1973 0.1896 ( 4388 PWs) bands (ev): -9.0582 -9.0582 -9.0578 -9.0578 -8.5349 -8.5349 -8.5345 -8.5345 -7.0676 -7.0676 -7.0673 -7.0673 -1.7941 -1.7941 -1.7580 -1.7580 -0.5667 -0.5667 -0.5146 -0.5146 0.0867 0.0867 0.2199 0.2199 1.1938 1.1938 1.2285 1.2285 1.6324 1.6324 1.6566 1.6566 2.0629 2.0629 2.1376 2.1376 2.7880 2.7880 2.8254 2.8254 3.3664 3.3664 3.4120 3.4120 4.2281 4.2281 4.2446 4.2446 7.0596 7.0596 7.0738 7.0738 7.7742 7.7742 7.7896 7.7896 8.2797 8.2797 k = 0.5628 0.1792 0.1896 ( 4388 PWs) bands (ev): -9.0555 -9.0555 -9.0550 -9.0550 -8.5374 -8.5374 -8.5369 -8.5369 -7.0700 -7.0700 -7.0696 -7.0696 -1.7801 -1.7801 -1.7433 -1.7433 -0.5737 -0.5737 -0.5224 -0.5224 0.0825 0.0825 0.2152 0.2152 1.1840 1.1840 1.2251 1.2251 1.6366 1.6366 1.6639 1.6639 2.0498 2.0498 2.1269 2.1269 2.7956 2.7956 2.8353 2.8353 3.3803 3.3803 3.4271 3.4271 4.2245 4.2245 4.2433 4.2433 7.0645 7.0645 7.0794 7.0794 7.7376 7.7376 7.7544 7.7544 8.2577 8.2577 k = 0.5732 0.1610 0.1896 ( 4384 PWs) bands (ev): -9.0524 -9.0524 -9.0519 -9.0519 -8.5402 -8.5402 -8.5397 -8.5397 -7.0725 -7.0725 -7.0722 -7.0722 -1.7640 -1.7640 -1.7266 -1.7266 -0.5819 -0.5819 -0.5316 -0.5316 0.0784 0.0784 0.2106 0.2106 1.1732 1.1732 1.2207 1.2207 1.6412 1.6412 1.6720 1.6720 2.0361 2.0361 2.1147 2.1147 2.8042 2.8042 2.8455 2.8455 3.3951 3.3951 3.4430 3.4430 4.2207 4.2207 4.2418 4.2418 7.0694 7.0694 7.0851 7.0851 7.6963 7.6963 7.7142 7.7142 8.2416 8.2416 k = 0.5837 0.1429 0.1896 ( 4384 PWs) bands (ev): -9.0489 -9.0489 -9.0484 -9.0484 -8.5434 -8.5434 -8.5429 -8.5429 -7.0753 -7.0753 -7.0750 -7.0750 -1.7461 -1.7461 -1.7079 -1.7079 -0.5913 -0.5913 -0.5423 -0.5423 0.0748 0.0748 0.2064 0.2064 1.1614 1.1614 1.2154 1.2154 1.6460 1.6460 1.6806 1.6806 2.0221 2.0221 2.1014 2.1014 2.8136 2.8136 2.8555 2.8555 3.4100 3.4100 3.4588 3.4588 4.2168 4.2168 4.2403 4.2403 7.0740 7.0740 7.0907 7.0907 7.6526 7.6526 7.6711 7.6711 8.2312 8.2312 k = 0.5941 0.1247 0.1896 ( 4390 PWs) bands (ev): -9.0451 -9.0451 -9.0446 -9.0446 -8.5469 -8.5469 -8.5464 -8.5464 -7.0782 -7.0782 -7.0779 -7.0779 -1.7266 -1.7266 -1.6875 -1.6875 -0.6017 -0.6017 -0.5543 -0.5543 0.0720 0.0720 0.2028 0.2028 1.1489 1.1489 1.2093 1.2093 1.6508 1.6508 1.6894 1.6894 2.0082 2.0082 2.0874 2.0874 2.8232 2.8232 2.8652 2.8652 3.4243 3.4243 3.4737 3.4737 4.2128 4.2128 4.2386 4.2386 7.0777 7.0777 7.0956 7.0956 7.6093 7.6093 7.6282 7.6282 8.2259 8.2259 k = 0.6046 0.1066 0.1896 ( 4396 PWs) bands (ev): -9.0410 -9.0410 -9.0406 -9.0406 -8.5507 -8.5507 -8.5502 -8.5502 -7.0812 -7.0812 -7.0808 -7.0808 -1.7059 -1.7059 -1.6659 -1.6659 -0.6131 -0.6131 -0.5675 -0.5675 0.0702 0.0702 0.1999 0.1999 1.1361 1.1361 1.2028 1.2028 1.6554 1.6554 1.6981 1.6981 1.9947 1.9947 2.0730 2.0730 2.8327 2.8327 2.8742 2.8742 3.4372 3.4372 3.4871 3.4871 4.2089 4.2089 4.2370 4.2370 7.0802 7.0802 7.0995 7.0995 7.5691 7.5691 7.5879 7.5879 8.2250 8.2250 k = 0.6150 0.0884 0.1896 ( 4392 PWs) bands (ev): -9.0368 -9.0368 -9.0363 -9.0363 -8.5547 -8.5547 -8.5542 -8.5542 -7.0842 -7.0842 -7.0838 -7.0838 -1.6844 -1.6844 -1.6432 -1.6432 -0.6252 -0.6252 -0.5816 -0.5816 0.0694 0.0694 0.1980 0.1980 1.1231 1.1231 1.1959 1.1959 1.6597 1.6597 1.7065 1.7066 1.9818 1.9818 2.0584 2.0584 2.8416 2.8416 2.8822 2.8822 3.4480 3.4480 3.4982 3.4982 4.2050 4.2050 4.2353 4.2353 7.0815 7.0815 7.1021 7.1021 7.5340 7.5340 7.5526 7.5526 8.2275 8.2275 k = 0.6255 0.0703 0.1896 ( 4386 PWs) bands (ev): -9.0325 -9.0325 -9.0320 -9.0320 -8.5589 -8.5589 -8.5584 -8.5584 -7.0870 -7.0870 -7.0867 -7.0866 -1.6623 -1.6623 -1.6200 -1.6200 -0.6378 -0.6378 -0.5964 -0.5964 0.0697 0.0697 0.1971 0.1971 1.1103 1.1103 1.1889 1.1889 1.6636 1.6636 1.7144 1.7144 1.9696 1.9696 2.0440 2.0440 2.8496 2.8496 2.8890 2.8890 3.4561 3.4561 3.5065 3.5065 4.2012 4.2012 4.2337 4.2337 7.0815 7.0815 7.1033 7.1033 7.5061 7.5061 7.5242 7.5242 8.2330 8.2330 k = 0.6360 0.0521 0.1896 ( 4384 PWs) bands (ev): -9.0282 -9.0282 -9.0277 -9.0277 -8.5632 -8.5632 -8.5626 -8.5626 -7.0897 -7.0897 -7.0893 -7.0893 -1.6401 -1.6401 -1.5965 -1.5965 -0.6506 -0.6506 -0.6114 -0.6114 0.0710 0.0710 0.1972 0.1972 1.0979 1.0979 1.1819 1.1819 1.6671 1.6671 1.7214 1.7214 1.9581 1.9581 2.0300 2.0300 2.8563 2.8563 2.8944 2.8944 3.4610 3.4610 3.5114 3.5114 4.1973 4.1973 4.2320 4.2320 7.0809 7.0809 7.1035 7.1035 7.4863 7.4863 7.5038 7.5038 8.2410 8.2410 k = 0.6464 0.0340 0.1896 ( 4380 PWs) bands (ev): -9.0240 -9.0240 -9.0235 -9.0235 -8.5674 -8.5674 -8.5668 -8.5668 -7.0922 -7.0922 -7.0918 -7.0918 -1.6181 -1.6181 -1.5732 -1.5732 -0.6633 -0.6633 -0.6262 -0.6262 0.0733 0.0733 0.1981 0.1981 1.0862 1.0862 1.1750 1.1750 1.6703 1.6703 1.7276 1.7276 1.9474 1.9474 2.0166 2.0166 2.8615 2.8615 2.8982 2.8982 3.4622 3.4622 3.5125 3.5125 4.1933 4.1933 4.2301 4.2301 7.0805 7.0805 7.1036 7.1036 7.4751 7.4751 7.4919 7.4919 8.2513 8.2513 k = 0.6569 0.0158 0.1896 ( 4384 PWs) bands (ev): -9.0199 -9.0199 -9.0195 -9.0195 -8.5715 -8.5715 -8.5710 -8.5710 -7.0944 -7.0944 -7.0940 -7.0940 -1.5968 -1.5968 -1.5505 -1.5505 -0.6755 -0.6755 -0.6404 -0.6404 0.0763 0.0763 0.1999 0.1999 1.0752 1.0752 1.1683 1.1683 1.6733 1.6733 1.7329 1.7329 1.9375 1.9375 2.0041 2.0041 2.8649 2.8649 2.9003 2.9003 3.4595 3.4595 3.5097 3.5097 4.1891 4.1891 4.2280 4.2280 7.0815 7.0815 7.1047 7.1047 7.4722 7.4722 7.4881 7.4881 8.2637 8.2637 k = 0.6673-0.0023 0.1896 ( 4372 PWs) bands (ev): -9.0162 -9.0162 -9.0157 -9.0157 -8.5755 -8.5755 -8.5749 -8.5749 -7.0962 -7.0962 -7.0958 -7.0958 -1.5766 -1.5766 -1.5289 -1.5289 -0.6871 -0.6871 -0.6535 -0.6535 0.0800 0.0800 0.2022 0.2022 1.0650 1.0650 1.1617 1.1617 1.6764 1.6764 1.7375 1.7375 1.9283 1.9283 1.9926 1.9926 2.8665 2.8665 2.9005 2.9005 3.4527 3.4527 3.5029 3.5029 4.1845 4.1845 4.2254 4.2254 7.0853 7.0853 7.1083 7.1083 7.4773 7.4773 7.4924 7.4924 8.2781 8.2781 k = 0.6778-0.0205 0.1896 ( 4376 PWs) bands (ev): -9.0129 -9.0129 -9.0124 -9.0124 -8.5791 -8.5791 -8.5785 -8.5785 -7.0976 -7.0976 -7.0972 -7.0972 -1.5579 -1.5579 -1.5087 -1.5087 -0.6975 -0.6975 -0.6652 -0.6652 0.0841 0.0841 0.2050 0.2050 1.0556 1.0556 1.1549 1.1549 1.6797 1.6797 1.7414 1.7414 1.9197 1.9197 1.9826 1.9826 2.8662 2.8662 2.8988 2.8988 3.4419 3.4419 3.4920 3.4920 4.1793 4.1793 4.2222 4.2222 7.0930 7.0930 7.1157 7.1157 7.4897 7.4897 7.5039 7.5039 8.2943 8.2943 k = 0.6883-0.0386 0.1896 ( 4380 PWs) bands (ev): -9.0101 -9.0101 -9.0096 -9.0096 -8.5823 -8.5823 -8.5817 -8.5817 -7.0986 -7.0986 -7.0982 -7.0981 -1.5409 -1.5409 -1.4903 -1.4903 -0.7066 -0.7066 -0.6750 -0.6750 0.0885 0.0885 0.2081 0.2081 1.0468 1.0468 1.1477 1.1477 1.6830 1.6830 1.7449 1.7449 1.9118 1.9118 1.9745 1.9745 2.8639 2.8639 2.8952 2.8952 3.4272 3.4272 3.4774 3.4774 4.1735 4.1735 4.2184 4.2184 7.1056 7.1056 7.1279 7.1279 7.5089 7.5089 7.5223 7.5223 8.3122 8.3122 k = 0.6987-0.0568 0.1896 ( 4380 PWs) bands (ev): -9.0079 -9.0079 -9.0074 -9.0074 -8.5850 -8.5850 -8.5844 -8.5844 -7.0991 -7.0991 -7.0987 -7.0986 -1.5261 -1.5261 -1.4742 -1.4742 -0.7139 -0.7139 -0.6825 -0.6825 0.0931 0.0931 0.2113 0.2113 1.0383 1.0383 1.1398 1.1398 1.6859 1.6859 1.7484 1.7484 1.9050 1.9050 1.9693 1.9693 2.8596 2.8596 2.8896 2.8896 3.4089 3.4089 3.4593 3.4593 4.1669 4.1669 4.2137 4.2137 7.1235 7.1235 7.1456 7.1456 7.5344 7.5344 7.5470 7.5470 8.3316 8.3316 k = 0.7092-0.0749 0.1896 ( 4388 PWs) bands (ev): -9.0064 -9.0064 -9.0060 -9.0060 -8.5871 -8.5871 -8.5865 -8.5865 -7.0991 -7.0991 -7.0987 -7.0987 -1.5136 -1.5136 -1.4605 -1.4605 -0.7193 -0.7193 -0.6877 -0.6877 0.0977 0.0977 0.2145 0.2145 1.0299 1.0299 1.1307 1.1307 1.6872 1.6872 1.7518 1.7518 1.8999 1.8999 1.9680 1.9680 2.8532 2.8532 2.8821 2.8821 3.3875 3.3875 3.4384 3.4384 4.1597 4.1597 4.2083 4.2083 7.1471 7.1471 7.1692 7.1692 7.5656 7.5656 7.5778 7.5778 8.3522 8.3522 k = 0.7196-0.0931 0.1896 ( 4394 PWs) bands (ev): -9.0058 -9.0058 -9.0053 -9.0053 -8.5885 -8.5885 -8.5878 -8.5878 -7.0986 -7.0986 -7.0982 -7.0982 -1.5035 -1.5035 -1.4494 -1.4494 -0.7226 -0.7226 -0.6903 -0.6903 0.1022 0.1022 0.2175 0.2175 1.0212 1.0212 1.1202 1.1202 1.6857 1.6857 1.7544 1.7544 1.8984 1.8984 1.9717 1.9717 2.8446 2.8446 2.8726 2.8726 3.3635 3.3635 3.4153 3.4153 4.1518 4.1518 4.2021 4.2021 7.1764 7.1764 7.1988 7.1988 7.6020 7.6020 7.6141 7.6141 8.3737 8.3737 k = 0.7301-0.1112 0.1896 ( 4388 PWs) bands (ev): -9.0060 -9.0060 -9.0055 -9.0055 -8.5890 -8.5890 -8.5884 -8.5884 -7.0976 -7.0976 -7.0972 -7.0972 -1.4959 -1.4959 -1.4410 -1.4410 -0.7236 -0.7236 -0.6903 -0.6903 0.1066 0.1066 0.2202 0.2202 1.0119 1.0119 1.1078 1.1078 1.6804 1.6804 1.7542 1.7542 1.9033 1.9033 1.9815 1.9815 2.8335 2.8335 2.8610 2.8610 3.3376 3.3376 3.3908 3.3908 4.1432 4.1432 4.1951 4.1951 7.2111 7.2111 7.2340 7.2340 7.6433 7.6433 7.6556 7.6556 8.3958 8.3958 k = 0.2699-0.4684 0.5377 ( 4388 PWs) bands (ev): -9.0060 -9.0060 -9.0055 -9.0055 -8.5890 -8.5890 -8.5884 -8.5884 -7.0976 -7.0976 -7.0972 -7.0972 -1.4959 -1.4959 -1.4410 -1.4410 -0.7236 -0.7236 -0.6903 -0.6903 0.1066 0.1066 0.2202 0.2202 1.0119 1.0119 1.1078 1.1078 1.6804 1.6804 1.7542 1.7542 1.9033 1.9033 1.9815 1.9815 2.8335 2.8335 2.8610 2.8610 3.3376 3.3376 3.3908 3.3908 4.1432 4.1432 4.1951 4.1951 7.2111 7.2111 7.2340 7.2340 7.6433 7.6433 7.6556 7.6556 8.3958 8.3958 k = 0.2595-0.4504 0.5377 ( 4396 PWs) bands (ev): -9.0071 -9.0071 -9.0066 -9.0066 -8.5888 -8.5888 -8.5881 -8.5881 -7.0961 -7.0961 -7.0957 -7.0957 -1.4908 -1.4908 -1.4353 -1.4353 -0.7224 -0.7224 -0.6880 -0.6880 0.1107 0.1107 0.2226 0.2226 1.0016 1.0016 1.0936 1.0936 1.6712 1.6712 1.7489 1.7489 1.9171 1.9171 1.9976 1.9976 2.8197 2.8197 2.8472 2.8472 3.3110 3.3110 3.3660 3.3660 4.1343 4.1343 4.1877 4.1877 7.2501 7.2501 7.2738 7.2738 7.6883 7.6883 7.7011 7.7011 8.4180 8.4180 k = 0.2491-0.4324 0.5377 ( 4398 PWs) bands (ev): -9.0091 -9.0091 -9.0086 -9.0086 -8.5877 -8.5877 -8.5870 -8.5870 -7.0942 -7.0942 -7.0937 -7.0937 -1.4879 -1.4879 -1.4321 -1.4321 -0.7190 -0.7190 -0.6834 -0.6834 0.1145 0.1145 0.2246 0.2246 0.9901 0.9901 1.0774 1.0774 1.6584 1.6584 1.7379 1.7379 1.9406 1.9406 2.0204 2.0204 2.8027 2.8027 2.8309 2.8309 3.2843 3.2843 3.3417 3.3417 4.1251 4.1251 4.1798 4.1798 7.2932 7.2932 7.3179 7.3179 7.7367 7.7367 7.7503 7.7503 8.4404 8.4404 k = 0.2388-0.4144 0.5377 ( 4396 PWs) bands (ev): -9.0119 -9.0119 -9.0115 -9.0115 -8.5857 -8.5857 -8.5851 -8.5851 -7.0917 -7.0917 -7.0913 -7.0913 -1.4871 -1.4871 -1.4311 -1.4311 -0.7136 -0.7136 -0.6769 -0.6769 0.1181 0.1181 0.2261 0.2261 0.9773 0.9773 1.0591 1.0591 1.6424 1.6424 1.7220 1.7220 1.9728 1.9728 2.0494 2.0494 2.7822 2.7822 2.8117 2.8117 3.2588 3.2588 3.3190 3.3190 4.1158 4.1158 4.1716 4.1716 7.3394 7.3394 7.3652 7.3652 7.7877 7.7877 7.8022 7.8022 8.4630 8.4630 k = 0.2284-0.3964 0.5377 ( 4396 PWs) bands (ev): -9.0157 -9.0157 -9.0153 -9.0153 -8.5830 -8.5830 -8.5824 -8.5824 -7.0889 -7.0889 -7.0884 -7.0884 -1.4880 -1.4880 -1.4322 -1.4322 -0.7063 -0.7063 -0.6686 -0.6686 0.1212 0.1212 0.2271 0.2271 0.9630 0.9630 1.0390 1.0390 1.6240 1.6240 1.7027 1.7027 2.0119 2.0119 2.0842 2.0842 2.7582 2.7582 2.7894 2.7894 3.2355 3.2355 3.2985 3.2985 4.1065 4.1065 4.1634 4.1634 7.3874 7.3874 7.4143 7.4143 7.8401 7.8401 7.8557 7.8557 8.4856 8.4856 k = 0.2180-0.3783 0.5377 ( 4398 PWs) bands (ev): -9.0202 -9.0202 -9.0198 -9.0198 -8.5795 -8.5795 -8.5789 -8.5789 -7.0856 -7.0856 -7.0851 -7.0851 -1.4904 -1.4904 -1.4348 -1.4348 -0.6975 -0.6975 -0.6589 -0.6589 0.1240 0.1240 0.2274 0.2274 0.9473 0.9473 1.0171 1.0171 1.6037 1.6037 1.6811 1.6811 2.0562 2.0562 2.1239 2.1239 2.7308 2.7308 2.7639 2.7639 3.2152 3.2152 3.2810 3.2810 4.0975 4.0975 4.1553 4.1553 7.4360 7.4360 7.4637 7.4637 7.8928 7.8928 7.9093 7.9093 8.5086 8.5086 k = 0.2076-0.3603 0.5377 ( 4398 PWs) bands (ev): -9.0254 -9.0254 -9.0250 -9.0250 -8.5753 -8.5753 -8.5747 -8.5747 -7.0820 -7.0820 -7.0815 -7.0815 -1.4940 -1.4940 -1.4388 -1.4388 -0.6874 -0.6874 -0.6481 -0.6481 0.1263 0.1263 0.2270 0.2270 0.9305 0.9305 0.9938 0.9938 1.5823 1.5823 1.6584 1.6584 2.1039 2.1039 2.1674 2.1674 2.7009 2.7009 2.7355 2.7355 3.1987 3.1987 3.2668 3.2668 4.0888 4.0888 4.1474 4.1474 7.4836 7.4836 7.5118 7.5118 7.9444 7.9444 7.9616 7.9616 8.5324 8.5324 k = 0.1972-0.3423 0.5377 ( 4400 PWs) bands (ev): -9.0312 -9.0312 -9.0308 -9.0308 -8.5705 -8.5705 -8.5699 -8.5699 -7.0780 -7.0780 -7.0775 -7.0775 -1.4986 -1.4986 -1.4437 -1.4437 -0.6761 -0.6761 -0.6363 -0.6363 0.1279 0.1279 0.2257 0.2257 0.9126 0.9126 0.9695 0.9695 1.5603 1.5603 1.6353 1.6353 2.1528 2.1528 2.2130 2.2130 2.6700 2.6700 2.7055 2.7055 3.1863 3.1863 3.2560 3.2560 4.0807 4.0807 4.1400 4.1400 7.5284 7.5284 7.5567 7.5567 7.9935 7.9935 8.0111 8.0111 8.5571 8.5571 k = 0.1869-0.3243 0.5377 ( 4394 PWs) bands (ev): -9.0375 -9.0375 -9.0371 -9.0371 -8.5652 -8.5652 -8.5646 -8.5646 -7.0738 -7.0738 -7.0733 -7.0733 -1.5038 -1.5038 -1.4494 -1.4494 -0.6641 -0.6641 -0.6239 -0.6239 0.1289 0.1289 0.2235 0.2235 0.8939 0.8939 0.9444 0.9444 1.5384 1.5384 1.6123 1.6123 2.1997 2.1997 2.2581 2.2581 2.6407 2.6407 2.6764 2.6764 3.1779 3.1779 3.2485 3.2485 4.0732 4.0732 4.1331 4.1331 7.5688 7.5688 7.5963 7.5963 8.0387 8.0387 8.0563 8.0563 8.5829 8.5829 k = 0.1765-0.3063 0.5377 ( 4392 PWs) bands (ev): -9.0441 -9.0441 -9.0437 -9.0437 -8.5595 -8.5595 -8.5589 -8.5589 -7.0694 -7.0694 -7.0689 -7.0689 -1.5093 -1.5093 -1.4555 -1.4555 -0.6513 -0.6513 -0.6111 -0.6111 0.1291 0.1291 0.2202 0.2202 0.8748 0.8748 0.9191 0.9191 1.5169 1.5169 1.5901 1.5901 2.2399 2.2399 2.2983 2.2983 2.6173 2.6173 2.6526 2.6526 3.1731 3.1731 3.2441 3.2441 4.0665 4.0665 4.1269 4.1269 7.6030 7.6030 7.6287 7.6287 8.0787 8.0787 8.0961 8.0961 8.6089 8.6089 k = 0.1661-0.2883 0.5377 ( 4388 PWs) bands (ev): -9.0511 -9.0511 -9.0507 -9.0507 -8.5535 -8.5535 -8.5529 -8.5529 -7.0648 -7.0648 -7.0643 -7.0643 -1.5151 -1.5151 -1.4618 -1.4618 -0.6382 -0.6382 -0.5981 -0.5981 0.1284 0.1284 0.2158 0.2158 0.8554 0.8554 0.8940 0.8940 1.4963 1.4963 1.5690 1.5690 2.2665 2.2665 2.3266 2.3266 2.6065 2.6065 2.6414 2.6414 3.1717 3.1717 3.2425 3.2425 4.0606 4.0606 4.1213 4.1213 7.6295 7.6295 7.6526 7.6526 8.1119 8.1119 8.1298 8.1298 8.6345 8.6345 k = 0.1557-0.2702 0.5377 ( 4390 PWs) bands (ev): -9.0582 -9.0582 -9.0578 -9.0578 -8.5473 -8.5473 -8.5468 -8.5468 -7.0601 -7.0601 -7.0596 -7.0596 -1.5209 -1.5209 -1.4682 -1.4682 -0.6247 -0.6247 -0.5850 -0.5850 0.1267 0.1267 0.2102 0.2102 0.8360 0.8360 0.8696 0.8696 1.4771 1.4771 1.5494 1.5494 2.2734 2.2734 2.3350 2.3351 2.6154 2.6154 2.6496 2.6496 3.1732 3.1732 3.2434 3.2434 4.0555 4.0556 4.1165 4.1165 7.6475 7.6475 7.6672 7.6672 8.1367 8.1367 8.1566 8.1566 8.6589 8.6589 k = 0.1453-0.2522 0.5377 ( 4392 PWs) bands (ev): -9.0653 -9.0653 -9.0649 -9.0649 -8.5410 -8.5410 -8.5405 -8.5405 -7.0554 -7.0554 -7.0549 -7.0549 -1.5266 -1.5266 -1.4743 -1.4743 -0.6112 -0.6112 -0.5720 -0.5720 0.1240 0.1240 0.2033 0.2033 0.8168 0.8168 0.8464 0.8464 1.4595 1.4595 1.5314 1.5314 2.2602 2.2602 2.3216 2.3216 2.6451 2.6451 2.6782 2.6782 3.1773 3.1773 3.2464 3.2464 4.0514 4.0514 4.1124 4.1124 7.6567 7.6567 7.6729 7.6729 8.1517 8.1517 8.1749 8.1749 8.6827 8.6827 k = 0.1350-0.2342 0.5377 ( 4390 PWs) bands (ev): -9.0724 -9.0724 -9.0720 -9.0720 -8.5347 -8.5347 -8.5343 -8.5343 -7.0506 -7.0506 -7.0501 -7.0501 -1.5321 -1.5321 -1.4802 -1.4802 -0.5976 -0.5976 -0.5592 -0.5592 0.1202 0.1202 0.1952 0.1952 0.7979 0.7979 0.8250 0.8250 1.4438 1.4438 1.5152 1.5152 2.2322 2.2322 2.2923 2.2923 2.6892 2.6892 2.7218 2.7218 3.1836 3.1836 3.2515 3.2515 4.0482 4.0482 4.1090 4.1090 7.6577 7.6577 7.6706 7.6706 8.1560 8.1560 8.1827 8.1827 8.7074 8.7074 k = 0.1246-0.2162 0.5377 ( 4384 PWs) bands (ev): -9.0793 -9.0793 -9.0789 -9.0789 -8.5286 -8.5286 -8.5281 -8.5281 -7.0460 -7.0460 -7.0455 -7.0455 -1.5372 -1.5372 -1.4858 -1.4858 -0.5842 -0.5842 -0.5469 -0.5469 0.1154 0.1154 0.1860 0.1860 0.7794 0.7794 0.8057 0.8057 1.4303 1.4303 1.5010 1.5010 2.1957 2.1957 2.2542 2.2542 2.7403 2.7403 2.7740 2.7740 3.1920 3.1920 3.2586 3.2586 4.0458 4.0458 4.1062 4.1062 7.6517 7.6517 7.6618 7.6618 8.1491 8.1491 8.1785 8.1785 8.7350 8.7350 k = 0.1142-0.1982 0.5377 ( 4384 PWs) bands (ev): -9.0860 -9.0860 -9.0856 -9.0856 -8.5226 -8.5226 -8.5221 -8.5221 -7.0414 -7.0414 -7.0410 -7.0410 -1.5419 -1.5419 -1.4909 -1.4909 -0.5711 -0.5711 -0.5351 -0.5351 0.1096 0.1096 0.1759 0.1759 0.7616 0.7616 0.7886 0.7886 1.4190 1.4190 1.4888 1.4888 2.1548 2.1548 2.2120 2.2120 2.7930 2.7930 2.8300 2.8300 3.2024 3.2024 3.2676 3.2676 4.0442 4.0442 4.1040 4.1040 7.6400 7.6400 7.6481 7.6481 8.1318 8.1318 8.1624 8.1624 8.7664 8.7664 k = 0.1038-0.1802 0.5377 ( 4390 PWs) bands (ev): -9.0923 -9.0923 -9.0919 -9.0919 -8.5169 -8.5169 -8.5164 -8.5164 -7.0371 -7.0371 -7.0366 -7.0366 -1.5462 -1.5462 -1.4955 -1.4955 -0.5583 -0.5583 -0.5240 -0.5240 0.1030 0.1030 0.1650 0.1650 0.7447 0.7447 0.7738 0.7738 1.4101 1.4101 1.4784 1.4784 2.1124 2.1124 2.1682 2.1682 2.8440 2.8440 2.8866 2.8866 3.2149 3.2149 3.2787 3.2787 4.0435 4.0435 4.1023 4.1023 7.6242 7.6242 7.6311 7.6311 8.1055 8.1055 8.1360 8.1360 8.8013 8.8013 k = 0.0934-0.1621 0.5377 ( 4380 PWs) bands (ev): -9.0983 -9.0983 -9.0979 -9.0979 -8.5115 -8.5115 -8.5111 -8.5111 -7.0330 -7.0330 -7.0325 -7.0325 -1.5500 -1.5500 -1.4997 -1.4997 -0.5461 -0.5461 -0.5137 -0.5137 0.0960 0.0960 0.1537 0.1537 0.7292 0.7292 0.7610 0.7610 1.4037 1.4037 1.4699 1.4699 2.0702 2.0702 2.1246 2.1246 2.8911 2.8911 2.9415 2.9415 3.2294 3.2294 3.2922 3.2922 4.0435 4.0435 4.1009 4.1009 7.6058 7.6058 7.6122 7.6122 8.0726 8.0726 8.1018 8.1018 8.8384 8.8384 k = 0.0830-0.1441 0.5377 ( 4384 PWs) bands (ev): -9.1038 -9.1038 -9.1034 -9.1034 -8.5065 -8.5065 -8.5061 -8.5061 -7.0291 -7.0291 -7.0287 -7.0287 -1.5534 -1.5534 -1.5033 -1.5033 -0.5344 -0.5344 -0.5043 -0.5043 0.0886 0.0886 0.1423 0.1423 0.7151 0.7151 0.7500 0.7500 1.3996 1.3996 1.4630 1.4630 2.0295 2.0295 2.0823 2.0823 2.9328 2.9328 2.9924 2.9924 3.2461 3.2461 3.3081 3.3081 4.0442 4.0442 4.0997 4.0997 7.5862 7.5862 7.5924 7.5924 8.0355 8.0355 8.0627 8.0627 8.8761 8.8761 k = 0.0727-0.1261 0.5377 ( 4376 PWs) bands (ev): -9.1088 -9.1088 -9.1084 -9.1084 -8.5020 -8.5020 -8.5016 -8.5016 -7.0256 -7.0256 -7.0252 -7.0252 -1.5562 -1.5562 -1.5064 -1.5064 -0.5236 -0.5236 -0.4961 -0.4961 0.0813 0.0813 0.1311 0.1311 0.7027 0.7027 0.7407 0.7407 1.3978 1.3978 1.4576 1.4576 1.9914 1.9914 2.0421 2.0421 2.9681 2.9681 3.0373 3.0373 3.2652 3.2652 3.3262 3.3262 4.0456 4.0456 4.0986 4.0986 7.5666 7.5666 7.5728 7.5728 7.9969 7.9969 8.0216 8.0216 8.9130 8.9130 k = 0.0623-0.1081 0.5377 ( 4374 PWs) bands (ev): -9.1132 -9.1132 -9.1128 -9.1128 -8.4979 -8.4979 -8.4975 -8.4975 -7.0225 -7.0225 -7.0220 -7.0220 -1.5587 -1.5587 -1.5091 -1.5091 -0.5135 -0.5135 -0.4890 -0.4890 0.0743 0.0743 0.1205 0.1205 0.6920 0.6920 0.7329 0.7329 1.3982 1.3982 1.4532 1.4532 1.9568 1.9568 2.0048 2.0048 2.9970 2.9970 3.0750 3.0750 3.2866 3.2866 3.3457 3.3457 4.0474 4.0474 4.0975 4.0975 7.5479 7.5479 7.5541 7.5541 7.9589 7.9589 7.9809 7.9809 8.9477 8.9477 k = 0.0519-0.0901 0.5377 ( 4372 PWs) bands (ev): -9.1170 -9.1170 -9.1166 -9.1166 -8.4945 -8.4945 -8.4941 -8.4941 -7.0198 -7.0198 -7.0193 -7.0193 -1.5607 -1.5607 -1.5112 -1.5112 -0.5044 -0.5044 -0.4833 -0.4833 0.0680 0.0680 0.1108 0.1108 0.6829 0.6829 0.7265 0.7265 1.4006 1.4006 1.4496 1.4496 1.9264 1.9264 1.9711 1.9711 3.0197 3.0197 3.1046 3.1046 3.3095 3.3095 3.3654 3.3654 4.0498 4.0498 4.0962 4.0962 7.5310 7.5310 7.5370 7.5370 7.9236 7.9236 7.9427 7.9427 8.9792 8.9792 k = 0.0415-0.0721 0.5377 ( 4370 PWs) bands (ev): -9.1202 -9.1202 -9.1198 -9.1198 -8.4916 -8.4916 -8.4912 -8.4912 -7.0175 -7.0175 -7.0170 -7.0170 -1.5623 -1.5623 -1.5130 -1.5130 -0.4964 -0.4964 -0.4789 -0.4789 0.0626 0.0626 0.1023 0.1023 0.6756 0.6756 0.7214 0.7214 1.4045 1.4045 1.4462 1.4462 1.9010 1.9010 1.9416 1.9416 3.0370 3.0370 3.1267 3.1267 3.3328 3.3328 3.3835 3.3835 4.0524 4.0524 4.0947 4.0947 7.5163 7.5163 7.5222 7.5222 7.8926 7.8926 7.9089 7.9089 9.0064 9.0064 k = 0.0311-0.0540 0.5377 ( 4370 PWs) bands (ev): -9.1227 -9.1227 -9.1223 -9.1223 -8.4893 -8.4893 -8.4889 -8.4889 -7.0157 -7.0157 -7.0153 -7.0153 -1.5635 -1.5635 -1.5143 -1.5143 -0.4895 -0.4895 -0.4761 -0.4761 0.0582 0.0582 0.0953 0.0953 0.6698 0.6698 0.7175 0.7175 1.4097 1.4097 1.4427 1.4427 1.8811 1.8811 1.9170 1.9170 3.0495 3.0495 3.1421 3.1421 3.3542 3.3542 3.3986 3.3986 4.0552 4.0552 4.0931 4.0931 7.5045 7.5045 7.5101 7.5101 7.8673 7.8673 7.8808 7.8808 9.0286 9.0286 k = 0.0208-0.0360 0.5377 ( 4374 PWs) bands (ev): -9.1245 -9.1245 -9.1241 -9.1241 -8.4876 -8.4876 -8.4873 -8.4873 -7.0144 -7.0144 -7.0140 -7.0140 -1.5643 -1.5643 -1.5152 -1.5152 -0.4838 -0.4838 -0.4747 -0.4747 0.0551 0.0551 0.0901 0.0901 0.6658 0.6658 0.7148 0.7148 1.4157 1.4157 1.4386 1.4386 1.8671 1.8671 1.8983 1.8983 3.0580 3.0580 3.1522 3.1522 3.3717 3.3717 3.4096 3.4096 4.0576 4.0576 4.0916 4.0916 7.4957 7.4957 7.5011 7.5011 7.8488 7.8488 7.8598 7.8598 9.0448 9.0448 k = 0.0104-0.0180 0.5377 ( 4366 PWs) bands (ev): -9.1256 -9.1256 -9.1252 -9.1252 -8.4866 -8.4866 -8.4863 -8.4863 -7.0136 -7.0136 -7.0132 -7.0132 -1.5648 -1.5648 -1.5157 -1.5157 -0.4794 -0.4794 -0.4748 -0.4748 0.0532 0.0532 0.0869 0.0869 0.6634 0.6634 0.7131 0.7131 1.4220 1.4220 1.4338 1.4338 1.8590 1.8590 1.8864 1.8864 3.0629 3.0629 3.1579 3.1579 3.3834 3.3834 3.4161 3.4161 4.0594 4.0594 4.0904 4.0904 7.4904 7.4904 7.4957 7.4957 7.8375 7.8375 7.8466 7.8466 9.0549 9.0549 k = 0.0000 0.0000 0.5377 ( 4372 PWs) bands (ev): -9.1260 -9.1260 -9.1255 -9.1255 -8.4863 -8.4863 -8.4859 -8.4859 -7.0134 -7.0134 -7.0129 -7.0129 -1.5650 -1.5650 -1.5159 -1.5159 -0.4766 -0.4766 -0.4762 -0.4762 0.0525 0.0525 0.0858 0.0858 0.6625 0.6625 0.7126 0.7126 1.4277 1.4277 1.4287 1.4287 1.8564 1.8564 1.8823 1.8823 3.0645 3.0645 3.1597 3.1597 3.3875 3.3875 3.4182 3.4182 4.0601 4.0601 4.0900 4.0900 7.4886 7.4886 7.4938 7.4938 7.8337 7.8337 7.8421 7.8421 9.0582 9.0582 k = 0.0000 0.0000 0.5377 ( 4372 PWs) bands (ev): -9.1260 -9.1260 -9.1255 -9.1255 -8.4863 -8.4863 -8.4859 -8.4859 -7.0134 -7.0134 -7.0129 -7.0129 -1.5650 -1.5650 -1.5159 -1.5159 -0.4766 -0.4766 -0.4762 -0.4762 0.0525 0.0525 0.0858 0.0858 0.6625 0.6625 0.7126 0.7126 1.4277 1.4277 1.4287 1.4287 1.8564 1.8564 1.8823 1.8823 3.0645 3.0645 3.1597 3.1597 3.3875 3.3875 3.4182 3.4182 4.0601 4.0601 4.0900 4.0900 7.4886 7.4886 7.4938 7.4938 7.8337 7.8337 7.8421 7.8421 9.0582 9.0582 k = 0.0182 0.0105 0.5377 ( 4366 PWs) bands (ev): -9.1284 -9.1280 -9.1225 -9.1220 -8.5022 -8.5019 -8.4714 -8.4710 -7.0202 -7.0198 -7.0070 -7.0065 -1.5911 -1.5408 -1.5381 -1.4905 -0.4879 -0.4835 -0.4718 -0.4667 0.0483 0.0606 0.0755 0.0996 0.6230 0.6729 0.7033 0.7534 1.4120 1.4175 1.4394 1.4429 1.8349 1.8672 1.8834 1.9030 3.0588 3.0662 3.1506 3.1649 3.3845 3.3872 3.4132 3.4201 4.0315 4.0616 4.0853 4.1149 7.4879 7.4917 7.4934 7.4965 7.8365 7.8410 7.8462 7.8484 9.0097 9.0640 k = 0.0364 0.0210 0.5377 ( 4368 PWs) bands (ev): -9.1298 -9.1294 -9.1180 -9.1176 -8.5190 -8.5187 -8.4574 -8.4569 -7.0276 -7.0272 -7.0011 -7.0006 -1.6165 -1.5650 -1.5107 -1.4645 -0.5019 -0.4926 -0.4689 -0.4593 0.0476 0.0688 0.0727 0.1168 0.5848 0.6345 0.7448 0.7949 1.3968 1.4068 1.4489 1.4562 1.8204 1.8586 1.9150 1.9286 3.0489 3.0641 3.1374 3.1666 3.3781 3.3839 3.4051 3.4190 3.9993 4.0295 4.1075 4.1367 7.4899 7.4956 7.4968 7.5011 7.8494 7.8580 7.8603 7.8649 8.9602 9.0121 k = 0.0547 0.0315 0.5377 ( 4364 PWs) bands (ev): -9.1302 -9.1298 -9.1125 -9.1120 -8.5367 -8.5365 -8.4444 -8.4439 -7.0354 -7.0349 -6.9958 -6.9953 -1.6410 -1.5885 -1.4826 -1.4380 -0.5181 -0.5040 -0.4679 -0.4539 0.0503 0.0656 0.0886 0.1373 0.5481 0.5976 0.7867 0.8368 1.3831 1.3974 1.4566 1.4665 1.8140 1.8570 1.9501 1.9579 3.0348 3.0583 3.1199 3.1651 3.3682 3.3778 3.3940 3.4150 3.9636 3.9939 4.1272 4.1559 7.4947 7.5006 7.5039 7.5075 7.8718 7.8834 7.8838 7.8911 8.9104 8.9599 k = 0.0729 0.0420 0.5377 ( 4366 PWs) bands (ev): -9.1295 -9.1292 -9.1060 -9.1055 -8.5553 -8.5551 -8.4324 -8.4319 -7.0435 -7.0431 -6.9910 -6.9906 -1.6646 -1.6112 -1.4540 -1.4111 -0.5364 -0.5177 -0.4685 -0.4504 0.0558 0.0657 0.1083 0.1609 0.5133 0.5623 0.8286 0.8785 1.3719 1.3902 1.4624 1.4732 1.8164 1.8627 1.9879 1.9902 3.0164 3.0490 3.0979 3.1604 3.3548 3.3693 3.3800 3.4084 3.9247 3.9551 4.1451 4.1729 7.5018 7.5079 7.5126 7.5156 7.9028 7.9146 7.9174 7.9261 8.8612 8.9080 k = 0.0911 0.0525 0.5377 ( 4370 PWs) bands (ev): -9.1279 -9.1276 -9.0985 -9.0980 -8.5747 -8.5745 -8.4214 -8.4209 -7.0520 -7.0516 -6.9868 -6.9864 -1.6873 -1.6330 -1.4248 -1.3837 -0.5567 -0.5337 -0.4705 -0.4486 0.0637 0.0689 0.1315 0.1873 0.4805 0.5288 0.8699 0.9193 1.3638 1.3860 1.4665 1.4764 1.8274 1.8752 2.0247 2.0275 2.9939 3.0365 3.0717 3.1529 3.3380 3.3589 3.3634 3.3994 3.8831 3.9138 4.1618 4.1886 7.5103 7.5164 7.5237 7.5262 7.9410 7.9524 7.9574 7.9685 8.8136 8.8573 k = 0.1093 0.0630 0.5377 ( 4366 PWs) bands (ev): -9.1254 -9.1250 -9.0900 -9.0894 -8.5948 -8.5947 -8.4115 -8.4109 -7.0607 -7.0603 -6.9832 -6.9828 -1.7088 -1.6538 -1.3951 -1.3559 -0.5787 -0.5519 -0.4738 -0.4483 0.0731 0.0747 0.1580 0.2164 0.4498 0.4971 0.9099 0.9585 1.3596 1.3855 1.4698 1.4768 1.8462 1.8938 2.0604 2.0681 2.9677 3.0209 3.0416 3.1425 3.3182 3.3445 3.3467 3.3882 3.8396 3.8705 4.1779 4.2035 7.5187 7.5247 7.5378 7.5402 7.9844 7.9952 8.0023 8.0167 8.7685 8.8087 k = 0.1276 0.0735 0.5377 ( 4368 PWs) bands (ev): -9.1218 -9.1215 -9.0805 -9.0799 -8.6157 -8.6156 -8.4026 -8.4019 -7.0697 -7.0693 -6.9802 -6.9798 -1.7291 -1.6735 -1.3649 -1.3277 -0.6023 -0.5723 -0.4782 -0.4493 0.0826 0.0833 0.1875 0.2479 0.4218 0.4674 0.9479 0.9953 1.3599 1.3896 1.4732 1.4758 1.8713 1.9173 2.0964 2.1090 2.9385 3.0026 3.0083 3.1290 3.2960 3.3236 3.3332 3.3751 3.7949 3.8260 4.1940 4.2182 7.5260 7.5318 7.5549 7.5571 8.0305 8.0410 8.0503 8.0684 8.7275 8.7633 k = 0.1458 0.0840 0.5377 ( 4374 PWs) bands (ev): -9.1174 -9.1171 -9.0700 -9.0695 -8.6373 -8.6372 -8.3947 -8.3940 -7.0788 -7.0784 -6.9778 -6.9773 -1.7482 -1.6921 -1.3342 -1.2991 -0.6273 -0.5946 -0.4834 -0.4513 0.0921 0.0934 0.2195 0.2814 0.3970 0.4401 0.9832 1.0290 1.3655 1.3986 1.4747 1.4776 1.9012 1.9447 2.1316 2.1492 2.9073 2.9730 2.9816 3.1121 3.2722 3.3013 3.3184 3.3604 3.7499 3.7812 4.2105 4.2331 7.5313 7.5374 7.5747 7.5766 8.0765 8.0876 8.0990 8.1208 8.6924 8.7229 k = 0.1640 0.0945 0.5377 ( 4373 PWs) bands (ev): -9.1120 -9.1118 -9.0587 -9.0581 -8.6595 -8.6594 -8.3878 -8.3871 -7.0880 -7.0876 -6.9759 -6.9755 -1.7660 -1.7094 -1.3031 -1.2701 -0.6535 -0.6188 -0.4893 -0.4544 0.1023 0.1024 0.2532 0.3156 0.3763 0.4163 1.0150 1.0590 1.3768 1.4127 1.4747 1.4840 1.9346 1.9747 2.1646 2.1874 2.8757 2.9373 2.9583 3.0911 3.2480 3.2779 3.3027 3.3444 3.7053 3.7367 4.2276 4.2486 7.5343 7.5409 7.5968 7.5980 8.1188 8.1326 8.1458 8.1705 8.6661 8.6901 k = 0.1822 0.1050 0.5377 ( 4385 PWs) bands (ev): -9.1058 -9.1056 -9.0464 -9.0457 -8.6822 -8.6822 -8.3819 -8.3812 -7.0972 -7.0968 -6.9746 -6.9742 -1.7824 -1.7255 -1.2718 -1.2409 -0.6808 -0.6446 -0.4958 -0.4581 0.1087 0.1128 0.2868 0.3455 0.3623 0.4011 1.0430 1.0850 1.3939 1.4315 1.4764 1.4933 1.9701 2.0063 2.1937 2.2221 2.8456 2.9031 2.9331 3.0655 3.2245 3.2541 3.2862 3.3273 3.6619 3.6933 4.2457 4.2650 7.5339 7.5412 7.6203 7.6208 8.1535 8.1729 8.1877 8.2131 8.6516 8.6681 k = 0.2005 0.1155 0.5377 ( 4381 PWs) bands (ev): -9.0988 -9.0986 -9.0332 -9.0326 -8.7055 -8.7055 -8.3770 -8.3763 -7.1063 -7.1060 -6.9739 -6.9734 -1.7975 -1.7403 -1.2403 -1.2116 -0.7091 -0.6718 -0.5026 -0.4624 0.1113 0.1222 0.3127 0.3516 0.3629 0.4144 1.0673 1.1074 1.4163 1.4535 1.4805 1.5067 2.0068 2.0383 2.2168 2.2514 2.8194 2.8731 2.9065 3.0350 3.2028 3.2305 3.2695 3.3093 3.6203 3.6515 4.2648 4.2825 7.5295 7.5378 7.6443 7.6449 8.1767 8.2054 8.2213 8.2441 8.6522 8.6613 k = 0.2187 0.1260 0.5377 ( 4387 PWs) bands (ev): -9.0910 -9.0908 -9.0192 -9.0186 -8.7293 -8.7293 -8.3731 -8.3723 -7.1153 -7.1150 -6.9736 -6.9731 -1.8111 -1.7538 -1.2090 -1.1824 -0.7381 -0.7003 -0.5094 -0.4668 0.1093 0.1298 0.3208 0.3400 0.3885 0.4503 1.0881 1.1266 1.4432 1.4763 1.4873 1.5257 2.0436 2.0697 2.2317 2.2730 2.7995 2.8499 2.8793 2.9999 3.1831 3.2075 3.2529 3.2910 3.5808 3.6116 4.2850 4.3011 7.5205 7.5300 7.6673 7.6692 8.1857 8.2256 8.2430 8.2602 8.6689 8.6719 k = 0.2369 0.1365 0.5377 ( 4397 PWs) bands (ev): -9.0825 -9.0824 -9.0044 -9.0037 -8.7535 -8.7534 -8.3702 -8.3693 -7.1241 -7.1238 -6.9738 -6.9733 -1.8233 -1.7661 -1.1781 -1.1537 -0.7679 -0.7300 -0.5159 -0.4712 0.1024 0.1343 0.3234 0.3286 0.4267 0.4920 1.1062 1.1435 1.4720 1.4978 1.4983 1.5512 2.0796 2.0995 2.2365 2.2851 2.7871 2.8359 2.8532 2.9614 3.1649 3.1858 3.2372 3.2727 3.5438 3.5740 4.3064 4.3210 7.5064 7.5172 7.6886 7.6922 8.1811 8.2295 8.2489 8.2617 8.6986 8.6991 k = 0.2551 0.1470 0.5377 ( 4392 PWs) bands (ev): -9.0734 -9.0732 -8.9889 -8.9882 -8.7779 -8.7778 -8.3681 -8.3673 -7.1325 -7.1323 -6.9744 -6.9740 -1.8342 -1.7770 -1.1482 -1.1258 -0.7983 -0.7606 -0.5217 -0.4752 0.0911 0.1345 0.3215 0.3284 0.4685 0.5358 1.1224 1.1587 1.4956 1.5175 1.5192 1.5821 2.1137 2.1268 2.2306 2.2868 2.7801 2.8320 2.8324 2.9210 3.1474 3.1655 3.2232 3.2550 3.5097 3.5390 4.3289 4.3421 7.4872 7.4993 7.7065 7.7122 8.1647 8.2161 8.2357 8.2497 8.6681 8.7120 k = 0.2734 0.1575 0.5377 ( 4398 PWs) bands (ev): -9.0637 -9.0636 -8.9726 -8.9719 -8.8025 -8.8025 -8.3670 -8.3661 -7.1407 -7.1404 -6.9754 -6.9750 -1.8437 -1.7867 -1.1197 -1.0993 -0.8294 -0.7921 -0.5263 -0.4782 0.0765 0.1300 0.3197 0.3365 0.5119 0.5809 1.1373 1.1730 1.5109 1.5359 1.5516 1.6161 2.1445 2.1506 2.2151 2.2794 2.7697 2.8242 2.8374 2.8814 3.1301 3.1471 3.2116 3.2388 3.4790 3.5068 4.3525 4.3644 7.4629 7.4763 7.7180 7.7261 8.1376 8.1861 8.2053 8.2265 8.6148 8.6543 k = 0.2916 0.1680 0.5377 ( 4394 PWs) bands (ev): -9.0536 -9.0535 -8.9557 -8.9550 -8.8272 -8.8271 -8.3667 -8.3658 -7.1483 -7.1481 -6.9768 -6.9764 -1.8520 -1.7953 -1.0936 -1.0748 -0.8609 -0.8243 -0.5291 -0.4797 0.0597 0.1210 0.3234 0.3473 0.5561 0.6266 1.1515 1.1867 1.5241 1.5531 1.5876 1.6517 2.1693 2.1694 2.1933 2.2671 2.7514 2.8299 2.8326 2.8625 3.1130 3.1308 3.2027 3.2249 3.4520 3.4776 4.3771 4.3879 7.4340 7.4485 7.7193 7.7298 8.1000 8.1430 8.1681 8.1986 8.5806 8.6145 k = 0.3098 0.1785 0.5377 ( 4390 PWs) bands (ev): -9.0433 -9.0432 -8.9381 -8.9374 -8.8517 -8.8516 -8.3673 -8.3663 -7.1555 -7.1552 -6.9785 -6.9781 -1.8590 -1.8028 -1.0706 -1.0531 -0.8929 -0.8571 -0.5292 -0.4790 0.0415 0.1087 0.3317 0.3602 0.6004 0.6728 1.1654 1.2003 1.5366 1.5689 1.6246 1.6874 2.1607 2.1822 2.1899 2.2581 2.7306 2.7943 2.8488 2.8771 3.0973 3.1172 3.1959 3.2142 3.4297 3.4516 4.4025 4.4123 7.4012 7.4166 7.7053 7.7172 8.0587 8.0973 8.1333 8.1694 8.5594 8.5888 k = 0.3280 0.1890 0.5377 ( 4390 PWs) bands (ev): -9.0332 -9.0331 -8.9201 -8.9193 -8.8756 -8.8755 -8.3686 -8.3677 -7.1621 -7.1618 -6.9804 -6.9800 -1.8649 -1.8094 -1.0521 -1.0354 -0.9251 -0.8903 -0.5259 -0.4756 0.0228 0.0941 0.3435 0.3748 0.6446 0.7188 1.1792 1.2139 1.5480 1.5824 1.6615 1.7225 2.1311 2.1759 2.2011 2.2617 2.7104 2.7580 2.8658 2.8937 3.0857 3.1072 3.1903 3.2073 3.4129 3.4294 4.4285 4.4376 7.3655 7.3816 7.6721 7.6832 8.0259 8.0610 8.1016 8.1394 8.5456 8.5718 k = 0.3462 0.1995 0.5377 ( 4391 PWs) bands (ev): -9.0240 -9.0239 -8.9015 -8.9007 -8.8981 -8.8980 -8.3708 -8.3698 -7.1680 -7.1678 -6.9824 -6.9821 -1.8699 -1.8150 -1.0391 -1.0230 -0.9568 -0.9233 -0.5186 -0.4688 0.0041 0.0783 0.3580 0.3908 0.6882 0.7646 1.1932 1.2277 1.5576 1.5929 1.6977 1.7563 2.1004 2.1570 2.2097 2.2731 2.6917 2.7247 2.8789 2.9039 3.0818 3.1026 3.1848 3.2042 3.4024 3.4113 4.4549 4.4635 7.3278 7.3445 7.6209 7.6299 8.0068 8.0383 8.0720 8.1090 8.5357 8.5594 k = 0.3645 0.2100 0.5377 ( 4399 PWs) bands (ev): -9.0172 -9.0171 -8.9179 -8.9178 -8.8825 -8.8817 -8.3736 -8.3727 -7.1733 -7.1731 -6.9846 -6.9843 -1.8739 -1.8199 -1.0337 -1.0203 -0.9844 -0.9552 -0.5065 -0.4581 -0.0142 0.0621 0.3747 0.4082 0.7311 0.8097 1.2076 1.2418 1.5648 1.5998 1.7327 1.7881 2.0711 2.1345 2.2155 2.2843 2.6750 2.6958 2.8845 2.9035 3.0882 3.1048 3.1785 3.2044 3.3978 3.3988 4.4814 4.4897 7.2895 7.3064 7.5586 7.5655 7.9964 8.0265 8.0447 8.0783 8.5282 8.5498 k = 0.3827 0.2205 0.5377 ( 4398 PWs) bands (ev): -9.0160 -9.0159 -8.9316 -8.9315 -8.8631 -8.8624 -8.3772 -8.3762 -7.1778 -7.1776 -6.9869 -6.9866 -1.8770 -1.8242 -1.0391 -1.0385 -0.9971 -0.9828 -0.4896 -0.4433 -0.0317 0.0459 0.3932 0.4268 0.7728 0.8537 1.2224 1.2564 1.5693 1.6027 1.7662 1.8174 2.0447 2.1126 2.2186 2.2917 2.6604 2.6722 2.8818 2.8926 3.1034 3.1135 3.1713 3.2066 3.3897 3.4018 4.5078 4.5159 7.2517 7.2687 7.4928 7.4984 7.9850 8.0200 8.0239 8.0485 8.5222 8.5419 k = 0.4009 0.2310 0.5377 ( 4391 PWs) bands (ev): -9.0239 -9.0237 -8.9358 -8.9358 -8.8435 -8.8427 -8.3813 -8.3804 -7.1816 -7.1814 -6.9891 -6.9888 -1.8795 -1.8279 -1.0700 -1.0588 -1.0026 -1.0025 -0.4680 -0.4245 -0.0482 0.0303 0.4132 0.4467 0.8132 0.8962 1.2380 1.2717 1.5706 1.6017 1.7979 1.8434 2.0223 2.0933 2.2190 2.2934 2.6483 2.6549 2.8722 2.8748 3.1230 3.1267 3.1636 3.2095 3.3874 3.4105 4.5337 4.5419 7.2156 7.2325 7.4293 7.4346 7.9646 8.0084 8.0138 8.0261 8.5172 8.5350 k = 0.5000 0.2881-0.3481 ( 4396 PWs) bands (ev): -9.0879 -9.0879 -9.0009 -9.0009 -8.5809 -8.5809 -8.4867 -8.4867 -7.2136 -7.2136 -6.9967 -6.9967 -1.7127 -1.7127 -1.4839 -1.4839 -0.7730 -0.7730 -0.4187 -0.4187 -0.2168 -0.2168 0.5171 0.5171 1.1718 1.1718 1.4313 1.4313 1.6056 1.6056 1.7857 1.7857 2.1151 2.1151 2.2240 2.2240 2.6433 2.6433 2.7318 2.7318 2.8961 2.8961 3.1879 3.1879 3.3737 3.3737 4.7466 4.7466 7.1805 7.1805 7.2266 7.2266 7.8573 7.8573 8.1257 8.1257 8.5030 8.5030 k = 0.5105 0.2698-0.3481 ( 4390 PWs) bands (ev): -9.0875 -9.0875 -9.0016 -9.0016 -8.5806 -8.5805 -8.4867 -8.4867 -7.2141 -7.2140 -6.9965 -6.9965 -1.7139 -1.7113 -1.4855 -1.4841 -0.7721 -0.7701 -0.4231 -0.4207 -0.2193 -0.2102 0.5152 0.5172 1.1704 1.1748 1.4253 1.4364 1.5947 1.6185 1.7726 1.7924 2.0967 2.1346 2.2163 2.2359 2.6180 2.6588 2.7164 2.7540 2.8847 2.9138 3.1883 3.1920 3.3724 3.3781 4.7467 4.7471 7.1779 7.1815 7.2229 7.2261 7.8454 7.8526 8.1141 8.1267 8.5037 8.5044 k = 0.5210 0.2516-0.3481 ( 4390 PWs) bands (ev): -9.0860 -9.0860 -9.0037 -9.0036 -8.5796 -8.5795 -8.4865 -8.4864 -7.2154 -7.2153 -6.9961 -6.9959 -1.7148 -1.7096 -1.4890 -1.4862 -0.7673 -0.7633 -0.4337 -0.4290 -0.2177 -0.1999 0.5114 0.5154 1.1704 1.1791 1.4190 1.4399 1.5859 1.6327 1.7540 1.7923 2.0817 2.1502 2.2160 2.2504 2.5890 2.6553 2.7182 2.7764 2.8820 2.9348 3.1940 3.2003 3.3742 3.3854 4.7475 4.7483 7.1721 7.1802 7.2154 7.2224 7.8177 7.8304 8.0952 8.1178 8.5062 8.5076 k = 0.5316 0.2333-0.3481 ( 4388 PWs) bands (ev): -9.0837 -9.0837 -9.0071 -9.0070 -8.5779 -8.5778 -8.4861 -8.4861 -7.2175 -7.2175 -6.9953 -6.9951 -1.7156 -1.7079 -1.4941 -1.4899 -0.7587 -0.7529 -0.4493 -0.4427 -0.2127 -0.1868 0.5057 0.5118 1.1718 1.1849 1.4131 1.4416 1.5792 1.6474 1.7313 1.7864 2.0708 2.1568 2.2255 2.2665 2.5601 2.6398 2.7321 2.7958 2.8882 2.9558 3.2059 3.2130 3.3791 3.3953 4.7489 4.7502 7.1609 7.1736 7.2075 7.2182 7.7756 7.7912 8.0741 8.1024 8.5102 8.5120 k = 0.5421 0.2151-0.3481 ( 4384 PWs) bands (ev): -9.0804 -9.0804 -9.0118 -9.0117 -8.5756 -8.5754 -8.4856 -8.4856 -7.2204 -7.2203 -6.9943 -6.9941 -1.7161 -1.7063 -1.5010 -1.4954 -0.7467 -0.7389 -0.4689 -0.4606 -0.2050 -0.1717 0.4983 0.5066 1.1747 1.1920 1.4079 1.4415 1.5737 1.6619 1.7060 1.7765 2.0633 2.1561 2.2399 2.2836 2.5344 2.6232 2.7495 2.8122 2.9006 2.9742 3.2243 3.2312 3.3868 3.4073 4.7510 4.7527 7.1423 7.1574 7.2037 7.2159 7.7218 7.7377 8.0539 8.0842 8.5153 8.5174 k = 0.5526 0.1968-0.3481 ( 4381 PWs) bands (ev): -9.0762 -9.0762 -9.0178 -9.0176 -8.5727 -8.5725 -8.4850 -8.4849 -7.2238 -7.2237 -6.9931 -6.9929 -1.7166 -1.7048 -1.5095 -1.5025 -0.7317 -0.7219 -0.4912 -0.4816 -0.1953 -0.1551 0.4892 0.4998 1.1789 1.2004 1.4037 1.4402 1.5682 1.6748 1.6801 1.7651 2.0578 2.1520 2.2519 2.3008 2.5148 2.6097 2.7683 2.8278 2.9145 2.9888 3.2475 3.2563 3.3972 3.4212 4.7536 4.7557 7.1166 7.1325 7.2037 7.2158 7.6594 7.6744 8.0352 8.0652 8.5211 8.5237 k = 0.5631 0.1785-0.3481 ( 4385 PWs) bands (ev): -9.0712 -9.0711 -9.0250 -9.0248 -8.5692 -8.5689 -8.4843 -8.4842 -7.2276 -7.2275 -6.9918 -6.9915 -1.7171 -1.7037 -1.5194 -1.5111 -0.7142 -0.7027 -0.5152 -0.5045 -0.1840 -0.1373 0.4787 0.4918 1.1846 1.2099 1.4006 1.4382 1.5615 1.6528 1.6877 1.7539 2.0532 2.1461 2.2584 2.3163 2.5037 2.6013 2.7880 2.8440 2.9270 2.9996 3.2741 3.2885 3.4098 3.4367 4.7566 4.7593 7.0851 7.1014 7.2054 7.2173 7.5924 7.6058 8.0176 8.0462 8.5253 8.5297 k = 0.5737 0.1603-0.3481 ( 4385 PWs) bands (ev): -9.0654 -9.0653 -9.0332 -9.0330 -8.5652 -8.5649 -8.4834 -8.4833 -7.2318 -7.2317 -6.9905 -6.9902 -1.7178 -1.7031 -1.5308 -1.5210 -0.6958 -0.6829 -0.5387 -0.5277 -0.1713 -0.1184 0.4670 0.4827 1.1916 1.2205 1.3984 1.4361 1.5526 1.6279 1.6976 1.7445 2.0485 2.1384 2.2601 2.3283 2.5018 2.5982 2.8079 2.8610 2.9371 3.0077 3.3031 3.3253 3.4246 3.4534 4.7602 4.7633 7.0494 7.0660 7.2077 7.2196 7.5240 7.5360 8.0002 8.0272 8.5130 8.5195 k = 0.5842 0.1420-0.3481 ( 4391 PWs) bands (ev): -9.0595 -9.0595 -9.0418 -9.0416 -8.5608 -8.5604 -8.4825 -8.4823 -7.2360 -7.2359 -6.9893 -6.9889 -1.7189 -1.7035 -1.5435 -1.5321 -0.6795 -0.6668 -0.5572 -0.5480 -0.1570 -0.0985 0.4543 0.4728 1.1997 1.2319 1.3969 1.4341 1.5411 1.6059 1.7051 1.7372 2.0429 2.1284 2.2591 2.3360 2.5081 2.6003 2.8274 2.8771 2.9461 3.0146 3.3333 3.3642 3.4415 3.4715 4.7641 4.7677 7.0109 7.0276 7.2099 7.2222 7.4568 7.4680 7.9827 8.0083 8.4664 8.4773 k = 0.5947 0.1237-0.3481 ( 4395 PWs) bands (ev): -9.0588 -9.0586 -9.0456 -9.0455 -8.5559 -8.5556 -8.4815 -8.4813 -7.2403 -7.2402 -6.9881 -6.9877 -1.7205 -1.7050 -1.5572 -1.5442 -0.6730 -0.6632 -0.5625 -0.5574 -0.1411 -0.0773 0.4409 0.4623 1.2089 1.2439 1.3958 1.4325 1.5273 1.5881 1.7102 1.7320 2.0362 2.1158 2.2577 2.3407 2.5197 2.6063 2.8452 2.8891 2.9572 3.0218 3.3623 3.4022 3.4614 3.4911 4.7683 4.7725 6.9708 6.9875 7.2117 7.2247 7.3934 7.4044 7.9649 7.9894 8.4132 8.4239 k = 0.6052 0.1055-0.3481 ( 4395 PWs) bands (ev): -9.0683 -9.0679 -9.0394 -9.0392 -8.5508 -8.5504 -8.4804 -8.4801 -7.2443 -7.2442 -6.9870 -6.9866 -1.7229 -1.7078 -1.5719 -1.5570 -0.6851 -0.6761 -0.5537 -0.5439 -0.1234 -0.0549 0.4272 0.4517 1.2187 1.2563 1.3948 1.4313 1.5120 1.5751 1.7131 1.7285 2.0282 2.1011 2.2574 2.3436 2.5338 2.6150 2.8596 2.8940 2.9734 3.0309 3.3881 3.4357 3.4858 3.5130 4.7728 4.7776 6.9305 6.9468 7.2122 7.2267 7.3355 7.3477 7.9465 7.9705 8.3610 8.3714 k = 0.6157 0.0872-0.3481 ( 4387 PWs) bands (ev): -9.0807 -9.0803 -9.0304 -9.0303 -8.5453 -8.5449 -8.4792 -8.4790 -7.2481 -7.2480 -6.9860 -6.9856 -1.7263 -1.7121 -1.5873 -1.5704 -0.7112 -0.7003 -0.5320 -0.5164 -0.1037 -0.0311 0.4134 0.4411 1.2288 1.2690 1.3933 1.4308 1.4967 1.5665 1.7144 1.7265 2.0189 2.0848 2.2585 2.3458 2.5483 2.6252 2.8690 2.8919 2.9944 3.0432 3.4092 3.4613 3.5160 3.5376 4.7776 4.7829 6.8910 6.9067 7.2100 7.2278 7.2850 7.3005 7.9278 7.9517 8.3127 8.3236 k = 0.6263 0.0690-0.3481 ( 4387 PWs) bands (ev): -9.0943 -9.0939 -9.0203 -9.0201 -8.5396 -8.5392 -8.4780 -8.4777 -7.2514 -7.2514 -6.9852 -6.9848 -1.7309 -1.7181 -1.6033 -1.5840 -0.7432 -0.7309 -0.5029 -0.4830 -0.0821 -0.0059 0.3999 0.4311 1.2387 1.2820 1.3910 1.4310 1.4830 1.5616 1.7149 1.7259 2.0084 2.0679 2.2607 2.3475 2.5617 2.6358 2.8724 2.8848 3.0181 3.0592 3.4254 3.4795 3.5495 3.5645 4.7827 4.7886 6.8533 6.8683 7.2013 7.2243 7.2469 7.2676 7.9088 7.9330 8.2701 8.2822 k = 0.6368 0.0507-0.3481 ( 4389 PWs) bands (ev): -9.1089 -9.1086 -9.0093 -9.0092 -8.5338 -8.5334 -8.4767 -8.4764 -7.2543 -7.2542 -6.9845 -6.9841 -1.7371 -1.7258 -1.6196 -1.5978 -0.7779 -0.7649 -0.4700 -0.4467 -0.0582 0.0210 0.3871 0.4220 1.2478 1.2953 1.3875 1.4321 1.4725 1.5592 1.7152 1.7271 1.9968 2.0513 2.2631 2.3487 2.5730 2.6461 2.8684 2.8760 3.0428 3.0784 3.4371 3.4923 3.5829 3.5922 4.7882 4.7947 6.8185 6.8324 7.1841 7.2018 7.2368 7.2522 7.8900 7.9148 8.2345 8.2482 k = 0.3632-0.6303 0.0000 ( 4389 PWs) bands (ev): -9.1089 -9.1086 -9.0093 -9.0092 -8.5338 -8.5334 -8.4767 -8.4764 -7.2543 -7.2542 -6.9845 -6.9841 -1.7371 -1.7258 -1.6196 -1.5978 -0.7779 -0.7649 -0.4700 -0.4467 -0.0582 0.0210 0.3871 0.4220 1.2478 1.2953 1.3875 1.4321 1.4725 1.5592 1.7152 1.7271 1.9968 2.0513 2.2631 2.3487 2.5730 2.6461 2.8684 2.8760 3.0428 3.0784 3.4371 3.4923 3.5829 3.5922 4.7882 4.7947 6.8185 6.8324 7.1841 7.2018 7.2368 7.2522 7.8900 7.9148 8.2345 8.2482 k = 0.3525-0.6118 0.0000 ( 4395 PWs) bands (ev): -9.1247 -9.1243 -8.9974 -8.9972 -8.5279 -8.5274 -8.4754 -8.4751 -7.2565 -7.2565 -6.9839 -6.9835 -1.7453 -1.7349 -1.6365 -1.6120 -0.8148 -0.8014 -0.4347 -0.4083 -0.0319 0.0498 0.3752 0.4141 1.2556 1.3089 1.3826 1.4335 1.4661 1.5586 1.7162 1.7308 1.9841 2.0352 2.2651 2.3490 2.5816 2.6556 2.8559 2.8680 3.0677 3.0998 3.4449 3.5013 3.6146 3.6198 4.7942 4.8013 6.7867 6.7994 7.1649 7.1787 7.2370 7.2480 7.8718 7.8970 8.2061 8.2215 k = 0.3418-0.5933 0.0000 ( 4399 PWs) bands (ev): -9.1412 -9.1408 -8.9847 -8.9845 -8.5219 -8.5214 -8.4740 -8.4737 -7.2581 -7.2580 -6.9834 -6.9830 -1.7558 -1.7452 -1.6533 -1.6262 -0.8528 -0.8391 -0.3988 -0.3695 -0.0034 0.0803 0.3650 0.4080 1.2615 1.3219 1.3771 1.4347 1.4648 1.5587 1.7185 1.7377 1.9708 2.0206 2.2658 2.3477 2.5866 2.6635 2.8393 2.8585 3.0917 3.1219 3.4491 3.5068 3.6429 3.6453 4.8009 4.8084 6.7592 6.7705 7.1515 7.1646 7.2391 7.2490 7.8552 7.8804 8.1856 8.2025 k = 0.3312-0.5747 0.0000 ( 4401 PWs) bands (ev): -9.1583 -9.1579 -8.9713 -8.9712 -8.5161 -8.5156 -8.4726 -8.4723 -7.2588 -7.2588 -6.9829 -6.9825 -1.7685 -1.7564 -1.6700 -1.6406 -0.8913 -0.8776 -0.3631 -0.3311 0.0270 0.1122 0.3569 0.4042 1.2653 1.3312 1.3740 1.4359 1.4680 1.5588 1.7231 1.7482 1.9574 2.0081 2.2647 2.3444 2.5873 2.6691 2.8208 2.8473 3.1141 3.1436 3.4502 3.5092 3.6671 3.6682 4.8083 4.8162 6.7363 6.7461 7.1467 7.1604 7.2428 7.2531 7.8410 7.8657 8.1722 8.1904 k = 0.3205-0.5562 0.0000 ( 4403 PWs) bands (ev): -9.1761 -9.1757 -8.9573 -8.9572 -8.5104 -8.5099 -8.4711 -8.4708 -7.2588 -7.2588 -6.9824 -6.9821 -1.7828 -1.7685 -1.6864 -1.6552 -0.9302 -0.9164 -0.3285 -0.2940 0.0592 0.1453 0.3517 0.4034 1.2668 1.3307 1.3793 1.4378 1.4739 1.5585 1.7305 1.7626 1.9444 1.9981 2.2610 2.3384 2.5834 2.6715 2.8016 2.8356 3.1346 3.1644 3.4484 3.5089 3.6871 3.6879 4.8165 4.8247 6.7183 6.7265 7.1514 7.1662 7.2487 7.2600 7.8300 7.8533 8.1652 8.1843 k = 0.3098-0.5376 0.0000 ( 4401 PWs) bands (ev): -9.1944 -9.1940 -8.9428 -8.9426 -8.5051 -8.5046 -8.4695 -8.4692 -7.2579 -7.2579 -6.9819 -6.9816 -1.7984 -1.7817 -1.7025 -1.6703 -0.9691 -0.9554 -0.2957 -0.2591 0.0926 0.1789 0.3505 0.4061 1.2657 1.3203 1.3925 1.4409 1.4812 1.5574 1.7407 1.7811 1.9328 1.9912 2.2543 2.3293 2.5743 2.6695 2.7832 2.8241 3.1526 3.1836 3.4442 3.5062 3.7029 3.7043 4.8256 4.8340 6.7052 6.7119 7.1656 7.1818 7.2570 7.2697 7.8228 7.8439 8.1635 8.1831 k = 0.2991-0.5191 0.0000 ( 4401 PWs) bands (ev): -9.2131 -9.2127 -8.9276 -8.9274 -8.5002 -8.4998 -8.4676 -8.4673 -7.2561 -7.2561 -6.9814 -6.9811 -1.8146 -1.7957 -1.7184 -1.6858 -1.0081 -0.9944 -0.2653 -0.2271 0.1267 0.2116 0.3548 0.4131 1.2614 1.3042 1.4087 1.4455 1.4891 1.5556 1.7537 1.8037 1.9237 1.9883 2.2443 2.3165 2.5603 2.6613 2.7675 2.8136 3.1676 3.2008 3.4383 3.5015 3.7149 3.7174 4.8355 4.8439 6.6968 6.7021 7.1886 7.2062 7.2682 7.2823 7.8195 7.8374 8.1665 8.1861 k = 0.2884-0.5006 0.0000 ( 4403 PWs) bands (ev): -9.2321 -9.2317 -8.9120 -8.9118 -8.4961 -8.4957 -8.4654 -8.4651 -7.2535 -7.2534 -6.9808 -6.9805 -1.8310 -1.8104 -1.7340 -1.7018 -1.0468 -1.0330 -0.2379 -0.1985 0.1605 0.2411 0.3672 0.4251 1.2534 1.2840 1.4232 1.4532 1.4972 1.5528 1.7692 1.8299 1.9184 1.9900 2.2309 2.3000 2.5418 2.6463 2.7557 2.8045 3.1792 3.2155 3.4314 3.4956 3.7238 3.7278 4.8461 4.8545 6.6931 6.6971 7.2195 7.2383 7.2830 7.2981 7.8204 7.8340 8.1736 8.1928 k = 0.2777-0.4820 0.0000 ( 4401 PWs) bands (ev): -9.2514 -9.2510 -8.8960 -8.8958 -8.4927 -8.4924 -8.4628 -8.4625 -7.2500 -7.2499 -6.9800 -6.9797 -1.8475 -1.8254 -1.7495 -1.7183 -1.0852 -1.0713 -0.2135 -0.1735 0.1926 0.2648 0.3903 0.4429 1.2410 1.2601 1.4309 1.4673 1.5050 1.5498 1.7864 1.8586 1.9187 1.9969 2.2143 2.2797 2.5196 2.6255 2.7471 2.7969 3.1869 3.2272 3.4247 3.4891 3.7300 3.7359 4.8573 4.8656 6.6934 6.6967 7.2568 7.2753 7.3029 7.3171 7.8253 7.8341 8.1845 8.2027 k = 0.2671-0.4635 0.0000 ( 4407 PWs) bands (ev): -9.2708 -9.2704 -8.8796 -8.8794 -8.4902 -8.4900 -8.4597 -8.4594 -7.2456 -7.2455 -6.9791 -6.9789 -1.8636 -1.8405 -1.7649 -1.7352 -1.1231 -1.1091 -0.1922 -0.1520 0.2219 0.2826 0.4239 0.4670 1.2236 1.2326 1.4307 1.4866 1.5104 1.5492 1.8046 1.8868 1.9275 2.0090 2.1952 2.2564 2.4953 2.6012 2.7401 2.7904 3.1903 3.2349 3.4196 3.4833 3.7344 3.7426 4.8688 4.8768 6.6972 6.7007 7.2974 7.3099 7.3318 7.3403 7.8330 7.8397 8.1991 8.2160 k = 0.2564-0.4450 0.0000 ( 4401 PWs) bands (ev): -9.2902 -9.2899 -8.8629 -8.8626 -8.4886 -8.4885 -8.4562 -8.4560 -7.2403 -7.2402 -6.9780 -6.9778 -1.8791 -1.8554 -1.7802 -1.7525 -1.1604 -1.1461 -0.1737 -0.1337 0.2472 0.2968 0.4655 0.4973 1.1983 1.2044 1.4245 1.5005 1.5167 1.5557 1.8225 1.9083 1.9495 2.0256 2.1747 2.2311 2.4707 2.5758 2.7332 2.7848 3.1890 3.2380 3.4175 3.4792 3.7378 3.7483 4.8804 4.8881 6.7045 6.7089 7.3288 7.3477 7.3583 7.3801 7.8426 7.8548 8.2169 8.2325 k = 0.2457-0.4264 0.0000 ( 4389 PWs) bands (ev): -9.3096 -9.3093 -8.8458 -8.8456 -8.4878 -8.4878 -8.4525 -8.4522 -7.2343 -7.2341 -6.9768 -6.9767 -1.8940 -1.8700 -1.7954 -1.7700 -1.1971 -1.1824 -0.1577 -0.1181 0.2679 0.3100 0.5119 0.5330 1.1633 1.1776 1.4131 1.4927 1.5380 1.5700 1.8378 1.9231 1.9810 2.0446 2.1552 2.2069 2.4486 2.5518 2.7255 2.7793 3.1836 3.2362 3.4196 3.4778 3.7407 3.7536 4.8917 4.8990 6.7149 6.7208 7.3503 7.3781 7.3938 7.4270 7.8583 7.8794 8.2372 8.2518 k = 0.2350-0.4079 0.0000 ( 4385 PWs) bands (ev): -9.3289 -9.3286 -8.8286 -8.8284 -8.4877 -8.4876 -8.4487 -8.4483 -7.2274 -7.2273 -6.9755 -6.9753 -1.9079 -1.8839 -1.8102 -1.7877 -1.2330 -1.2178 -0.1435 -0.1046 0.2842 0.3237 0.5610 0.5725 1.1239 1.1477 1.3973 1.4769 1.5616 1.5898 1.8478 1.9330 2.0134 2.0620 2.1398 2.1889 2.4327 2.5317 2.7163 2.7730 3.1748 3.2303 3.4258 3.4795 3.7436 3.7591 4.9024 4.9093 6.7283 6.7357 7.3666 7.3945 7.4380 7.4726 7.8843 7.9149 8.2581 8.2727 k = 0.2243-0.3893 0.0000 ( 4379 PWs) bands (ev): -9.3480 -9.3477 -8.8113 -8.8111 -8.4882 -8.4881 -8.4449 -8.4445 -7.2199 -7.2197 -6.9739 -6.9738 -1.9208 -1.8971 -1.8247 -1.8054 -1.2680 -1.2523 -0.1307 -0.0925 0.2971 0.3380 0.6108 0.6142 1.0811 1.1151 1.3777 1.4571 1.5842 1.6139 1.8484 1.9337 2.0408 2.0731 2.1330 2.1844 2.4277 2.5184 2.7058 2.7654 3.1642 3.2217 3.4359 3.4846 3.7468 3.7650 4.9124 4.9187 6.7446 6.7536 7.3756 7.4028 7.4804 7.5145 7.9232 7.9628 8.2775 8.2933 k = 0.2137-0.3708 0.0000 ( 4373 PWs) bands (ev): -9.3668 -9.3665 -8.7939 -8.7936 -8.4891 -8.4889 -8.4413 -8.4409 -7.2116 -7.2114 -6.9723 -6.9722 -1.9326 -1.9097 -1.8386 -1.8229 -1.3022 -1.2858 -0.1187 -0.0811 0.3078 0.3526 0.6550 0.6610 1.0359 1.0807 1.3549 1.4344 1.6049 1.6406 1.8369 1.9198 2.0584 2.0756 2.1405 2.1954 2.4376 2.5145 2.6951 2.7559 3.1534 3.2127 3.4489 3.4928 3.7507 3.7714 4.9214 4.9272 6.7636 6.7741 7.3748 7.4008 7.5201 7.5523 7.9755 8.0226 8.2930 8.3112 k = 0.2030-0.3523 0.0000 ( 4373 PWs) bands (ev): -9.3852 -9.3849 -8.7764 -8.7762 -8.4904 -8.4902 -8.4379 -8.4375 -7.2028 -7.2026 -6.9706 -6.9705 -1.9433 -1.9214 -1.8517 -1.8402 -1.3355 -1.3182 -0.1071 -0.0699 0.3171 0.3673 0.6940 0.7086 0.9894 1.0461 1.3297 1.4095 1.6232 1.6681 1.8134 1.8911 2.0645 2.0699 2.1634 2.2188 2.4619 2.5209 2.6872 2.7450 3.1438 3.2050 3.4641 3.5036 3.7551 3.7786 4.9292 4.9346 6.7850 6.7970 7.3634 7.3876 7.5564 7.5863 8.0379 8.0916 8.3033 8.3236 k = 0.1923-0.3337 0.0000 ( 4375 PWs) bands (ev): -9.4031 -9.4029 -8.7590 -8.7588 -8.4920 -8.4917 -8.4349 -8.4344 -7.1934 -7.1931 -6.9689 -6.9688 -1.9529 -1.9325 -1.8637 -1.8569 -1.3679 -1.3497 -0.0954 -0.0584 0.3254 0.3819 0.7277 0.7521 0.9434 1.0139 1.3028 1.3833 1.6373 1.6942 1.7821 1.8518 2.0562 2.0614 2.1971 2.2528 2.4902 2.5371 2.6878 2.7357 3.1367 3.2002 3.4810 3.5165 3.7602 3.7865 4.9358 4.9407 6.8087 6.8220 7.3419 7.3643 7.5884 7.6165 8.1043 8.1643 8.3097 8.3299 k = 0.1816-0.3152 0.0000 ( 4377 PWs) bands (ev): -9.4205 -9.4203 -8.7417 -8.7415 -8.4938 -8.4935 -8.4322 -8.4318 -7.1835 -7.1832 -6.9671 -6.9670 -1.9614 -1.9430 -1.8743 -1.8728 -1.3993 -1.3801 -0.0834 -0.0463 0.3329 0.3963 0.7525 0.7858 0.9035 0.9871 1.2750 1.3563 1.6434 1.7125 1.7524 1.8077 2.0369 2.0512 2.2376 2.2964 2.5023 2.5618 2.7033 2.7382 3.1328 3.1991 3.4990 3.5312 3.7658 3.7951 4.9411 4.9456 6.8345 6.8489 7.3119 7.3322 7.6145 7.6416 8.1642 8.2298 8.3180 8.3351 k = 0.1709-0.2966 0.0000 ( 4375 PWs) bands (ev): -9.4373 -9.4371 -8.7246 -8.7244 -8.4958 -8.4955 -8.4300 -8.4295 -7.1732 -7.1729 -6.9654 -6.9653 -1.9692 -1.9529 -1.8877 -1.8833 -1.4297 -1.4095 -0.0707 -0.0331 0.3395 0.4105 0.7642 0.7923 0.8866 0.9696 1.2471 1.3298 1.6331 1.7053 1.7364 1.7766 2.0146 2.0377 2.2817 2.3476 2.4955 2.5755 2.7360 2.7680 3.1322 3.2021 3.5179 3.5475 3.7718 3.8044 4.9450 4.9492 6.8619 6.8772 7.2749 7.2933 7.6331 7.6599 8.2024 8.2656 8.3391 8.3530 k = 0.1602-0.2781 0.0000 ( 4379 PWs) bands (ev): -9.4535 -9.4532 -8.7077 -8.7075 -8.4979 -8.4975 -8.4282 -8.4277 -7.1626 -7.1623 -6.9638 -6.9637 -1.9767 -1.9622 -1.9012 -1.8903 -1.4592 -1.4378 -0.0572 -0.0188 0.3449 0.4242 0.7585 0.7669 0.8998 0.9625 1.2201 1.3050 1.6009 1.6846 1.7031 1.7840 1.9919 2.0249 2.3235 2.4043 2.4822 2.5662 2.7896 2.8216 3.1348 3.2090 3.5374 3.5651 3.7779 3.8142 4.9478 4.9517 6.8905 6.9064 7.2327 7.2496 7.6425 7.6695 8.2120 8.2661 8.3696 8.3856 k = 0.1496-0.2596 0.0000 ( 4379 PWs) bands (ev): -9.4688 -9.4686 -8.6912 -8.6910 -8.5000 -8.4997 -8.4269 -8.4265 -7.1517 -7.1515 -6.9623 -6.9622 -1.9843 -1.9708 -1.9127 -1.8953 -1.4877 -1.4652 -0.0427 -0.0031 0.3486 0.4369 0.7227 0.7500 0.9180 0.9624 1.1946 1.2832 1.5565 1.6382 1.6893 1.7960 1.9722 2.0160 2.3497 2.4570 2.4849 2.5465 2.8570 2.8880 3.1403 3.2194 3.5572 3.5839 3.7842 3.8245 4.9493 4.9531 6.9185 6.9349 7.1872 7.2041 7.6415 7.6688 8.2030 8.2514 8.3962 8.4103 k = 0.1389-0.2410 0.0000 ( 4377 PWs) bands (ev): -9.4834 -9.4832 -8.6751 -8.6748 -8.5021 -8.5018 -8.4262 -8.4258 -7.1407 -7.1405 -6.9610 -6.9609 -1.9926 -1.9791 -1.9215 -1.8980 -1.5153 -1.4917 -0.0274 0.0139 0.3501 0.4476 0.6841 0.7324 0.9284 0.9641 1.1713 1.2653 1.5087 1.5872 1.6779 1.8007 1.9593 2.0124 2.3456 2.4663 2.5393 2.5441 2.9302 2.9610 3.1483 3.2331 3.5772 3.6039 3.7903 3.8353 4.9499 4.9535 6.9420 6.9597 7.1418 7.1625 7.6295 7.6571 8.1845 8.2296 8.4117 8.4224 k = 0.1282-0.2225 0.0000 ( 4373 PWs) bands (ev): -9.4972 -9.4970 -8.6594 -8.6592 -8.5042 -8.5038 -8.4260 -8.4256 -7.1297 -7.1294 -6.9600 -6.9598 -2.0013 -1.9874 -1.9270 -1.8985 -1.5421 -1.5172 -0.0114 0.0323 0.3490 0.4546 0.6507 0.7159 0.9270 0.9636 1.1496 1.2508 1.4615 1.5377 1.6653 1.7955 1.9563 2.0137 2.3203 2.4418 2.5815 2.6069 3.0046 3.0366 3.1592 3.2499 3.5971 3.6252 3.7962 3.8467 4.9495 4.9531 6.9506 6.9719 7.1061 7.1358 7.6070 7.6345 8.1598 8.2030 8.4163 8.4245 k = 0.1175-0.2039 0.0000 ( 4367 PWs) bands (ev): -9.5100 -9.5098 -8.6443 -8.6441 -8.5061 -8.5057 -8.4264 -8.4260 -7.1187 -7.1184 -6.9593 -6.9591 -2.0101 -1.9962 -1.9291 -1.8968 -1.5680 -1.5419 0.0052 0.0517 0.3449 0.4556 0.6265 0.7035 0.9155 0.9578 1.1282 1.2367 1.4179 1.4909 1.6533 1.7830 1.9617 2.0187 2.2872 2.4046 2.6368 2.6766 3.0769 3.1087 3.1761 3.2699 3.6169 3.6478 3.8018 3.8586 4.9485 4.9519 6.9320 6.9540 7.1001 7.1356 7.5748 7.6019 8.1302 8.1720 8.4119 8.4187 k = 0.1068-0.1854 0.0000 ( 4365 PWs) bands (ev): -9.5218 -9.5217 -8.6300 -8.6298 -8.5077 -8.5073 -8.4274 -8.4270 -7.1078 -7.1076 -6.9589 -6.9587 -2.0189 -2.0053 -1.9279 -1.8932 -1.5931 -1.5659 0.0219 0.0717 0.3383 0.4492 0.6136 0.6965 0.8976 0.9454 1.1054 1.2184 1.3803 1.4473 1.6447 1.7686 1.9719 2.0263 2.2514 2.3638 2.6969 2.7467 3.1409 3.1594 3.2163 3.2947 3.6363 3.6719 3.8068 3.8712 4.9470 4.9503 6.8904 6.9080 7.1229 7.1581 7.5348 7.5611 8.0964 8.1370 8.4011 8.4071 k = 0.0961-0.1669 0.0000 ( 4359 PWs) bands (ev): -9.5327 -9.5326 -8.6164 -8.6162 -8.5089 -8.5085 -8.4290 -8.4286 -7.0972 -7.0969 -6.9588 -6.9586 -2.0272 -2.0144 -1.9240 -1.8877 -1.6175 -1.5891 0.0382 0.0914 0.3305 0.4374 0.6110 0.6946 0.8765 0.9276 1.0799 1.1927 1.3492 1.4062 1.6417 1.7573 1.9837 2.0352 2.2151 2.3217 2.7577 2.8157 3.1716 3.2051 3.2810 3.3274 3.6554 3.6979 3.8112 3.8846 4.9451 4.9483 6.8379 6.8511 7.1581 7.1925 7.4893 7.5143 8.0588 8.0983 8.3859 8.3913 k = 0.0855-0.1483 0.0000 ( 4361 PWs) bands (ev): -9.5425 -9.5424 -8.6039 -8.6037 -8.5096 -8.5092 -8.4311 -8.4307 -7.0869 -7.0867 -6.9592 -6.9590 -2.0349 -2.0233 -1.9177 -1.8805 -1.6411 -1.6116 0.0534 0.1095 0.3237 0.4244 0.6147 0.6962 0.8553 0.9066 1.0521 1.1603 1.3217 1.3670 1.6456 1.7520 1.9950 2.0444 2.1798 2.2792 2.8170 2.8824 3.1849 3.2463 3.3457 3.3711 3.6739 3.7259 3.8151 3.8988 4.9430 4.9460 6.7814 6.7912 7.1985 7.2328 7.4408 7.4643 8.0176 8.0561 8.3681 8.3728 k = 0.0748-0.1298 0.0000 ( 4349 PWs) bands (ev): -9.5513 -9.5511 -8.5925 -8.5923 -8.5097 -8.5093 -8.4338 -8.4335 -7.0772 -7.0769 -6.9599 -6.9597 -2.0419 -2.0316 -1.9093 -1.8716 -1.6641 -1.6335 0.0666 0.1238 0.3212 0.4146 0.6205 0.6975 0.8377 0.8845 1.0237 1.1249 1.2936 1.3288 1.6562 1.7544 2.0040 2.0535 2.1467 2.2370 2.8734 2.9454 3.1955 3.2747 3.4029 3.4230 3.6917 3.7560 3.8186 3.9139 4.9409 4.9437 6.7245 6.7318 7.2409 7.2763 7.3923 7.4142 7.9732 8.0108 8.3493 8.3533 k = 0.0641-0.1112 0.0000 ( 4343 PWs) bands (ev): -9.5589 -9.5588 -8.5826 -8.5824 -8.5089 -8.5085 -8.4371 -8.4367 -7.0680 -7.0678 -6.9609 -6.9607 -2.0480 -2.0392 -1.8992 -1.8613 -1.6863 -1.6548 0.0773 0.1323 0.3260 0.4106 0.6245 0.6932 0.8274 0.8637 0.9975 1.0904 1.2629 1.2911 1.6727 1.7640 2.0084 2.0618 2.1181 2.1954 2.9258 3.0030 3.2049 3.2942 3.4530 3.4734 3.7089 3.7863 3.8235 3.9295 4.9389 4.9416 6.6699 6.6750 7.2797 7.3179 7.3498 7.3711 7.9260 7.9626 8.3307 8.3340 k = 0.0534-0.0927 0.0000 ( 4343 PWs) bands (ev): -9.5654 -9.5653 -8.5744 -8.5742 -8.5071 -8.5067 -8.4408 -8.4404 -7.0596 -7.0594 -6.9623 -6.9621 -2.0532 -2.0458 -1.8875 -1.8496 -1.7079 -1.6754 0.0852 0.1343 0.3399 0.4138 0.6234 0.6793 0.8262 0.8470 0.9762 1.0602 1.2295 1.2537 1.6938 1.7796 2.0049 2.0691 2.0973 2.1548 2.9733 3.0533 3.2143 3.3075 3.4963 3.5163 3.7253 3.8067 3.8390 3.9449 4.9371 4.9395 6.6193 6.6228 7.2831 7.3032 7.3584 7.3796 7.8765 7.9121 8.3135 8.3161 k = 0.0427-0.0742 0.0000 ( 4349 PWs) bands (ev): -9.5708 -9.5707 -8.5679 -8.5677 -8.5044 -8.5040 -8.4448 -8.4445 -7.0522 -7.0520 -6.9638 -6.9636 -2.0574 -2.0515 -1.8744 -1.8369 -1.7286 -1.6955 0.0906 0.1309 0.3622 0.4243 0.6149 0.6560 0.8280 0.8392 0.9628 1.0367 1.1952 1.2165 1.7182 1.7991 1.9918 2.0752 2.0860 2.1160 3.0154 3.0933 3.2252 3.3155 3.5320 3.5500 3.7409 3.8109 3.8695 3.9591 4.9357 4.9378 6.5748 6.5770 7.2516 7.2654 7.3999 7.4270 7.8251 7.8598 8.2983 8.3004 k = 0.0320-0.0556 0.0000 ( 4349 PWs) bands (ev): -9.5749 -9.5749 -8.5632 -8.5631 -8.5008 -8.5005 -8.4489 -8.4486 -7.0460 -7.0459 -6.9653 -6.9652 -2.0605 -2.0561 -1.8602 -1.8235 -1.7483 -1.7150 0.0942 0.1245 0.3908 0.4409 0.5984 0.6262 0.8258 0.8412 0.9604 1.0216 1.1620 1.1805 1.7447 1.8192 1.9736 2.0710 2.0801 2.0897 3.0517 3.1200 3.2399 3.3185 3.5599 3.5745 3.7554 3.8095 3.9021 3.9703 4.9346 4.9363 6.5379 6.5393 7.2216 7.2319 7.4489 7.4778 7.7726 7.8064 8.2861 8.2876 k = 0.0214-0.0371 0.0000 ( 4355 PWs) bands (ev): -9.5779 -9.5779 -8.5601 -8.5600 -8.4971 -8.4968 -8.4527 -8.4525 -7.0413 -7.0412 -6.9667 -6.9666 -2.0626 -2.0597 -1.8450 -1.8105 -1.7658 -1.7336 0.0973 0.1173 0.4235 0.4619 0.5753 0.5935 0.8257 0.8413 0.9694 1.0143 1.1326 1.1475 1.7720 1.8343 1.9594 2.0374 2.0835 2.0871 3.0818 3.1322 3.2585 3.3162 3.5802 3.5904 3.7688 3.8055 3.9312 3.9768 4.9339 4.9352 6.5103 6.5111 7.1991 7.2060 7.5002 7.5298 7.7197 7.7523 8.2770 8.2780 k = 0.0107-0.0185 0.0000 ( 4357 PWs) bands (ev): -9.5797 -9.5797 -8.5584 -8.5584 -8.4941 -8.4939 -8.4556 -8.4555 -7.0382 -7.0382 -6.9676 -6.9676 -2.0636 -2.0621 -1.8291 -1.8040 -1.7753 -1.7513 0.1006 0.1106 0.4574 0.4829 0.5496 0.5623 0.8284 0.8377 0.9858 1.0105 1.1118 1.1211 1.7987 1.8360 1.9593 2.0044 2.0858 2.0873 3.1056 3.1321 3.2782 3.3085 3.5932 3.5984 3.7808 3.7993 3.9541 3.9770 4.9337 4.9344 6.4933 6.4936 7.1858 7.1892 7.5519 7.5806 7.6686 7.6988 8.2716 8.2721 k = 0.0000 0.0000 0.0000 ( 4363 PWs) bands (ev): -9.5803 -9.5803 -8.5578 -8.5578 -8.4928 -8.4928 -8.4567 -8.4567 -7.0372 -7.0372 -6.9679 -6.9679 -2.0634 -2.0634 -1.8137 -1.8137 -1.7670 -1.7670 0.1050 0.1050 0.4851 0.4851 0.5407 0.5407 0.8328 0.8328 1.0018 1.0018 1.1072 1.1072 1.8219 1.8219 1.9765 1.9765 2.0870 2.0870 3.1226 3.1226 3.2955 3.2955 3.5993 3.5993 3.7910 3.7910 3.9695 3.9695 4.9338 4.9338 6.4876 6.4876 7.1824 7.1824 7.5981 7.5981 7.6514 7.6514 8.2699 8.2699 k = 0.0000 0.0000 0.0000 ( 4363 PWs) bands (ev): -9.5803 -9.5803 -8.5578 -8.5578 -8.4928 -8.4928 -8.4567 -8.4567 -7.0372 -7.0372 -6.9679 -6.9679 -2.0634 -2.0634 -1.8137 -1.8137 -1.7670 -1.7670 0.1050 0.1050 0.4851 0.4851 0.5407 0.5407 0.8328 0.8328 1.0018 1.0018 1.1072 1.1072 1.8219 1.8219 1.9765 1.9765 2.0870 2.0870 3.1226 3.1226 3.2955 3.2955 3.5993 3.5993 3.7910 3.7910 3.9695 3.9695 4.9338 4.9338 6.4876 6.4876 7.1824 7.1824 7.5981 7.5981 7.6514 7.6514 8.2699 8.2699 k = 0.0172-0.0100-0.0060 ( 4361 PWs) bands (ev): -9.5797 -9.5797 -8.5582 -8.5582 -8.4939 -8.4937 -8.4560 -8.4559 -7.0380 -7.0379 -6.9678 -6.9677 -2.0634 -2.0622 -1.8258 -1.8044 -1.7748 -1.7544 0.1007 0.1091 0.4641 0.4864 0.5451 0.5572 0.8274 0.8352 0.9896 1.0098 1.1122 1.1201 1.8033 1.8340 1.9613 1.9983 2.0860 2.0874 3.1090 3.1305 3.2806 3.3058 3.5940 3.5996 3.7819 3.7967 3.9569 3.9753 4.9334 4.9341 6.4931 6.4933 7.1847 7.1889 7.5618 7.5895 7.6598 7.6887 8.2698 8.2703 k = 0.0345-0.0200-0.0120 ( 4352 PWs) bands (ev): -9.5780 -9.5780 -8.5594 -8.5593 -8.4966 -8.4963 -8.4541 -8.4539 -7.0403 -7.0402 -6.9672 -6.9671 -2.0622 -2.0596 -1.8378 -1.8052 -1.7707 -1.7398 0.0964 0.1130 0.4375 0.4713 0.5657 0.5819 0.8199 0.8334 0.9787 1.0155 1.1327 1.1458 1.7817 1.8357 1.9571 2.0233 2.0845 2.0875 3.0899 3.1319 3.2619 3.3113 3.5835 3.5949 3.7698 3.7981 3.9381 3.9744 4.9327 4.9340 6.5095 6.5101 7.1955 7.2041 7.5210 7.5507 7.6993 7.7313 8.2700 8.2709 k = 0.0517-0.0300-0.0180 ( 4353 PWs) bands (ev): -9.5751 -9.5750 -8.5616 -8.5614 -8.5002 -8.4999 -8.4516 -8.4513 -7.0440 -7.0439 -6.9664 -6.9663 -2.0597 -2.0559 -1.8492 -1.8131 -1.7574 -1.7241 0.0918 0.1164 0.4105 0.4530 0.5888 0.6103 0.8109 0.8268 0.9744 1.0243 1.1623 1.1789 1.7589 1.8264 1.9642 2.0485 2.0829 2.0886 3.0655 3.1254 3.2408 3.3116 3.5674 3.5851 3.7554 3.7941 3.9153 3.9677 4.9318 4.9337 6.5361 6.5372 7.2136 7.2269 7.4812 7.5108 7.7410 7.7740 8.2706 8.2719 k = 0.0690-0.0400-0.0240 ( 4352 PWs) bands (ev): -9.5710 -9.5710 -8.5649 -8.5647 -8.5042 -8.5038 -8.4488 -8.4485 -7.0489 -7.0488 -6.9654 -6.9652 -2.0561 -2.0511 -1.8594 -1.8221 -1.7411 -1.7074 0.0867 0.1190 0.3847 0.4355 0.6111 0.6402 0.8025 0.8166 0.9785 1.0389 1.1962 1.2158 1.7362 1.8108 1.9781 2.0657 2.0831 2.0974 3.0360 3.1089 3.2195 3.3068 3.5453 3.5702 3.7395 3.7830 3.8918 3.9568 4.9308 4.9332 6.5717 6.5734 7.2369 7.2559 7.4444 7.4736 7.7821 7.8155 8.2719 8.2735 k = 0.0862-0.0500-0.0300 ( 4351 PWs) bands (ev): -9.5658 -9.5657 -8.5696 -8.5694 -8.5078 -8.5074 -8.4461 -8.4458 -7.0549 -7.0547 -6.9644 -6.9642 -2.0513 -2.0452 -1.8685 -1.8306 -1.7234 -1.6898 0.0810 0.1202 0.3611 0.4199 0.6307 0.6690 0.7971 0.8072 0.9895 1.0586 1.2315 1.2546 1.7147 1.7938 1.9932 2.0676 2.0865 2.1214 3.0014 3.0813 3.1993 3.2963 3.5171 3.5498 3.7225 3.7640 3.8709 3.9430 4.9298 4.9324 6.6147 6.6172 7.2606 7.2874 7.4139 7.4432 7.8214 7.8550 8.2742 8.2760 k = 0.1034-0.0600-0.0360 ( 4351 PWs) bands (ev): -9.5595 -9.5594 -8.5760 -8.5758 -8.5108 -8.5104 -8.4436 -8.4432 -7.0617 -7.0615 -6.9635 -6.9633 -2.0456 -2.0384 -1.8763 -1.8381 -1.7045 -1.6714 0.0742 0.1194 0.3405 0.4070 0.6458 0.6929 0.7970 0.8061 1.0047 1.0816 1.2661 1.2937 1.6958 1.7787 2.0053 2.0642 2.0944 2.1515 2.9622 3.0433 3.1797 3.2792 3.4841 3.5237 3.7047 3.7388 3.8540 3.9277 4.9287 4.9315 6.6634 6.6670 7.2746 7.3100 7.3998 7.4290 7.8584 7.8920 8.2778 8.2799 k = 0.1207-0.0700-0.0420 ( 4357 PWs) bands (ev): -9.5521 -9.5520 -8.5841 -8.5839 -8.5129 -8.5125 -8.4414 -8.4410 -7.0694 -7.0691 -6.9627 -6.9625 -2.0390 -2.0309 -1.8826 -1.8445 -1.6848 -1.6523 0.0663 0.1161 0.3236 0.3971 0.6545 0.7065 0.8059 0.8191 1.0219 1.1056 1.2980 1.3320 1.6810 1.7685 2.0116 2.0595 2.1092 2.1836 2.9187 2.9971 3.1584 3.2538 3.4485 3.4921 3.6855 3.7123 3.8395 3.9117 4.9276 4.9305 6.7160 6.7209 7.2685 7.3052 7.4175 7.4426 7.8926 7.9259 8.2828 8.2852 k = 0.1379-0.0800-0.0480 ( 4361 PWs) bands (ev): -9.5436 -9.5435 -8.5938 -8.5936 -8.5142 -8.5137 -8.4396 -8.4392 -7.0776 -7.0774 -6.9622 -6.9620 -2.0317 -2.0228 -1.8874 -1.8496 -1.6642 -1.6324 0.0571 0.1098 0.3110 0.3902 0.6576 0.7096 0.8264 0.8450 1.0386 1.1284 1.3258 1.3684 1.6720 1.7652 2.0126 2.0543 2.1302 2.2168 2.8717 2.9448 3.1331 3.2182 3.4135 3.4562 3.6640 3.6888 3.8257 3.8957 4.9264 4.9292 6.7705 6.7771 7.2473 7.2816 7.4559 7.4782 7.9237 7.9564 8.2895 8.2923 k = 0.1552-0.0899-0.0540 ( 4364 PWs) bands (ev): -9.5341 -9.5340 -8.6050 -8.6048 -8.5147 -8.5143 -8.4381 -8.4377 -7.0863 -7.0861 -6.9619 -6.9616 -2.0238 -2.0143 -1.8905 -1.8534 -1.6428 -1.6118 0.0466 0.1007 0.3026 0.3862 0.6576 0.7081 0.8546 0.8794 1.0530 1.1475 1.3497 1.4018 1.6707 1.7704 2.0101 2.0492 2.1556 2.2509 2.8222 2.8883 3.1018 3.1718 3.3817 3.4187 3.6409 3.6692 3.8114 3.8797 4.9251 4.9279 6.8251 6.8336 7.2209 7.2536 7.5011 7.5235 7.9512 7.9831 8.2980 8.3014 k = 0.1724-0.0999-0.0600 ( 4364 PWs) bands (ev): -9.5236 -9.5235 -8.6175 -8.6173 -8.5147 -8.5142 -8.4370 -8.4366 -7.0954 -7.0951 -6.9618 -6.9616 -2.0155 -2.0057 -1.8920 -1.8559 -1.6207 -1.5905 0.0351 0.0893 0.2979 0.3847 0.6572 0.7066 0.8870 0.9182 1.0636 1.1608 1.3710 1.4318 1.6781 1.7838 2.0060 2.0445 2.1837 2.2853 2.7712 2.8290 3.0631 3.1156 3.3531 3.3829 3.6182 3.6516 3.7962 3.8639 4.9237 4.9264 6.8774 6.8883 7.1944 7.2262 7.5481 7.5717 7.9750 8.0057 8.3087 8.3130 k = 0.1897-0.1099-0.0660 ( 4365 PWs) bands (ev): -9.5122 -9.5120 -8.6311 -8.6308 -8.5141 -8.5136 -8.4363 -8.4358 -7.1048 -7.1045 -6.9620 -6.9618 -2.0070 -1.9972 -1.8917 -1.8572 -1.5978 -1.5685 0.0230 0.0766 0.2963 0.3850 0.6578 0.7069 0.9208 0.9585 1.0695 1.1676 1.3923 1.4587 1.6936 1.8036 2.0015 2.0406 2.2133 2.3196 2.7202 2.7683 3.0166 3.0527 3.3264 3.3519 3.5965 3.6350 3.7799 3.8480 4.9221 4.9247 6.9247 6.9385 7.1707 7.2021 7.5944 7.6193 7.9945 8.0240 8.3218 8.3272 k = 0.2069-0.1199-0.0720 ( 4368 PWs) bands (ev): -9.4999 -9.4997 -8.6456 -8.6454 -8.5132 -8.5126 -8.4358 -8.4353 -7.1143 -7.1141 -6.9625 -6.9622 -1.9984 -1.9889 -1.8896 -1.8571 -1.5742 -1.5458 0.0107 0.0632 0.2971 0.3867 0.6601 0.7093 0.9534 0.9965 1.0726 1.1697 1.4151 1.4842 1.7150 1.8266 1.9978 2.0380 2.2433 2.3530 2.6709 2.7079 2.9628 2.9870 3.3008 3.3266 3.5760 3.6186 3.7624 3.8319 4.9204 4.9229 6.9630 6.9804 7.1529 7.1841 7.6386 7.6645 8.0095 8.0376 8.3375 8.3443 k = 0.2241-0.1299-0.0780 ( 4373 PWs) bands (ev): -9.4867 -9.4866 -8.6610 -8.6608 -8.5120 -8.5114 -8.4357 -8.4352 -7.1239 -7.1237 -6.9631 -6.9629 -1.9900 -1.9808 -1.8859 -1.8559 -1.5500 -1.5226 -0.0015 0.0500 0.2998 0.3894 0.6636 0.7134 0.9808 1.0238 1.0814 1.1719 1.4398 1.5098 1.7389 1.8488 1.9959 2.0372 2.2729 2.3841 2.6255 2.6498 2.9023 2.9228 3.2770 3.3056 3.5563 3.6022 3.7438 3.8154 4.9184 4.9208 6.9876 7.0080 7.1458 7.1758 7.6795 7.7061 8.0194 8.0464 8.3560 8.3641 k = 0.2414-0.1399-0.0840 ( 4374 PWs) bands (ev): -9.4729 -9.4727 -8.6771 -8.6768 -8.5106 -8.5100 -8.4358 -8.4353 -7.1335 -7.1333 -6.9640 -6.9637 -1.9818 -1.9730 -1.8808 -1.8536 -1.5252 -1.4988 -0.0132 0.0375 0.3038 0.3930 0.6677 0.7184 0.9974 1.0312 1.1069 1.1806 1.4661 1.5362 1.7620 1.8663 1.9961 2.0383 2.3006 2.4104 2.5851 2.5982 2.8383 2.8630 3.2555 3.2874 3.5374 3.5858 3.7244 3.7982 4.9161 4.9185 6.9955 7.0166 7.1529 7.1796 7.7167 7.7435 8.0243 8.0505 8.3767 8.3857 k = 0.2586-0.1499-0.0900 ( 4380 PWs) bands (ev): -9.4584 -9.4582 -8.6938 -8.6935 -8.5090 -8.5084 -8.4362 -8.4356 -7.1430 -7.1428 -6.9650 -6.9647 -1.9741 -1.9654 -1.8747 -1.8504 -1.4999 -1.4746 -0.0242 0.0261 0.3089 0.3973 0.6707 0.7227 0.9994 1.0312 1.1403 1.2000 1.4934 1.5632 1.7817 1.8768 1.9971 2.0407 2.3250 2.4275 2.5452 2.5647 2.7771 2.8083 3.2366 3.2714 3.5191 3.5693 3.7041 3.7805 4.9135 4.9160 6.9897 7.0099 7.1688 7.1917 7.7498 7.7765 8.0247 8.0504 8.3986 8.4078 k = 0.2759-0.1599-0.0960 ( 4384 PWs) bands (ev): -9.4433 -9.4431 -8.7109 -8.7106 -8.5073 -8.5067 -8.4367 -8.4362 -7.1523 -7.1521 -6.9661 -6.9659 -1.9669 -1.9578 -1.8678 -1.8464 -1.4742 -1.4501 -0.0340 0.0160 0.3148 0.4025 0.6712 0.7244 0.9930 1.0306 1.1745 1.2281 1.5209 1.5901 1.7965 1.8809 1.9957 2.0421 2.3447 2.4296 2.5151 2.5460 2.7257 2.7613 3.2202 3.2573 3.5015 3.5528 3.6832 3.7620 4.9106 4.9132 6.9764 6.9954 7.1849 7.2051 7.7790 7.8052 8.0213 8.0468 8.4195 8.4277 k = 0.2931-0.1699-0.1020 ( 4380 PWs) bands (ev): -9.4277 -9.4276 -8.7283 -8.7281 -8.5056 -8.5050 -8.4374 -8.4369 -7.1613 -7.1611 -6.9674 -6.9672 -1.9601 -1.9503 -1.8606 -1.8419 -1.4483 -1.4254 -0.0426 0.0073 0.3214 0.4086 0.6677 0.7216 0.9872 1.0309 1.2076 1.2600 1.5476 1.6159 1.8060 1.8808 1.9888 2.0383 2.3586 2.4170 2.5020 2.5297 2.6911 2.7274 3.2064 3.2454 3.4845 3.5363 3.6619 3.7429 4.9074 4.9101 6.9601 6.9780 7.1960 7.2147 7.8045 7.8299 8.0152 8.0406 8.4354 8.4420 k = 0.3103-0.1799-0.1080 ( 4388 PWs) bands (ev): -9.4119 -9.4117 -8.7460 -8.7457 -8.5038 -8.5032 -8.4382 -8.4377 -7.1699 -7.1697 -6.9687 -6.9685 -1.9536 -1.9430 -1.8533 -1.8370 -1.4225 -1.4008 -0.0499 0.0001 0.3284 0.4155 0.6596 0.7132 0.9866 1.0339 1.2386 1.2918 1.5720 1.6395 1.8111 1.8789 1.9753 2.0264 2.3642 2.4017 2.4933 2.5148 2.6739 2.7138 3.1954 3.2360 3.4684 3.5198 3.6403 3.7232 4.9039 4.9068 6.9430 6.9597 7.1999 7.2176 7.8266 7.8509 8.0074 8.0326 8.4397 8.4467 k = 0.3276-0.1899-0.1140 ( 4390 PWs) bands (ev): -9.3959 -9.3957 -8.7636 -8.7634 -8.5021 -8.5015 -8.4391 -8.4386 -7.1780 -7.1778 -6.9701 -6.9699 -1.9473 -1.9360 -1.8464 -1.8320 -1.3970 -1.3766 -0.0557 -0.0058 0.3353 0.4231 0.6471 0.6998 0.9921 1.0408 1.2665 1.3213 1.5921 1.6593 1.8133 1.8770 1.9564 2.0067 2.3569 2.3877 2.4801 2.5136 2.6698 2.7195 3.1874 3.2294 3.4531 3.5036 3.6188 3.7030 4.9002 4.9032 6.9262 6.9417 7.1962 7.2130 7.8456 7.8686 7.9992 8.0241 8.4288 8.4385 k = 0.3448-0.1999-0.1200 ( 4390 PWs) bands (ev): -9.3800 -9.3798 -8.7811 -8.7808 -8.5004 -8.4998 -8.4401 -8.4395 -7.1857 -7.1855 -6.9714 -6.9712 -1.9412 -1.9293 -1.8398 -1.8269 -1.3720 -1.3530 -0.0600 -0.0106 0.3419 0.4309 0.6314 0.6832 1.0030 1.0511 1.2909 1.3476 1.6051 1.6736 1.8142 1.8759 1.9356 1.9830 2.3398 2.3656 2.4808 2.5185 2.6777 2.7353 3.1827 3.2261 3.4389 3.4878 3.5975 3.6824 4.8963 4.8994 6.9103 6.9247 7.1852 7.2011 7.8619 7.8833 7.9914 8.0155 8.4055 8.4177 k = 0.3621-0.2099-0.1260 ( 4388 PWs) bands (ev): -9.3643 -9.3641 -8.7982 -8.7979 -8.4987 -8.4982 -8.4410 -8.4405 -7.1927 -7.1925 -6.9727 -6.9726 -1.9352 -1.9232 -1.8338 -1.8222 -1.3479 -1.3304 -0.0628 -0.0144 0.3477 0.4383 0.6141 0.6659 1.0174 1.0636 1.3115 1.3703 1.6085 1.6802 1.8150 1.8748 1.9182 1.9607 2.3167 2.3391 2.4925 2.5267 2.6947 2.7545 3.1815 3.2259 3.4258 3.4723 3.5771 3.6617 4.8923 4.8954 6.8957 6.9089 7.1680 7.1829 7.8757 7.8954 7.9846 8.0077 8.3755 8.3888 k = 0.3793-0.2199-0.1320 ( 4385 PWs) bands (ev): -9.3491 -9.3489 -8.8146 -8.8144 -8.4972 -8.4967 -8.4419 -8.4414 -7.1990 -7.1988 -6.9740 -6.9738 -1.9294 -1.9176 -1.8283 -1.8178 -1.3250 -1.3092 -0.0643 -0.0176 0.3524 0.4439 0.5976 0.6503 1.0337 1.0771 1.3283 1.3895 1.6015 1.6769 1.8156 1.8709 1.9101 1.9451 2.2904 2.3158 2.5067 2.5368 2.7172 2.7745 3.1839 3.2287 3.4140 3.4573 3.5580 3.6409 4.8883 4.8914 6.8827 6.8947 7.1463 7.1601 7.8873 7.9051 7.9791 8.0007 8.3426 8.3559 k = 0.3966-0.2299-0.1380 ( 4388 PWs) bands (ev): -9.3347 -9.3345 -8.8301 -8.8298 -8.4958 -8.4953 -8.4428 -8.4424 -7.2046 -7.2045 -6.9751 -6.9750 -1.9239 -1.9127 -1.8235 -1.8140 -1.3039 -1.2898 -0.0644 -0.0206 0.3560 0.4460 0.5844 0.6375 1.0503 1.0900 1.3419 1.4058 1.5856 1.6635 1.8155 1.8635 1.9117 1.9390 2.2658 2.2964 2.5192 2.5468 2.7422 2.7937 3.1897 3.2339 3.4036 3.4426 3.5410 3.6204 4.8845 4.8875 6.8714 6.8823 7.1220 7.1346 7.8969 7.9126 7.9750 7.9947 8.3092 8.3217 k = 0.4138-0.2399-0.1440 ( 4385 PWs) bands (ev): -9.3214 -9.3213 -8.8442 -8.8440 -8.4945 -8.4941 -8.4436 -8.4432 -7.2094 -7.2093 -6.9761 -6.9760 -1.9188 -1.9086 -1.8193 -1.8109 -1.2848 -1.2727 -0.0633 -0.0236 0.3589 0.4429 0.5771 0.6278 1.0661 1.1014 1.3533 1.4194 1.5640 1.6424 1.8155 1.8552 1.9186 1.9408 2.2463 2.2804 2.5288 2.5547 2.7676 2.8114 3.1985 3.2406 3.3944 3.4283 3.5269 3.6004 4.8810 4.8837 6.8622 6.8718 7.0972 7.1083 7.9047 7.9182 7.9725 7.9897 8.2770 8.2881 k = 0.4310-0.2499-0.1500 ( 4389 PWs) bands (ev): -9.3098 -9.3096 -8.8566 -8.8564 -8.4934 -8.4931 -8.4443 -8.4440 -7.2134 -7.2133 -6.9770 -6.9769 -1.9141 -1.9054 -1.8156 -1.8085 -1.2682 -1.2583 -0.0611 -0.0269 0.3615 0.4345 0.5761 0.6208 1.0804 1.1102 1.3634 1.4303 1.5409 1.6173 1.8161 1.8476 1.9272 1.9458 2.2330 2.2675 2.5358 2.5596 2.7916 2.8268 3.2096 3.2477 3.3864 3.4143 3.5168 3.5813 4.8780 4.8803 6.8550 6.8633 7.0738 7.0832 7.9111 7.9221 7.9713 7.9855 8.2479 8.2571 k = 0.4483-0.2598-0.1560 ( 4389 PWs) bands (ev): -9.3000 -9.2999 -8.8669 -8.8667 -8.4926 -8.4923 -8.4449 -8.4446 -7.2166 -7.2165 -6.9777 -6.9776 -1.9101 -1.9031 -1.8125 -1.8069 -1.2545 -1.2469 -0.0579 -0.0307 0.3649 0.4226 0.5800 0.6156 1.0927 1.1161 1.3734 1.4369 1.5214 1.5915 1.8177 1.8413 1.9357 1.9506 2.2260 2.2569 2.5411 2.5612 2.8127 2.8391 3.2222 3.2541 3.3797 3.4008 3.5113 3.5635 4.8755 4.8773 6.8501 6.8567 7.0535 7.0611 7.9162 7.9247 7.9711 7.9821 8.2233 8.2304 k = 0.4655-0.2698-0.1620 ( 4389 PWs) bands (ev): -9.2927 -9.2926 -8.8746 -8.8745 -8.4919 -8.4917 -8.4453 -8.4451 -7.2188 -7.2188 -6.9782 -6.9781 -1.9067 -1.9019 -1.8100 -1.8061 -1.2440 -1.2389 -0.0540 -0.0350 0.3696 0.4094 0.5865 0.6110 1.1028 1.1190 1.3843 1.4354 1.5118 1.5672 1.8203 1.8359 1.9427 1.9534 2.2247 2.2480 2.5455 2.5602 2.8298 2.8474 3.2350 3.2583 3.3746 3.3886 3.5106 3.5474 4.8737 4.8750 6.8472 6.8518 7.0382 7.0436 7.9203 7.9260 7.9719 7.9793 8.2051 8.2099 k = 0.4828-0.2798-0.1681 ( 4393 PWs) bands (ev): -9.2882 -9.2881 -8.8794 -8.8793 -8.4915 -8.4914 -8.4455 -8.4454 -7.2202 -7.2202 -6.9785 -6.9784 -1.9041 -1.9016 -1.8080 -1.8061 -1.2371 -1.2345 -0.0495 -0.0398 0.3764 0.3966 0.5937 0.6062 1.1106 1.1189 1.3967 1.4251 1.5152 1.5456 1.8235 1.8313 1.9482 1.9537 2.2277 2.2402 2.5496 2.5573 2.8422 2.8510 3.2465 3.2589 3.3722 3.3791 3.5145 3.5335 4.8728 4.8734 6.8461 6.8485 7.0290 7.0318 7.9233 7.9262 7.9732 7.9770 8.1941 8.1965 k = 0.5000-0.2898-0.1741 ( 4390 PWs) bands (ev): -9.2866 -9.2866 -8.8810 -8.8810 -8.4913 -8.4913 -8.4455 -8.4455 -7.2207 -7.2207 -6.9786 -6.9786 -1.9024 -1.9024 -1.8067 -1.8067 -1.2339 -1.2339 -0.0447 -0.0447 0.3855 0.3855 0.6004 0.6004 1.1160 1.1160 1.4108 1.4108 1.5277 1.5277 1.8272 1.8272 1.9519 1.9519 2.2332 2.2332 2.5536 2.5536 2.8493 2.8493 3.2549 3.2549 3.3735 3.3735 3.5223 3.5223 4.8727 4.8727 6.8466 6.8466 7.0268 7.0268 7.9253 7.9253 7.9749 7.9749 8.1912 8.1912 k = 0.5000-0.2898 0.3636 ( 4390 PWs) bands (ev): -9.0906 -9.0906 -8.8606 -8.8606 -8.7543 -8.7543 -8.4774 -8.4774 -7.1372 -7.1372 -7.0637 -7.0637 -1.6460 -1.6460 -1.1080 -1.1080 -1.0293 -1.0293 -0.5126 -0.5126 -0.0454 -0.0454 0.5137 0.5137 1.0168 1.0168 1.1136 1.1136 1.4161 1.4161 1.7590 1.7590 1.9546 1.9546 2.1334 2.1334 2.6281 2.6281 2.7465 2.7465 3.1561 3.1561 3.5697 3.5697 3.9492 3.9492 4.2199 4.2199 7.1038 7.1038 7.5256 7.5256 8.0447 8.0447 8.1601 8.1601 8.4140 8.4140 k = 0.4844-0.2808 0.3523 ( 4384 PWs) bands (ev): -9.0941 -9.0940 -8.8575 -8.8574 -8.7538 -8.7538 -8.4773 -8.4773 -7.1371 -7.1371 -7.0633 -7.0633 -1.6476 -1.6461 -1.1166 -1.1130 -1.0341 -1.0306 -0.5090 -0.5030 -0.0495 -0.0367 0.5111 0.5203 1.0119 1.0195 1.1063 1.1203 1.4119 1.4190 1.7569 1.7647 1.9493 1.9586 2.1287 2.1399 2.6132 2.6367 2.7381 2.7605 3.1554 3.1587 3.5650 3.5724 3.9396 3.9524 4.2187 4.2290 7.1077 7.1102 7.5254 7.5265 8.0099 8.0218 8.1792 8.1885 8.4139 8.4180 k = 0.4688-0.2717 0.3409 ( 4383 PWs) bands (ev): -9.1041 -9.1038 -8.8485 -8.8483 -8.7526 -8.7526 -8.4770 -8.4770 -7.1368 -7.1367 -7.0622 -7.0621 -1.6511 -1.6481 -1.1379 -1.1315 -1.0437 -1.0375 -0.4932 -0.4815 -0.0491 -0.0236 0.5124 0.5307 1.0053 1.0192 1.0989 1.1259 1.4065 1.4202 1.7583 1.7738 1.9430 1.9612 2.1257 2.1478 2.5954 2.6359 2.7386 2.7769 3.1564 3.1629 3.5586 3.5733 3.9248 3.9490 4.2257 4.2448 7.1213 7.1264 7.5256 7.5279 7.9515 7.9668 8.2185 8.2289 8.4194 8.4266 k = 0.4531-0.2627 0.3295 ( 4386 PWs) bands (ev): -9.1190 -9.1187 -8.8350 -8.8347 -8.7504 -8.7504 -8.4766 -8.4766 -7.1362 -7.1361 -7.0603 -7.0602 -1.6564 -1.6519 -1.1700 -1.1620 -1.0569 -1.0489 -0.4682 -0.4514 -0.0437 -0.0060 0.5174 0.5446 0.9973 1.0151 1.0924 1.1305 1.4001 1.4195 1.7627 1.7859 1.9362 1.9627 2.1241 2.1568 2.5766 2.6265 2.7474 2.7939 3.1589 3.1686 3.5509 3.5726 3.9065 3.9400 4.2400 4.2657 7.1442 7.1518 7.5263 7.5298 7.8874 7.9038 8.2502 8.2599 8.4337 8.4419 k = 0.4375-0.2536 0.3182 ( 4382 PWs) bands (ev): -9.1376 -9.1372 -8.8185 -8.8181 -8.7474 -8.7473 -8.4760 -8.4760 -7.1354 -7.1352 -7.0578 -7.0576 -1.6633 -1.6573 -1.2103 -1.2016 -1.0729 -1.0638 -0.4375 -0.4163 -0.0332 0.0161 0.5256 0.5617 0.9883 1.0067 1.0871 1.1343 1.3931 1.4171 1.7692 1.8002 1.9302 1.9640 2.1236 2.1661 2.5581 2.6125 2.7612 2.8108 3.1625 3.1751 3.5422 3.5707 3.8862 3.9271 4.2603 4.2905 7.1760 7.1859 7.5277 7.5326 7.8224 7.8388 8.2659 8.2752 8.4577 8.4649 k = 0.4219-0.2445 0.3068 ( 4383 PWs) bands (ev): -9.1585 -9.1582 -8.8003 -8.7999 -8.7433 -8.7433 -8.4753 -8.4753 -7.1343 -7.1341 -7.0546 -7.0544 -1.6718 -1.6643 -1.2563 -1.2472 -1.0918 -1.0819 -0.4042 -0.3791 -0.0172 0.0428 0.5367 0.5812 0.9781 0.9943 1.0831 1.1371 1.3859 1.4134 1.7757 1.8146 1.9274 1.9667 2.1231 2.1747 2.5411 2.5975 2.7771 2.8270 3.1665 3.1819 3.5336 3.5680 3.8653 3.9121 4.2850 4.3182 7.2153 7.2273 7.5297 7.5364 7.7587 7.7743 8.2653 8.2762 8.4856 8.4932 k = 0.4062-0.2355 0.2954 ( 4378 PWs) bands (ev): -9.1810 -9.1807 -8.7815 -8.7811 -8.7381 -8.7380 -8.4744 -8.4744 -7.1329 -7.1327 -7.0508 -7.0506 -1.6817 -1.6726 -1.3056 -1.2964 -1.1135 -1.1027 -0.3705 -0.3424 0.0044 0.0738 0.5500 0.6026 0.9667 0.9788 1.0796 1.1387 1.3791 1.4095 1.7795 1.8252 1.9312 1.9736 2.1218 2.1815 2.5264 2.5837 2.7938 2.8423 3.1702 3.1885 3.5258 3.5654 3.8448 3.8963 4.3131 4.3480 7.2600 7.2740 7.5318 7.5417 7.6984 7.7125 8.2527 8.2663 8.5110 8.5214 k = 0.3906-0.2264 0.2841 ( 4376 PWs) bands (ev): -9.2045 -9.2041 -8.7633 -8.7629 -8.7311 -8.7310 -8.4734 -8.4733 -7.1312 -7.1310 -7.0464 -7.0463 -1.6927 -1.6821 -1.3568 -1.3476 -1.1375 -1.1262 -0.3378 -0.3076 0.0312 0.1087 0.5652 0.6252 0.9539 0.9615 1.0759 1.1383 1.3735 1.4066 1.7782 1.8283 1.9447 1.9870 2.1191 2.1853 2.5152 2.5721 2.8108 2.8567 3.1727 3.1942 3.5201 3.5637 3.8258 3.8809 4.3436 4.3794 7.3068 7.3221 7.5306 7.5475 7.6454 7.6596 8.2319 8.2481 8.5306 8.5444 k = 0.3750-0.2174 0.2727 ( 4378 PWs) bands (ev): -9.2284 -9.2280 -8.7472 -8.7469 -8.7212 -8.7210 -8.4722 -8.4722 -7.1293 -7.1290 -7.0417 -7.0415 -1.7048 -1.6925 -1.4086 -1.3994 -1.1637 -1.1518 -0.3069 -0.2755 0.0626 0.1467 0.5819 0.6482 0.9375 0.9453 1.0714 1.1352 1.3701 1.4058 1.7715 1.8236 1.9663 2.0069 2.1158 2.1857 2.5079 2.5633 2.8280 2.8701 3.1735 3.1988 3.5172 3.5640 3.8089 3.8666 4.3758 4.4119 7.3505 7.3663 7.5145 7.5409 7.6139 7.6349 8.2049 8.2232 8.5426 8.5595 k = 0.3594-0.2083 0.2613 ( 4375 PWs) bands (ev): -9.2525 -9.2521 -8.7348 -8.7345 -8.7073 -8.7071 -8.4710 -8.4709 -7.1269 -7.1267 -7.0366 -7.0364 -1.7178 -1.7038 -1.4603 -1.4509 -1.1918 -1.1794 -0.2779 -0.2461 0.0973 0.1867 0.5998 0.6711 0.9175 0.9313 1.0657 1.1288 1.3692 1.4075 1.7607 1.8132 1.9906 2.0295 2.1160 2.1834 2.5044 2.5568 2.8456 2.8828 3.1726 3.2020 3.5177 3.5669 3.7947 3.8540 4.4094 4.4451 7.3841 7.3992 7.4787 7.5020 7.6287 7.6509 8.1733 8.1931 8.5461 8.5652 k = 0.3438-0.1993 0.2500 ( 4375 PWs) bands (ev): -9.2764 -9.2761 -8.7250 -8.7248 -8.6907 -8.6905 -8.4696 -8.4695 -7.1243 -7.1240 -7.0312 -7.0310 -1.7313 -1.7157 -1.5110 -1.5016 -1.2214 -1.2085 -0.2508 -0.2191 0.1337 0.2273 0.6188 0.6928 0.8967 0.9184 1.0584 1.1190 1.3710 1.4113 1.7477 1.7996 2.0083 2.0496 2.1280 2.1812 2.5039 2.5517 2.8641 2.8953 3.1709 3.2042 3.5219 3.5731 3.7834 3.8434 4.4437 4.4788 7.3939 7.4105 7.4460 7.4578 7.6715 7.6948 8.1383 8.1593 8.5404 8.5604 k = 0.3281-0.1902 0.2386 ( 4380 PWs) bands (ev): -9.3002 -9.2998 -8.7162 -8.7160 -8.6732 -8.6730 -8.4681 -8.4679 -7.1213 -7.1210 -7.0256 -7.0254 -1.7454 -1.7279 -1.5603 -1.5508 -1.2521 -1.2387 -0.2253 -0.1939 0.1702 0.2670 0.6387 0.7119 0.8770 0.9072 1.0495 1.1062 1.3746 1.4161 1.7339 1.7841 2.0105 2.0659 2.1547 2.1848 2.5048 2.5472 2.8841 2.9083 3.1695 3.2058 3.5296 3.5827 3.7751 3.8350 4.4784 4.5125 7.3603 7.3824 7.4361 7.4485 7.7280 7.7530 8.1016 8.1235 8.5263 8.5456 k = 0.3125-0.1811 0.2273 ( 4378 PWs) bands (ev): -9.3235 -9.3231 -8.7076 -8.7074 -8.6558 -8.6556 -8.4665 -8.4663 -7.1181 -7.1178 -7.0199 -7.0197 -1.7597 -1.7403 -1.6079 -1.5981 -1.2837 -1.2697 -0.2009 -0.1699 0.2051 0.3042 0.6589 0.7262 0.8607 0.8994 1.0394 1.0914 1.3787 1.4202 1.7201 1.7675 2.0016 2.0754 2.1853 2.2027 2.5058 2.5432 2.9059 2.9231 3.1701 3.2079 3.5402 3.5953 3.7696 3.8290 4.5132 4.5459 7.3135 7.3338 7.4365 7.4492 7.7878 7.8137 8.0661 8.0888 8.5062 8.5241 k = 0.2969-0.1721 0.2159 ( 4383 PWs) bands (ev): -9.3462 -9.3459 -8.6988 -8.6986 -8.6391 -8.6389 -8.4648 -8.4647 -7.1145 -7.1142 -7.0142 -7.0140 -1.7743 -1.7528 -1.6533 -1.6432 -1.3158 -1.3013 -0.1774 -0.1466 0.2369 0.3374 0.6776 0.7324 0.8511 0.8980 1.0286 1.0754 1.3816 1.4225 1.7061 1.7496 1.9900 2.0777 2.2087 2.2367 2.5068 2.5411 2.9295 2.9411 3.1736 3.2112 3.5531 3.6103 3.7665 3.8254 4.5476 4.5787 7.2660 7.2842 7.4343 7.4470 7.8379 7.8631 8.0372 8.0627 8.4841 8.5008 k = 0.2812-0.1630 0.2045 ( 4379 PWs) bands (ev): -9.3683 -9.3680 -8.6898 -8.6896 -8.6231 -8.6229 -8.4632 -8.4630 -7.1106 -7.1103 -7.0085 -7.0084 -1.7891 -1.7653 -1.6962 -1.6856 -1.3483 -1.3330 -0.1544 -0.1236 0.2642 0.3656 0.6902 0.7310 0.8507 0.9053 1.0181 1.0595 1.3816 1.4221 1.6911 1.7301 1.9807 2.0776 2.2264 2.2712 2.5103 2.5441 2.9540 2.9645 3.1807 3.2167 3.5678 3.6270 3.7656 3.8241 4.5812 4.6106 7.2200 7.2363 7.4290 7.4416 7.8583 7.8850 8.0239 8.0580 8.4644 8.4811 k = 0.2656-0.1540 0.1932 ( 4376 PWs) bands (ev): -9.3896 -9.3893 -8.6806 -8.6804 -8.6081 -8.6079 -8.4615 -8.4613 -7.1064 -7.1061 -7.0030 -7.0029 -1.8042 -1.7782 -1.7360 -1.7248 -1.3808 -1.3646 -0.1316 -0.1005 0.2861 0.3881 0.6889 0.7289 0.8601 0.9205 1.0088 1.0451 1.3777 1.4190 1.6737 1.7082 1.9763 2.0794 2.2339 2.2967 2.5211 2.5564 2.9788 2.9935 3.1918 3.2249 3.5836 3.6447 3.7666 3.8251 4.6138 4.6412 7.1759 7.1905 7.4207 7.4336 7.8420 7.8721 8.0299 8.0704 8.4511 8.4697 k = 0.2500-0.1449 0.1818 ( 4377 PWs) bands (ev): -9.4101 -9.4098 -8.6711 -8.6710 -8.5941 -8.5940 -8.4598 -8.4595 -7.1020 -7.1017 -6.9978 -6.9976 -1.8204 -1.7935 -1.7704 -1.7597 -1.4132 -1.3960 -0.1090 -0.0770 0.3019 0.4048 0.6750 0.7278 0.8773 0.9391 1.0019 1.0353 1.3702 1.4137 1.6530 1.6839 1.9774 2.0843 2.2285 2.3081 2.5438 2.5809 3.0048 3.0266 3.2068 3.2364 3.6000 3.6630 3.7689 3.8285 4.6451 4.6703 7.1336 7.1468 7.4097 7.4231 7.8058 7.8371 8.0371 8.0777 8.4449 8.4675 k = 0.2344-0.1359 0.1704 ( 4369 PWs) bands (ev): -9.4297 -9.4294 -8.6615 -8.6613 -8.5812 -8.5810 -8.4581 -8.4579 -7.0973 -7.0970 -6.9928 -6.9926 -1.8391 -1.8182 -1.7946 -1.7861 -1.4452 -1.4270 -0.0863 -0.0531 0.3117 0.4157 0.6567 0.7240 0.8951 0.9563 0.9976 1.0360 1.3600 1.4072 1.6287 1.6577 1.9829 2.0916 2.2123 2.3057 2.5784 2.6169 3.0313 3.0625 3.2253 3.2518 3.6165 3.6813 3.7723 3.8340 4.6748 4.6977 7.0928 7.1050 7.3966 7.4109 7.7615 7.7930 8.0320 8.0700 8.4430 8.4702 k = 0.2188-0.1268 0.1591 ( 4368 PWs) bands (ev): -9.4483 -9.4480 -8.6518 -8.6516 -8.5693 -8.5691 -8.4566 -8.4563 -7.0925 -7.0922 -6.9882 -6.9880 -1.8621 -1.8483 -1.8144 -1.8002 -1.4767 -1.4573 -0.0635 -0.0286 0.3158 0.4213 0.6386 0.7179 0.9040 0.9667 1.0014 1.0492 1.3487 1.4010 1.6017 1.6301 1.9906 2.0981 2.1911 2.2945 2.6212 2.6616 3.0574 3.0998 3.2468 3.2722 3.6330 3.6993 3.7765 3.8416 4.7028 4.7232 7.0529 7.0645 7.3819 7.3974 7.7134 7.7448 8.0145 8.0497 8.4413 8.4717 k = 0.2031-0.1177 0.1477 ( 4370 PWs) bands (ev): -9.4658 -9.4655 -8.6420 -8.6418 -8.5585 -8.5583 -8.4551 -8.4549 -7.0875 -7.0872 -6.9840 -6.9838 -1.8879 -1.8776 -1.8294 -1.8096 -1.5075 -1.4869 -0.0408 -0.0037 0.3154 0.4219 0.6227 0.7105 0.9027 0.9636 1.0215 1.0671 1.3377 1.3972 1.5741 1.6022 1.9974 2.0978 2.1732 2.2801 2.6683 2.7116 3.0820 3.1370 3.2712 3.2979 3.6491 3.7170 3.7813 3.8510 4.7289 4.7468 7.0130 7.0243 7.3667 7.3837 7.6632 7.6943 7.9892 8.0222 8.4376 8.4694 k = 0.1875-0.1087 0.1364 ( 4367 PWs) bands (ev): -9.4822 -9.4820 -8.6323 -8.6321 -8.5487 -8.5485 -8.4539 -8.4536 -7.0823 -7.0820 -6.9802 -6.9800 -1.9139 -1.9049 -1.8406 -1.8169 -1.5375 -1.5156 -0.0184 0.0216 0.3116 0.4183 0.6101 0.7024 0.8962 0.9554 1.0443 1.0818 1.3284 1.3971 1.5490 1.5761 2.0006 2.0849 2.1664 2.2666 2.7172 2.7646 3.1045 3.1719 3.2993 3.3284 3.6646 3.7343 3.7866 3.8621 4.7532 4.7685 6.9719 6.9834 7.3523 7.3713 7.6119 7.6426 7.9604 7.9918 8.4318 8.4637 k = 0.1719-0.0996 0.1250 ( 4365 PWs) bands (ev): -9.4975 -9.4973 -8.6227 -8.6225 -8.5399 -8.5396 -8.4529 -8.4525 -7.0771 -7.0768 -6.9770 -6.9768 -1.9385 -1.9301 -1.8490 -1.8225 -1.5665 -1.5433 0.0033 0.0467 0.3061 0.4119 0.6008 0.6937 0.8884 0.9468 1.0591 1.0899 1.3205 1.3980 1.5314 1.5562 1.9978 2.0636 2.1680 2.2559 2.7662 2.8186 3.1248 3.2027 3.3318 3.3624 3.6794 3.7514 3.7923 3.8745 4.7758 4.7886 6.9286 6.9405 7.3406 7.3615 7.5602 7.5904 7.9310 7.9614 8.4244 8.4558 k = 0.1562-0.0906 0.1136 ( 4367 PWs) bands (ev): -9.5116 -9.5114 -8.6134 -8.6132 -8.5320 -8.5317 -8.4521 -8.4518 -7.0719 -7.0716 -6.9743 -6.9741 -1.9611 -1.9531 -1.8552 -1.8266 -1.5946 -1.5700 0.0239 0.0708 0.3008 0.4046 0.5943 0.6842 0.8811 0.9385 1.0612 1.0909 1.3115 1.3917 1.5267 1.5511 1.9882 2.0416 2.1717 2.2481 2.8142 2.8722 3.1429 3.2286 3.3681 3.3982 3.6932 3.7683 3.7984 3.8880 4.7969 4.8072 6.8822 6.8945 7.3329 7.3560 7.5087 7.5388 7.9029 7.9326 8.4159 8.4460 k = 0.1406-0.0815 0.1023 ( 4362 PWs) bands (ev): -9.5244 -9.5242 -8.6043 -8.6042 -8.5250 -8.5247 -8.4516 -8.4513 -7.0667 -7.0664 -6.9721 -6.9719 -1.9814 -1.9738 -1.8594 -1.8291 -1.6215 -1.5957 0.0427 0.0926 0.2978 0.3984 0.5899 0.6738 0.8752 0.9305 1.0520 1.0850 1.2970 1.3720 1.5369 1.5678 1.9732 2.0224 2.1745 2.2414 2.8605 2.9242 3.1590 3.2501 3.4062 3.4343 3.7059 3.7844 3.8058 3.9023 4.8167 4.8249 6.8327 6.8450 7.3301 7.3557 7.4588 7.4896 7.8764 7.9058 8.4061 8.4343 k = 0.1250-0.0725 0.0909 ( 4361 PWs) bands (ev): -9.5360 -9.5358 -8.5957 -8.5956 -8.5187 -8.5184 -8.4515 -8.4511 -7.0616 -7.0614 -6.9704 -6.9702 -1.9994 -1.9924 -1.8616 -1.8299 -1.6473 -1.6201 0.0590 0.1103 0.2996 0.3953 0.5868 0.6623 0.8711 0.9225 1.0360 1.0732 1.2757 1.3415 1.5607 1.6018 1.9558 2.0065 2.1749 2.2339 2.9044 2.9734 3.1735 3.2680 3.4438 3.4692 3.7176 3.7966 3.8178 3.9169 4.8354 4.8418 6.7804 6.7926 7.3304 7.3590 7.4130 7.4468 7.8515 7.8808 8.3943 8.4200 k = 0.1094-0.0634 0.0795 ( 4354 PWs) bands (ev): -9.5463 -9.5462 -8.5877 -8.5876 -8.5132 -8.5128 -8.4516 -8.4513 -7.0568 -7.0565 -6.9691 -6.9689 -2.0151 -2.0087 -1.8618 -1.8290 -1.6718 -1.6434 0.0722 0.1221 0.3084 0.3968 0.5842 0.6497 0.8686 0.9135 1.0172 1.0581 1.2494 1.3056 1.5946 1.6452 1.9386 1.9936 2.1721 2.2239 2.9453 3.0185 3.1870 3.2828 3.4789 3.5014 3.7285 3.8032 3.8362 3.9314 4.8532 4.8583 6.7268 6.7385 7.3248 7.3508 7.3870 7.4217 7.8274 7.8569 8.3798 8.4022 k = 0.0938-0.0543 0.0682 ( 4353 PWs) bands (ev): -9.5553 -9.5551 -8.5804 -8.5802 -8.5083 -8.5079 -8.4521 -8.4518 -7.0522 -7.0520 -6.9683 -6.9681 -2.0286 -2.0228 -1.8601 -1.8266 -1.6950 -1.6655 0.0820 0.1275 0.3250 0.4036 0.5815 0.6359 0.8665 0.9028 0.9991 1.0426 1.2208 1.2676 1.6340 1.6928 1.9231 1.9838 2.1654 2.2105 2.9829 3.0579 3.2002 3.2947 3.5100 3.5298 3.7386 3.8065 3.8579 3.9451 4.8700 4.8746 6.6735 6.6844 7.3012 7.3169 7.3967 7.4255 7.8034 7.8333 8.3619 8.3807 k = 0.0781-0.0453 0.0568 ( 4349 PWs) bands (ev): -9.5629 -9.5628 -8.5739 -8.5737 -8.5040 -8.5036 -8.4529 -8.4526 -7.0481 -7.0479 -6.9679 -6.9677 -2.0398 -2.0348 -1.8565 -1.8225 -1.7166 -1.6863 0.0888 0.1276 0.3483 0.4155 0.5778 0.6211 0.8632 0.8899 0.9849 1.0296 1.1920 1.2300 1.6750 1.7413 1.9104 1.9777 2.1549 2.1932 3.0167 3.0899 3.2143 3.3037 3.5365 3.5536 3.7482 3.8078 3.8810 3.9573 4.8859 4.8902 6.6230 6.6327 7.2690 7.2810 7.4201 7.4481 7.7783 7.8086 8.3413 8.3564 k = 0.0625-0.0362 0.0455 ( 4350 PWs) bands (ev): -9.5692 -9.5691 -8.5683 -8.5682 -8.5003 -8.5000 -8.4539 -8.4536 -7.0444 -7.0442 -6.9677 -6.9676 -2.0488 -2.0447 -1.8510 -1.8171 -1.7366 -1.7058 0.0933 0.1243 0.3762 0.4318 0.5723 0.6054 0.8563 0.8762 0.9769 1.0207 1.1644 1.1946 1.7146 1.7870 1.9020 1.9756 2.1406 2.1721 3.0466 3.1129 3.2303 3.3095 3.5581 3.5724 3.7576 3.8075 3.9039 3.9672 4.9006 4.9047 6.5774 6.5857 7.2388 7.2485 7.4509 7.4793 7.7511 7.7819 8.3196 8.3310 k = 0.0469-0.0272 0.0341 ( 4353 PWs) bands (ev): -9.5740 -9.5740 -8.5638 -8.5637 -8.4973 -8.4970 -8.4549 -8.4547 -7.0414 -7.0413 -6.9677 -6.9676 -2.0556 -2.0525 -1.8437 -1.8107 -1.7545 -1.7238 0.0964 0.1194 0.4065 0.4509 0.5640 0.5889 0.8459 0.8631 0.9761 1.0159 1.1397 1.1630 1.7504 1.8225 1.9031 1.9776 2.1235 2.1479 3.0722 3.1264 3.2481 3.3118 3.5750 3.5860 3.7667 3.8056 3.9252 3.9740 4.9135 4.9171 6.5391 6.5457 7.2139 7.2213 7.4867 7.5155 7.7213 7.7524 8.2992 8.3074 k = 0.0312-0.0181 0.0227 ( 4359 PWs) bands (ev): -9.5775 -9.5775 -8.5605 -8.5605 -8.4949 -8.4947 -8.4558 -8.4556 -7.0391 -7.0390 -6.9678 -6.9678 -2.0603 -2.0582 -1.8348 -1.8050 -1.7685 -1.7403 0.0989 0.1141 0.4370 0.4706 0.5525 0.5718 0.8363 0.8506 0.9818 1.0133 1.1197 1.1368 1.7806 1.8367 1.9224 1.9825 2.1052 2.1226 3.0935 3.1315 3.2661 3.3103 3.5873 3.5949 3.7755 3.8021 3.9439 3.9769 4.9239 4.9266 6.5103 6.5149 7.1958 7.2009 7.5252 7.5542 7.6889 7.7195 8.2829 8.2881 k = 0.0156-0.0091 0.0114 ( 4358 PWs) bands (ev): -9.5796 -9.5796 -8.5585 -8.5585 -8.4934 -8.4933 -8.4565 -8.4564 -7.0377 -7.0376 -6.9679 -6.9679 -2.0629 -2.0618 -1.8245 -1.8052 -1.7735 -1.7550 0.1016 0.1091 0.4650 0.4861 0.5409 0.5545 0.8314 0.8397 0.9914 1.0095 1.1079 1.1176 1.8044 1.8334 1.9522 1.9854 2.0902 2.0999 3.1104 3.1299 3.2823 3.3049 3.5953 3.5992 3.7837 3.7972 3.9589 3.9755 4.9309 4.9324 6.4928 6.4951 7.1852 7.1877 7.5643 7.5911 7.6565 7.6841 8.2726 8.2752 k = 0.0000 0.0000 0.0000 ( 4363 PWs) bands (ev): -9.5803 -9.5803 -8.5578 -8.5578 -8.4928 -8.4928 -8.4567 -8.4567 -7.0372 -7.0372 -6.9679 -6.9679 -2.0634 -2.0634 -1.8137 -1.8137 -1.7670 -1.7670 0.1050 0.1050 0.4851 0.4851 0.5407 0.5407 0.8328 0.8328 1.0018 1.0018 1.1072 1.1072 1.8219 1.8219 1.9765 1.9765 2.0870 2.0870 3.1226 3.1226 3.2955 3.2955 3.5993 3.5993 3.7910 3.7910 3.9695 3.9695 4.9338 4.9338 6.4876 6.4876 7.1824 7.1824 7.5981 7.5981 7.6514 7.6514 8.2699 8.2699 Writing output data file Al2Se3.save init_run : 2.40s CPU 10.42s WALL ( 1 calls) electrons : 547.73s CPU 554.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.78s CPU 2.10s WALL ( 1 calls) Called by electrons: c_bands : 547.69s CPU 553.85s WALL ( 1 calls) v_of_rho : 0.30s CPU 0.89s WALL ( 1 calls) v_h : 0.04s CPU 0.06s WALL ( 1 calls) v_xc : 0.25s CPU 0.63s WALL ( 1 calls) newd : 0.08s CPU 0.33s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.13s WALL ( 249 calls) cegterg : 481.46s CPU 484.30s WALL ( 503 calls) Called by sum_band: Called by *egterg: h_psi : 188.74s CPU 193.71s WALL ( 7982 calls) s_psi : 15.24s CPU 15.52s WALL ( 7982 calls) g_psi : 0.50s CPU 0.58s WALL ( 7230 calls) cdiaghg : 206.76s CPU 205.08s WALL ( 7479 calls) cegterg:over : 45.19s CPU 43.60s WALL ( 7230 calls) cegterg:upda : 11.00s CPU 13.14s WALL ( 7230 calls) cegterg:last : 9.46s CPU 9.95s WALL ( 1368 calls) Called by h_psi: h_psi:vloc : 147.62s CPU 151.25s WALL ( 7982 calls) h_psi:vnl : 40.88s CPU 41.90s WALL ( 7982 calls) add_vuspsi : 11.24s CPU 13.62s WALL ( 7982 calls) General routines calbec : 29.61s CPU 28.20s WALL ( 7982 calls) fft : 0.67s CPU 1.54s WALL ( 19 calls) ffts : 0.09s CPU 0.55s WALL ( 4 calls) fftw : 141.06s CPU 143.40s WALL ( 961320 calls) interpolate : 0.21s CPU 0.68s WALL ( 4 calls) davcio : 0.02s CPU 2.61s WALL ( 498 calls) Parallel routines fft_scatter : 87.40s CPU 90.34s WALL ( 961343 calls) PWSCF : 10m 7.34s CPU 12m 7.37s WALL This run was terminated on: 16:46:15 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=