Program PWSCF v.5.1.1 starts on 18Jul2015 at 0:34:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./Bi4Se3.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 63 63 18 1037 1037 169 Max 64 64 19 1038 1038 171 Sum 2031 2031 599 33209 33209 5431 bravais-lattice index = 14 lattice parameter (alat) = 25.6234 a.u. unit-cell volume = 1420.7630 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 31.0000 Ry charge density cutoff = 124.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 25.623417 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.950415 celldm(5)= 0.950415 celldm(6)= 0.950415 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.950415 0.310984 0.000000 ) a(3) = ( 0.950415 0.151539 0.271564 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -3.056153 -1.794378 ) b(2) = ( 0.000000 3.215598 -1.794378 ) b(3) = ( 0.000000 0.000000 3.682372 ) PseudoPot. # 1 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 2 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Bi 5.00 208.98040 Bi( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 268 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 2) = ( 0.0116279 -0.0355367 -0.0208649), wk = 0.0037313 k( 3) = ( 0.0232558 -0.0710733 -0.0417297), wk = 0.0037313 k( 4) = ( 0.0348837 -0.1066100 -0.0625946), wk = 0.0037313 k( 5) = ( 0.0465116 -0.1421467 -0.0834595), wk = 0.0037313 k( 6) = ( 0.0581395 -0.1776833 -0.1043243), wk = 0.0037313 k( 7) = ( 0.0697674 -0.2132200 -0.1251892), wk = 0.0037313 k( 8) = ( 0.0813954 -0.2487567 -0.1460540), wk = 0.0037313 k( 9) = ( 0.0930233 -0.2842933 -0.1669189), wk = 0.0037313 k( 10) = ( 0.1046512 -0.3198300 -0.1877838), wk = 0.0037313 k( 11) = ( 0.1162791 -0.3553667 -0.2086486), wk = 0.0037313 k( 12) = ( 0.1279070 -0.3909033 -0.2295135), wk = 0.0037313 k( 13) = ( 0.1395349 -0.4264400 -0.2503783), wk = 0.0037313 k( 14) = ( 0.1511628 -0.4619767 -0.2712432), wk = 0.0037313 k( 15) = ( 0.1627907 -0.4975133 -0.2921081), wk = 0.0037313 k( 16) = ( 0.1744186 -0.5330500 -0.3129729), wk = 0.0037313 k( 17) = ( 0.1860465 -0.5685867 -0.3338378), wk = 0.0037313 k( 18) = ( 0.1976744 -0.6041233 -0.3547027), wk = 0.0037313 k( 19) = ( 0.2093023 -0.6396600 -0.3755675), wk = 0.0037313 k( 20) = ( 0.2209302 -0.6751967 -0.3964324), wk = 0.0037313 k( 21) = ( 0.2325581 -0.7107333 -0.4172973), wk = 0.0037313 k( 22) = ( 0.2441860 -0.7462700 -0.4381621), wk = 0.0037313 k( 23) = ( 0.2558140 -0.7818067 -0.4590270), wk = 0.0037313 k( 24) = ( 0.2674419 -0.8173433 -0.4798918), wk = 0.0037313 k( 25) = ( 0.2790698 -0.8528800 -0.5007567), wk = 0.0037313 k( 26) = ( 0.2906977 -0.8884166 -0.5216216), wk = 0.0037313 k( 27) = ( 0.3023256 -0.9239533 -0.5424864), wk = 0.0037313 k( 28) = ( 0.3139535 -0.9594900 -0.5633513), wk = 0.0037313 k( 29) = ( 0.3255814 -0.9950267 -0.5842162), wk = 0.0037313 k( 30) = ( 0.3372093 -1.0305633 -0.6050810), wk = 0.0037313 k( 31) = ( 0.3488372 -1.0661000 -0.6259459), wk = 0.0037313 k( 32) = ( 0.3604651 -1.1016367 -0.6468107), wk = 0.0037313 k( 33) = ( 0.3720930 -1.1371733 -0.6676756), wk = 0.0037313 k( 34) = ( 0.3837209 -1.1727100 -0.6885405), wk = 0.0037313 k( 35) = ( 0.3953488 -1.2082467 -0.7094053), wk = 0.0037313 k( 36) = ( 0.4069767 -1.2437833 -0.7302702), wk = 0.0037313 k( 37) = ( 0.4186047 -1.2793200 -0.7511351), wk = 0.0037313 k( 38) = ( 0.4302326 -1.3148567 -0.7719999), wk = 0.0037313 k( 39) = ( 0.4418605 -1.3503933 -0.7928648), wk = 0.0037313 k( 40) = ( 0.4534884 -1.3859300 -0.8137296), wk = 0.0037313 k( 41) = ( 0.4651163 -1.4214667 -0.8345945), wk = 0.0037313 k( 42) = ( 0.4767442 -1.4570033 -0.8554594), wk = 0.0037313 k( 43) = ( 0.4883721 -1.4925400 -0.8763242), wk = 0.0037313 k( 44) = ( 0.5000000 -1.5280767 -0.8971891), wk = 0.0037313 k( 45) = ( 0.5000000 -1.5280767 -0.8971891), wk = 0.0037313 k( 46) = ( 0.5000000 -1.5067592 -0.9334967), wk = 0.0037313 k( 47) = ( 0.5000000 -1.4854417 -0.9698042), wk = 0.0037313 k( 48) = ( 0.5000000 -1.4641242 -1.0061119), wk = 0.0037313 k( 49) = ( 0.5000000 -1.4428067 -1.0424194), wk = 0.0037313 k( 50) = ( 0.5000000 -1.4214892 -1.0787270), wk = 0.0037313 k( 51) = ( 0.5000000 -1.4001717 -1.1150346), wk = 0.0037313 k( 52) = ( 0.5000000 -1.3788542 -1.1513421), wk = 0.0037313 k( 53) = ( 0.5000000 -1.3575367 -1.1876497), wk = 0.0037313 k( 54) = ( 0.5000000 -1.3362192 -1.2239573), wk = 0.0037313 k( 55) = ( 0.5000000 -1.3149017 -1.2602649), wk = 0.0037313 k( 56) = ( 0.5000000 -1.2935842 -1.2965725), wk = 0.0037313 k( 57) = ( 0.5000000 -1.2722667 -1.3328800), wk = 0.0037313 k( 58) = ( 0.5000000 -1.2509492 -1.3691876), wk = 0.0037313 k( 59) = ( 0.5000000 -1.2296317 -1.4054952), wk = 0.0037313 k( 60) = ( 0.5000000 -1.2083142 -1.4418028), wk = 0.0037313 k( 61) = ( 0.5000000 -1.1869968 -1.4781104), wk = 0.0037313 k( 62) = ( 0.5000000 -1.1656793 -1.5144179), wk = 0.0037313 k( 63) = ( 0.5000000 -1.1443618 -1.5507255), wk = 0.0037313 k( 64) = ( 0.5000000 -1.1230443 -1.5870331), wk = 0.0037313 k( 65) = ( 0.5000000 -1.1017268 -1.6233407), wk = 0.0037313 k( 66) = ( 0.5000000 -1.0804093 -1.6596483), wk = 0.0037313 k( 67) = ( 0.5000000 -1.0590918 -1.6959559), wk = 0.0037313 k( 68) = ( 0.5000000 -1.0377743 -1.7322634), wk = 0.0037313 k( 69) = ( 0.5000000 -1.0164568 -1.7685710), wk = 0.0037313 k( 70) = ( 0.5000000 -0.9951393 -1.8048786), wk = 0.0037313 k( 71) = ( 0.5000000 -0.9738218 -1.8411862), wk = 0.0037313 k( 72) = ( 0.8276355 -0.9215819 -1.7475702), wk = 0.0037313 k( 73) = ( 0.8209491 -0.9011471 -1.7109502), wk = 0.0037313 k( 74) = ( 0.8142627 -0.8807124 -1.6743303), wk = 0.0037313 k( 75) = ( 0.8075762 -0.8602776 -1.6377103), wk = 0.0037313 k( 76) = ( 0.8008898 -0.8398428 -1.6010903), wk = 0.0037313 k( 77) = ( 0.7942033 -0.8194080 -1.5644704), wk = 0.0037313 k( 78) = ( 0.7875169 -0.7989732 -1.5278504), wk = 0.0037313 k( 79) = ( 0.7808305 -0.7785384 -1.4912304), wk = 0.0037313 k( 80) = ( 0.7741440 -0.7581036 -1.4546105), wk = 0.0037313 k( 81) = ( 0.7674576 -0.7376689 -1.4179905), wk = 0.0037313 k( 82) = ( 0.7607711 -0.7172341 -1.3813705), wk = 0.0037313 k( 83) = ( 0.7540847 -0.6967993 -1.3447506), wk = 0.0037313 k( 84) = ( 0.7473983 -0.6763645 -1.3081306), wk = 0.0037313 k( 85) = ( 0.7407118 -0.6559297 -1.2715107), wk = 0.0037313 k( 86) = ( 0.7340254 -0.6354949 -1.2348907), wk = 0.0037313 k( 87) = ( 0.7273390 -0.6150601 -1.1982707), wk = 0.0037313 k( 88) = ( 0.7206525 -0.5946254 -1.1616508), wk = 0.0037313 k( 89) = ( 0.7139661 -0.5741906 -1.1250308), wk = 0.0037313 k( 90) = ( 0.7072796 -0.5537558 -1.0884108), wk = 0.0037313 k( 91) = ( 0.7005932 -0.5333210 -1.0517909), wk = 0.0037313 k( 92) = ( 0.6939068 -0.5128862 -1.0151710), wk = 0.0037313 k( 93) = ( 0.6872203 -0.4924515 -0.9785510), wk = 0.0037313 k( 94) = ( 0.6805339 -0.4720167 -0.9419310), wk = 0.0037313 k( 95) = ( 0.6738474 -0.4515819 -0.9053111), wk = 0.0037313 k( 96) = ( 0.6671610 -0.4311471 -0.8686911), wk = 0.0037313 k( 97) = ( 0.6604746 -0.4107123 -0.8320711), wk = 0.0037313 k( 98) = ( 0.6537881 -0.3902775 -0.7954512), wk = 0.0037313 k( 99) = ( 0.6471017 -0.3698427 -0.7588312), wk = 0.0037313 k( 100) = ( 0.6404152 -0.3494080 -0.7222113), wk = 0.0037313 k( 101) = ( 0.6337288 -0.3289732 -0.6855913), wk = 0.0037313 k( 102) = ( 0.6270424 -0.3085384 -0.6489713), wk = 0.0037313 k( 103) = ( 0.6203559 -0.2881036 -0.6123514), wk = 0.0037313 k( 104) = ( 0.6136695 -0.2676688 -0.5757314), wk = 0.0037313 k( 105) = ( 0.6069830 -0.2472340 -0.5391114), wk = 0.0037313 k( 106) = ( 0.6002966 -0.2267992 -0.5024915), wk = 0.0037313 k( 107) = ( 0.5936102 -0.2063645 -0.4658715), wk = 0.0037313 k( 108) = ( 0.5869237 -0.1859297 -0.4292515), wk = 0.0037313 k( 109) = ( 0.5802373 -0.1654949 -0.3926316), wk = 0.0037313 k( 110) = ( 0.5735508 -0.1450601 -0.3560116), wk = 0.0037313 k( 111) = ( 0.5668644 -0.1246253 -0.3193916), wk = 0.0037313 k( 112) = ( 0.5601780 -0.1041905 -0.2827717), wk = 0.0037313 k( 113) = ( 0.5534915 -0.0837557 -0.2461517), wk = 0.0037313 k( 114) = ( 0.5468051 -0.0633210 -0.2095318), wk = 0.0037313 k( 115) = ( 0.5401186 -0.0428862 -0.1729118), wk = 0.0037313 k( 116) = ( 0.5334322 -0.0224514 -0.1362918), wk = 0.0037313 k( 117) = ( 0.5267458 -0.0020166 -0.0996719), wk = 0.0037313 k( 118) = ( 0.5200593 0.0184182 -0.0630519), wk = 0.0037313 k( 119) = ( 0.5133729 0.0388530 -0.0264319), wk = 0.0037313 k( 120) = ( 0.5066864 0.0592878 0.0101880), wk = 0.0037313 k( 121) = ( 0.5000000 0.0797225 0.0468080), wk = 0.0037313 k( 122) = ( 0.5000000 0.0797225 0.0468080), wk = 0.0037313 k( 123) = ( 0.4583333 0.0730790 0.0429073), wk = 0.0037313 k( 124) = ( 0.4166667 0.0664355 0.0390067), wk = 0.0037313 k( 125) = ( 0.3750000 0.0597919 0.0351060), wk = 0.0037313 k( 126) = ( 0.3333333 0.0531484 0.0312053), wk = 0.0037313 k( 127) = ( 0.2916667 0.0465048 0.0273047), wk = 0.0037313 k( 128) = ( 0.2500000 0.0398613 0.0234040), wk = 0.0037313 k( 129) = ( 0.2083333 0.0332177 0.0195033), wk = 0.0037313 k( 130) = ( 0.1666667 0.0265742 0.0156027), wk = 0.0037313 k( 131) = ( 0.1250000 0.0199306 0.0117020), wk = 0.0037313 k( 132) = ( 0.0833333 0.0132871 0.0078013), wk = 0.0037313 k( 133) = ( 0.0416667 0.0066435 0.0039007), wk = 0.0037313 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 136) = ( 0.0067236 -0.0205485 -0.0368237), wk = 0.0037313 k( 137) = ( 0.0134473 -0.0410970 -0.0736475), wk = 0.0037313 k( 138) = ( 0.0201709 -0.0616455 -0.1104712), wk = 0.0037313 k( 139) = ( 0.0268946 -0.0821940 -0.1472949), wk = 0.0037313 k( 140) = ( 0.0336182 -0.1027424 -0.1841186), wk = 0.0037313 k( 141) = ( 0.0403419 -0.1232909 -0.2209424), wk = 0.0037313 k( 142) = ( 0.0470655 -0.1438394 -0.2577661), wk = 0.0037313 k( 143) = ( 0.0537892 -0.1643879 -0.2945898), wk = 0.0037313 k( 144) = ( 0.0605128 -0.1849364 -0.3314135), wk = 0.0037313 k( 145) = ( 0.0672364 -0.2054849 -0.3682372), wk = 0.0037313 k( 146) = ( 0.0739601 -0.2260334 -0.4050610), wk = 0.0037313 k( 147) = ( 0.0806837 -0.2465818 -0.4418847), wk = 0.0037313 k( 148) = ( 0.0874074 -0.2671304 -0.4787084), wk = 0.0037313 k( 149) = ( 0.0941310 -0.2876788 -0.5155321), wk = 0.0037313 k( 150) = ( 0.1008547 -0.3082273 -0.5523559), wk = 0.0037313 k( 151) = ( 0.1075783 -0.3287758 -0.5891796), wk = 0.0037313 k( 152) = ( 0.1143020 -0.3493243 -0.6260033), wk = 0.0037313 k( 153) = ( 0.1210256 -0.3698728 -0.6628270), wk = 0.0037313 k( 154) = ( 0.1277493 -0.3904213 -0.6996508), wk = 0.0037313 k( 155) = ( 0.1344729 -0.4109698 -0.7364745), wk = 0.0037313 k( 156) = ( 0.1411965 -0.4315182 -0.7732982), wk = 0.0037313 k( 157) = ( 0.1479202 -0.4520667 -0.8101219), wk = 0.0037313 k( 158) = ( 0.1546438 -0.4726152 -0.8469456), wk = 0.0037313 k( 159) = ( 0.1613675 -0.4931637 -0.8837694), wk = 0.0037313 k( 160) = ( 0.1680911 -0.5137122 -0.9205931), wk = 0.0037313 k( 161) = ( 0.1748148 -0.5342607 -0.9574168), wk = 0.0037313 k( 162) = ( 0.1815384 -0.5548092 -0.9942405), wk = 0.0037313 k( 163) = ( 0.1882620 -0.5753577 -1.0310643), wk = 0.0037313 k( 164) = ( 0.1949857 -0.5959062 -1.0678880), wk = 0.0037313 k( 165) = ( 0.2017093 -0.6164546 -1.1047117), wk = 0.0037313 k( 166) = ( 0.2084330 -0.6370031 -1.1415354), wk = 0.0037313 k( 167) = ( 0.2151566 -0.6575516 -1.1783591), wk = 0.0037313 k( 168) = ( 0.2218803 -0.6781001 -1.2151829), wk = 0.0037313 k( 169) = ( 0.2286039 -0.6986486 -1.2520066), wk = 0.0037313 k( 170) = ( 0.2353276 -0.7191971 -1.2888303), wk = 0.0037313 k( 171) = ( 0.2420512 -0.7397456 -1.3256540), wk = 0.0037313 k( 172) = ( 0.2487748 -0.7602941 -1.3624778), wk = 0.0037313 k( 173) = ( 0.2554985 -0.7808426 -1.3993015), wk = 0.0037313 k( 174) = ( 0.2622221 -0.8013910 -1.4361252), wk = 0.0037313 k( 175) = ( 0.2689458 -0.8219395 -1.4729489), wk = 0.0037313 k( 176) = ( 0.2756694 -0.8424880 -1.5097726), wk = 0.0037313 k( 177) = ( 0.2823931 -0.8630365 -1.5465964), wk = 0.0037313 k( 178) = ( 0.2891167 -0.8835850 -1.5834201), wk = 0.0037313 k( 179) = ( 0.2958404 -0.9041335 -1.6202439), wk = 0.0037313 k( 180) = ( 0.3025640 -0.9246820 -1.6570676), wk = 0.0037313 k( 181) = ( 0.3092877 -0.9452305 -1.6938913), wk = 0.0037313 k( 182) = ( 0.3160113 -0.9657790 -1.7307150), wk = 0.0037313 k( 183) = ( 0.3227349 -0.9863274 -1.7675387), wk = 0.0037313 k( 184) = ( 0.3294586 -1.0068759 -1.8043625), wk = 0.0037313 k( 185) = ( 0.3361822 -1.0274244 -1.8411862), wk = 0.0037313 k( 186) = ( 0.6638178 -0.9477019 -1.7943782), wk = 0.0037313 k( 187) = ( 0.6572651 -0.9066049 -1.7943782), wk = 0.0037313 k( 188) = ( 0.6507124 -0.8655079 -1.7943782), wk = 0.0037313 k( 189) = ( 0.6441596 -0.8244109 -1.7943782), wk = 0.0037313 k( 190) = ( 0.6376069 -0.7833140 -1.7943782), wk = 0.0037313 k( 191) = ( 0.6310542 -0.7422170 -1.7943782), wk = 0.0037313 k( 192) = ( 0.6245015 -0.7011200 -1.7943782), wk = 0.0037313 k( 193) = ( 0.6179488 -0.6600230 -1.7943782), wk = 0.0037313 k( 194) = ( 0.6113961 -0.6189261 -1.7943782), wk = 0.0037313 k( 195) = ( 0.6048434 -0.5778291 -1.7943782), wk = 0.0037313 k( 196) = ( 0.5982907 -0.5367321 -1.7943782), wk = 0.0037313 k( 197) = ( 0.5917379 -0.4956351 -1.7943782), wk = 0.0037313 k( 198) = ( 0.5851852 -0.4545381 -1.7943782), wk = 0.0037313 k( 199) = ( 0.5786325 -0.4134412 -1.7943782), wk = 0.0037313 k( 200) = ( 0.5720798 -0.3723442 -1.7943782), wk = 0.0037313 k( 201) = ( 0.5655271 -0.3312472 -1.7943782), wk = 0.0037313 k( 202) = ( 0.5589744 -0.2901503 -1.7943782), wk = 0.0037313 k( 203) = ( 0.5524217 -0.2490533 -1.7943782), wk = 0.0037313 k( 204) = ( 0.5458690 -0.2079563 -1.7943782), wk = 0.0037313 k( 205) = ( 0.5393163 -0.1668593 -1.7943782), wk = 0.0037313 k( 206) = ( 0.5327636 -0.1257624 -1.7943782), wk = 0.0037313 k( 207) = ( 0.5262108 -0.0846653 -1.7943782), wk = 0.0037313 k( 208) = ( 0.5196581 -0.0435684 -1.7943782), wk = 0.0037313 k( 209) = ( 0.5131054 -0.0024714 -1.7943782), wk = 0.0037313 k( 210) = ( 0.5065527 0.0386256 -1.7943782), wk = 0.0037313 k( 211) = ( 0.5000000 0.0797225 -1.7943782), wk = 0.0037313 k( 212) = ( 0.5000000 0.0797225 -1.7943782), wk = 0.0037313 k( 213) = ( 0.5409544 0.0862525 -1.7826762), wk = 0.0037313 k( 214) = ( 0.5819089 0.0927825 -1.7709742), wk = 0.0037313 k( 215) = ( 0.6228633 0.0993125 -1.7592722), wk = 0.0037313 k( 216) = ( 0.6638178 0.1058425 -1.7475702), wk = 0.0037313 k( 217) = ( 0.6638178 0.1058425 -1.7475702), wk = 0.0037313 k( 218) = ( 0.6599173 0.1052206 -1.7048469), wk = 0.0037313 k( 219) = ( 0.6560169 0.1045987 -1.6621236), wk = 0.0037313 k( 220) = ( 0.6521165 0.1039768 -1.6194003), wk = 0.0037313 k( 221) = ( 0.6482161 0.1033549 -1.5766770), wk = 0.0037313 k( 222) = ( 0.6443157 0.1027330 -1.5339537), wk = 0.0037313 k( 223) = ( 0.6404152 0.1021111 -1.4912305), wk = 0.0037313 k( 224) = ( 0.6365148 0.1014892 -1.4485072), wk = 0.0037313 k( 225) = ( 0.6326144 0.1008673 -1.4057839), wk = 0.0037313 k( 226) = ( 0.6287140 0.1002454 -1.3630606), wk = 0.0037313 k( 227) = ( 0.6248135 0.0996234 -1.3203373), wk = 0.0037313 k( 228) = ( 0.6209131 0.0990015 -1.2776140), wk = 0.0037313 k( 229) = ( 0.6170127 0.0983796 -1.2348907), wk = 0.0037313 k( 230) = ( 0.6131123 0.0977577 -1.1921674), wk = 0.0037313 k( 231) = ( 0.6092118 0.0971358 -1.1494441), wk = 0.0037313 k( 232) = ( 0.6053114 0.0965139 -1.1067208), wk = 0.0037313 k( 233) = ( 0.6014110 0.0958920 -1.0639975), wk = 0.0037313 k( 234) = ( 0.5975106 0.0952701 -1.0212743), wk = 0.0037313 k( 235) = ( 0.5936102 0.0946482 -0.9785510), wk = 0.0037313 k( 236) = ( 0.5897097 0.0940263 -0.9358277), wk = 0.0037313 k( 237) = ( 0.5858093 0.0934044 -0.8931044), wk = 0.0037313 k( 238) = ( 0.5819089 0.0927825 -0.8503811), wk = 0.0037313 k( 239) = ( 0.5780085 0.0921606 -0.8076578), wk = 0.0037313 k( 240) = ( 0.5741080 0.0915387 -0.7649345), wk = 0.0037313 k( 241) = ( 0.5702076 0.0909168 -0.7222113), wk = 0.0037313 k( 242) = ( 0.5663072 0.0902949 -0.6794880), wk = 0.0037313 k( 243) = ( 0.5624068 0.0896730 -0.6367646), wk = 0.0037313 k( 244) = ( 0.5585064 0.0890511 -0.5940414), wk = 0.0037313 k( 245) = ( 0.5546059 0.0884292 -0.5513181), wk = 0.0037313 k( 246) = ( 0.5507055 0.0878073 -0.5085948), wk = 0.0037313 k( 247) = ( 0.5468051 0.0871854 -0.4658715), wk = 0.0037313 k( 248) = ( 0.5429047 0.0865635 -0.4231482), wk = 0.0037313 k( 249) = ( 0.5390042 0.0859416 -0.3804249), wk = 0.0037313 k( 250) = ( 0.5351038 0.0853197 -0.3377016), wk = 0.0037313 k( 251) = ( 0.5312034 0.0846978 -0.2949783), wk = 0.0037313 k( 252) = ( 0.5273030 0.0840759 -0.2522550), wk = 0.0037313 k( 253) = ( 0.5234025 0.0834540 -0.2095318), wk = 0.0037313 k( 254) = ( 0.5195021 0.0828321 -0.1668085), wk = 0.0037313 k( 255) = ( 0.5156017 0.0822102 -0.1240852), wk = 0.0037313 k( 256) = ( 0.5117013 0.0815883 -0.0813619), wk = 0.0037313 k( 257) = ( 0.5078008 0.0809664 -0.0386386), wk = 0.0037313 k( 258) = ( 0.5039004 0.0803444 0.0040847), wk = 0.0037313 k( 259) = ( 0.5000000 0.0797225 0.0468080), wk = 0.0037313 k( 260) = ( 0.5000000 -1.5280767 -0.8971891), wk = 0.0037313 k( 261) = ( 0.5409544 -1.5181113 -0.8913381), wk = 0.0037313 k( 262) = ( 0.5819089 -1.5081460 -0.8854871), wk = 0.0037313 k( 263) = ( 0.6228633 -1.4981807 -0.8796361), wk = 0.0037313 k( 264) = ( 0.6638178 -1.4882154 -0.8737851), wk = 0.0037313 k( 265) = ( 0.7047722 -1.4782501 -0.8679341), wk = 0.0037313 k( 266) = ( 0.7457267 -1.4682847 -0.8620831), wk = 0.0037313 k( 267) = ( 0.7866811 -1.4583194 -0.8562321), wk = 0.0037313 k( 268) = ( 0.8276355 -1.4483541 -0.8503811), wk = 0.0037313 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 2) = ( 0.0116279 0.0000000 0.0000000), wk = 0.0037313 k( 3) = ( 0.0232558 0.0000000 0.0000000), wk = 0.0037313 k( 4) = ( 0.0348837 0.0000000 0.0000000), wk = 0.0037313 k( 5) = ( 0.0465116 0.0000000 0.0000000), wk = 0.0037313 k( 6) = ( 0.0581395 0.0000000 0.0000000), wk = 0.0037313 k( 7) = ( 0.0697674 0.0000000 0.0000000), wk = 0.0037313 k( 8) = ( 0.0813954 0.0000000 0.0000000), wk = 0.0037313 k( 9) = ( 0.0930233 0.0000000 0.0000000), wk = 0.0037313 k( 10) = ( 0.1046512 0.0000000 0.0000000), wk = 0.0037313 k( 11) = ( 0.1162791 0.0000000 0.0000000), wk = 0.0037313 k( 12) = ( 0.1279070 0.0000000 0.0000000), wk = 0.0037313 k( 13) = ( 0.1395349 0.0000000 0.0000000), wk = 0.0037313 k( 14) = ( 0.1511628 0.0000000 0.0000000), wk = 0.0037313 k( 15) = ( 0.1627907 0.0000000 0.0000000), wk = 0.0037313 k( 16) = ( 0.1744186 0.0000000 0.0000000), wk = 0.0037313 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0037313 k( 18) = ( 0.1976744 0.0000000 0.0000000), wk = 0.0037313 k( 19) = ( 0.2093023 0.0000000 0.0000000), wk = 0.0037313 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0037313 k( 21) = ( 0.2325581 0.0000000 0.0000000), wk = 0.0037313 k( 22) = ( 0.2441860 0.0000000 0.0000000), wk = 0.0037313 k( 23) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0037313 k( 24) = ( 0.2674419 0.0000000 0.0000000), wk = 0.0037313 k( 25) = ( 0.2790698 0.0000000 0.0000000), wk = 0.0037313 k( 26) = ( 0.2906977 0.0000000 0.0000000), wk = 0.0037313 k( 27) = ( 0.3023256 0.0000000 0.0000000), wk = 0.0037313 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0037313 k( 29) = ( 0.3255814 0.0000000 0.0000000), wk = 0.0037313 k( 30) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0037313 k( 31) = ( 0.3488372 0.0000000 0.0000000), wk = 0.0037313 k( 32) = ( 0.3604651 0.0000000 0.0000000), wk = 0.0037313 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0037313 k( 34) = ( 0.3837209 0.0000000 0.0000000), wk = 0.0037313 k( 35) = ( 0.3953488 0.0000000 0.0000000), wk = 0.0037313 k( 36) = ( 0.4069767 0.0000000 0.0000000), wk = 0.0037313 k( 37) = ( 0.4186047 0.0000000 0.0000000), wk = 0.0037313 k( 38) = ( 0.4302326 0.0000000 0.0000000), wk = 0.0037313 k( 39) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0037313 k( 40) = ( 0.4534884 0.0000000 0.0000000), wk = 0.0037313 k( 41) = ( 0.4651163 0.0000000 0.0000000), wk = 0.0037313 k( 42) = ( 0.4767442 0.0000000 0.0000000), wk = 0.0037313 k( 43) = ( 0.4883721 0.0000000 0.0000000), wk = 0.0037313 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037313 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037313 k( 46) = ( 0.5000000 0.0066294 -0.0066294), wk = 0.0037313 k( 47) = ( 0.5000000 0.0132588 -0.0132588), wk = 0.0037313 k( 48) = ( 0.5000000 0.0198882 -0.0198882), wk = 0.0037313 k( 49) = ( 0.5000000 0.0265176 -0.0265176), wk = 0.0037313 k( 50) = ( 0.5000000 0.0331470 -0.0331470), wk = 0.0037313 k( 51) = ( 0.5000000 0.0397764 -0.0397764), wk = 0.0037313 k( 52) = ( 0.5000000 0.0464058 -0.0464058), wk = 0.0037313 k( 53) = ( 0.5000000 0.0530352 -0.0530352), wk = 0.0037313 k( 54) = ( 0.5000000 0.0596646 -0.0596646), wk = 0.0037313 k( 55) = ( 0.5000000 0.0662940 -0.0662940), wk = 0.0037313 k( 56) = ( 0.5000000 0.0729234 -0.0729234), wk = 0.0037313 k( 57) = ( 0.5000000 0.0795528 -0.0795528), wk = 0.0037313 k( 58) = ( 0.5000000 0.0861822 -0.0861822), wk = 0.0037313 k( 59) = ( 0.5000000 0.0928116 -0.0928116), wk = 0.0037313 k( 60) = ( 0.5000000 0.0994410 -0.0994410), wk = 0.0037313 k( 61) = ( 0.5000000 0.1060704 -0.1060704), wk = 0.0037313 k( 62) = ( 0.5000000 0.1126998 -0.1126998), wk = 0.0037313 k( 63) = ( 0.5000000 0.1193292 -0.1193292), wk = 0.0037313 k( 64) = ( 0.5000000 0.1259586 -0.1259586), wk = 0.0037313 k( 65) = ( 0.5000000 0.1325880 -0.1325880), wk = 0.0037313 k( 66) = ( 0.5000000 0.1392174 -0.1392174), wk = 0.0037313 k( 67) = ( 0.5000000 0.1458468 -0.1458468), wk = 0.0037313 k( 68) = ( 0.5000000 0.1524762 -0.1524762), wk = 0.0037313 k( 69) = ( 0.5000000 0.1591056 -0.1591056), wk = 0.0037313 k( 70) = ( 0.5000000 0.1657351 -0.1657350), wk = 0.0037313 k( 71) = ( 0.5000000 0.1723645 -0.1723644), wk = 0.0037313 k( 72) = ( 0.8276355 0.5000000 0.1723645), wk = 0.0037313 k( 73) = ( 0.8209491 0.5000000 0.1790509), wk = 0.0037313 k( 74) = ( 0.8142627 0.5000000 0.1857373), wk = 0.0037313 k( 75) = ( 0.8075762 0.5000000 0.1924238), wk = 0.0037313 k( 76) = ( 0.8008898 0.5000000 0.1991102), wk = 0.0037313 k( 77) = ( 0.7942033 0.5000000 0.2057967), wk = 0.0037313 k( 78) = ( 0.7875169 0.5000000 0.2124831), wk = 0.0037313 k( 79) = ( 0.7808305 0.5000000 0.2191695), wk = 0.0037313 k( 80) = ( 0.7741440 0.5000000 0.2258560), wk = 0.0037313 k( 81) = ( 0.7674576 0.5000000 0.2325424), wk = 0.0037313 k( 82) = ( 0.7607711 0.5000000 0.2392289), wk = 0.0037313 k( 83) = ( 0.7540847 0.5000000 0.2459153), wk = 0.0037313 k( 84) = ( 0.7473983 0.5000000 0.2526017), wk = 0.0037313 k( 85) = ( 0.7407118 0.5000000 0.2592882), wk = 0.0037313 k( 86) = ( 0.7340254 0.5000000 0.2659746), wk = 0.0037313 k( 87) = ( 0.7273390 0.5000000 0.2726611), wk = 0.0037313 k( 88) = ( 0.7206525 0.5000000 0.2793475), wk = 0.0037313 k( 89) = ( 0.7139661 0.5000000 0.2860339), wk = 0.0037313 k( 90) = ( 0.7072796 0.5000000 0.2927204), wk = 0.0037313 k( 91) = ( 0.7005932 0.5000000 0.2994068), wk = 0.0037313 k( 92) = ( 0.6939068 0.5000000 0.3060932), wk = 0.0037313 k( 93) = ( 0.6872203 0.5000000 0.3127797), wk = 0.0037313 k( 94) = ( 0.6805339 0.5000000 0.3194661), wk = 0.0037313 k( 95) = ( 0.6738474 0.5000000 0.3261526), wk = 0.0037313 k( 96) = ( 0.6671610 0.5000000 0.3328390), wk = 0.0037313 k( 97) = ( 0.6604746 0.5000000 0.3395254), wk = 0.0037313 k( 98) = ( 0.6537881 0.5000000 0.3462119), wk = 0.0037313 k( 99) = ( 0.6471017 0.5000000 0.3528983), wk = 0.0037313 k( 100) = ( 0.6404152 0.5000000 0.3595848), wk = 0.0037313 k( 101) = ( 0.6337288 0.5000000 0.3662712), wk = 0.0037313 k( 102) = ( 0.6270424 0.5000000 0.3729576), wk = 0.0037313 k( 103) = ( 0.6203559 0.5000000 0.3796441), wk = 0.0037313 k( 104) = ( 0.6136695 0.5000000 0.3863305), wk = 0.0037313 k( 105) = ( 0.6069830 0.5000000 0.3930170), wk = 0.0037313 k( 106) = ( 0.6002966 0.5000000 0.3997034), wk = 0.0037313 k( 107) = ( 0.5936102 0.5000000 0.4063898), wk = 0.0037313 k( 108) = ( 0.5869237 0.5000000 0.4130763), wk = 0.0037313 k( 109) = ( 0.5802373 0.5000000 0.4197627), wk = 0.0037313 k( 110) = ( 0.5735508 0.5000000 0.4264492), wk = 0.0037313 k( 111) = ( 0.5668644 0.5000000 0.4331356), wk = 0.0037313 k( 112) = ( 0.5601780 0.5000000 0.4398220), wk = 0.0037313 k( 113) = ( 0.5534915 0.5000000 0.4465085), wk = 0.0037313 k( 114) = ( 0.5468051 0.5000000 0.4531949), wk = 0.0037313 k( 115) = ( 0.5401186 0.5000000 0.4598814), wk = 0.0037313 k( 116) = ( 0.5334322 0.5000000 0.4665678), wk = 0.0037313 k( 117) = ( 0.5267458 0.5000000 0.4732542), wk = 0.0037313 k( 118) = ( 0.5200593 0.5000000 0.4799407), wk = 0.0037313 k( 119) = ( 0.5133729 0.5000000 0.4866271), wk = 0.0037313 k( 120) = ( 0.5066864 0.5000000 0.4933136), wk = 0.0037313 k( 121) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037313 k( 122) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037313 k( 123) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0037313 k( 124) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0037313 k( 125) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0037313 k( 126) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0037313 k( 127) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0037313 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037313 k( 129) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0037313 k( 130) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0037313 k( 131) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0037313 k( 132) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0037313 k( 133) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0037313 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 136) = ( 0.0067236 0.0000000 -0.0067236), wk = 0.0037313 k( 137) = ( 0.0134473 0.0000000 -0.0134473), wk = 0.0037313 k( 138) = ( 0.0201709 0.0000000 -0.0201709), wk = 0.0037313 k( 139) = ( 0.0268946 0.0000000 -0.0268946), wk = 0.0037313 k( 140) = ( 0.0336182 0.0000000 -0.0336182), wk = 0.0037313 k( 141) = ( 0.0403419 0.0000000 -0.0403419), wk = 0.0037313 k( 142) = ( 0.0470655 0.0000000 -0.0470655), wk = 0.0037313 k( 143) = ( 0.0537892 0.0000000 -0.0537892), wk = 0.0037313 k( 144) = ( 0.0605128 0.0000000 -0.0605128), wk = 0.0037313 k( 145) = ( 0.0672364 0.0000000 -0.0672364), wk = 0.0037313 k( 146) = ( 0.0739601 0.0000000 -0.0739601), wk = 0.0037313 k( 147) = ( 0.0806837 0.0000000 -0.0806837), wk = 0.0037313 k( 148) = ( 0.0874074 0.0000000 -0.0874074), wk = 0.0037313 k( 149) = ( 0.0941310 0.0000000 -0.0941310), wk = 0.0037313 k( 150) = ( 0.1008547 0.0000000 -0.1008547), wk = 0.0037313 k( 151) = ( 0.1075783 0.0000000 -0.1075783), wk = 0.0037313 k( 152) = ( 0.1143020 0.0000000 -0.1143020), wk = 0.0037313 k( 153) = ( 0.1210256 0.0000000 -0.1210256), wk = 0.0037313 k( 154) = ( 0.1277493 0.0000000 -0.1277492), wk = 0.0037313 k( 155) = ( 0.1344729 0.0000000 -0.1344729), wk = 0.0037313 k( 156) = ( 0.1411965 0.0000000 -0.1411965), wk = 0.0037313 k( 157) = ( 0.1479202 0.0000000 -0.1479202), wk = 0.0037313 k( 158) = ( 0.1546438 0.0000000 -0.1546438), wk = 0.0037313 k( 159) = ( 0.1613675 0.0000000 -0.1613675), wk = 0.0037313 k( 160) = ( 0.1680911 0.0000000 -0.1680911), wk = 0.0037313 k( 161) = ( 0.1748148 0.0000000 -0.1748148), wk = 0.0037313 k( 162) = ( 0.1815384 0.0000000 -0.1815384), wk = 0.0037313 k( 163) = ( 0.1882620 0.0000000 -0.1882620), wk = 0.0037313 k( 164) = ( 0.1949857 0.0000000 -0.1949857), wk = 0.0037313 k( 165) = ( 0.2017093 0.0000000 -0.2017093), wk = 0.0037313 k( 166) = ( 0.2084330 0.0000000 -0.2084330), wk = 0.0037313 k( 167) = ( 0.2151566 0.0000000 -0.2151566), wk = 0.0037313 k( 168) = ( 0.2218803 0.0000000 -0.2218803), wk = 0.0037313 k( 169) = ( 0.2286039 0.0000000 -0.2286039), wk = 0.0037313 k( 170) = ( 0.2353276 0.0000000 -0.2353276), wk = 0.0037313 k( 171) = ( 0.2420512 0.0000000 -0.2420512), wk = 0.0037313 k( 172) = ( 0.2487748 0.0000000 -0.2487748), wk = 0.0037313 k( 173) = ( 0.2554985 0.0000000 -0.2554985), wk = 0.0037313 k( 174) = ( 0.2622221 0.0000000 -0.2622221), wk = 0.0037313 k( 175) = ( 0.2689458 0.0000000 -0.2689458), wk = 0.0037313 k( 176) = ( 0.2756694 0.0000000 -0.2756694), wk = 0.0037313 k( 177) = ( 0.2823931 0.0000000 -0.2823931), wk = 0.0037313 k( 178) = ( 0.2891167 0.0000000 -0.2891167), wk = 0.0037313 k( 179) = ( 0.2958404 0.0000000 -0.2958404), wk = 0.0037313 k( 180) = ( 0.3025640 0.0000000 -0.3025640), wk = 0.0037313 k( 181) = ( 0.3092877 0.0000000 -0.3092876), wk = 0.0037313 k( 182) = ( 0.3160113 0.0000000 -0.3160113), wk = 0.0037313 k( 183) = ( 0.3227349 0.0000000 -0.3227349), wk = 0.0037313 k( 184) = ( 0.3294586 0.0000000 -0.3294586), wk = 0.0037313 k( 185) = ( 0.3361822 0.0000000 -0.3361822), wk = 0.0037313 k( 186) = ( 0.6638178 0.3361822 0.0000000), wk = 0.0037313 k( 187) = ( 0.6572651 0.3427349 0.0000000), wk = 0.0037313 k( 188) = ( 0.6507124 0.3492877 0.0000000), wk = 0.0037313 k( 189) = ( 0.6441596 0.3558404 0.0000000), wk = 0.0037313 k( 190) = ( 0.6376069 0.3623931 0.0000000), wk = 0.0037313 k( 191) = ( 0.6310542 0.3689458 0.0000000), wk = 0.0037313 k( 192) = ( 0.6245015 0.3754985 0.0000000), wk = 0.0037313 k( 193) = ( 0.6179488 0.3820512 0.0000000), wk = 0.0037313 k( 194) = ( 0.6113961 0.3886039 0.0000000), wk = 0.0037313 k( 195) = ( 0.6048434 0.3951566 0.0000000), wk = 0.0037313 k( 196) = ( 0.5982907 0.4017093 0.0000000), wk = 0.0037313 k( 197) = ( 0.5917379 0.4082621 0.0000000), wk = 0.0037313 k( 198) = ( 0.5851852 0.4148148 0.0000000), wk = 0.0037313 k( 199) = ( 0.5786325 0.4213675 0.0000000), wk = 0.0037313 k( 200) = ( 0.5720798 0.4279202 0.0000000), wk = 0.0037313 k( 201) = ( 0.5655271 0.4344729 0.0000000), wk = 0.0037313 k( 202) = ( 0.5589744 0.4410256 0.0000000), wk = 0.0037313 k( 203) = ( 0.5524217 0.4475783 0.0000000), wk = 0.0037313 k( 204) = ( 0.5458690 0.4541310 0.0000000), wk = 0.0037313 k( 205) = ( 0.5393163 0.4606837 0.0000000), wk = 0.0037313 k( 206) = ( 0.5327636 0.4672364 0.0000000), wk = 0.0037313 k( 207) = ( 0.5262108 0.4737892 0.0000000), wk = 0.0037313 k( 208) = ( 0.5196581 0.4803419 0.0000000), wk = 0.0037313 k( 209) = ( 0.5131054 0.4868946 0.0000000), wk = 0.0037313 k( 210) = ( 0.5065527 0.4934473 0.0000000), wk = 0.0037313 k( 211) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037313 k( 212) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037313 k( 213) = ( 0.5409544 0.5409544 0.0430911), wk = 0.0037313 k( 214) = ( 0.5819089 0.5819089 0.0861822), wk = 0.0037313 k( 215) = ( 0.6228633 0.6228633 0.1292733), wk = 0.0037313 k( 216) = ( 0.6638178 0.6638178 0.1723645), wk = 0.0037313 k( 217) = ( 0.6638178 0.6638178 0.1723645), wk = 0.0037313 k( 218) = ( 0.6599173 0.6599173 0.1801653), wk = 0.0037313 k( 219) = ( 0.6560169 0.6560169 0.1879661), wk = 0.0037313 k( 220) = ( 0.6521165 0.6521165 0.1957670), wk = 0.0037313 k( 221) = ( 0.6482161 0.6482161 0.2035678), wk = 0.0037313 k( 222) = ( 0.6443157 0.6443157 0.2113687), wk = 0.0037313 k( 223) = ( 0.6404152 0.6404152 0.2191695), wk = 0.0037313 k( 224) = ( 0.6365148 0.6365148 0.2269704), wk = 0.0037313 k( 225) = ( 0.6326144 0.6326144 0.2347712), wk = 0.0037313 k( 226) = ( 0.6287140 0.6287140 0.2425721), wk = 0.0037313 k( 227) = ( 0.6248135 0.6248135 0.2503729), wk = 0.0037313 k( 228) = ( 0.6209131 0.6209131 0.2581738), wk = 0.0037313 k( 229) = ( 0.6170127 0.6170127 0.2659746), wk = 0.0037313 k( 230) = ( 0.6131123 0.6131123 0.2737754), wk = 0.0037313 k( 231) = ( 0.6092118 0.6092119 0.2815763), wk = 0.0037313 k( 232) = ( 0.6053114 0.6053114 0.2893772), wk = 0.0037313 k( 233) = ( 0.6014110 0.6014110 0.2971780), wk = 0.0037313 k( 234) = ( 0.5975106 0.5975106 0.3049788), wk = 0.0037313 k( 235) = ( 0.5936102 0.5936102 0.3127797), wk = 0.0037313 k( 236) = ( 0.5897097 0.5897097 0.3205805), wk = 0.0037313 k( 237) = ( 0.5858093 0.5858093 0.3283814), wk = 0.0037313 k( 238) = ( 0.5819089 0.5819089 0.3361822), wk = 0.0037313 k( 239) = ( 0.5780085 0.5780085 0.3439831), wk = 0.0037313 k( 240) = ( 0.5741080 0.5741080 0.3517839), wk = 0.0037313 k( 241) = ( 0.5702076 0.5702076 0.3595848), wk = 0.0037313 k( 242) = ( 0.5663072 0.5663072 0.3673856), wk = 0.0037313 k( 243) = ( 0.5624068 0.5624068 0.3751865), wk = 0.0037313 k( 244) = ( 0.5585064 0.5585064 0.3829873), wk = 0.0037313 k( 245) = ( 0.5546059 0.5546059 0.3907882), wk = 0.0037313 k( 246) = ( 0.5507055 0.5507055 0.3985890), wk = 0.0037313 k( 247) = ( 0.5468051 0.5468051 0.4063898), wk = 0.0037313 k( 248) = ( 0.5429047 0.5429047 0.4141907), wk = 0.0037313 k( 249) = ( 0.5390042 0.5390042 0.4219915), wk = 0.0037313 k( 250) = ( 0.5351038 0.5351038 0.4297924), wk = 0.0037313 k( 251) = ( 0.5312034 0.5312034 0.4375932), wk = 0.0037313 k( 252) = ( 0.5273030 0.5273030 0.4453941), wk = 0.0037313 k( 253) = ( 0.5234025 0.5234025 0.4531949), wk = 0.0037313 k( 254) = ( 0.5195021 0.5195021 0.4609958), wk = 0.0037313 k( 255) = ( 0.5156017 0.5156017 0.4687966), wk = 0.0037313 k( 256) = ( 0.5117013 0.5117013 0.4765975), wk = 0.0037313 k( 257) = ( 0.5078008 0.5078008 0.4843983), wk = 0.0037313 k( 258) = ( 0.5039004 0.5039004 0.4921991), wk = 0.0037313 k( 259) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037313 k( 260) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037313 k( 261) = ( 0.5409544 0.0420228 0.0420228), wk = 0.0037313 k( 262) = ( 0.5819089 0.0840456 0.0840456), wk = 0.0037313 k( 263) = ( 0.6228633 0.1260683 0.1260683), wk = 0.0037313 k( 264) = ( 0.6638178 0.1680911 0.1680911), wk = 0.0037313 k( 265) = ( 0.7047722 0.2101139 0.2101139), wk = 0.0037313 k( 266) = ( 0.7457267 0.2521367 0.2521367), wk = 0.0037313 k( 267) = ( 0.7866811 0.2941595 0.2941595), wk = 0.0037313 k( 268) = ( 0.8276355 0.3361822 0.3361822), wk = 0.0037313 Dense grid: 33209 G-vectors FFT dimensions: ( 96, 96, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 278, 46) NL pseudopotentials 0.18 Mb ( 139, 85) Each V/rho on FFT grid 0.42 Mb ( 27648) Each G-vector array 0.01 Mb ( 1038) G-vector shells 0.01 Mb ( 861) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.78 Mb ( 278, 184) Each subspace H/S matrix 0.52 Mb ( 184, 184) Each matrix 0.12 Mb ( 85, 2, 46) The potential is recalculated from file : ./Bi4Se3.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.5 secs Computing kpt #: 2 total cpu time spent up to now is 7.1 secs Computing kpt #: 3 total cpu time spent up to now is 9.8 secs Computing kpt #: 4 total cpu time spent up to now is 12.5 secs Computing kpt #: 5 total cpu time spent up to now is 15.3 secs Computing kpt #: 6 total cpu time spent up to now is 18.0 secs Computing kpt #: 7 total cpu time spent up to now is 20.7 secs Computing kpt #: 8 total cpu time spent up to now is 23.3 secs Computing kpt #: 9 total cpu time spent up to now is 25.9 secs Computing kpt #: 10 total cpu time spent up to now is 28.5 secs Computing kpt #: 11 total cpu time spent up to now is 31.1 secs Computing kpt #: 12 total cpu time spent up to now is 33.7 secs Computing kpt #: 13 total cpu time spent up to now is 36.3 secs Computing kpt #: 14 total cpu time spent up to now is 38.9 secs Computing kpt #: 15 total cpu time spent up to now is 41.3 secs Computing kpt #: 16 total cpu time spent up to now is 43.8 secs Computing kpt #: 17 total cpu time spent up to now is 46.2 secs Computing kpt #: 18 total cpu time spent up to now is 48.7 secs Computing kpt #: 19 total cpu time spent up to now is 51.0 secs Computing kpt #: 20 total cpu time spent up to now is 53.5 secs Computing kpt #: 21 total cpu time spent up to now is 56.0 secs Computing kpt #: 22 total cpu time spent up to now is 58.4 secs Computing kpt #: 23 total cpu time spent up to now is 60.8 secs Computing kpt #: 24 total cpu time spent up to now is 63.3 secs Computing kpt #: 25 total cpu time spent up to now is 65.7 secs Computing kpt #: 26 total cpu time spent up to now is 68.0 secs Computing kpt #: 27 total cpu time spent up to now is 70.4 secs Computing kpt #: 28 total cpu time spent up to now is 72.8 secs Computing kpt #: 29 total cpu time spent up to now is 75.3 secs Computing kpt #: 30 total cpu time spent up to now is 77.7 secs Computing kpt #: 31 total cpu time spent up to now is 80.2 secs Computing kpt #: 32 total cpu time spent up to now is 82.7 secs Computing kpt #: 33 total cpu time spent up to now is 85.2 secs Computing kpt #: 34 total cpu time spent up to now is 87.8 secs Computing kpt #: 35 total cpu time spent up to now is 90.4 secs Computing kpt #: 36 total cpu time spent up to now is 93.2 secs Computing kpt #: 37 total cpu time spent up to now is 95.8 secs Computing kpt #: 38 total cpu time spent up to now is 98.3 secs Computing kpt #: 39 total cpu time spent up to now is 100.9 secs Computing kpt #: 40 total cpu time spent up to now is 103.3 secs Computing kpt #: 41 total cpu time spent up to now is 105.8 secs Computing kpt #: 42 total cpu time spent up to now is 108.2 secs Computing kpt #: 43 total cpu time spent up to now is 110.8 secs Computing kpt #: 44 total cpu time spent up to now is 116.6 secs Computing kpt #: 45 total cpu time spent up to now is 119.1 secs Computing kpt #: 46 total cpu time spent up to now is 121.6 secs Computing kpt #: 47 total cpu time spent up to now is 124.4 secs Computing kpt #: 48 total cpu time spent up to now is 127.2 secs Computing kpt #: 49 total cpu time spent up to now is 130.8 secs Computing kpt #: 50 total cpu time spent up to now is 133.5 secs Computing kpt #: 51 total cpu time spent up to now is 136.0 secs Computing kpt #: 52 total cpu time spent up to now is 138.4 secs Computing kpt #: 53 total cpu time spent up to now is 140.8 secs Computing kpt #: 54 total cpu time spent up to now is 143.2 secs Computing kpt #: 55 total cpu time spent up to now is 145.5 secs Computing kpt #: 56 total cpu time spent up to now is 147.8 secs Computing kpt #: 57 total cpu time spent up to now is 150.0 secs Computing kpt #: 58 total cpu time spent up to now is 152.2 secs Computing kpt #: 59 total cpu time spent up to now is 154.3 secs Computing kpt #: 60 total cpu time spent up to now is 156.3 secs Computing kpt #: 61 total cpu time spent up to now is 158.3 secs Computing kpt #: 62 total cpu time spent up to now is 160.2 secs Computing kpt #: 63 total cpu time spent up to now is 162.2 secs Computing kpt #: 64 total cpu time spent up to now is 164.5 secs Computing kpt #: 65 total cpu time spent up to now is 166.8 secs Computing kpt #: 66 total cpu time spent up to now is 169.1 secs Computing kpt #: 67 total cpu time spent up to now is 171.4 secs Computing kpt #: 68 total cpu time spent up to now is 173.8 secs Computing kpt #: 69 total cpu time spent up to now is 176.3 secs Computing kpt #: 70 total cpu time spent up to now is 178.7 secs Computing kpt #: 71 total cpu time spent up to now is 181.1 secs Computing kpt #: 72 total cpu time spent up to now is 183.5 secs Computing kpt #: 73 total cpu time spent up to now is 186.0 secs Computing kpt #: 74 total cpu time spent up to now is 188.4 secs Computing kpt #: 75 total cpu time spent up to now is 190.8 secs Computing kpt #: 76 total cpu time spent up to now is 193.2 secs Computing kpt #: 77 total cpu time spent up to now is 195.6 secs Computing kpt #: 78 total cpu time spent up to now is 198.0 secs Computing kpt #: 79 total cpu time spent up to now is 200.3 secs Computing kpt #: 80 total cpu time spent up to now is 202.6 secs Computing kpt #: 81 total cpu time spent up to now is 205.0 secs Computing kpt #: 82 total cpu time spent up to now is 207.4 secs Computing kpt #: 83 total cpu time spent up to now is 209.8 secs Computing kpt #: 84 total cpu time spent up to now is 212.1 secs Computing kpt #: 85 total cpu time spent up to now is 214.5 secs Computing kpt #: 86 total cpu time spent up to now is 216.9 secs Computing kpt #: 87 total cpu time spent up to now is 219.2 secs Computing kpt #: 88 total cpu time spent up to now is 221.5 secs Computing kpt #: 89 total cpu time spent up to now is 223.8 secs Computing kpt #: 90 total cpu time spent up to now is 226.1 secs Computing kpt #: 91 total cpu time spent up to now is 228.4 secs Computing kpt #: 92 total cpu time spent up to now is 230.7 secs Computing kpt #: 93 total cpu time spent up to now is 233.1 secs Computing kpt #: 94 total cpu time spent up to now is 235.6 secs Computing kpt #: 95 total cpu time spent up to now is 238.0 secs Computing kpt #: 96 total cpu time spent up to now is 240.4 secs Computing kpt #: 97 total cpu time spent up to now is 242.8 secs Computing kpt #: 98 total cpu time spent up to now is 245.3 secs Computing kpt #: 99 total cpu time spent up to now is 247.7 secs Computing kpt #: 100 total cpu time spent up to now is 250.2 secs Computing kpt #: 101 total cpu time spent up to now is 252.7 secs Computing kpt #: 102 total cpu time spent up to now is 255.3 secs Computing kpt #: 103 total cpu time spent up to now is 258.1 secs Computing kpt #: 104 total cpu time spent up to now is 260.6 secs Computing kpt #: 105 total cpu time spent up to now is 263.4 secs Computing kpt #: 106 total cpu time spent up to now is 266.2 secs Computing kpt #: 107 total cpu time spent up to now is 268.7 secs Computing kpt #: 108 total cpu time spent up to now is 271.2 secs Computing kpt #: 109 total cpu time spent up to now is 273.7 secs Computing kpt #: 110 total cpu time spent up to now is 276.2 secs Computing kpt #: 111 total cpu time spent up to now is 278.7 secs Computing kpt #: 112 total cpu time spent up to now is 281.1 secs Computing kpt #: 113 total cpu time spent up to now is 283.6 secs Computing kpt #: 114 total cpu time spent up to now is 286.1 secs Computing kpt #: 115 total cpu time spent up to now is 288.6 secs Computing kpt #: 116 total cpu time spent up to now is 291.1 secs Computing kpt #: 117 total cpu time spent up to now is 293.7 secs Computing kpt #: 118 total cpu time spent up to now is 296.3 secs Computing kpt #: 119 total cpu time spent up to now is 298.9 secs Computing kpt #: 120 total cpu time spent up to now is 301.4 secs Computing kpt #: 121 total cpu time spent up to now is 304.0 secs Computing kpt #: 122 total cpu time spent up to now is 306.5 secs Computing kpt #: 123 total cpu time spent up to now is 309.1 secs Computing kpt #: 124 total cpu time spent up to now is 311.6 secs Computing kpt #: 125 total cpu time spent up to now is 314.2 secs Computing kpt #: 126 total cpu time spent up to now is 316.9 secs Computing kpt #: 127 total cpu time spent up to now is 319.4 secs Computing kpt #: 128 total cpu time spent up to now is 322.0 secs Computing kpt #: 129 total cpu time spent up to now is 324.6 secs Computing kpt #: 130 total cpu time spent up to now is 327.2 secs Computing kpt #: 131 total cpu time spent up to now is 329.7 secs Computing kpt #: 132 total cpu time spent up to now is 332.3 secs Computing kpt #: 133 total cpu time spent up to now is 335.0 secs Computing kpt #: 134 total cpu time spent up to now is 337.6 secs Computing kpt #: 135 total cpu time spent up to now is 340.1 secs Computing kpt #: 136 total cpu time spent up to now is 342.8 secs Computing kpt #: 137 total cpu time spent up to now is 345.5 secs Computing kpt #: 138 total cpu time spent up to now is 348.5 secs Computing kpt #: 139 total cpu time spent up to now is 351.2 secs Computing kpt #: 140 total cpu time spent up to now is 354.2 secs Computing kpt #: 141 total cpu time spent up to now is 357.2 secs Computing kpt #: 142 total cpu time spent up to now is 360.1 secs Computing kpt #: 143 total cpu time spent up to now is 363.0 secs Computing kpt #: 144 total cpu time spent up to now is 366.0 secs Computing kpt #: 145 total cpu time spent up to now is 368.6 secs Computing kpt #: 146 total cpu time spent up to now is 371.2 secs Computing kpt #: 147 total cpu time spent up to now is 373.7 secs Computing kpt #: 148 total cpu time spent up to now is 376.3 secs Computing kpt #: 149 total cpu time spent up to now is 378.9 secs Computing kpt #: 150 total cpu time spent up to now is 381.4 secs Computing kpt #: 151 total cpu time spent up to now is 383.9 secs Computing kpt #: 152 total cpu time spent up to now is 386.4 secs Computing kpt #: 153 total cpu time spent up to now is 388.9 secs Computing kpt #: 154 total cpu time spent up to now is 391.4 secs Computing kpt #: 155 total cpu time spent up to now is 393.8 secs Computing kpt #: 156 total cpu time spent up to now is 396.2 secs Computing kpt #: 157 total cpu time spent up to now is 398.5 secs Computing kpt #: 158 total cpu time spent up to now is 400.8 secs Computing kpt #: 159 total cpu time spent up to now is 403.1 secs Computing kpt #: 160 total cpu time spent up to now is 405.4 secs Computing kpt #: 161 total cpu time spent up to now is 407.7 secs Computing kpt #: 162 total cpu time spent up to now is 410.0 secs Computing kpt #: 163 total cpu time spent up to now is 414.7 secs Computing kpt #: 164 total cpu time spent up to now is 417.6 secs Computing kpt #: 165 total cpu time spent up to now is 419.8 secs Computing kpt #: 166 total cpu time spent up to now is 422.0 secs Computing kpt #: 167 total cpu time spent up to now is 424.2 secs Computing kpt #: 168 total cpu time spent up to now is 426.5 secs Computing kpt #: 169 total cpu time spent up to now is 428.7 secs Computing kpt #: 170 total cpu time spent up to now is 431.0 secs Computing kpt #: 171 total cpu time spent up to now is 433.2 secs Computing kpt #: 172 total cpu time spent up to now is 435.5 secs Computing kpt #: 173 total cpu time spent up to now is 437.8 secs Computing kpt #: 174 total cpu time spent up to now is 440.2 secs Computing kpt #: 175 total cpu time spent up to now is 442.6 secs Computing kpt #: 176 total cpu time spent up to now is 445.0 secs Computing kpt #: 177 total cpu time spent up to now is 447.4 secs Computing kpt #: 178 total cpu time spent up to now is 449.9 secs Computing kpt #: 179 total cpu time spent up to now is 452.4 secs Computing kpt #: 180 total cpu time spent up to now is 454.9 secs Computing kpt #: 181 total cpu time spent up to now is 457.3 secs Computing kpt #: 182 total cpu time spent up to now is 460.0 secs Computing kpt #: 183 total cpu time spent up to now is 462.4 secs Computing kpt #: 184 total cpu time spent up to now is 464.8 secs Computing kpt #: 185 total cpu time spent up to now is 467.1 secs Computing kpt #: 186 total cpu time spent up to now is 469.5 secs Computing kpt #: 187 total cpu time spent up to now is 471.9 secs Computing kpt #: 188 total cpu time spent up to now is 474.3 secs Computing kpt #: 189 total cpu time spent up to now is 476.6 secs Computing kpt #: 190 total cpu time spent up to now is 479.0 secs Computing kpt #: 191 total cpu time spent up to now is 481.3 secs Computing kpt #: 192 total cpu time spent up to now is 483.6 secs Computing kpt #: 193 total cpu time spent up to now is 485.9 secs Computing kpt #: 194 total cpu time spent up to now is 488.3 secs Computing kpt #: 195 total cpu time spent up to now is 490.6 secs Computing kpt #: 196 total cpu time spent up to now is 493.0 secs Computing kpt #: 197 total cpu time spent up to now is 495.4 secs Computing kpt #: 198 total cpu time spent up to now is 497.8 secs Computing kpt #: 199 total cpu time spent up to now is 500.2 secs Computing kpt #: 200 total cpu time spent up to now is 502.6 secs Computing kpt #: 201 total cpu time spent up to now is 505.0 secs Computing kpt #: 202 total cpu time spent up to now is 507.4 secs Computing kpt #: 203 total cpu time spent up to now is 509.8 secs Computing kpt #: 204 total cpu time spent up to now is 512.2 secs Computing kpt #: 205 total cpu time spent up to now is 514.7 secs Computing kpt #: 206 total cpu time spent up to now is 517.1 secs Computing kpt #: 207 total cpu time spent up to now is 519.5 secs Computing kpt #: 208 total cpu time spent up to now is 522.0 secs Computing kpt #: 209 total cpu time spent up to now is 524.5 secs Computing kpt #: 210 total cpu time spent up to now is 527.0 secs Computing kpt #: 211 total cpu time spent up to now is 529.5 secs Computing kpt #: 212 total cpu time spent up to now is 531.9 secs Computing kpt #: 213 total cpu time spent up to now is 534.5 secs Computing kpt #: 214 total cpu time spent up to now is 537.0 secs Computing kpt #: 215 total cpu time spent up to now is 539.8 secs Computing kpt #: 216 total cpu time spent up to now is 542.7 secs Computing kpt #: 217 total cpu time spent up to now is 545.5 secs Computing kpt #: 218 total cpu time spent up to now is 548.4 secs Computing kpt #: 219 total cpu time spent up to now is 551.0 secs Computing kpt #: 220 total cpu time spent up to now is 553.5 secs Computing kpt #: 221 total cpu time spent up to now is 556.4 secs Computing kpt #: 222 total cpu time spent up to now is 559.0 secs Computing kpt #: 223 total cpu time spent up to now is 561.8 secs Computing kpt #: 224 total cpu time spent up to now is 564.7 secs Computing kpt #: 225 total cpu time spent up to now is 567.5 secs Computing kpt #: 226 total cpu time spent up to now is 570.0 secs Computing kpt #: 227 total cpu time spent up to now is 572.6 secs Computing kpt #: 228 total cpu time spent up to now is 575.1 secs Computing kpt #: 229 total cpu time spent up to now is 577.6 secs Computing kpt #: 230 total cpu time spent up to now is 580.1 secs Computing kpt #: 231 total cpu time spent up to now is 582.5 secs Computing kpt #: 232 total cpu time spent up to now is 584.9 secs Computing kpt #: 233 total cpu time spent up to now is 587.4 secs Computing kpt #: 234 total cpu time spent up to now is 589.8 secs Computing kpt #: 235 total cpu time spent up to now is 592.3 secs Computing kpt #: 236 total cpu time spent up to now is 594.9 secs Computing kpt #: 237 total cpu time spent up to now is 597.4 secs Computing kpt #: 238 total cpu time spent up to now is 599.9 secs Computing kpt #: 239 total cpu time spent up to now is 602.4 secs Computing kpt #: 240 total cpu time spent up to now is 604.9 secs Computing kpt #: 241 total cpu time spent up to now is 607.4 secs Computing kpt #: 242 total cpu time spent up to now is 609.8 secs Computing kpt #: 243 total cpu time spent up to now is 612.3 secs Computing kpt #: 244 total cpu time spent up to now is 614.8 secs Computing kpt #: 245 total cpu time spent up to now is 617.3 secs Computing kpt #: 246 total cpu time spent up to now is 619.8 secs Computing kpt #: 247 total cpu time spent up to now is 622.2 secs Computing kpt #: 248 total cpu time spent up to now is 624.7 secs Computing kpt #: 249 total cpu time spent up to now is 627.1 secs Computing kpt #: 250 total cpu time spent up to now is 629.5 secs Computing kpt #: 251 total cpu time spent up to now is 632.0 secs Computing kpt #: 252 total cpu time spent up to now is 634.5 secs Computing kpt #: 253 total cpu time spent up to now is 637.0 secs Computing kpt #: 254 total cpu time spent up to now is 639.5 secs Computing kpt #: 255 total cpu time spent up to now is 642.1 secs Computing kpt #: 256 total cpu time spent up to now is 644.7 secs Computing kpt #: 257 total cpu time spent up to now is 647.2 secs Computing kpt #: 258 total cpu time spent up to now is 649.8 secs Computing kpt #: 259 total cpu time spent up to now is 652.4 secs Computing kpt #: 260 total cpu time spent up to now is 654.9 secs Computing kpt #: 261 total cpu time spent up to now is 657.3 secs Computing kpt #: 262 total cpu time spent up to now is 659.7 secs Computing kpt #: 263 total cpu time spent up to now is 662.2 secs Computing kpt #: 264 total cpu time spent up to now is 664.6 secs Computing kpt #: 265 total cpu time spent up to now is 667.0 secs Computing kpt #: 266 total cpu time spent up to now is 669.6 secs Computing kpt #: 267 total cpu time spent up to now is 672.2 secs Computing kpt #: 268 total cpu time spent up to now is 675.1 secs ethr = 2.63E-11, avg # of iterations = 34.1 total cpu time spent up to now is 675.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4131 PWs) bands (ev): -8.5580 -8.5580 -8.1003 -8.1003 -7.1487 -7.1487 -6.3137 -6.3137 -4.1210 -4.1210 -2.8309 -2.8309 -2.3527 -2.3527 2.8247 2.8247 2.9688 2.9688 3.3851 3.3851 3.7465 3.7465 3.8002 3.8002 3.8122 3.8122 3.9350 3.9350 4.1671 4.1671 4.2939 4.2939 4.6144 4.6144 5.2595 5.2595 6.1993 6.1993 6.4746 6.4746 6.6476 6.6476 7.0283 7.0283 7.3372 7.3372 k = 0.0116-0.0355-0.0209 ( 4125 PWs) bands (ev): -8.5569 -8.5569 -8.0993 -8.0993 -7.1480 -7.1480 -6.3126 -6.3126 -4.1211 -4.1211 -2.8330 -2.8330 -2.3536 -2.3536 2.8197 2.8197 2.9639 2.9639 3.3778 3.3778 3.7505 3.7505 3.7611 3.7611 3.8348 3.8348 3.9409 3.9409 4.1599 4.1599 4.2935 4.2935 4.6279 4.6279 5.2630 5.2630 6.1854 6.1854 6.4769 6.4769 6.6452 6.6452 7.0315 7.0315 7.3379 7.3379 k = 0.0233-0.0711-0.0417 ( 4123 PWs) bands (ev): -8.5536 -8.5536 -8.0964 -8.0964 -7.1459 -7.1459 -6.3097 -6.3097 -4.1214 -4.1214 -2.8394 -2.8394 -2.3563 -2.3563 2.8052 2.8052 2.9491 2.9491 3.3566 3.3566 3.7058 3.7058 3.7601 3.7601 3.8441 3.8441 3.9551 3.9551 4.1420 4.1420 4.2957 4.2957 4.6628 4.6628 5.2728 5.2728 6.1464 6.1464 6.4829 6.4829 6.6382 6.6382 7.0407 7.0407 7.3392 7.3392 k = 0.0349-0.1066-0.0626 ( 4117 PWs) bands (ev): -8.5481 -8.5481 -8.0916 -8.0916 -7.1424 -7.1424 -6.3047 -6.3047 -4.1218 -4.1218 -2.8499 -2.8499 -2.3607 -2.3607 2.7822 2.7822 2.9243 2.9243 3.3233 3.3233 3.6442 3.6442 3.7672 3.7672 3.8411 3.8411 3.9693 3.9693 4.1234 4.1234 4.3049 4.3049 4.7076 4.7076 5.2871 5.2871 6.0880 6.0880 6.4917 6.4917 6.6268 6.6268 7.0553 7.0553 7.3379 7.3379 k = 0.0465-0.1421-0.0835 ( 4116 PWs) bands (ev): -8.5403 -8.5403 -8.0849 -8.0849 -7.1375 -7.1375 -6.2978 -6.2978 -4.1225 -4.1225 -2.8645 -2.8645 -2.3669 -2.3669 2.7520 2.7520 2.8893 2.8893 3.2795 3.2795 3.5805 3.5805 3.7602 3.7602 3.8342 3.8342 3.9772 3.9772 4.1142 4.1142 4.3232 4.3232 4.7522 4.7522 5.3037 5.3037 6.0171 6.0171 6.5036 6.5036 6.6114 6.6114 7.0729 7.0729 7.3306 7.3306 k = 0.0581-0.1777-0.1043 ( 4110 PWs) bands (ev): -8.5304 -8.5304 -8.0762 -8.0762 -7.1313 -7.1313 -6.2889 -6.2889 -4.1236 -4.1236 -2.8832 -2.8832 -2.3750 -2.3750 2.7150 2.7150 2.8450 2.8450 3.2269 3.2269 3.5177 3.5177 3.7338 3.7338 3.8248 3.8248 3.9793 3.9793 4.1188 4.1188 4.3505 4.3505 4.7890 4.7890 5.3200 5.3200 5.9411 5.9411 6.5191 6.5191 6.5928 6.5928 7.0896 7.0896 7.3210 7.3210 k = 0.0698-0.2132-0.1252 ( 4112 PWs) bands (ev): -8.5183 -8.5183 -8.0657 -8.0657 -7.1239 -7.1239 -6.2780 -6.2780 -4.1250 -4.1250 -2.9058 -2.9058 -2.3851 -2.3851 2.6706 2.6706 2.7934 2.7934 3.1679 3.1679 3.4574 3.4574 3.6934 3.6934 3.8063 3.8063 3.9812 3.9812 4.1339 4.1339 4.3853 4.3853 4.8119 4.8119 5.3339 5.3339 5.8677 5.8677 6.5324 6.5324 6.5775 6.5775 7.1011 7.1011 7.3193 7.3193 k = 0.0814-0.2488-0.1461 ( 4118 PWs) bands (ev): -8.5040 -8.5040 -8.0532 -8.0532 -7.1152 -7.1152 -6.2651 -6.2651 -4.1269 -4.1269 -2.9322 -2.9322 -2.3971 -2.3971 2.6159 2.6159 2.7389 2.7389 3.1051 3.1051 3.3999 3.3999 3.6449 3.6449 3.7763 3.7763 3.9856 3.9856 4.1539 4.1539 4.4246 4.4246 4.8170 4.8170 5.3433 5.3433 5.8046 5.8046 6.5194 6.5194 6.5883 6.5883 7.1062 7.1062 7.3324 7.3324 k = 0.0930-0.2843-0.1669 ( 4126 PWs) bands (ev): -8.4875 -8.4875 -8.0390 -8.0390 -7.1053 -7.1053 -6.2502 -6.2502 -4.1295 -4.1295 -2.9622 -2.9622 -2.4111 -2.4111 2.5475 2.5475 2.6870 2.6870 3.0412 3.0412 3.3443 3.3443 3.5914 3.5914 3.7371 3.7371 3.9917 3.9917 4.1744 4.1744 4.4638 4.4638 4.8038 4.8038 5.3457 5.3457 5.7593 5.7593 6.4866 6.4866 6.6156 6.6156 7.1092 7.1092 7.3603 7.3603 k = 0.1047-0.3198-0.1878 ( 4123 PWs) bands (ev): -8.4689 -8.4689 -8.0229 -8.0229 -7.0943 -7.0943 -6.2333 -6.2333 -4.1327 -4.1327 -2.9958 -2.9958 -2.4270 -2.4270 2.4648 2.4648 2.6402 2.6402 2.9782 2.9782 3.2898 3.2898 3.5348 3.5348 3.6919 3.6919 3.9979 3.9979 4.1931 4.1931 4.4945 4.4945 4.7788 4.7788 5.3387 5.3387 5.7365 5.7365 6.4462 6.4462 6.6433 6.6433 7.1173 7.1173 7.3992 7.3992 k = 0.1163-0.3554-0.2086 ( 4132 PWs) bands (ev): -8.4482 -8.4482 -8.0050 -8.0050 -7.0822 -7.0822 -6.2143 -6.2143 -4.1368 -4.1368 -3.0329 -3.0329 -2.4449 -2.4449 2.3711 2.3711 2.5975 2.5975 2.9168 2.9168 3.2360 3.2360 3.4761 3.4761 3.6430 3.6430 4.0031 4.0031 4.2084 4.2084 4.5023 4.5023 4.7571 4.7571 5.3221 5.3221 5.7358 5.7358 6.4015 6.4015 6.6647 6.6647 7.1361 7.1361 7.4458 7.4458 k = 0.1279-0.3909-0.2295 ( 4127 PWs) bands (ev): -8.4253 -8.4253 -7.9853 -7.9853 -7.0691 -7.0691 -6.1934 -6.1934 -4.1418 -4.1418 -3.0732 -3.0732 -2.4646 -2.4646 2.2703 2.2703 2.5569 2.5569 2.8574 2.8574 3.1830 3.1830 3.4159 3.4159 3.5920 3.5920 4.0063 4.0063 4.2195 4.2195 4.4737 4.4737 4.7545 4.7545 5.2987 5.2987 5.7523 5.7523 6.3549 6.3549 6.6770 6.6770 7.1677 7.1677 7.4977 7.4977 k = 0.1395-0.4264-0.2504 ( 4126 PWs) bands (ev): -8.4004 -8.4004 -7.9639 -7.9639 -7.0552 -7.0552 -6.1704 -6.1704 -4.1479 -4.1479 -3.1168 -3.1168 -2.4862 -2.4862 2.1653 2.1653 2.5164 2.5164 2.7999 2.7999 3.1311 3.1311 3.3549 3.3549 3.5400 3.5400 4.0064 4.0064 4.2252 4.2252 4.4155 4.4155 4.7675 4.7675 5.2718 5.2718 5.7791 5.7791 6.3089 6.3089 6.6808 6.6808 7.2107 7.2107 7.5533 7.5533 k = 0.1512-0.4620-0.2712 ( 4124 PWs) bands (ev): -8.3735 -8.3735 -7.9408 -7.9408 -7.0405 -7.0405 -6.1453 -6.1453 -4.1553 -4.1553 -3.1634 -3.1634 -2.5096 -2.5096 2.0587 2.0587 2.4744 2.4744 2.7438 2.7438 3.0815 3.0815 3.2935 3.2935 3.4880 3.4880 4.0017 4.0017 4.2225 4.2225 4.3474 4.3474 4.7825 4.7825 5.2438 5.2438 5.8101 5.8101 6.2667 6.2667 6.6795 6.6795 7.2618 7.2618 7.6110 7.6110 k = 0.1628-0.4975-0.2921 ( 4136 PWs) bands (ev): -8.3445 -8.3445 -7.9161 -7.9161 -7.0251 -7.0251 -6.1183 -6.1183 -4.1642 -4.1642 -3.2129 -3.2129 -2.5348 -2.5348 1.9521 1.9521 2.4293 2.4293 2.6888 2.6888 3.0355 3.0355 3.2321 3.2321 3.4367 3.4367 3.9887 3.9887 4.2016 4.2016 4.2928 4.2928 4.7904 4.7904 5.2147 5.2147 5.8398 5.8398 6.2320 6.2320 6.6775 6.6775 7.3175 7.3175 7.6691 7.6691 k = 0.1744-0.5330-0.3130 ( 4131 PWs) bands (ev): -8.3136 -8.3136 -7.8897 -7.8897 -7.0092 -7.0092 -6.0892 -6.0892 -4.1746 -4.1746 -3.2651 -3.2651 -2.5616 -2.5616 1.8469 1.8469 2.3798 2.3798 2.6343 2.6343 2.9945 2.9945 3.1714 3.1714 3.3866 3.3866 3.9612 3.9612 4.1591 4.1591 4.2672 4.2672 4.7878 4.7878 5.1823 5.1823 5.8630 5.8630 6.2089 6.2089 6.6793 6.6793 7.3751 7.3751 7.7258 7.7258 k = 0.1860-0.5686-0.3338 ( 4130 PWs) bands (ev): -8.2807 -8.2807 -7.8619 -7.8619 -6.9928 -6.9928 -6.0581 -6.0581 -4.1867 -4.1867 -3.3198 -3.3198 -2.5899 -2.5899 1.7440 1.7440 2.3246 2.3246 2.5797 2.5797 2.9596 2.9596 3.1118 3.1118 3.3384 3.3384 3.9132 3.9132 4.1200 4.1200 4.2549 4.2549 4.7748 4.7748 5.1432 5.1432 5.8751 5.8751 6.2012 6.2012 6.6885 6.6885 7.4326 7.4326 7.7787 7.7787 k = 0.1977-0.6041-0.3547 ( 4130 PWs) bands (ev): -8.2460 -8.2460 -7.8326 -7.8326 -6.9761 -6.9761 -6.0250 -6.0250 -4.2007 -4.2007 -3.3769 -3.3769 -2.6197 -2.6197 1.6444 1.6444 2.2633 2.2633 2.5250 2.5250 2.9309 2.9309 3.0541 3.0541 3.2927 3.2927 3.8479 3.8479 4.0946 4.0946 4.2447 4.2447 4.7534 4.7534 5.0945 5.0945 5.8733 5.8733 6.2104 6.2104 6.7081 6.7081 7.4887 7.4887 7.8256 7.8256 k = 0.2093-0.6397-0.3756 ( 4128 PWs) bands (ev): -8.2094 -8.2094 -7.8019 -7.8019 -6.9592 -6.9592 -5.9900 -5.9900 -4.2167 -4.2167 -3.4360 -3.4360 -2.6510 -2.6510 1.5486 1.5486 2.1956 2.1956 2.4707 2.4707 2.9068 2.9068 2.9993 2.9993 3.2504 3.2504 3.7743 3.7743 4.0782 4.0782 4.2335 4.2335 4.7259 4.7259 5.0348 5.0348 5.8581 5.8581 6.2341 6.2341 6.7392 6.7392 7.5426 7.5426 7.8641 7.8641 k = 0.2209-0.6752-0.3964 ( 4130 PWs) bands (ev): -8.1710 -8.1710 -7.7700 -7.7700 -6.9423 -6.9423 -5.9530 -5.9530 -4.2348 -4.2348 -3.4969 -3.4969 -2.6837 -2.6837 1.4570 1.4570 2.1220 2.1220 2.4173 2.4173 2.8832 2.8832 2.9502 2.9502 3.2125 3.2125 3.6993 3.6993 4.0655 4.0655 4.2204 4.2204 4.6943 4.6943 4.9649 4.9649 5.8324 5.8324 6.2677 6.2677 6.7817 6.7817 7.5935 7.5935 7.8929 7.8929 k = 0.2326-0.7107-0.4173 ( 4135 PWs) bands (ev): -8.1309 -8.1309 -7.7368 -7.7368 -6.9254 -6.9254 -5.9142 -5.9142 -4.2550 -4.2550 -3.5593 -3.5593 -2.7179 -2.7179 1.3701 1.3701 2.0435 2.0435 2.3655 2.3655 2.8521 2.8521 2.9126 2.9126 3.1803 3.1803 3.6265 3.6265 4.0537 4.0537 4.2054 4.2054 4.6595 4.6595 4.8871 4.8871 5.7993 5.7993 6.3068 6.3068 6.8342 6.8342 7.6408 7.6408 7.9125 7.9125 k = 0.2442-0.7463-0.4382 ( 4134 PWs) bands (ev): -8.0892 -8.0892 -7.7025 -7.7025 -6.9089 -6.9089 -5.8735 -5.8735 -4.2775 -4.2775 -3.6229 -3.6229 -2.7535 -2.7535 1.2881 1.2881 1.9616 1.9616 2.3158 2.3158 2.8102 2.8102 2.8870 2.8870 3.1551 3.1551 3.5579 3.5579 4.0409 4.0409 4.1885 4.1885 4.6214 4.6214 4.8055 4.8055 5.7612 5.7612 6.3480 6.3480 6.8945 6.8945 7.6839 7.6839 7.9255 7.9255 k = 0.2558-0.7818-0.4590 ( 4141 PWs) bands (ev): -8.0459 -8.0459 -7.6673 -7.6673 -6.8927 -6.8927 -5.8312 -5.8312 -4.3023 -4.3023 -3.6874 -3.6874 -2.7905 -2.7905 1.2108 1.2108 1.8779 1.8779 2.2682 2.2682 2.7637 2.7637 2.8648 2.8648 3.1373 3.1373 3.4951 3.4951 4.0253 4.0253 4.1700 4.1700 4.5775 4.5775 4.7266 4.7266 5.7200 5.7200 6.3893 6.3893 6.9600 6.9600 7.7221 7.7221 7.9355 7.9355 k = 0.2674-0.8173-0.4799 ( 4138 PWs) bands (ev): -8.0011 -8.0011 -7.6312 -7.6312 -6.8771 -6.8771 -5.7872 -5.7872 -4.3293 -4.3293 -3.7522 -3.7522 -2.8290 -2.8290 1.1383 1.1383 1.7943 1.7943 2.2229 2.2229 2.7168 2.7168 2.8409 2.8409 3.1257 3.1257 3.4397 3.4397 4.0050 4.0050 4.1505 4.1505 4.5224 4.5224 4.6600 4.6600 5.6769 5.6769 6.4290 6.4290 7.0277 7.0277 7.7548 7.7548 7.9464 7.9464 k = 0.2791-0.8529-0.5008 ( 4139 PWs) bands (ev): -7.9549 -7.9549 -7.5944 -7.5944 -6.8623 -6.8623 -5.7417 -5.7417 -4.3585 -4.3585 -3.8170 -3.8170 -2.8690 -2.8690 1.0702 1.0702 1.7127 1.7127 2.1800 2.1800 2.6709 2.6709 2.8139 2.8139 3.1168 3.1168 3.3938 3.3938 3.9772 3.9772 4.1312 4.1312 4.4544 4.4544 4.6117 4.6117 5.6331 5.6331 6.4663 6.4663 7.0946 7.0946 7.7816 7.7816 7.9609 7.9609 k = 0.2907-0.8884-0.5216 ( 4144 PWs) bands (ev): -7.9074 -7.9074 -7.5570 -7.5570 -6.8484 -6.8484 -5.6949 -5.6949 -4.3899 -4.3899 -3.8814 -3.8814 -2.9106 -2.9106 1.0061 1.0061 1.6349 1.6349 2.1393 2.1393 2.6265 2.6265 2.7843 2.7843 3.1057 3.1057 3.3600 3.3600 3.9390 3.9390 4.1129 4.1129 4.3816 4.3816 4.5780 4.5780 5.5893 5.5893 6.5007 6.5007 7.1577 7.1577 7.8029 7.8029 7.9808 7.9808 k = 0.3023-0.9240-0.5425 ( 4145 PWs) bands (ev): -7.8588 -7.8588 -7.5192 -7.5192 -6.8356 -6.8356 -5.6468 -5.6468 -4.4234 -4.4234 -3.9448 -3.9448 -2.9536 -2.9536 0.9451 0.9451 1.5627 1.5627 2.1009 2.1009 2.5839 2.5839 2.7531 2.7531 3.0881 3.0881 3.3392 3.3392 3.8887 3.8887 4.0963 4.0963 4.3134 4.3134 4.5539 4.5539 5.5462 5.5462 6.5317 6.5317 7.2143 7.2143 7.8199 7.8199 8.0059 8.0059 k = 0.3140-0.9595-0.5634 ( 4151 PWs) bands (ev): -7.8091 -7.8091 -7.4812 -7.4812 -6.8241 -6.8241 -5.5978 -5.5978 -4.4589 -4.4589 -4.0068 -4.0068 -2.9981 -2.9981 0.8867 0.8867 1.4980 1.4980 2.0648 2.0648 2.5433 2.5433 2.7212 2.7212 3.0629 3.0629 3.3290 3.3290 3.8274 3.8274 4.0808 4.0808 4.2552 4.2552 4.5368 4.5368 5.5042 5.5042 6.5594 6.5594 7.2625 7.2625 7.8335 7.8335 8.0355 8.0355 k = 0.3256-0.9950-0.5842 ( 4150 PWs) bands (ev): -7.7585 -7.7585 -7.4433 -7.4433 -6.8141 -6.8141 -5.5480 -5.5480 -4.4960 -4.4960 -4.0669 -4.0669 -3.0439 -3.0439 0.8299 0.8299 1.4422 1.4422 2.0309 2.0309 2.5048 2.5048 2.6894 2.6894 3.0319 3.0319 3.3223 3.3223 3.7606 3.7606 4.0655 4.0655 4.2085 4.2085 4.5256 4.5256 5.4637 5.4637 6.5837 6.5837 7.3014 7.3014 7.8440 7.8440 8.0683 8.0683 k = 0.3372-1.0306-0.6051 ( 4148 PWs) bands (ev): -7.7072 -7.7072 -7.4055 -7.4055 -6.8057 -6.8057 -5.4978 -5.4978 -4.5346 -4.5346 -4.1245 -4.1245 -3.0910 -3.0910 0.7742 0.7742 1.3967 1.3967 1.9992 1.9992 2.4684 2.4684 2.6582 2.6582 2.9978 2.9978 3.3090 3.3090 3.6979 3.6979 4.0489 4.0489 4.1729 4.1729 4.5200 4.5200 5.4248 5.4248 6.6045 6.6045 7.3309 7.3309 7.8505 7.8505 8.1024 8.1024 k = 0.3488-1.0661-0.6259 ( 4145 PWs) bands (ev): -7.6552 -7.6552 -7.3683 -7.3683 -6.7993 -6.7993 -5.4475 -5.4475 -4.5743 -4.5743 -4.1791 -4.1791 -3.1392 -3.1392 0.7193 0.7193 1.3622 1.3622 1.9697 1.9697 2.4342 2.4342 2.6281 2.6281 2.9625 2.9625 3.2782 3.2782 3.6507 3.6507 4.0301 4.0301 4.1471 4.1471 4.5200 4.5200 5.3878 5.3878 6.6220 6.6220 7.3521 7.3521 7.8516 7.8516 8.1357 8.1357 k = 0.3605-1.1016-0.6468 ( 4138 PWs) bands (ev): -7.6030 -7.6030 -7.3318 -7.3318 -6.7950 -6.7950 -5.3976 -5.3976 -4.6148 -4.6148 -4.2302 -4.2302 -3.1882 -3.1882 0.6650 0.6650 1.3391 1.3391 1.9423 1.9423 2.4023 2.4023 2.5993 2.5993 2.9268 2.9268 3.2241 3.2241 3.6258 3.6258 4.0090 4.0090 4.1290 4.1290 4.5256 4.5256 5.3529 5.3529 6.6362 6.6362 7.3664 7.3664 7.8455 7.8455 8.1655 8.1655 k = 0.3721-1.1372-0.6677 ( 4135 PWs) bands (ev): -7.5506 -7.5506 -7.2964 -7.2964 -6.7931 -6.7931 -5.3484 -5.3484 -4.6556 -4.6556 -4.2772 -4.2772 -3.2376 -3.2376 0.6118 0.6118 1.3271 1.3271 1.9171 1.9171 2.3727 2.3727 2.5720 2.5720 2.8908 2.8908 3.1512 3.1512 3.6203 3.6203 3.9864 3.9864 4.1164 4.1164 4.5367 4.5367 5.3201 5.3201 6.6474 6.6474 7.3755 7.3755 7.8307 7.8307 8.1887 8.1887 k = 0.3837-1.1727-0.6885 ( 4144 PWs) bands (ev): -7.4983 -7.4983 -7.2624 -7.2624 -6.7936 -6.7936 -5.3006 -5.3006 -4.6962 -4.6962 -4.3198 -4.3198 -3.2873 -3.2873 0.5603 0.5603 1.3257 1.3257 1.8940 1.8940 2.3454 2.3454 2.5463 2.5463 2.8530 2.8530 3.0696 3.0696 3.6268 3.6268 3.9633 3.9633 4.1075 4.1075 4.5529 4.5529 5.2894 5.2894 6.6556 6.6556 7.3808 7.3808 7.8059 7.8059 8.2021 8.2021 k = 0.3953-1.2082-0.7094 ( 4154 PWs) bands (ev): -7.4464 -7.4464 -7.2301 -7.2301 -6.7967 -6.7967 -5.2548 -5.2548 -4.7360 -4.7360 -4.3574 -4.3574 -3.3365 -3.3365 0.5112 0.5112 1.3341 1.3341 1.8729 1.8729 2.3205 2.3205 2.5224 2.5224 2.8098 2.8098 2.9899 2.9899 3.6393 3.6393 3.9405 3.9405 4.1008 4.1008 4.5739 4.5739 5.2611 5.2611 6.6610 6.6610 7.3835 7.3835 7.7714 7.7714 8.2037 8.2037 k = 0.4070-1.2438-0.7303 ( 4154 PWs) bands (ev): -7.3953 -7.3953 -7.1999 -7.1999 -6.8026 -6.8026 -5.2116 -5.2116 -4.7744 -4.7744 -4.3896 -4.3896 -3.3847 -3.3847 0.4653 0.4653 1.3512 1.3512 1.8537 1.8537 2.2981 2.2981 2.5001 2.5001 2.7557 2.7557 2.9225 2.9225 3.6544 3.6544 3.9183 3.9183 4.0955 4.0955 4.5987 4.5987 5.2349 5.2349 6.6639 6.6639 7.3844 7.3844 7.7290 7.7290 8.1964 8.1964 k = 0.4186-1.2793-0.7511 ( 4155 PWs) bands (ev): -7.3452 -7.3452 -7.1721 -7.1721 -6.8114 -6.8114 -5.1716 -5.1716 -4.8110 -4.8110 -4.4161 -4.4161 -3.4312 -3.4312 0.4233 0.4233 1.3760 1.3760 1.8364 1.8364 2.2780 2.2780 2.4791 2.4791 2.6881 2.6881 2.8735 2.8735 3.6702 3.6702 3.8970 3.8970 4.0913 4.0913 4.6264 4.6264 5.2111 5.2111 6.6644 6.6644 7.3844 7.3844 7.6819 7.6819 8.1860 8.1860 k = 0.4302-1.3149-0.7720 ( 4156 PWs) bands (ev): -7.2968 -7.2968 -7.1472 -7.1472 -6.8229 -6.8229 -5.1355 -5.1355 -4.8451 -4.8451 -4.4367 -4.4367 -3.4751 -3.4751 0.3857 0.3857 1.4072 1.4072 1.8208 1.8208 2.2604 2.2604 2.4583 2.4583 2.6136 2.6136 2.8399 2.8399 3.6858 3.6858 3.8768 3.8768 4.0877 4.0877 4.6556 4.6556 5.1896 5.1896 6.6631 6.6631 7.3840 7.3840 7.6335 7.6335 8.1764 8.1764 k = 0.4419-1.3504-0.7929 ( 4158 PWs) bands (ev): -7.2506 -7.2506 -7.1255 -7.1255 -6.8370 -6.8370 -5.1035 -5.1035 -4.8765 -4.8765 -4.4518 -4.4518 -3.5153 -3.5153 0.3531 0.3531 1.4431 1.4431 1.8066 1.8066 2.2451 2.2451 2.4345 2.4345 2.5435 2.5435 2.8159 2.8159 3.7010 3.7010 3.8577 3.8577 4.0847 4.0847 4.6849 4.6849 5.1705 5.1705 6.6603 6.6603 7.3836 7.3836 7.5872 7.5872 8.1687 8.1687 k = 0.4535-1.3859-0.8137 ( 4164 PWs) bands (ev): -7.2073 -7.2073 -7.1074 -7.1074 -6.8531 -6.8531 -5.0757 -5.0757 -4.9050 -4.9050 -4.4617 -4.4617 -3.5508 -3.5508 0.3259 0.3259 1.4818 1.4818 1.7936 1.7936 2.2320 2.2320 2.4003 2.4003 2.4913 2.4913 2.7984 2.7984 3.7156 3.7156 3.8397 3.8397 4.0823 4.0823 4.7124 4.7124 5.1539 5.1539 6.6566 6.6566 7.3837 7.3837 7.5455 7.5455 8.1631 8.1631 k = 0.4651-1.4215-0.8346 ( 4163 PWs) bands (ev): -7.1683 -7.1683 -7.0934 -7.0934 -6.8704 -6.8704 -5.0517 -5.0517 -4.9304 -4.9304 -4.4674 -4.4674 -3.5802 -3.5802 0.3044 0.3044 1.5207 1.5207 1.7815 1.7815 2.2209 2.2209 2.3545 2.3545 2.4631 2.4631 2.7856 2.7856 3.7297 3.7297 3.8229 3.8229 4.0803 4.0803 4.7365 4.7365 5.1403 5.1403 6.6526 6.6526 7.3844 7.3844 7.5104 7.5104 8.1591 8.1591 k = 0.4767-1.4570-0.8555 ( 4167 PWs) bands (ev): -7.1351 -7.1351 -7.0840 -7.0840 -6.8869 -6.8869 -5.0306 -5.0306 -4.9531 -4.9531 -4.4702 -4.4702 -3.6024 -3.6024 0.2889 0.2889 1.5558 1.5558 1.7704 1.7704 2.2115 2.2115 2.3118 2.3118 2.4491 2.4491 2.7768 2.7768 3.7432 3.7432 3.8073 3.8073 4.0790 4.0790 4.7553 4.7553 5.1300 5.1300 6.6491 6.6491 7.3859 7.3859 7.4835 7.4835 8.1565 8.1565 k = 0.4884-1.4925-0.8763 ( 4168 PWs) bands (ev): -7.1109 -7.1109 -7.0797 -7.0797 -6.8996 -6.8996 -5.0116 -5.0116 -4.9735 -4.9735 -4.4712 -4.4712 -3.6162 -3.6162 0.2796 0.2796 1.5816 1.5816 1.7616 1.7616 2.2040 2.2040 2.2837 2.2837 2.4423 2.4423 2.7717 2.7717 3.7555 3.7555 3.7936 3.7936 4.0781 4.0781 4.7674 4.7674 5.1234 5.1234 6.6467 6.6467 7.3876 7.3876 7.4661 7.4661 8.1551 8.1551 k = 0.5000-1.5281-0.8972 ( 4164 PWs) bands (ev): -7.1011 -7.1011 -7.0794 -7.0794 -6.9045 -6.9045 -4.9963 -4.9963 -4.9892 -4.9892 -4.4714 -4.4714 -3.6209 -3.6209 0.2764 0.2764 1.5913 1.5913 1.7580 1.7580 2.2009 2.2009 2.2743 2.2743 2.4402 2.4402 2.7700 2.7700 3.7623 3.7623 3.7864 3.7864 4.0778 4.0778 4.7716 4.7716 5.1212 5.1212 6.6459 6.6459 7.3884 7.3884 7.4600 7.4600 8.1546 8.1546 k = 0.5000-1.5281-0.8972 ( 4164 PWs) bands (ev): -7.1011 -7.1011 -7.0794 -7.0794 -6.9045 -6.9045 -4.9963 -4.9963 -4.9892 -4.9892 -4.4714 -4.4714 -3.6209 -3.6209 0.2764 0.2764 1.5913 1.5913 1.7580 1.7580 2.2009 2.2009 2.2743 2.2743 2.4402 2.4402 2.7700 2.7700 3.7623 3.7623 3.7864 3.7864 4.0778 4.0778 4.7716 4.7716 5.1212 5.1212 6.6459 6.6459 7.3884 7.3884 7.4600 7.4600 8.1546 8.1546 k = 0.5000-1.5068-0.9335 ( 4168 PWs) bands (ev): -7.1005 -7.1005 -7.0788 -7.0788 -6.9039 -6.9039 -4.9964 -4.9964 -4.9881 -4.9881 -4.4728 -4.4728 -3.6219 -3.6219 0.2773 0.2773 1.5906 1.5906 1.7550 1.7550 2.1950 2.1950 2.2593 2.2593 2.4625 2.4625 2.7706 2.7706 3.7265 3.7265 3.7852 3.7852 4.1058 4.1058 4.7700 4.7700 5.1327 5.1327 6.6399 6.6399 7.3591 7.3591 7.4724 7.4724 8.1768 8.1768 k = 0.5000-1.4854-0.9698 ( 4162 PWs) bands (ev): -7.0988 -7.0988 -7.0771 -7.0771 -6.9021 -6.9021 -4.9966 -4.9966 -4.9848 -4.9848 -4.4770 -4.4770 -3.6248 -3.6248 0.2801 0.2801 1.5881 1.5881 1.7463 1.7463 2.1704 2.1704 2.2387 2.2387 2.5118 2.5118 2.7721 2.7721 3.6524 3.6524 3.7697 3.7697 4.1690 4.1690 4.7675 4.7675 5.1641 5.1641 6.6226 6.6226 7.2971 7.2971 7.4899 7.4899 8.2376 8.2376 k = 0.5000-1.4641-1.0061 ( 4156 PWs) bands (ev): -7.0958 -7.0958 -7.0743 -7.0743 -6.8991 -6.8991 -4.9969 -4.9969 -4.9793 -4.9793 -4.4839 -4.4839 -3.6297 -3.6297 0.2847 0.2847 1.5834 1.5834 1.7327 1.7327 2.1270 2.1270 2.2306 2.2306 2.5689 2.5689 2.7743 2.7743 3.5640 3.5640 3.7440 3.7440 4.2412 4.2412 4.7688 4.7688 5.2086 5.2086 6.5952 6.5952 7.2231 7.2231 7.5052 7.5052 8.3241 8.3241 k = 0.5000-1.4428-1.0424 ( 4158 PWs) bands (ev): -7.0918 -7.0918 -7.0703 -7.0703 -6.8950 -6.8950 -4.9973 -4.9973 -4.9716 -4.9716 -4.4934 -4.4934 -3.6366 -3.6366 0.2910 0.2910 1.5757 1.5757 1.7151 1.7151 2.0776 2.0776 2.2293 2.2293 2.6221 2.6221 2.7796 2.7796 3.4709 3.4709 3.7145 3.7145 4.3091 4.3091 4.7781 4.7781 5.2583 5.2583 6.5596 6.5596 7.1479 7.1479 7.5203 7.5203 8.4000 8.4000 k = 0.5000-1.4215-1.0787 ( 4150 PWs) bands (ev): -7.0866 -7.0866 -7.0653 -7.0653 -6.8897 -6.8897 -4.9979 -4.9979 -4.9619 -4.9619 -4.5055 -4.5055 -3.6454 -3.6454 0.2992 0.2992 1.5642 1.5642 1.6949 1.6949 2.0291 2.0291 2.2314 2.2314 2.6551 2.6551 2.7985 2.7985 3.3773 3.3773 3.6873 3.6873 4.3656 4.3656 4.7979 4.7979 5.3060 5.3060 6.5188 6.5188 7.0795 7.0795 7.5375 7.5375 8.4158 8.4158 k = 0.5000-1.4002-1.1150 ( 4146 PWs) bands (ev): -7.0804 -7.0804 -7.0592 -7.0592 -6.8834 -6.8834 -4.9986 -4.9986 -4.9501 -4.9501 -4.5199 -4.5199 -3.6563 -3.6563 0.3091 0.3091 1.5480 1.5480 1.6724 1.6724 1.9847 1.9847 2.2358 2.2358 2.6540 2.6540 2.8398 2.8398 3.2864 3.2864 3.6675 3.6675 4.4074 4.4074 4.8274 4.8274 5.3452 5.3452 6.4763 6.4763 7.0245 7.0245 7.5578 7.5578 8.4284 8.4284 k = 0.5000-1.3789-1.1513 ( 4138 PWs) bands (ev): -7.0733 -7.0733 -7.0522 -7.0522 -6.8760 -6.8760 -4.9995 -4.9995 -4.9364 -4.9364 -4.5366 -4.5366 -3.6692 -3.6692 0.3206 0.3206 1.5273 1.5273 1.6476 1.6476 1.9468 1.9468 2.2420 2.2420 2.6265 2.6265 2.8893 2.8893 3.2042 3.2042 3.6585 3.6585 4.4348 4.4348 4.8626 4.8626 5.3701 5.3701 6.4361 6.4361 6.9880 6.9880 7.5823 7.5823 8.4367 8.4367 k = 0.5000-1.3575-1.1876 ( 4142 PWs) bands (ev): -7.0652 -7.0652 -7.0442 -7.0442 -6.8677 -6.8677 -5.0006 -5.0006 -4.9211 -4.9211 -4.5551 -4.5551 -3.6841 -3.6841 0.3338 0.3338 1.5027 1.5027 1.6193 1.6193 1.9170 1.9170 2.2491 2.2491 2.5838 2.5838 2.9186 2.9186 3.1492 3.1492 3.6616 3.6616 4.4500 4.4500 4.8969 4.8969 5.3768 5.3768 6.4027 6.4027 6.9737 6.9737 7.6113 7.6113 8.4384 8.4384 k = 0.5000-1.3362-1.2240 ( 4142 PWs) bands (ev): -7.0562 -7.0562 -7.0353 -7.0353 -6.8584 -6.8584 -5.0019 -5.0019 -4.9042 -4.9042 -4.5750 -4.5750 -3.7011 -3.7011 0.3486 0.3486 1.4753 1.4753 1.5871 1.5871 1.8959 1.8959 2.2556 2.2556 2.5332 2.5332 2.8922 2.8922 3.1536 3.1536 3.6764 3.6764 4.4554 4.4554 4.9236 4.9236 5.3635 5.3635 6.3798 6.3798 6.9831 6.9831 7.6450 7.6450 8.4313 8.4313 k = 0.5000-1.3149-1.2603 ( 4136 PWs) bands (ev): -7.0466 -7.0466 -7.0255 -7.0255 -6.8484 -6.8484 -5.0033 -5.0033 -4.8864 -4.8864 -4.5957 -4.5957 -3.7202 -3.7202 0.3648 0.3648 1.4461 1.4461 1.5516 1.5516 1.8827 1.8827 2.2582 2.2582 2.4821 2.4821 2.8222 2.8222 3.2040 3.2040 3.7014 3.7014 4.4528 4.4528 4.9375 4.9375 5.3316 5.3316 6.3704 6.3704 7.0151 7.0151 7.6836 7.6836 8.4143 8.4143 k = 0.5000-1.2936-1.2966 ( 4140 PWs) bands (ev): -7.0362 -7.0362 -7.0151 -7.0151 -6.8376 -6.8376 -5.0050 -5.0050 -4.8684 -4.8684 -4.6162 -4.6162 -3.7414 -3.7414 0.3824 0.3824 1.4153 1.4153 1.5145 1.5145 1.8754 1.8754 2.2502 2.2502 2.4400 2.4400 2.7385 2.7385 3.2707 3.2707 3.7349 3.7349 4.4426 4.4426 4.9354 4.9354 5.2852 5.2852 6.3758 6.3758 7.0670 7.0670 7.7266 7.7266 8.3876 8.3876 k = 0.5000-1.2723-1.3329 ( 4144 PWs) bands (ev): -7.0254 -7.0254 -7.0040 -7.0040 -6.8264 -6.8264 -5.0070 -5.0070 -4.8516 -4.8516 -4.6349 -4.6349 -3.7648 -3.7648 0.4013 0.4013 1.3828 1.3828 1.4783 1.4783 1.8716 1.8716 2.2241 2.2241 2.4169 2.4169 2.6535 2.6535 3.3424 3.3424 3.7753 3.7753 4.4247 4.4247 4.9157 4.9157 5.2299 5.2299 6.3953 6.3953 7.1347 7.1347 7.7730 7.7730 8.3529 8.3529 k = 0.5000-1.2509-1.3692 ( 4146 PWs) bands (ev): -7.0141 -7.0141 -6.9924 -6.9924 -6.8147 -6.8147 -5.0091 -5.0091 -4.8383 -4.8383 -4.6491 -4.6491 -3.7902 -3.7902 0.4213 0.4213 1.3481 1.3481 1.4455 1.4455 1.8688 1.8688 2.1811 2.1811 2.4123 2.4123 2.5736 2.5736 3.4151 3.4151 3.8212 3.8212 4.3985 4.3985 4.8786 4.8786 5.1723 5.1723 6.4270 6.4270 7.2139 7.2139 7.8206 7.8206 8.3141 8.3141 k = 0.5000-1.2296-1.4055 ( 4152 PWs) bands (ev): -7.0026 -7.0026 -6.9803 -6.9803 -6.8028 -6.8028 -5.0113 -5.0113 -4.8323 -4.8323 -4.6549 -4.6549 -3.8178 -3.8178 0.4422 0.4422 1.3108 1.3108 1.4176 1.4176 1.8638 1.8638 2.1307 2.1307 2.4125 2.4125 2.5085 2.5085 3.4868 3.4868 3.8715 3.8715 4.3634 4.3634 4.8251 4.8251 5.1183 5.1183 6.4679 6.4679 7.3004 7.3004 7.8647 7.8647 8.2777 8.2777 k = 0.5000-1.2083-1.4418 ( 4160 PWs) bands (ev): -6.9909 -6.9909 -6.9681 -6.9681 -6.7908 -6.7908 -5.0137 -5.0137 -4.8361 -4.8361 -4.6493 -4.6493 -3.8475 -3.8475 0.4638 0.4638 1.2717 1.2717 1.3952 1.3952 1.8531 1.8531 2.0805 2.0805 2.3902 2.3902 2.4828 2.4828 3.5559 3.5559 3.9250 3.9250 4.3194 4.3194 4.7578 4.7578 5.0722 5.0722 6.5149 6.5149 7.3895 7.3895 7.8973 7.8973 8.2549 8.2549 k = 0.5000-1.1870-1.4781 ( 4162 PWs) bands (ev): -6.9791 -6.9791 -6.9557 -6.9557 -6.7791 -6.7791 -5.0161 -5.0161 -4.8493 -4.8493 -4.6324 -4.6324 -3.8793 -3.8793 0.4858 0.4858 1.2318 1.2318 1.3779 1.3779 1.8331 1.8331 2.0352 2.0352 2.3479 2.3479 2.4945 2.4945 3.6210 3.6210 3.9796 3.9796 4.2686 4.2686 4.6803 4.6803 5.0359 5.0359 6.5651 6.5651 7.4750 7.4750 7.9099 7.9099 8.2589 8.2589 k = 0.5000-1.1657-1.5144 ( 4164 PWs) bands (ev): -6.9676 -6.9676 -6.9433 -6.9433 -6.7679 -6.7679 -5.0184 -5.0184 -4.8687 -4.8687 -4.6069 -4.6069 -3.9132 -3.9132 0.5078 0.5078 1.1927 1.1927 1.3648 1.3648 1.8020 1.8020 1.9963 1.9963 2.3122 2.3122 2.5180 2.5180 3.6802 3.6802 4.0303 4.0303 4.2171 4.2171 4.5973 4.5973 5.0089 5.0089 6.6162 6.6162 7.5456 7.5456 7.9079 7.9079 8.2937 8.2937 k = 0.5000-1.1444-1.5507 ( 4162 PWs) bands (ev): -6.9563 -6.9563 -6.9313 -6.9313 -6.7573 -6.7573 -5.0206 -5.0206 -4.8913 -4.8913 -4.5755 -4.5755 -3.9491 -3.9491 0.5295 0.5295 1.1555 1.1555 1.3551 1.3551 1.7611 1.7611 1.9633 1.9633 2.2908 2.2908 2.5460 2.5460 3.7300 3.7300 4.0563 4.0563 4.1878 4.1878 4.5137 4.5137 4.9903 4.9903 6.6666 6.6666 7.5815 7.5815 7.9176 7.9176 8.3508 8.3508 k = 0.5000-1.1230-1.5870 ( 4160 PWs) bands (ev): -6.9455 -6.9455 -6.9198 -6.9198 -6.7478 -6.7478 -5.0224 -5.0224 -4.9150 -4.9150 -4.5398 -4.5398 -3.9870 -3.9870 0.5501 0.5501 1.1213 1.1213 1.3479 1.3479 1.7145 1.7145 1.9354 1.9354 2.2836 2.2836 2.5764 2.5764 3.7637 3.7637 4.0315 4.0315 4.2102 4.2102 4.4368 4.4368 4.9787 4.9787 6.7148 6.7148 7.5686 7.5686 7.9607 7.9607 8.4197 8.4197 k = 0.5000-1.1017-1.6233 ( 4164 PWs) bands (ev): -6.9355 -6.9355 -6.9090 -6.9090 -6.7395 -6.7395 -5.0239 -5.0239 -4.9382 -4.9382 -4.5009 -4.5009 -4.0270 -4.0270 0.5691 0.5691 1.0915 1.0915 1.3417 1.3417 1.6666 1.6666 1.9125 1.9125 2.2883 2.2883 2.6082 2.6082 3.7688 3.7688 3.9919 3.9919 4.2462 4.2462 4.3841 4.3841 4.9728 4.9728 6.7600 6.7600 7.5191 7.5191 8.0284 8.0284 8.4927 8.4927 k = 0.5000-1.0804-1.6596 ( 4162 PWs) bands (ev): -6.9264 -6.9264 -6.8992 -6.8992 -6.7327 -6.7327 -5.0247 -5.0247 -4.9599 -4.9599 -4.4594 -4.4594 -4.0688 -4.0688 0.5855 0.5855 1.0670 1.0670 1.3345 1.3345 1.6223 1.6223 1.8954 1.8954 2.3017 2.3017 2.6406 2.6406 3.7357 3.7357 3.9612 3.9612 4.2481 4.2481 4.3921 4.3921 4.9717 4.9717 6.8016 6.8016 7.4513 7.4513 8.1020 8.1020 8.5639 8.5639 k = 0.5000-1.0591-1.6960 ( 4162 PWs) bands (ev): -6.9186 -6.9186 -6.8907 -6.8907 -6.7275 -6.7275 -5.0246 -5.0246 -4.9791 -4.9791 -4.4158 -4.4158 -4.1123 -4.1123 0.5988 0.5988 1.0490 1.0490 1.3235 1.3235 1.5864 1.5864 1.8846 1.8846 2.3215 2.3215 2.6729 2.6729 3.6740 3.6740 3.9268 3.9268 4.2371 4.2371 4.4449 4.4449 4.9745 4.9745 6.8388 6.8388 7.3754 7.3754 8.1670 8.1670 8.6274 8.6274 k = 0.5000-1.0378-1.7323 ( 4162 PWs) bands (ev): -6.9125 -6.9125 -6.8840 -6.8840 -6.7240 -6.7240 -5.0236 -5.0236 -4.9952 -4.9952 -4.3705 -4.3705 -4.1574 -4.1574 0.6081 0.6081 1.0380 1.0380 1.3063 1.3063 1.5631 1.5631 1.8805 1.8805 2.3457 2.3457 2.7044 2.7044 3.5993 3.5993 3.8761 3.8761 4.2455 4.2455 4.5091 4.5091 4.9807 4.9807 6.8711 6.8711 7.2972 7.2972 8.2110 8.2110 8.6790 8.6790 k = 0.5000-1.0165-1.7686 ( 4168 PWs) bands (ev): -6.9082 -6.9082 -6.8794 -6.8794 -6.7221 -6.7221 -5.0214 -5.0214 -5.0074 -5.0074 -4.3247 -4.3247 -4.2029 -4.2029 0.6136 0.6136 1.0336 1.0336 1.2828 1.2828 1.5542 1.5542 1.8829 1.8829 2.3726 2.3726 2.7339 2.7339 3.5204 3.5204 3.8135 3.8135 4.2712 4.2712 4.5755 4.5755 4.9902 4.9902 6.8971 6.8971 7.2206 7.2206 8.2241 8.2241 8.7230 8.7230 k = 0.5000-0.9951-1.8049 ( 4170 PWs) bands (ev): -6.9064 -6.9064 -6.8775 -6.8775 -6.7215 -6.7215 -5.0187 -5.0187 -5.0142 -5.0142 -4.2878 -4.2878 -4.2396 -4.2396 0.6155 0.6155 1.0345 1.0345 1.2567 1.2567 1.5582 1.5582 1.8918 1.8918 2.4011 2.4011 2.7601 2.7601 3.4421 3.4421 3.7475 3.7475 4.3059 4.3059 4.6409 4.6409 5.0029 5.0029 6.9139 6.9139 7.1505 7.1505 8.2056 8.2056 8.7688 8.7688 k = 0.5000-0.9738-1.8412 ( 4172 PWs) bands (ev): -6.9074 -6.9074 -6.8789 -6.8789 -6.7217 -6.7217 -5.0196 -5.0196 -5.0110 -5.0110 -4.3135 -4.3135 -4.2139 -4.2139 0.6149 0.6149 1.0374 1.0374 1.2337 1.2337 1.5722 1.5722 1.9068 1.9068 2.4298 2.4298 2.7817 2.7817 3.3670 3.3670 3.6845 3.6845 4.3446 4.3446 4.7031 4.7031 5.0191 5.0191 6.9150 6.9150 7.0949 7.0949 8.1633 8.1633 8.8173 8.8173 k = 0.8276-0.9216-1.7476 ( 4172 PWs) bands (ev): -6.9074 -6.9074 -6.8789 -6.8789 -6.7217 -6.7217 -5.0196 -5.0196 -5.0110 -5.0110 -4.3135 -4.3135 -4.2139 -4.2139 0.6149 0.6149 1.0374 1.0374 1.2337 1.2337 1.5722 1.5722 1.9068 1.9068 2.4298 2.4298 2.7817 2.7817 3.3670 3.3670 3.6845 3.6845 4.3446 4.3446 4.7031 4.7031 5.0191 5.0191 6.9150 6.9150 7.0949 7.0949 8.1633 8.1633 8.8173 8.8173 k = 0.8209-0.9011-1.7110 ( 4166 PWs) bands (ev): -6.9121 -6.9121 -6.8838 -6.8838 -6.7222 -6.7222 -5.0175 -5.0175 -5.0035 -5.0035 -4.3635 -4.3635 -4.1640 -4.1640 0.6129 0.6129 1.0374 1.0374 1.2205 1.2205 1.5940 1.5940 1.9277 1.9277 2.4575 2.4575 2.7968 2.7968 3.2971 3.2971 3.6284 3.6284 4.3846 4.3846 4.7608 4.7608 5.0395 5.0395 6.8913 6.8913 7.0638 7.0638 8.1065 8.1065 8.8632 8.8632 k = 0.8143-0.8807-1.6743 ( 4162 PWs) bands (ev): -6.9212 -6.9212 -6.8922 -6.8922 -6.7223 -6.7223 -5.0102 -5.0102 -4.9937 -4.9937 -4.4170 -4.4170 -4.1109 -4.1109 0.6109 0.6109 1.0305 1.0305 1.2223 1.2223 1.6214 1.6214 1.9540 1.9540 2.4823 2.4823 2.8037 2.8037 3.2350 3.2350 3.5835 3.5835 4.4239 4.4239 4.8119 4.8119 5.0642 5.0642 6.8465 6.8465 7.0551 7.0551 8.0428 8.0428 8.9005 8.9005 k = 0.8076-0.8603-1.6377 ( 4154 PWs) bands (ev): -6.9360 -6.9360 -6.9036 -6.9036 -6.7220 -6.7220 -4.9976 -4.9976 -4.9815 -4.9815 -4.4723 -4.4723 -4.0563 -4.0563 0.6097 0.6097 1.0173 1.0173 1.2390 1.2390 1.6531 1.6531 1.9850 1.9850 2.5018 2.5018 2.8020 2.8020 3.1826 3.1826 3.5524 3.5524 4.4613 4.4613 4.8551 4.8551 5.0933 5.0933 6.7948 6.7948 7.0559 7.0559 7.9771 7.9771 8.9266 8.9266 k = 0.8009-0.8398-1.6011 ( 4154 PWs) bands (ev): -6.9569 -6.9569 -6.9173 -6.9173 -6.7210 -6.7210 -4.9797 -4.9797 -4.9669 -4.9669 -4.5291 -4.5291 -4.0005 -4.0005 0.6102 0.6102 1.0016 1.0016 1.2668 1.2668 1.6882 1.6882 2.0201 2.0201 2.5136 2.5136 2.7925 2.7925 3.1415 3.1415 3.5364 3.5364 4.4958 4.4958 4.8903 4.8903 5.1256 5.1256 6.7453 6.7453 7.0587 7.0587 7.9123 7.9123 8.9413 8.9413 k = 0.7942-0.8194-1.5645 ( 4160 PWs) bands (ev): -6.9837 -6.9837 -6.9333 -6.9333 -6.7195 -6.7195 -4.9567 -4.9567 -4.9495 -4.9495 -4.5872 -4.5872 -3.9439 -3.9439 0.6129 0.6129 0.9871 0.9871 1.3020 1.3020 1.7255 1.7255 2.0585 2.0585 2.5156 2.5156 2.7779 2.7779 3.1134 3.1134 3.5351 3.5351 4.5266 4.5266 4.9184 4.9184 5.1589 5.1589 6.7025 6.7025 7.0602 7.0602 7.8506 7.8506 8.9457 8.9457 k = 0.7875-0.7990-1.5279 ( 4166 PWs) bands (ev): -7.0159 -7.0159 -6.9517 -6.9517 -6.7179 -6.7179 -4.9311 -4.9311 -4.9272 -4.9272 -4.6464 -4.6464 -3.8865 -3.8865 0.6180 0.6180 0.9762 0.9762 1.3421 1.3421 1.7643 1.7643 2.0992 2.0992 2.5076 2.5076 2.7608 2.7608 3.0998 3.0998 3.5465 3.5465 4.5530 4.5530 4.9407 4.9407 5.1910 5.1910 6.6687 6.6687 7.0593 7.0593 7.7934 7.7934 8.9410 8.9410 k = 0.7808-0.7785-1.4912 ( 4162 PWs) bands (ev): -7.0525 -7.0525 -6.9728 -6.9728 -6.7164 -6.7164 -4.9081 -4.9081 -4.8948 -4.8948 -4.7065 -4.7065 -3.8287 -3.8287 0.6257 0.6257 0.9705 0.9705 1.3854 1.3854 1.8034 1.8034 2.1407 2.1407 2.4920 2.4920 2.7433 2.7433 3.1011 3.1011 3.5680 3.5680 4.5744 4.5744 4.9584 4.9584 5.2196 5.2196 6.6456 6.6456 7.0555 7.0555 7.7419 7.7419 8.9281 8.9281 k = 0.7741-0.7581-1.4546 ( 4158 PWs) bands (ev): -7.0930 -7.0930 -6.9964 -6.9964 -6.7152 -6.7152 -4.8833 -4.8833 -4.8575 -4.8575 -4.7673 -4.7673 -3.7704 -3.7704 0.6360 0.6360 0.9709 0.9709 1.4306 1.4306 1.8417 1.8417 2.1810 2.1810 2.4732 2.4732 2.7281 2.7281 3.1162 3.1162 3.5971 3.5971 4.5903 4.5903 4.9720 4.9720 5.2435 5.2435 6.6339 6.6339 7.0488 7.0488 7.6970 7.6970 8.9077 8.9077 k = 0.7675-0.7377-1.4180 ( 4154 PWs) bands (ev): -7.1365 -7.1365 -7.0226 -7.0226 -6.7145 -6.7145 -4.8566 -4.8566 -4.8287 -4.8287 -4.8157 -4.8157 -3.7120 -3.7120 0.6491 0.6491 0.9777 0.9777 1.4766 1.4766 1.8779 1.8779 2.2171 2.2171 2.4568 2.4568 2.7188 2.7188 3.1425 3.1425 3.6317 3.6317 4.6002 4.6002 4.9819 4.9819 5.2624 5.2624 6.6337 6.6337 7.0392 7.0392 7.6592 7.6592 8.8803 8.8803 k = 0.7608-0.7172-1.3814 ( 4148 PWs) bands (ev): -7.1827 -7.1827 -7.0511 -7.0511 -6.7146 -6.7146 -4.8912 -4.8912 -4.8266 -4.8266 -4.7706 -4.7706 -3.6535 -3.6535 0.6648 0.6648 0.9914 0.9914 1.5223 1.5223 1.9107 1.9107 2.2447 2.2447 2.4488 2.4488 2.7195 2.7195 3.1775 3.1775 3.6699 3.6699 4.6039 4.6039 4.9879 4.9879 5.2770 5.2770 6.6442 6.6442 7.0271 7.0271 7.6292 7.6292 8.8465 8.8465 k = 0.7541-0.6968-1.3448 ( 4146 PWs) bands (ev): -7.2310 -7.2310 -7.0819 -7.0819 -6.7154 -6.7154 -4.9533 -4.9533 -4.7954 -4.7954 -4.7219 -4.7219 -3.5953 -3.5953 0.6835 0.6835 1.0117 1.0117 1.5664 1.5664 1.9395 1.9395 2.2606 2.2606 2.4543 2.4543 2.7337 2.7337 3.2189 3.2189 3.7105 3.7105 4.6014 4.6014 4.9897 4.9897 5.2883 5.2883 6.6642 6.6642 7.0127 7.0127 7.6072 7.6072 8.8071 8.8071 k = 0.7474-0.6764-1.3081 ( 4140 PWs) bands (ev): -7.2810 -7.2810 -7.1148 -7.1148 -6.7172 -6.7172 -5.0158 -5.0158 -4.7623 -4.7623 -4.6702 -4.6702 -3.5373 -3.5373 0.7052 0.7052 1.0385 1.0385 1.6075 1.6075 1.9641 1.9641 2.2653 2.2653 2.4746 2.4746 2.7627 2.7627 3.2652 3.2652 3.7523 3.7523 4.5929 4.5929 4.9868 4.9868 5.2980 5.2980 6.6913 6.6913 6.9967 6.9967 7.5933 7.5933 8.7630 8.7630 k = 0.7407-0.6559-1.2715 ( 4134 PWs) bands (ev): -7.3322 -7.3322 -7.1494 -7.1494 -6.7199 -6.7199 -5.0783 -5.0783 -4.7276 -4.7276 -4.6157 -4.6157 -3.4798 -3.4798 0.7302 0.7302 1.0713 1.0713 1.6441 1.6441 1.9855 1.9855 2.2642 2.2642 2.5071 2.5071 2.8060 2.8060 3.3152 3.3152 3.7945 3.7945 4.5788 4.5788 4.9790 4.9790 5.3078 5.3078 6.7229 6.7229 6.9804 6.9804 7.5876 7.5876 8.7152 8.7152 k = 0.7340-0.6355-1.2349 ( 4144 PWs) bands (ev): -7.3843 -7.3843 -7.1856 -7.1856 -6.7235 -6.7235 -5.1407 -5.1407 -4.6917 -4.6917 -4.5589 -4.5589 -3.4229 -3.4229 0.7587 0.7587 1.1096 1.1096 1.6751 1.6751 2.0053 2.0053 2.2633 2.2633 2.5486 2.5486 2.8611 2.8611 3.3680 3.3680 3.8364 3.8364 4.5598 4.5598 4.9663 4.9663 5.3186 5.3186 6.7546 6.7546 6.9660 6.9660 7.5899 7.5899 8.6646 8.6646 k = 0.7273-0.6151-1.1983 ( 4134 PWs) bands (ev): -7.4371 -7.4371 -7.2231 -7.2231 -6.7282 -6.7282 -5.2029 -5.2029 -4.6546 -4.6546 -4.5000 -4.5000 -3.3668 -3.3668 0.7908 0.7908 1.1527 1.1527 1.7000 1.7000 2.0242 2.0242 2.2675 2.2675 2.5970 2.5970 2.9256 2.9256 3.4231 3.4231 3.8773 3.8773 4.5368 4.5368 4.9490 4.9490 5.3315 5.3315 6.7805 6.7805 6.9579 6.9579 7.5995 7.5995 8.6117 8.6117 k = 0.7207-0.5946-1.1617 ( 4134 PWs) bands (ev): -7.4902 -7.4902 -7.2617 -7.2617 -6.7338 -6.7338 -5.2646 -5.2646 -4.6167 -4.6167 -4.4394 -4.4394 -3.3116 -3.3116 0.8267 0.8267 1.1999 1.1999 1.7198 1.7198 2.0420 2.0420 2.2803 2.2803 2.6507 2.6507 2.9972 2.9972 3.4800 3.4800 3.9167 3.9167 4.5111 4.5111 4.9276 4.9276 5.3468 5.3468 6.7922 6.7922 6.9625 6.9625 7.6158 7.6158 8.5569 8.5569 k = 0.7140-0.5742-1.1250 ( 4138 PWs) bands (ev): -7.5433 -7.5433 -7.3011 -7.3011 -6.7404 -6.7404 -5.3258 -5.3258 -4.5783 -4.5783 -4.3775 -4.3775 -3.2575 -3.2575 0.8664 0.8664 1.2506 1.2506 1.7363 1.7363 2.0584 2.0584 2.3038 2.3038 2.7084 2.7084 3.0738 3.0738 3.5384 3.5384 3.9542 3.9542 4.4839 4.4839 4.9030 4.9030 5.3647 5.3647 6.7862 6.7862 6.9820 6.9820 7.6377 7.6377 8.5005 8.5005 k = 0.7073-0.5538-1.0884 ( 4138 PWs) bands (ev): -7.5963 -7.5963 -7.3412 -7.3412 -6.7479 -6.7479 -5.3863 -5.3863 -4.5395 -4.5395 -4.3144 -4.3144 -3.2044 -3.2044 0.9098 0.9098 1.3037 1.3037 1.7518 1.7518 2.0737 2.0737 2.3379 2.3379 2.7688 2.7688 3.1540 3.1540 3.5979 3.5979 3.9892 3.9892 4.4569 4.4569 4.8756 4.8756 5.3849 5.3849 6.7668 6.7668 7.0104 7.0104 7.6640 7.6640 8.4425 8.4425 k = 0.7006-0.5333-1.0518 ( 4138 PWs) bands (ev): -7.6489 -7.6489 -7.3817 -7.3817 -6.7563 -6.7563 -5.4461 -5.4461 -4.5007 -4.5007 -4.2506 -4.2506 -3.1526 -3.1526 0.9569 0.9569 1.3586 1.3586 1.7686 1.7686 2.0898 2.0898 2.3809 2.3809 2.8310 2.8310 3.2363 3.2363 3.6580 3.6580 4.0217 4.0217 4.4316 4.4316 4.8465 4.8465 5.4075 5.4075 6.7396 6.7396 7.0409 7.0409 7.6930 7.6930 8.3828 8.3828 k = 0.6939-0.5129-1.0152 ( 4136 PWs) bands (ev): -7.7010 -7.7010 -7.4223 -7.4223 -6.7655 -6.7655 -5.5048 -5.5048 -4.4620 -4.4620 -4.1863 -4.1863 -3.1021 -3.1021 1.0074 1.0074 1.4145 1.4145 1.7883 1.7883 2.1086 2.1086 2.4305 2.4305 2.8939 2.8939 3.3192 3.3192 3.7181 3.7181 4.0517 4.0517 4.4101 4.4101 4.8163 4.8163 5.4322 5.4322 6.7077 6.7077 7.0691 7.0691 7.7227 7.7227 8.3221 8.3221 k = 0.6872-0.4925-0.9786 ( 4134 PWs) bands (ev): -7.7523 -7.7523 -7.4630 -7.4630 -6.7754 -6.7754 -5.5626 -5.5626 -4.4238 -4.4238 -4.1218 -4.1218 -3.0530 -3.0530 1.0610 1.0610 1.4708 1.4708 1.8125 1.8125 2.1320 2.1320 2.4849 2.4849 2.9568 2.9568 3.4007 3.4007 3.7771 3.7771 4.0797 4.0797 4.3943 4.3943 4.7857 4.7857 5.4587 5.4587 6.6729 6.6729 7.0920 7.0920 7.7505 7.7505 8.2615 8.2615 k = 0.6805-0.4720-0.9419 ( 4124 PWs) bands (ev): -7.8028 -7.8028 -7.5036 -7.5036 -6.7861 -6.7861 -5.6191 -5.6191 -4.3861 -4.3861 -4.0576 -4.0576 -3.0051 -3.0051 1.1174 1.1174 1.5273 1.5273 1.8416 1.8416 2.1615 2.1615 2.5425 2.5425 3.0191 3.0191 3.4788 3.4788 3.8334 3.8334 4.1078 4.1078 4.3862 4.3862 4.7557 4.7557 5.4867 5.4867 6.6360 6.6360 7.1078 7.1078 7.7725 7.7725 8.2036 8.2036 k = 0.6738-0.4516-0.9053 ( 4130 PWs) bands (ev): -7.8523 -7.8523 -7.5438 -7.5438 -6.7973 -6.7973 -5.6744 -5.6744 -4.3493 -4.3493 -3.9939 -3.9939 -2.9586 -2.9586 1.1760 1.1760 1.5844 1.5844 1.8758 1.8758 2.1979 2.1979 2.6023 2.6023 3.0803 3.0803 3.5504 3.5504 3.8846 3.8846 4.1396 4.1396 4.3868 4.3868 4.7273 4.7273 5.5159 5.5159 6.5978 6.5978 7.1153 7.1153 7.7835 7.7835 8.1531 8.1531 k = 0.6672-0.4311-0.8687 ( 4130 PWs) bands (ev): -7.9006 -7.9006 -7.5835 -7.5835 -6.8091 -6.8091 -5.7283 -5.7283 -4.3134 -4.3134 -3.9311 -3.9311 -2.9133 -2.9133 1.2365 1.2365 1.6426 1.6426 1.9148 1.9148 2.2415 2.2415 2.6635 2.6635 3.1398 3.1398 3.6121 3.6121 3.9288 3.9288 4.1792 4.1792 4.3968 4.3968 4.7017 4.7017 5.5458 5.5458 6.5586 6.5586 7.1136 7.1136 7.7768 7.7768 8.1163 8.1163 k = 0.6605-0.4107-0.8321 ( 4130 PWs) bands (ev): -7.9478 -7.9478 -7.6227 -7.6227 -6.8212 -6.8212 -5.7807 -5.7807 -4.2787 -4.2787 -3.8695 -3.8695 -2.8692 -2.8692 1.2985 1.2985 1.7030 1.7030 1.9581 1.9581 2.2921 2.2921 2.7257 2.7257 3.1972 3.1972 3.6607 3.6607 3.9659 3.9659 4.2284 4.2284 4.4163 4.4163 4.6805 4.6805 5.5761 5.5761 6.5187 6.5187 7.1025 7.1025 7.7480 7.7480 8.0973 8.0973 k = 0.6538-0.3903-0.7955 ( 4134 PWs) bands (ev): -7.9936 -7.9936 -7.6610 -7.6610 -6.8338 -6.8338 -5.8317 -5.8317 -4.2453 -4.2453 -3.8094 -3.8094 -2.8262 -2.8262 1.3616 1.3616 1.7666 1.7666 2.0053 2.0053 2.3487 2.3487 2.7886 2.7886 3.2523 3.2523 3.6942 3.6942 3.9984 3.9984 4.2832 4.2832 4.4468 4.4468 4.6664 4.6664 5.6063 5.6063 6.4786 6.4786 7.0823 7.0823 7.6996 7.6996 8.0939 8.0939 k = 0.6471-0.3698-0.7588 ( 4124 PWs) bands (ev): -8.0379 -8.0379 -7.6985 -7.6985 -6.8465 -6.8465 -5.8809 -5.8809 -4.2133 -4.2133 -3.7512 -3.7512 -2.7841 -2.7841 1.4257 1.4257 1.8340 1.8340 2.0561 2.0561 2.4100 2.4100 2.8520 2.8520 3.3048 3.3048 3.7137 3.7137 4.0280 4.0280 4.3335 4.3335 4.4920 4.4920 4.6626 4.6626 5.6359 5.6359 6.4384 6.4384 7.0535 7.0535 7.6382 7.6382 8.0992 8.0992 k = 0.6404-0.3494-0.7222 ( 4124 PWs) bands (ev): -8.0808 -8.0808 -7.7349 -7.7349 -6.8595 -6.8595 -5.9285 -5.9285 -4.1828 -4.1828 -3.6953 -3.6953 -2.7429 -2.7429 1.4909 1.4909 1.9054 1.9054 2.1107 2.1107 2.4741 2.4741 2.9161 2.9161 3.3546 3.3546 3.7227 3.7227 4.0548 4.0548 4.3687 4.3687 4.5551 4.5551 4.6733 4.6733 5.6644 5.6644 6.3987 6.3987 7.0172 7.0172 7.5700 7.5700 8.1074 8.1074 k = 0.6337-0.3290-0.6856 ( 4122 PWs) bands (ev): -8.1220 -8.1220 -7.7703 -7.7703 -6.8725 -6.8725 -5.9742 -5.9742 -4.1539 -4.1539 -3.6418 -3.6418 -2.7024 -2.7024 1.5574 1.5574 1.9806 1.9806 2.1693 2.1693 2.5394 2.5394 2.9809 2.9809 3.4016 3.4016 3.7254 3.7254 4.0778 4.0778 4.3868 4.3868 4.6291 4.6291 4.7040 4.7040 5.6910 5.6910 6.3597 6.3597 6.9747 6.9747 7.4991 7.4991 8.1142 8.1142 k = 0.6270-0.3085-0.6490 ( 4124 PWs) bands (ev): -8.1616 -8.1616 -7.8044 -7.8044 -6.8855 -6.8855 -6.0182 -6.0182 -4.1267 -4.1267 -3.5912 -3.5912 -2.6625 -2.6625 1.6255 1.6255 2.0589 2.0589 2.2323 2.2323 2.6040 2.6040 3.0463 3.0463 3.4459 3.4459 3.7255 3.7255 4.0964 4.0964 4.3931 4.3931 4.6930 4.6930 4.7663 4.7663 5.7150 5.7150 6.3222 6.3222 6.9276 6.9276 7.4281 7.4281 8.1165 8.1165 k = 0.6204-0.2881-0.6124 ( 4132 PWs) bands (ev): -8.1995 -8.1995 -7.8373 -7.8373 -6.8984 -6.8984 -6.0602 -6.0602 -4.1012 -4.1012 -3.5437 -3.5437 -2.6232 -2.6232 1.6956 1.6956 2.1389 2.1389 2.3000 2.3000 2.6665 2.6665 3.1121 3.1121 3.4874 3.4874 3.7261 3.7261 4.1106 4.1106 4.3933 4.3933 4.7412 4.7412 4.8565 4.8565 5.7357 5.7357 6.2870 6.2870 6.8779 6.8779 7.3584 7.3584 8.1117 8.1117 k = 0.6137-0.2677-0.5757 ( 4136 PWs) bands (ev): -8.2357 -8.2357 -7.8688 -7.8688 -6.9111 -6.9111 -6.1002 -6.1002 -4.0773 -4.0773 -3.4993 -3.4993 -2.5843 -2.5843 1.7681 1.7681 2.2192 2.2192 2.3725 2.3725 2.7259 2.7259 3.1777 3.1777 3.5264 3.5264 3.7295 3.7295 4.1205 4.1205 4.3916 4.3916 4.7838 4.7838 4.9565 4.9565 5.7519 5.7519 6.2554 6.2554 6.8278 6.8278 7.2914 7.2914 8.0965 8.0965 k = 0.6070-0.2472-0.5391 ( 4130 PWs) bands (ev): -8.2700 -8.2700 -7.8989 -7.8989 -6.9236 -6.9236 -6.1382 -6.1382 -4.0552 -4.0552 -3.4582 -3.4582 -2.5459 -2.5459 1.8432 1.8432 2.2982 2.2982 2.4496 2.4496 2.7823 2.7823 3.2421 3.2421 3.5629 3.5629 3.7374 3.7374 4.1269 4.1269 4.3906 4.3906 4.8219 4.8219 5.0585 5.0585 5.7629 5.7629 6.2288 6.2288 6.7795 6.7795 7.2277 7.2277 8.0680 8.0680 k = 0.6003-0.2268-0.5025 ( 4136 PWs) bands (ev): -8.3024 -8.3024 -7.9274 -7.9274 -6.9357 -6.9357 -6.1742 -6.1742 -4.0348 -4.0348 -3.4207 -3.4207 -2.5081 -2.5081 1.9211 1.9211 2.3746 2.3746 2.5302 2.5302 2.8366 2.8366 3.3035 3.3035 3.5971 3.5971 3.7513 3.7513 4.1303 4.1303 4.3919 4.3919 4.8532 4.8532 5.1583 5.1583 5.7685 5.7685 6.2091 6.2091 6.7355 6.7355 7.1680 7.1680 8.0245 8.0245 k = 0.5936-0.2064-0.4659 ( 4136 PWs) bands (ev): -8.3329 -8.3329 -7.9544 -7.9544 -6.9474 -6.9474 -6.2080 -6.2080 -4.0161 -4.0161 -3.3865 -3.3865 -2.4709 -2.4709 2.0018 2.0018 2.4471 2.4471 2.6121 2.6121 2.8910 2.8910 3.3603 3.3603 3.6288 3.6288 3.7720 3.7720 4.1316 4.1316 4.3963 4.3963 4.8755 4.8755 5.2512 5.2512 5.7703 5.7703 6.1974 6.1974 6.6981 6.6981 7.1127 7.1127 7.9662 7.9662 k = 0.5869-0.1859-0.4293 ( 4136 PWs) bands (ev): -8.3615 -8.3615 -7.9797 -7.9797 -6.9586 -6.9586 -6.2396 -6.2396 -3.9990 -3.9990 -3.3558 -3.3558 -2.4345 -2.4345 2.0854 2.0854 2.5144 2.5144 2.6922 2.6922 2.9491 2.9491 3.4111 3.4111 3.6580 3.6580 3.7996 3.7996 4.1315 4.1315 4.4040 4.4040 4.8872 4.8872 5.3303 5.3303 5.7740 5.7740 6.1940 6.1940 6.6693 6.6693 7.0623 7.0623 7.8943 7.8943 k = 0.5802-0.1655-0.3926 ( 4134 PWs) bands (ev): -8.3880 -8.3880 -8.0033 -8.0033 -6.9692 -6.9692 -6.2690 -6.2690 -3.9835 -3.9835 -3.3283 -3.3283 -2.3992 -2.3992 2.1716 2.1716 2.5746 2.5746 2.7679 2.7679 3.0144 3.0144 3.4553 3.4553 3.6847 3.6847 3.8326 3.8326 4.1310 4.1310 4.4147 4.4147 4.8875 4.8875 5.3855 5.3855 5.7899 5.7899 6.1979 6.1979 6.6505 6.6505 7.0172 7.0172 7.8113 7.8113 k = 0.5736-0.1451-0.3560 ( 4126 PWs) bands (ev): -8.4126 -8.4126 -8.0252 -8.0252 -6.9792 -6.9792 -6.2962 -6.2962 -3.9695 -3.9695 -3.3039 -3.3039 -2.3652 -2.3652 2.2601 2.2601 2.6259 2.6259 2.8383 2.8383 3.0889 3.0889 3.4935 3.4935 3.7091 3.7091 3.8684 3.8684 4.1306 4.1306 4.4273 4.4273 4.8771 4.8771 5.4080 5.4080 5.8275 5.8275 6.2075 6.2075 6.6426 6.6426 6.9776 6.9776 7.7201 7.7201 k = 0.5669-0.1246-0.3194 ( 4130 PWs) bands (ev): -8.4351 -8.4351 -8.0454 -8.0454 -6.9886 -6.9886 -6.3212 -6.3212 -3.9570 -3.9570 -3.2826 -3.2826 -2.3328 -2.3328 2.3503 2.3503 2.6670 2.6670 2.9049 2.9049 3.1713 3.1713 3.5269 3.5269 3.7316 3.7316 3.9042 3.9042 4.1309 4.1309 4.4391 4.4391 4.8580 4.8580 5.3997 5.3997 5.8862 5.8862 6.2219 6.2219 6.6452 6.6452 6.9437 6.9437 7.6240 7.6240 k = 0.5602-0.1042-0.2828 ( 4138 PWs) bands (ev): -8.4555 -8.4555 -8.0637 -8.0637 -6.9972 -6.9972 -6.3438 -6.3438 -3.9460 -3.9460 -3.2641 -3.2641 -2.3023 -2.3023 2.4415 2.4415 2.6984 2.6984 2.9692 2.9692 3.2582 3.2582 3.5568 3.5568 3.7526 3.7526 3.9375 3.9375 4.1324 4.1324 4.4457 4.4457 4.8345 4.8345 5.3703 5.3703 5.9566 5.9566 6.2415 6.2415 6.6570 6.6570 6.9156 6.9156 7.5257 7.5257 k = 0.5535-0.0838-0.2462 ( 4134 PWs) bands (ev): -8.4739 -8.4739 -8.0802 -8.0802 -7.0050 -7.0050 -6.3642 -6.3642 -3.9363 -3.9363 -3.2481 -3.2481 -2.2741 -2.2741 2.5323 2.5323 2.7223 2.7223 3.0314 3.0314 3.3454 3.3454 3.5847 3.5847 3.7725 3.7725 3.9674 3.9674 4.1352 4.1352 4.4414 4.4414 4.8123 4.8123 5.3290 5.3290 6.0294 6.0294 6.2683 6.2683 6.6755 6.6755 6.8930 6.8930 7.4276 7.4276 k = 0.5468-0.0633-0.2095 ( 4132 PWs) bands (ev): -8.4901 -8.4901 -8.0948 -8.0948 -7.0120 -7.0120 -6.3821 -6.3821 -3.9279 -3.9279 -3.2346 -3.2346 -2.2483 -2.2483 2.6191 2.6191 2.7432 2.7432 3.0904 3.0904 3.4290 3.4290 3.6117 3.6117 3.7916 3.7916 3.9941 3.9941 4.1390 4.1390 4.4211 4.4211 4.7963 4.7963 5.2812 5.2812 6.0988 6.0988 6.3050 6.3050 6.6971 6.6971 6.8759 6.8759 7.3314 7.3314 k = 0.5401-0.0429-0.1729 ( 4138 PWs) bands (ev): -8.5042 -8.5042 -8.1075 -8.1075 -7.0182 -7.0182 -6.3978 -6.3978 -3.9207 -3.9207 -3.2233 -3.2233 -2.2254 -2.2254 2.6900 2.6900 2.7737 2.7737 3.1442 3.1442 3.5053 3.5053 3.6389 3.6389 3.8101 3.8101 4.0189 4.0189 4.1430 4.1430 4.3840 4.3840 4.7881 4.7881 5.2305 5.2305 6.1626 6.1626 6.3526 6.3526 6.7177 6.7177 6.8649 6.8649 7.2384 7.2384 k = 0.5334-0.0225-0.1363 ( 4124 PWs) bands (ev): -8.5161 -8.5161 -8.1182 -8.1182 -7.0234 -7.0234 -6.4110 -6.4110 -3.9147 -3.9147 -3.2140 -3.2140 -2.2055 -2.2055 2.7240 2.7240 2.8343 2.8343 3.1906 3.1906 3.5711 3.5711 3.6666 3.6666 3.8277 3.8277 4.0437 4.0437 4.1457 4.1457 4.3355 4.3355 4.7852 4.7852 5.1794 5.1794 6.2231 6.2231 6.4085 6.4085 6.7319 6.7319 6.8611 6.8611 7.1495 7.1495 k = 0.5267-0.0020-0.0997 ( 4118 PWs) bands (ev): -8.5259 -8.5259 -8.1271 -8.1271 -7.0278 -7.0278 -6.4218 -6.4218 -3.9099 -3.9099 -3.2066 -3.2066 -2.1888 -2.1888 2.7360 2.7360 2.9091 2.9091 3.2278 3.2278 3.6261 3.6261 3.6934 3.6934 3.8427 3.8427 4.0702 4.0702 4.1435 4.1435 4.2847 4.2847 4.7845 4.7845 5.1300 5.1300 6.2841 6.2841 6.4680 6.4680 6.7351 6.7351 6.8650 6.8650 7.0665 7.0665 k = 0.5201 0.0184-0.0631 ( 4118 PWs) bands (ev): -8.5335 -8.5335 -8.1340 -8.1340 -7.0312 -7.0312 -6.4303 -6.4303 -3.9062 -3.9062 -3.2010 -3.2010 -2.1757 -2.1757 2.7413 2.7413 2.9800 2.9800 3.2544 3.2544 3.6731 3.6731 3.7165 3.7165 3.8514 3.8514 4.0979 4.0979 4.1314 4.1314 4.2440 4.2440 4.7840 4.7840 5.0850 5.0850 6.3476 6.3476 6.5255 6.5255 6.7262 6.7262 6.8718 6.8718 6.9932 6.9932 k = 0.5134 0.0389-0.0264 ( 4116 PWs) bands (ev): -8.5390 -8.5390 -8.1389 -8.1389 -7.0336 -7.0336 -6.4363 -6.4363 -3.9036 -3.9036 -3.1970 -3.1970 -2.1662 -2.1662 2.7440 2.7440 3.0391 3.0391 3.2701 3.2701 3.7164 3.7164 3.7334 3.7334 3.8491 3.8491 4.1019 4.1019 4.1316 4.1316 4.2207 4.2207 4.7836 4.7836 5.0479 5.0479 6.4127 6.4127 6.5737 6.5737 6.7102 6.7102 6.8637 6.8637 6.9448 6.9448 k = 0.5067 0.0593 0.0102 ( 4130 PWs) bands (ev): -8.5423 -8.5423 -8.1419 -8.1419 -7.0351 -7.0351 -6.4400 -6.4400 -3.9021 -3.9021 -3.1947 -3.1947 -2.1605 -2.1605 2.7453 2.7453 3.0796 3.0796 3.2768 3.2768 3.7434 3.7434 3.7575 3.7575 3.8327 3.8327 4.0805 4.0805 4.1545 4.1545 4.2080 4.2080 4.7835 4.7835 5.0229 5.0229 6.4729 6.4729 6.5950 6.5950 6.7035 6.7035 6.8275 6.8275 6.9349 6.9349 k = 0.5000 0.0797 0.0468 ( 4142 PWs) bands (ev): -8.5434 -8.5434 -8.1429 -8.1429 -7.0356 -7.0356 -6.4412 -6.4412 -3.9016 -3.9016 -3.1940 -3.1940 -2.1586 -2.1586 2.7457 2.7457 3.0942 3.0942 3.2783 3.2783 3.7467 3.7467 3.7857 3.7857 3.8125 3.8125 4.0720 4.0720 4.1657 4.1657 4.2020 4.2020 4.7835 4.7835 5.0139 5.0139 6.5047 6.5047 6.5890 6.5890 6.7107 6.7107 6.8043 6.8043 6.9356 6.9356 k = 0.5000 0.0797 0.0468 ( 4142 PWs) bands (ev): -8.5434 -8.5434 -8.1429 -8.1429 -7.0356 -7.0356 -6.4412 -6.4412 -3.9016 -3.9016 -3.1940 -3.1940 -2.1586 -2.1586 2.7457 2.7457 3.0942 3.0942 3.2783 3.2783 3.7467 3.7467 3.7857 3.7857 3.8125 3.8125 4.0720 4.0720 4.1657 4.1657 4.2020 4.2020 4.7835 4.7835 5.0139 5.0139 6.5047 6.5047 6.5890 6.5890 6.7107 6.7107 6.8043 6.8043 6.9356 6.9356 k = 0.4583 0.0731 0.0429 ( 4112 PWs) bands (ev): -8.5436 -8.5436 -8.1422 -8.1422 -7.0378 -7.0378 -6.4387 -6.4387 -3.9064 -3.9064 -3.1875 -3.1875 -2.1609 -2.1609 2.7467 2.7467 3.0918 3.0918 3.2806 3.2806 3.7467 3.7467 3.7859 3.7859 3.8125 3.8125 4.0685 4.0685 4.1657 4.1657 4.2048 4.2048 4.7783 4.7783 5.0202 5.0202 6.4877 6.4877 6.6013 6.6013 6.7094 6.7094 6.8016 6.8016 6.9449 6.9449 k = 0.4167 0.0664 0.0390 ( 4124 PWs) bands (ev): -8.5444 -8.5444 -8.1401 -8.1401 -7.0442 -7.0442 -6.4316 -6.4316 -3.9203 -3.9203 -3.1689 -3.1689 -2.1681 -2.1681 2.7496 2.7496 3.0850 3.0850 3.2872 3.2872 3.7467 3.7467 3.7866 3.7866 3.8125 3.8125 4.0590 4.0590 4.1658 4.1658 4.2123 4.2123 4.7644 4.7644 5.0375 5.0375 6.4533 6.4533 6.6182 6.6182 6.7058 6.7058 6.8008 6.8008 6.9686 6.9686 k = 0.3750 0.0598 0.0351 ( 4127 PWs) bands (ev): -8.5456 -8.5456 -8.1367 -8.1367 -7.0542 -7.0542 -6.4205 -6.4205 -3.9414 -3.9414 -3.1400 -3.1400 -2.1798 -2.1798 2.7544 2.7544 3.0746 3.0746 3.2972 3.2972 3.7467 3.7467 3.7878 3.7878 3.8125 3.8125 4.0453 4.0453 4.1659 4.1659 4.2226 4.2226 4.7451 4.7451 5.0622 5.0622 6.4150 6.4150 6.6213 6.6213 6.7001 6.7001 6.8136 6.8136 7.0001 7.0001 k = 0.3333 0.0531 0.0312 ( 4130 PWs) bands (ev): -8.5472 -8.5472 -8.1324 -8.1324 -7.0668 -7.0668 -6.4065 -6.4065 -3.9673 -3.9673 -3.1033 -3.1033 -2.1958 -2.1958 2.7609 2.7609 3.0618 3.0618 3.3093 3.3093 3.7466 3.7466 3.7892 3.7892 3.8124 3.8124 4.0293 4.0293 4.1660 4.1660 4.2343 4.2343 4.7235 4.7235 5.0910 5.0910 6.3769 6.3769 6.6086 6.6086 6.6930 6.6930 6.8414 6.8414 7.0360 7.0360 k = 0.2917 0.0465 0.0273 ( 4128 PWs) bands (ev): -8.5490 -8.5490 -8.1273 -8.1273 -7.0810 -7.0810 -6.3905 -6.3905 -3.9954 -3.9954 -3.0615 -3.0615 -2.2155 -2.2155 2.7689 2.7689 3.0475 3.0475 3.3225 3.3225 3.7466 3.7466 3.7910 3.7910 3.8124 3.8124 4.0122 4.0122 4.1662 4.1662 4.2462 4.2462 4.7016 4.7016 5.1215 5.1215 6.3406 6.3406 6.5871 6.5871 6.6850 6.6850 6.8769 6.8769 7.0750 7.0750 k = 0.2500 0.0399 0.0234 ( 4131 PWs) bands (ev): -8.5509 -8.5509 -8.1218 -8.1218 -7.0957 -7.0957 -6.3740 -6.3740 -4.0238 -4.0238 -3.0169 -3.0169 -2.2382 -2.2382 2.7781 2.7781 3.0324 3.0324 3.3361 3.3361 3.7466 3.7466 3.7928 3.7928 3.8124 3.8124 3.9952 3.9952 4.1664 4.1664 4.2575 4.2575 4.6807 4.6807 5.1520 5.1520 6.3070 6.3070 6.5626 6.5626 6.6767 6.6767 6.9138 6.9138 7.1170 7.1170 k = 0.2083 0.0332 0.0195 ( 4131 PWs) bands (ev): -8.5528 -8.5528 -8.1163 -8.1163 -7.1099 -7.1099 -6.3578 -6.3578 -4.0507 -4.0507 -2.9718 -2.9718 -2.2630 -2.2630 2.7881 2.7881 3.0172 3.0172 3.3491 3.3491 3.7465 3.7465 3.7947 3.7947 3.8123 3.8123 3.9790 3.9790 4.1665 4.1665 4.2678 4.2678 4.6618 4.6618 5.1810 5.1810 6.2766 6.2766 6.5385 6.5385 6.6688 6.6688 6.9479 6.9479 7.1617 7.1617 k = 0.1667 0.0266 0.0156 ( 4128 PWs) bands (ev): -8.5545 -8.5545 -8.1111 -8.1111 -7.1228 -7.1228 -6.3432 -6.3432 -4.0744 -4.0744 -2.9287 -2.9287 -2.2885 -2.2885 2.7984 2.7984 3.0026 3.0026 3.3610 3.3610 3.7465 3.7465 3.7965 3.7965 3.8123 3.8123 3.9644 3.9644 4.1667 4.1667 4.2768 4.2768 4.6454 4.6454 5.2070 5.2070 6.2503 6.2503 6.5169 6.5169 6.6617 6.6617 6.9768 6.9768 7.2083 7.2083 k = 0.1250 0.0199 0.0117 ( 4119 PWs) bands (ev): -8.5560 -8.5560 -8.1066 -8.1066 -7.1337 -7.1337 -6.3308 -6.3308 -4.0942 -4.0942 -2.8901 -2.8901 -2.3128 -2.3128 2.8083 2.8083 2.9894 2.9894 3.3710 3.3710 3.7465 3.7465 3.7980 3.7980 3.8123 3.8123 3.9521 3.9521 4.1669 4.1669 4.2841 4.2841 4.6322 4.6322 5.2289 5.2289 6.2288 6.2288 6.4989 6.4989 6.6557 6.6557 6.9995 6.9995 7.2544 7.2544 k = 0.0833 0.0133 0.0078 ( 4125 PWs) bands (ev): -8.5571 -8.5571 -8.1032 -8.1032 -7.1418 -7.1418 -6.3214 -6.3214 -4.1089 -4.1089 -2.8588 -2.8588 -2.3335 -2.3335 2.8167 2.8167 2.9786 2.9786 3.3787 3.3787 3.7465 3.7465 3.7992 3.7992 3.8122 3.8122 3.9428 3.9428 4.1670 4.1670 4.2894 4.2894 4.6224 4.6224 5.2456 5.2456 6.2127 6.2127 6.4856 6.4856 6.6513 6.6513 7.0156 7.0156 7.2958 7.2958 k = 0.0417 0.0066 0.0039 ( 4119 PWs) bands (ev): -8.5578 -8.5578 -8.1010 -8.1010 -7.1469 -7.1469 -6.3156 -6.3156 -4.1179 -4.1179 -2.8382 -2.8382 -2.3477 -2.3477 2.8226 2.8226 2.9714 2.9714 3.3835 3.3835 3.7465 3.7465 3.7999 3.7999 3.8122 3.8122 3.9370 3.9370 4.1670 4.1670 4.2928 4.2928 4.6164 4.6164 5.2560 5.2560 6.2027 6.2027 6.4774 6.4774 6.6485 6.6485 7.0252 7.0252 7.3260 7.3260 k = 0.0000 0.0000 0.0000 ( 4131 PWs) bands (ev): -8.5580 -8.5580 -8.1003 -8.1003 -7.1487 -7.1487 -6.3137 -6.3137 -4.1210 -4.1210 -2.8309 -2.8309 -2.3527 -2.3527 2.8247 2.8247 2.9688 2.9688 3.3851 3.3851 3.7465 3.7465 3.8002 3.8002 3.8122 3.8122 3.9350 3.9350 4.1671 4.1671 4.2939 4.2939 4.6144 4.6144 5.2595 5.2595 6.1993 6.1993 6.4746 6.4746 6.6476 6.6476 7.0283 7.0283 7.3372 7.3372 k = 0.0000 0.0000 0.0000 ( 4131 PWs) bands (ev): -8.5580 -8.5580 -8.1003 -8.1003 -7.1487 -7.1487 -6.3137 -6.3137 -4.1210 -4.1210 -2.8309 -2.8309 -2.3527 -2.3527 2.8247 2.8247 2.9688 2.9688 3.3851 3.3851 3.7465 3.7465 3.8002 3.8002 3.8122 3.8122 3.9350 3.9350 4.1671 4.1671 4.2939 4.2939 4.6144 4.6144 5.2595 5.2595 6.1993 6.1993 6.4746 6.4746 6.6476 6.6476 7.0283 7.0283 7.3372 7.3372 k = 0.0067-0.0205-0.0368 ( 4125 PWs) bands (ev): -8.5569 -8.5569 -8.0993 -8.0993 -7.1480 -7.1480 -6.3126 -6.3126 -4.1211 -4.1211 -2.8330 -2.8330 -2.3537 -2.3537 2.8197 2.8197 2.9638 2.9638 3.3778 3.3778 3.7505 3.7505 3.7611 3.7611 3.8348 3.8348 3.9409 3.9409 4.1598 4.1598 4.2935 4.2935 4.6280 4.6280 5.2630 5.2630 6.1854 6.1854 6.4769 6.4769 6.6452 6.6452 7.0315 7.0315 7.3380 7.3380 k = 0.0134-0.0411-0.0736 ( 4125 PWs) bands (ev): -8.5536 -8.5536 -8.0964 -8.0964 -7.1459 -7.1459 -6.3096 -6.3096 -4.1215 -4.1215 -2.8392 -2.8392 -2.3564 -2.3564 2.8051 2.8051 2.9490 2.9490 3.3568 3.3568 3.7048 3.7048 3.7608 3.7608 3.8440 3.8440 3.9552 3.9552 4.1419 4.1419 4.2955 4.2955 4.6630 4.6630 5.2730 5.2730 6.1461 6.1461 6.4826 6.4826 6.6384 6.6384 7.0407 7.0407 7.3387 7.3387 k = 0.0202-0.0616-0.1105 ( 4123 PWs) bands (ev): -8.5481 -8.5481 -8.0915 -8.0915 -7.1425 -7.1425 -6.3046 -6.3046 -4.1221 -4.1221 -2.8495 -2.8495 -2.3610 -2.3610 2.7820 2.7820 2.9240 2.9240 3.3245 3.3245 3.6403 3.6403 3.7702 3.7702 3.8397 3.8397 3.9718 3.9718 4.1218 4.1218 4.3041 4.3041 4.7085 4.7085 5.2877 5.2877 6.0873 6.0873 6.4904 6.4904 6.6280 6.6280 7.0550 7.0550 7.3368 7.3368 k = 0.0269-0.0822-0.1473 ( 4121 PWs) bands (ev): -8.5403 -8.5403 -8.0847 -8.0847 -7.1377 -7.1377 -6.2975 -6.2975 -4.1229 -4.1229 -2.8638 -2.8638 -2.3675 -2.3675 2.7512 2.7512 2.8892 2.8892 3.2833 3.2833 3.5690 3.5690 3.7708 3.7708 3.8266 3.8266 3.9912 3.9912 4.1055 4.1055 4.3205 4.3205 4.7542 4.7542 5.3053 5.3053 6.0151 6.0151 6.4996 6.4996 6.6153 6.6153 7.0724 7.0724 7.3326 7.3326 k = 0.0336-0.1027-0.1841 ( 4119 PWs) bands (ev): -8.5304 -8.5304 -8.0760 -8.0760 -7.1317 -7.1317 -6.2884 -6.2884 -4.1242 -4.1242 -2.8822 -2.8822 -2.3758 -2.3758 2.7136 2.7136 2.8456 2.8456 3.2349 3.2349 3.4924 3.4924 3.7573 3.7573 3.8078 3.8078 4.0185 4.0185 4.0933 4.0933 4.3435 4.3435 4.7925 4.7925 5.3240 5.3240 5.9354 5.9354 6.5100 6.5100 6.6025 6.6025 7.0902 7.0902 7.3319 7.3319 k = 0.0403-0.1233-0.2209 ( 4119 PWs) bands (ev): -8.5182 -8.5182 -8.0653 -8.0653 -7.1243 -7.1243 -6.2773 -6.2773 -4.1258 -4.1258 -2.9046 -2.9046 -2.3861 -2.3861 2.6688 2.6688 2.7958 2.7958 3.1798 3.1798 3.4127 3.4127 3.7310 3.7310 3.7860 3.7860 4.0509 4.0509 4.0862 4.0862 4.3705 4.3705 4.8175 4.8175 5.3421 5.3421 5.8537 5.8537 6.5188 6.5188 6.5942 6.5942 7.1064 7.1064 7.3413 7.3413 k = 0.0471-0.1438-0.2578 ( 4121 PWs) bands (ev): -8.5039 -8.5039 -8.0528 -8.0528 -7.1157 -7.1157 -6.2642 -6.2642 -4.1280 -4.1280 -2.9308 -2.9308 -2.3981 -2.3981 2.6155 2.6155 2.7436 2.7436 3.1176 3.1176 3.3329 3.3329 3.6962 3.6962 3.7627 3.7627 4.0563 4.0563 4.1109 4.1109 4.3988 4.3988 4.8258 4.8258 5.3565 5.3565 5.7768 5.7768 6.5193 6.5193 6.5975 6.5975 7.1213 7.1213 7.3630 7.3630 k = 0.0538-0.1644-0.2946 ( 4121 PWs) bands (ev): -8.4874 -8.4874 -8.0384 -8.0384 -7.1060 -7.1060 -6.2491 -6.2491 -4.1307 -4.1307 -2.9608 -2.9608 -2.4121 -2.4121 2.5521 2.5521 2.6931 2.6931 3.0470 3.0470 3.2565 3.2565 3.6565 3.6565 3.7379 3.7379 4.0405 4.0405 4.1565 4.1565 4.4263 4.4263 4.8175 4.8175 5.3609 5.3609 5.7130 5.7130 6.5097 6.5097 6.6138 6.6138 7.1372 7.1372 7.3952 7.3952 k = 0.0605-0.1849-0.3314 ( 4125 PWs) bands (ev): -8.4688 -8.4688 -8.0221 -8.0221 -7.0951 -7.0951 -6.2319 -6.2319 -4.1341 -4.1341 -2.9946 -2.9946 -2.4279 -2.4279 2.4788 2.4788 2.6466 2.6466 2.9674 2.9674 3.1861 3.1861 3.6137 3.6137 3.7118 3.7118 4.0182 4.0182 4.2032 4.2032 4.4514 4.4514 4.7958 4.7958 5.3464 5.3464 5.6718 5.6718 6.4955 6.4955 6.6363 6.6363 7.1561 7.1561 7.4355 7.4355 k = 0.0672-0.2055-0.3682 ( 4123 PWs) bands (ev): -8.4480 -8.4480 -8.0041 -8.0041 -7.0831 -7.0831 -6.2128 -6.2128 -4.1382 -4.1382 -3.0319 -3.0319 -2.4456 -2.4456 2.3976 2.3976 2.6043 2.6043 2.8798 2.8798 3.1224 3.1224 3.5686 3.5686 3.6842 3.6842 3.9898 3.9898 4.2455 4.2455 4.4726 4.4726 4.7666 4.7666 5.3102 5.3102 5.6557 5.6557 6.4811 6.4811 6.6588 6.6588 7.1791 7.1791 7.4823 7.4823 k = 0.0740-0.2260-0.4051 ( 4127 PWs) bands (ev): -8.4252 -8.4252 -7.9842 -7.9842 -7.0702 -7.0702 -6.1915 -6.1915 -4.1432 -4.1432 -3.0728 -3.0728 -2.4652 -2.4652 2.3109 2.3109 2.5651 2.5651 2.7865 2.7865 3.0647 3.0647 3.5211 3.5211 3.6550 3.6550 3.9546 3.9546 4.2788 4.2788 4.4883 4.4883 4.7373 4.7373 5.2606 5.2606 5.6562 5.6562 6.4692 6.4692 6.6778 6.6778 7.2059 7.2059 7.5354 7.5354 k = 0.0807-0.2466-0.4419 ( 4131 PWs) bands (ev): -8.4002 -8.4002 -7.9627 -7.9627 -7.0564 -7.0564 -6.1683 -6.1683 -4.1492 -4.1492 -3.1169 -3.1169 -2.4867 -2.4867 2.2209 2.2209 2.5278 2.5278 2.6906 2.6906 3.0118 3.0118 3.4713 3.4713 3.6239 3.6239 3.9120 3.9120 4.2983 4.2983 4.4955 4.4955 4.7167 4.7167 5.2089 5.2089 5.6621 5.6621 6.4612 6.4612 6.6915 6.6915 7.2356 7.2356 7.5945 7.5945 k = 0.0874-0.2671-0.4787 ( 4125 PWs) bands (ev): -8.3732 -8.3732 -7.9394 -7.9394 -7.0417 -7.0417 -6.1431 -6.1431 -4.1563 -4.1563 -3.1642 -3.1642 -2.5099 -2.5099 2.1292 2.1292 2.4900 2.4900 2.5959 2.5959 2.9626 2.9626 3.4187 3.4187 3.5905 3.5905 3.8619 3.8619 4.3001 4.3001 4.4917 4.4917 4.7116 4.7116 5.1631 5.1631 5.6661 5.6661 6.4582 6.4582 6.6995 6.6995 7.2670 7.2670 7.6585 7.6585 k = 0.0941-0.2877-0.5155 ( 4129 PWs) bands (ev): -8.3442 -8.3442 -7.9145 -7.9145 -7.0264 -7.0264 -6.1158 -6.1158 -4.1647 -4.1647 -3.2145 -3.2145 -2.5351 -2.5351 2.0370 2.0370 2.4425 2.4425 2.5127 2.5127 2.9167 2.9167 3.3631 3.3631 3.5547 3.5547 3.8052 3.8052 4.2828 4.2828 4.4787 4.4787 4.7220 4.7220 5.1272 5.1272 5.6647 5.6647 6.4603 6.4603 6.7025 6.7025 7.2988 7.2988 7.7249 7.7249 k = 0.1009-0.3082-0.5524 ( 4133 PWs) bands (ev): -8.3132 -8.3132 -7.8879 -7.8879 -7.0104 -7.0104 -6.0865 -6.0865 -4.1745 -4.1745 -3.2675 -3.2675 -2.5620 -2.5620 1.9454 1.9454 2.3679 2.3679 2.4589 2.4589 2.8737 2.8737 3.3043 3.3043 3.5159 3.5159 3.7436 3.7436 4.2476 4.2476 4.4624 4.4624 4.7410 4.7410 5.1024 5.1024 5.6568 5.6568 6.4672 6.4672 6.7021 6.7021 7.3306 7.3306 7.7889 7.7889 k = 0.1076-0.3288-0.5892 ( 4127 PWs) bands (ev): -8.2802 -8.2802 -7.8599 -7.8599 -6.9939 -6.9939 -6.0552 -6.0552 -4.1858 -4.1858 -3.3232 -3.3232 -2.5906 -2.5906 1.8551 1.8551 2.2777 2.2777 2.4231 2.4231 2.8332 2.8332 3.2421 3.2421 3.4737 3.4737 3.6797 3.6797 4.1979 4.1979 4.4469 4.4469 4.7615 4.7615 5.0877 5.0877 5.6429 5.6429 6.4775 6.4775 6.7005 6.7005 7.3619 7.3619 7.8439 7.8439 k = 0.1143-0.3493-0.6260 ( 4117 PWs) bands (ev): -8.2454 -8.2454 -7.8303 -7.8303 -6.9769 -6.9769 -6.0219 -6.0219 -4.1986 -4.1986 -3.3812 -3.3812 -2.6210 -2.6210 1.7667 1.7667 2.1855 2.1855 2.3919 2.3919 2.7950 2.7950 3.1767 3.1767 3.4275 3.4275 3.6164 3.6164 4.1385 4.1385 4.4340 4.4340 4.7783 4.7783 5.0803 5.0803 5.6246 5.6246 6.4894 6.4894 6.7001 6.7001 7.3924 7.3924 7.8833 7.8833 k = 0.1210-0.3699-0.6628 ( 4117 PWs) bands (ev): -8.2087 -8.2087 -7.7994 -7.7994 -6.9597 -6.9597 -5.9866 -5.9866 -4.2133 -4.2133 -3.4414 -3.4414 -2.6531 -2.6531 1.6809 1.6809 2.0949 2.0949 2.3612 2.3612 2.7585 2.7585 3.1088 3.1088 3.3765 3.3765 3.5563 3.5563 4.0735 4.0735 4.4235 4.4235 4.7887 4.7887 5.0764 5.0764 5.6038 5.6038 6.5010 6.5010 6.7037 6.7037 7.4222 7.4222 7.9047 7.9047 k = 0.1277-0.3904-0.6997 ( 4119 PWs) bands (ev): -8.1702 -8.1702 -7.7671 -7.7671 -6.9423 -6.9423 -5.9494 -5.9494 -4.2297 -4.2297 -3.5035 -3.5035 -2.6869 -2.6869 1.5979 1.5979 2.0071 2.0071 2.3292 2.3292 2.7230 2.7230 3.0398 3.0398 3.3204 3.3204 3.5016 3.5016 4.0064 4.0064 4.4152 4.4152 4.7914 4.7914 5.0717 5.0717 5.5826 5.5826 6.5108 6.5108 6.7136 6.7136 7.4510 7.4510 7.9114 7.9114 k = 0.1345-0.4110-0.7365 ( 4121 PWs) bands (ev): -8.1299 -8.1299 -7.7336 -7.7336 -6.9249 -6.9249 -5.9102 -5.9102 -4.2480 -4.2480 -3.5674 -3.5674 -2.7223 -2.7223 1.5183 1.5183 1.9229 1.9229 2.2946 2.2946 2.6871 2.6871 2.9716 2.9716 3.2594 3.2594 3.4538 3.4538 3.9397 3.9397 4.4086 4.4086 4.7861 4.7861 5.0626 5.0626 5.5622 5.5622 6.5191 6.5191 6.7305 6.7305 7.4788 7.4788 7.9098 7.9098 k = 0.1412-0.4315-0.7733 ( 4125 PWs) bands (ev): -8.0880 -8.0880 -7.6990 -7.6990 -6.9075 -6.9075 -5.8691 -5.8691 -4.2682 -4.2682 -3.6328 -3.6328 -2.7593 -2.7593 1.4423 1.4423 1.8428 1.8428 2.2561 2.2561 2.6492 2.6492 2.9068 2.9068 3.1944 3.1944 3.4132 3.4132 3.8752 3.8752 4.4032 4.4032 4.7725 4.7725 5.0470 5.0470 5.5430 5.5430 6.5275 6.5275 6.7541 6.7541 7.5058 7.5058 7.9055 7.9055 k = 0.1479-0.4521-0.8101 ( 4123 PWs) bands (ev): -8.0445 -8.0445 -7.6633 -7.6633 -6.8903 -6.8903 -5.8261 -5.8261 -4.2903 -4.2903 -3.6994 -3.6994 -2.7979 -2.7979 1.3701 1.3701 1.7672 1.7672 2.2126 2.2126 2.6069 2.6069 2.8482 2.8482 3.1267 3.1267 3.3798 3.3798 3.8144 3.8144 4.3985 4.3985 4.7507 4.7507 5.0243 5.0243 5.5237 5.5237 6.5383 6.5383 6.7830 6.7830 7.5321 7.5321 7.9025 7.9025 k = 0.1546-0.4726-0.8469 ( 4125 PWs) bands (ev): -7.9994 -7.9994 -7.6266 -7.6266 -6.8734 -6.8734 -5.7813 -5.7813 -4.3144 -4.3144 -3.7670 -3.7670 -2.8381 -2.8381 1.3021 1.3021 1.6965 1.6965 2.1636 2.1636 2.5584 2.5584 2.7980 2.7980 3.0575 3.0575 3.3537 3.3537 3.7581 3.7581 4.3943 4.3943 4.7207 4.7207 4.9953 4.9953 5.5027 5.5027 6.5537 6.5537 6.8159 6.8159 7.5581 7.5581 7.9028 7.9028 k = 0.1614-0.4932-0.8838 ( 4125 PWs) bands (ev): -7.9529 -7.9529 -7.5891 -7.5891 -6.8570 -6.8570 -5.7347 -5.7347 -4.3403 -4.3403 -3.8353 -3.8353 -2.8799 -2.8799 1.2382 1.2382 1.6309 1.6309 2.1089 2.1089 2.5032 2.5032 2.7560 2.7560 2.9880 2.9880 3.3350 3.3350 3.7072 3.7072 4.3900 4.3900 4.6828 4.6828 4.9614 4.9614 5.4780 5.4780 6.5752 6.5752 6.8517 6.8517 7.5846 7.5846 7.9074 7.9074 k = 0.1681-0.5137-0.9206 ( 4131 PWs) bands (ev): -7.9050 -7.9050 -7.5509 -7.5509 -6.8410 -6.8410 -5.6863 -5.6863 -4.3680 -4.3680 -3.9042 -3.9042 -2.9232 -2.9232 1.1787 1.1787 1.5707 1.5707 2.0490 2.0490 2.4426 2.4426 2.7196 2.7196 2.9195 2.9195 3.3238 3.3238 3.6622 3.6622 4.3851 4.3851 4.6379 4.6379 4.9240 4.9240 5.4482 5.4482 6.6034 6.6034 6.8896 6.8896 7.6123 7.6123 7.9162 7.9162 k = 0.1748-0.5343-0.9574 ( 4131 PWs) bands (ev): -7.8559 -7.8559 -7.5122 -7.5122 -6.8257 -6.8257 -5.6363 -5.6363 -4.3973 -4.3973 -3.9733 -3.9733 -2.9681 -2.9681 1.1235 1.1235 1.5160 1.5160 1.9849 1.9849 2.3783 2.3783 2.6849 2.6849 2.8538 2.8538 3.3201 3.3201 3.6238 3.6238 4.3790 4.3790 4.5875 4.5875 4.8839 4.8839 5.4126 5.4126 6.6382 6.6382 6.9290 6.9290 7.6421 7.6421 7.9288 7.9288 k = 0.1815-0.5548-0.9942 ( 4139 PWs) bands (ev): -7.8056 -7.8056 -7.4730 -7.4730 -6.8111 -6.8111 -5.5847 -5.5847 -4.4282 -4.4282 -4.0425 -4.0425 -3.0145 -3.0145 1.0726 1.0726 1.4670 1.4670 1.9180 1.9180 2.3119 2.3119 2.6472 2.6472 2.7931 2.7931 3.3238 3.3238 3.5923 3.5923 4.3702 4.3702 4.5339 4.5339 4.8417 4.8417 5.3712 5.3712 6.6789 6.6789 6.9695 6.9695 7.6748 7.6748 7.9444 7.9444 k = 0.1883-0.5754-1.0311 ( 4135 PWs) bands (ev): -7.7544 -7.7544 -7.4335 -7.4335 -6.7974 -6.7974 -5.5315 -5.5315 -4.4604 -4.4604 -4.1114 -4.1114 -3.0623 -3.0623 1.0260 1.0260 1.4234 1.4234 1.8500 1.8500 2.2443 2.2443 2.6028 2.6028 2.7394 2.7394 3.3347 3.3347 3.5682 3.5682 4.3554 4.3554 4.4817 4.4817 4.7976 4.7976 5.3246 5.3246 6.7243 6.7243 7.0106 7.0106 7.7108 7.7108 7.9624 7.9624 k = 0.1950-0.5959-1.0679 ( 4135 PWs) bands (ev): -7.7022 -7.7022 -7.3939 -7.3939 -6.7846 -6.7846 -5.4770 -5.4770 -4.4937 -4.4937 -4.1799 -4.1799 -3.1116 -3.1116 0.9836 0.9836 1.3851 1.3851 1.7825 1.7825 2.1765 2.1765 2.5500 2.5500 2.6928 2.6928 3.3525 3.3525 3.5514 3.5514 4.3278 4.3278 4.4388 4.4388 4.7518 4.7518 5.2735 5.2735 6.7733 6.7733 7.0520 7.0520 7.7503 7.7503 7.9822 7.9822 k = 0.2017-0.6165-1.1047 ( 4137 PWs) bands (ev): -7.6494 -7.6494 -7.3544 -7.3544 -6.7727 -6.7727 -5.4210 -5.4210 -4.5280 -4.5280 -4.2476 -4.2476 -3.1623 -3.1623 0.9453 0.9453 1.3513 1.3513 1.7174 1.7174 2.1092 2.1092 2.4908 2.4908 2.6504 2.6504 3.3768 3.3768 3.5415 3.5415 4.2824 4.2824 4.4114 4.4114 4.7045 4.7045 5.2188 5.2188 6.8246 6.8246 7.0933 7.0933 7.7930 7.7930 8.0037 8.0037 k = 0.2084-0.6370-1.1415 ( 4141 PWs) bands (ev): -7.5960 -7.5960 -7.3152 -7.3152 -6.7620 -6.7620 -5.3639 -5.3639 -4.5629 -4.5629 -4.3144 -4.3144 -3.2144 -3.2144 0.9108 0.9108 1.3210 1.3210 1.6567 1.6567 2.0430 2.0430 2.4280 2.4280 2.6092 2.6092 3.4070 3.4070 3.5377 3.5377 4.2248 4.2248 4.3952 4.3952 4.6561 4.6561 5.1616 5.1616 6.8770 6.8770 7.1340 7.1340 7.8384 7.8384 8.0271 8.0271 k = 0.2152-0.6576-1.1784 ( 4131 PWs) bands (ev): -7.5423 -7.5423 -7.2764 -7.2764 -6.7524 -6.7524 -5.3056 -5.3056 -4.5982 -4.5982 -4.3799 -4.3799 -3.2676 -3.2676 0.8801 0.8801 1.2928 1.2928 1.6027 1.6027 1.9786 1.9786 2.3637 2.3637 2.5671 2.5671 3.4423 3.4423 3.5387 3.5387 4.1626 4.1626 4.3838 4.3838 4.6072 4.6072 5.1026 5.1026 6.9293 6.9293 7.1735 7.1735 7.8848 7.8848 8.0534 8.0534 k = 0.2219-0.6781-1.2152 ( 4141 PWs) bands (ev): -7.4884 -7.4884 -7.2383 -7.2383 -6.7439 -6.7439 -5.2464 -5.2464 -4.6337 -4.6337 -4.4440 -4.4440 -3.3221 -3.3221 0.8528 0.8528 1.2648 1.2648 1.5578 1.5578 1.9168 1.9168 2.2992 2.2992 2.5233 2.5233 3.4812 3.4812 3.5434 3.5434 4.1005 4.1005 4.3740 4.3740 4.5586 4.5586 5.0427 5.0427 6.9802 6.9802 7.2110 7.2110 7.9300 7.9300 8.0847 8.0847 k = 0.2286-0.6986-1.2520 ( 4141 PWs) bands (ev): -7.4346 -7.4346 -7.2011 -7.2011 -6.7366 -6.7366 -5.1864 -5.1864 -4.6689 -4.6689 -4.5062 -4.5062 -3.3776 -3.3776 0.8286 0.8286 1.2352 1.2352 1.5239 1.5239 1.8585 1.8585 2.2355 2.2355 2.4775 2.4775 3.5161 3.5161 3.5557 3.5557 4.0414 4.0414 4.3647 4.3647 4.5117 4.5117 4.9827 4.9827 7.0288 7.0288 7.2458 7.2458 7.9709 7.9709 8.1237 8.1237 k = 0.2353-0.7192-1.2888 ( 4145 PWs) bands (ev): -7.3812 -7.3812 -7.1650 -7.1650 -6.7305 -6.7305 -5.1256 -5.1256 -4.7037 -4.7037 -4.5664 -4.5664 -3.4341 -3.4341 0.8070 0.8070 1.2034 1.2034 1.5016 1.5016 1.8045 1.8045 2.1732 2.1732 2.4299 2.4299 3.5264 3.5264 3.5918 3.5918 3.9880 3.9880 4.3553 4.3553 4.4681 4.4681 4.9232 4.9232 7.0740 7.0740 7.2767 7.2767 8.0057 8.0057 8.1719 8.1719 k = 0.2421-0.7397-1.3257 ( 4149 PWs) bands (ev): -7.3285 -7.3285 -7.1302 -7.1302 -6.7257 -6.7257 -5.0642 -5.0642 -4.7378 -4.7378 -4.6243 -4.6243 -3.4914 -3.4914 0.7876 0.7876 1.1700 1.1700 1.4894 1.4894 1.7562 1.7562 2.1133 2.1133 2.3811 2.3811 3.5172 3.5172 3.6418 3.6418 3.9421 3.9421 4.3455 4.3455 4.4298 4.4298 4.8651 4.8651 7.1147 7.1147 7.3028 7.3028 8.0347 8.0347 8.2285 8.2285 k = 0.2488-0.7603-1.3625 ( 4149 PWs) bands (ev): -7.2768 -7.2768 -7.0970 -7.0970 -6.7219 -6.7219 -5.0025 -5.0025 -4.7708 -4.7708 -4.6795 -4.6795 -3.5492 -3.5492 0.7698 0.7698 1.1369 1.1369 1.4841 1.4841 1.7150 1.7150 2.0568 2.0568 2.3316 2.3316 3.4942 3.4942 3.6961 3.6961 3.9041 3.9041 4.3354 4.3354 4.3996 4.3996 4.8092 4.8092 7.1498 7.1498 7.3231 7.3231 8.0598 8.0598 8.2908 8.2908 k = 0.2555-0.7808-1.3993 ( 4153 PWs) bands (ev): -7.2264 -7.2264 -7.0656 -7.0656 -6.7193 -6.7193 -4.9406 -4.9406 -4.8025 -4.8025 -4.7317 -4.7317 -3.6076 -3.6076 0.7529 0.7529 1.1061 1.1061 1.4813 1.4813 1.6828 1.6828 2.0055 2.0055 2.2818 2.2818 3.4584 3.4584 3.7515 3.7515 3.8722 3.8722 4.3257 4.3257 4.3794 4.3794 4.7566 4.7566 7.1783 7.1783 7.3369 7.3369 8.0823 8.0823 8.3559 8.3559 k = 0.2622-0.8014-1.4361 ( 4159 PWs) bands (ev): -7.1778 -7.1778 -7.0363 -7.0363 -6.7178 -6.7178 -4.8786 -4.8786 -4.8326 -4.8326 -4.7806 -4.7806 -3.6663 -3.6663 0.7363 0.7363 1.0792 1.0792 1.4765 1.4765 1.6605 1.6605 1.9620 1.9620 2.2325 2.2325 3.4119 3.4119 3.8020 3.8020 3.8461 3.8461 4.3177 4.3177 4.3702 4.3702 4.7087 4.7087 7.1989 7.1989 7.3439 7.3439 8.1029 8.1029 8.4207 8.4207 k = 0.2689-0.8219-1.4729 ( 4159 PWs) bands (ev): -7.1315 -7.1315 -7.0091 -7.0091 -6.7172 -6.7172 -4.8611 -4.8611 -4.8259 -4.8259 -4.8166 -4.8166 -3.7251 -3.7251 0.7198 0.7198 1.0572 1.0572 1.4671 1.4671 1.6459 1.6459 1.9304 1.9304 2.1843 2.1843 3.3578 3.3578 3.7994 3.7994 3.8677 3.8677 4.3121 4.3121 4.3724 4.3724 4.6678 4.6678 7.2106 7.2106 7.3442 7.3442 8.1213 8.1213 8.4818 8.4818 k = 0.2757-0.8425-1.5098 ( 4157 PWs) bands (ev): -7.0879 -7.0879 -6.9843 -6.9843 -6.7173 -6.7173 -4.8873 -4.8873 -4.8670 -4.8670 -4.7551 -4.7551 -3.7839 -3.7839 0.7031 0.7031 1.0405 1.0405 1.4536 1.4536 1.6330 1.6330 1.9154 1.9154 2.1385 2.1385 3.2989 3.2989 3.7632 3.7632 3.9123 3.9123 4.3080 4.3080 4.3854 4.3854 4.6373 4.6373 7.2124 7.2124 7.3382 7.3382 8.1373 8.1373 8.5364 8.5364 k = 0.2824-0.8630-1.5466 ( 4165 PWs) bands (ev): -7.0477 -7.0477 -6.9621 -6.9621 -6.7181 -6.7181 -4.9117 -4.9117 -4.9037 -4.9037 -4.6941 -4.6941 -3.8424 -3.8424 0.6866 0.6866 1.0289 1.0289 1.4380 1.4380 1.6164 1.6164 1.9188 1.9188 2.0971 2.0971 3.2371 3.2371 3.7205 3.7205 3.9490 3.9490 4.3036 4.3036 4.4079 4.4079 4.6217 4.6217 7.2043 7.2043 7.3264 7.3264 8.1505 8.1505 8.5831 8.5831 k = 0.2891-0.8836-1.5834 ( 4165 PWs) bands (ev): -7.0114 -7.0114 -6.9424 -6.9424 -6.7193 -6.7193 -4.9370 -4.9370 -4.9323 -4.9323 -4.6337 -4.6337 -3.9006 -3.9006 0.6706 0.6706 1.0216 1.0216 1.4213 1.4213 1.5962 1.5962 1.9347 1.9347 2.0653 2.0653 3.1742 3.1742 3.6738 3.6738 3.9731 3.9731 4.2963 4.2963 4.4390 4.4390 4.6247 4.6247 7.1867 7.1867 7.3090 7.3090 8.1616 8.1616 8.6233 8.6233 k = 0.2958-0.9041-1.6202 ( 4169 PWs) bands (ev): -6.9798 -6.9798 -6.9253 -6.9253 -6.7206 -6.7206 -4.9638 -4.9638 -4.9521 -4.9521 -4.5742 -4.5742 -3.9582 -3.9582 0.6559 0.6559 1.0180 1.0180 1.4026 1.4026 1.5768 1.5768 1.9445 1.9445 2.0583 2.0583 3.1111 3.1111 3.6244 3.6244 3.9830 3.9830 4.2837 4.2837 4.4790 4.4790 4.6469 4.6469 7.1610 7.1610 7.2862 7.2862 8.1714 8.1714 8.6582 8.6582 k = 0.3026-0.9247-1.6571 ( 4171 PWs) bands (ev): -6.9537 -6.9537 -6.9106 -6.9106 -6.7217 -6.7217 -4.9858 -4.9858 -4.9690 -4.9690 -4.5158 -4.5158 -4.0151 -4.0151 0.6430 0.6430 1.0173 1.0173 1.3805 1.3805 1.5629 1.5629 1.9328 1.9328 2.0887 2.0887 3.0488 3.0488 3.5737 3.5737 3.9799 3.9799 4.2661 4.2661 4.5275 4.5275 4.6846 4.6846 7.1289 7.1289 7.2585 7.2585 8.1809 8.1809 8.6867 8.6867 k = 0.3093-0.9452-1.6939 ( 4169 PWs) bands (ev): -6.9335 -6.9335 -6.8983 -6.8983 -6.7224 -6.7224 -5.0024 -5.0024 -4.9834 -4.9834 -4.4586 -4.4586 -4.0709 -4.0709 0.6323 0.6323 1.0187 1.0187 1.3543 1.3543 1.5562 1.5562 1.9125 1.9125 2.1417 2.1417 2.9882 2.9882 3.5227 3.5227 3.9663 3.9663 4.2455 4.2455 4.5820 4.5820 4.7329 4.7329 7.0921 7.0921 7.2267 7.2267 8.1909 8.1909 8.7060 8.7060 k = 0.3160-0.9658-1.7307 ( 4175 PWs) bands (ev): -6.9195 -6.9195 -6.8885 -6.8885 -6.7225 -6.7225 -5.0135 -5.0135 -4.9954 -4.9954 -4.4030 -4.4030 -4.1256 -4.1256 0.6243 0.6243 1.0218 1.0218 1.3255 1.3255 1.5552 1.5552 1.8960 1.8960 2.2049 2.2049 2.9303 2.9303 3.4721 3.4721 3.9451 3.9451 4.2240 4.2240 4.6392 4.6392 4.7880 4.7880 7.0522 7.0522 7.1923 7.1923 8.2016 8.2016 8.7144 8.7144 k = 0.3227-0.9863-1.7675 ( 4175 PWs) bands (ev): -6.9109 -6.9109 -6.8816 -6.8816 -6.7221 -6.7221 -5.0191 -5.0191 -5.0050 -5.0050 -4.3496 -4.3496 -4.1783 -4.1783 0.6189 0.6189 1.0262 1.0262 1.2965 1.2965 1.5559 1.5559 1.8895 1.8895 2.2725 2.2725 2.8764 2.8764 3.4229 3.4229 3.9189 3.9189 4.2028 4.2028 4.6956 4.6956 4.8468 4.8468 7.0108 7.0108 7.1572 7.1572 8.2131 8.2131 8.7129 8.7129 k = 0.3295-1.0069-1.8044 ( 4171 PWs) bands (ev): -6.9070 -6.9070 -6.8780 -6.8780 -6.7216 -6.7216 -5.0196 -5.0196 -5.0123 -5.0123 -4.3013 -4.3013 -4.2262 -4.2262 0.6161 0.6161 1.0312 1.0312 1.2698 1.2698 1.5544 1.5544 1.8966 1.8966 2.3401 2.3401 2.8291 2.8291 3.3756 3.3756 3.8896 3.8896 4.1826 4.1826 4.7483 4.7483 4.9071 4.9071 6.9697 6.9697 7.1233 7.1233 8.2251 8.2251 8.7041 8.7041 k = 0.3362-1.0274-1.8412 ( 4167 PWs) bands (ev): -6.9066 -6.9066 -6.8778 -6.8778 -6.7216 -6.7216 -5.0195 -5.0195 -5.0129 -5.0129 -4.2954 -4.2954 -4.2319 -4.2319 0.6155 0.6155 1.0361 1.0361 1.2480 1.2480 1.5483 1.5483 1.9188 1.9188 2.4015 2.4015 2.7929 2.7929 3.3309 3.3309 3.8589 3.8589 4.1637 4.1637 4.7949 4.7949 4.9664 4.9664 6.9306 6.9306 7.0928 7.0928 8.2370 8.2370 8.6901 8.6901 k = 0.6638-0.9477-1.7944 ( 4167 PWs) bands (ev): -6.9066 -6.9066 -6.8778 -6.8778 -6.7216 -6.7216 -5.0195 -5.0195 -5.0129 -5.0129 -4.2954 -4.2954 -4.2319 -4.2319 0.6155 0.6155 1.0361 1.0361 1.2480 1.2480 1.5483 1.5483 1.9188 1.9188 2.4015 2.4015 2.7929 2.7929 3.3309 3.3309 3.8589 3.8589 4.1637 4.1637 4.7949 4.7949 4.9664 4.9664 6.9306 6.9306 7.0928 7.0928 8.2370 8.2370 8.6901 8.6901 k = 0.6573-0.9066-1.7944 ( 4167 PWs) bands (ev): -6.9091 -6.9091 -6.8806 -6.8806 -6.7225 -6.7225 -5.0229 -5.0229 -5.0038 -5.0038 -4.3376 -4.3376 -4.1899 -4.1899 0.6165 0.6165 1.0401 1.0401 1.2337 1.2337 1.5384 1.5384 1.9541 1.9541 2.4462 2.4462 2.7763 2.7763 3.2908 3.2908 3.8290 3.8290 4.1469 4.1469 4.8326 4.8326 5.0207 5.0207 6.8963 6.8963 7.0681 7.0681 8.2479 8.2479 8.6730 8.6730 k = 0.6507-0.8655-1.7944 ( 4173 PWs) bands (ev): -6.9138 -6.9138 -6.8857 -6.8857 -6.7248 -6.7248 -5.0254 -5.0254 -4.9900 -4.9900 -4.3829 -4.3829 -4.1448 -4.1448 0.6180 0.6180 1.0430 1.0430 1.2276 1.2276 1.5262 1.5262 2.0005 2.0005 2.4656 2.4656 2.7872 2.7872 3.2549 3.2549 3.8003 3.8003 4.1318 4.1318 4.8612 4.8612 5.0688 5.0688 6.8681 6.8681 7.0500 7.0500 8.2576 8.2576 8.6536 8.6536 k = 0.6442-0.8244-1.7944 ( 4169 PWs) bands (ev): -6.9204 -6.9204 -6.8928 -6.8928 -6.7287 -6.7287 -5.0269 -5.0269 -4.9724 -4.9724 -4.4272 -4.4272 -4.1007 -4.1007 0.6191 0.6191 1.0456 1.0456 1.2300 1.2300 1.5140 1.5140 2.0554 2.0554 2.4588 2.4588 2.8244 2.8244 3.2248 3.2248 3.7737 3.7737 4.1187 4.1187 4.8796 4.8796 5.1084 5.1084 6.8479 6.8479 7.0400 7.0400 8.2652 8.2652 8.6326 8.6326 k = 0.6376-0.7833-1.7944 ( 4169 PWs) bands (ev): -6.9285 -6.9285 -6.9014 -6.9014 -6.7343 -6.7343 -5.0276 -5.0276 -4.9516 -4.9516 -4.4699 -4.4699 -4.0583 -4.0583 0.6185 0.6185 1.0499 1.0499 1.2393 1.2393 1.5039 1.5039 2.1163 2.1163 2.4355 2.4355 2.8750 2.8750 3.2031 3.2031 3.7504 3.7504 4.1083 4.1083 4.8867 4.8867 5.1369 5.1369 6.8378 6.8378 7.0389 7.0389 8.2696 8.2696 8.6103 8.6103 k = 0.6311-0.7422-1.7944 ( 4163 PWs) bands (ev): -6.9377 -6.9377 -6.9113 -6.9113 -6.7414 -6.7414 -5.0277 -5.0277 -4.9281 -4.9281 -4.5107 -4.5107 -4.0176 -4.0176 0.6153 0.6153 1.0581 1.0581 1.2532 1.2532 1.4983 1.4983 2.1804 2.1804 2.4053 2.4053 2.9250 2.9250 3.1940 3.1940 3.7316 3.7316 4.1012 4.1012 4.8822 4.8822 5.1526 5.1526 6.8390 6.8390 7.0474 7.0474 8.2694 8.2694 8.5874 8.5874 k = 0.6245-0.7011-1.7944 ( 4165 PWs) bands (ev): -6.9477 -6.9477 -6.9222 -6.9222 -6.7500 -6.7500 -5.0276 -5.0276 -4.9025 -4.9025 -4.5494 -4.5494 -3.9788 -3.9788 0.6087 0.6087 1.0715 1.0715 1.2692 1.2692 1.4992 1.4992 2.2438 2.2438 2.3754 2.3754 2.9629 2.9629 3.2025 3.2025 3.7184 3.7184 4.0984 4.0984 4.8657 4.8657 5.1545 5.1545 6.8521 6.8521 7.0656 7.0656 8.2624 8.2624 8.5645 8.5645 k = 0.6179-0.6600-1.7944 ( 4153 PWs) bands (ev): -6.9584 -6.9584 -6.9338 -6.9338 -6.7596 -6.7596 -5.0274 -5.0274 -4.8755 -4.8755 -4.5858 -4.5858 -3.9418 -3.9418 0.5987 0.5987 1.0902 1.0902 1.2855 1.2855 1.5087 1.5087 2.2902 2.2902 2.3624 2.3624 2.9844 2.9844 3.2293 3.2293 3.7118 3.7118 4.1013 4.1013 4.8378 4.8378 5.1428 5.1428 6.8761 6.8761 7.0933 7.0933 8.2461 8.2461 8.5423 8.5423 k = 0.6114-0.6189-1.7944 ( 4145 PWs) bands (ev): -6.9695 -6.9695 -6.9458 -6.9458 -6.7702 -6.7702 -5.0274 -5.0274 -4.8474 -4.8474 -4.6198 -4.6198 -3.9067 -3.9067 0.5857 0.5857 1.1128 1.1128 1.3022 1.3022 1.5274 1.5274 2.2846 2.2846 2.4006 2.4006 2.9945 2.9945 3.2668 3.2668 3.7125 3.7125 4.1114 4.1114 4.7991 4.7991 5.1186 5.1186 6.9089 6.9089 7.1300 7.1300 8.2175 8.2175 8.5214 8.5214 k = 0.6048-0.5778-1.7944 ( 4145 PWs) bands (ev): -6.9808 -6.9808 -6.9582 -6.9582 -6.7815 -6.7815 -5.0278 -5.0278 -4.8189 -4.8189 -4.6513 -4.6513 -3.8736 -3.8736 0.5702 0.5702 1.1362 1.1362 1.3215 1.3215 1.5546 1.5546 2.2601 2.2601 2.4555 2.4555 3.0010 3.0010 3.3066 3.3066 3.7196 3.7196 4.1305 4.1305 4.7510 4.7510 5.0837 5.0837 6.9470 6.9470 7.1752 7.1752 8.1742 8.1742 8.5019 8.5019 k = 0.5983-0.5367-1.7944 ( 4145 PWs) bands (ev): -6.9922 -6.9922 -6.9707 -6.9707 -6.7931 -6.7931 -5.0289 -5.0289 -4.7904 -4.7904 -4.6801 -4.6801 -3.8423 -3.8423 0.5530 0.5530 1.1568 1.1568 1.3475 1.3475 1.5884 1.5884 2.2359 2.2359 2.5065 2.5065 3.0089 3.0089 3.3449 3.3449 3.7310 3.7310 4.1590 4.1590 4.6957 4.6957 5.0410 5.0410 6.9854 6.9854 7.2283 7.2283 8.1167 8.1167 8.4821 8.4821 k = 0.5917-0.4956-1.7944 ( 4153 PWs) bands (ev): -7.0035 -7.0035 -6.9831 -6.9831 -6.8049 -6.8049 -5.0309 -5.0309 -4.7623 -4.7623 -4.7060 -4.7060 -3.8129 -3.8129 0.5349 0.5349 1.1715 1.1715 1.3831 1.3831 1.6265 1.6265 2.2156 2.2156 2.5493 2.5493 3.0196 3.0196 3.3821 3.3821 3.7443 3.7443 4.1948 4.1948 4.6364 4.6364 4.9937 4.9937 7.0186 7.0186 7.2886 7.2886 8.0486 8.0486 8.4589 8.4589 k = 0.5852-0.4545-1.7944 ( 4159 PWs) bands (ev): -7.0145 -7.0145 -6.9954 -6.9954 -6.8167 -6.8167 -5.0337 -5.0337 -4.7350 -4.7350 -4.7291 -4.7291 -3.7853 -3.7853 0.5165 0.5165 1.1800 1.1800 1.4283 1.4283 1.6668 1.6668 2.2010 2.2010 2.5831 2.5831 3.0324 3.0324 3.4200 3.4200 3.7579 3.7579 4.2306 4.2306 4.5789 4.5789 4.9463 4.9463 7.0400 7.0400 7.3550 7.3550 7.9766 7.9766 8.4291 8.4291 k = 0.5786-0.4134-1.7944 ( 4163 PWs) bands (ev): -7.0252 -7.0252 -7.0072 -7.0072 -6.8282 -6.8282 -5.0375 -5.0375 -4.7494 -4.7494 -4.7088 -4.7088 -3.7596 -3.7596 0.4982 0.4982 1.1840 1.1840 1.4807 1.4807 1.7077 1.7077 2.1934 2.1934 2.6089 2.6089 3.0451 3.0451 3.4594 3.4594 3.7724 3.7724 4.2507 4.2507 4.5339 4.5339 4.9055 4.9055 7.0431 7.0431 7.4255 7.4255 7.9086 7.9086 8.3917 8.3917 k = 0.5721-0.3723-1.7944 ( 4168 PWs) bands (ev): -7.0354 -7.0354 -7.0185 -7.0185 -6.8393 -6.8393 -5.0423 -5.0423 -4.7668 -4.7668 -4.6839 -4.6839 -3.7358 -3.7358 0.4805 0.4805 1.1852 1.1852 1.5361 1.5361 1.7487 1.7487 2.1941 2.1941 2.6289 2.6289 3.0556 3.0556 3.4978 3.4978 3.7905 3.7905 4.2363 4.2363 4.5114 4.5114 4.8815 4.8815 7.0223 7.0223 7.4977 7.4977 7.8520 7.8520 8.3479 8.3479 k = 0.5655-0.3312-1.7944 ( 4166 PWs) bands (ev): -7.0451 -7.0451 -7.0293 -7.0293 -6.8498 -6.8498 -5.0479 -5.0479 -4.7814 -4.7814 -4.6607 -4.6607 -3.7139 -3.7139 0.4636 0.4636 1.1848 1.1848 1.5895 1.5895 1.7914 1.7914 2.2035 2.2035 2.6457 2.6457 3.0633 3.0633 3.5292 3.5292 3.8160 3.8160 4.1878 4.1878 4.5008 4.5008 4.8867 4.8867 6.9751 6.9751 7.5679 7.5679 7.8115 7.8115 8.3000 8.3000 k = 0.5590-0.2902-1.7944 ( 4160 PWs) bands (ev): -7.0541 -7.0541 -7.0393 -7.0393 -6.8596 -6.8596 -5.0542 -5.0542 -4.7935 -4.7935 -4.6392 -4.6392 -3.6938 -3.6938 0.4478 0.4478 1.1838 1.1838 1.6349 1.6349 1.8394 1.8394 2.2208 2.2208 2.6617 2.6617 3.0684 3.0684 3.5471 3.5471 3.8502 3.8502 4.1221 4.1221 4.4835 4.4835 4.9265 4.9265 6.9032 6.9032 7.6298 7.6298 7.7895 7.7895 8.2506 8.2506 k = 0.5524-0.2491-1.7944 ( 4158 PWs) bands (ev): -7.0623 -7.0623 -7.0485 -7.0485 -6.8686 -6.8686 -5.0607 -5.0607 -4.8034 -4.8034 -4.6198 -4.6198 -3.6757 -3.6757 0.4333 0.4333 1.1826 1.1826 1.6678 1.6678 1.8964 1.8964 2.2442 2.2442 2.6789 2.6789 3.0715 3.0715 3.5479 3.5479 3.8873 3.8873 4.0548 4.0548 4.4592 4.4592 4.9938 4.9938 6.8116 6.8116 7.6699 7.6699 7.7923 7.7923 8.2030 8.2030 k = 0.5459-0.2080-1.7944 ( 4154 PWs) bands (ev): -7.0698 -7.0698 -7.0568 -7.0568 -6.8768 -6.8768 -5.0674 -5.0674 -4.8113 -4.8113 -4.6024 -4.6024 -3.6596 -3.6596 0.4203 0.4203 1.1815 1.1815 1.6880 1.6880 1.9622 1.9622 2.2710 2.2710 2.6989 2.6989 3.0735 3.0735 3.5314 3.5314 3.9065 3.9065 4.0057 4.0057 4.4387 4.4387 5.0776 5.0776 6.7065 6.7065 7.6758 7.6758 7.8239 7.8239 8.1611 8.1611 k = 0.5393-0.1669-1.7944 ( 4156 PWs) bands (ev): -7.0764 -7.0764 -7.0641 -7.0641 -6.8840 -6.8840 -5.0738 -5.0738 -4.8176 -4.8176 -4.5872 -4.5872 -3.6455 -3.6455 0.4088 0.4088 1.1805 1.1805 1.6988 1.6988 2.0332 2.0332 2.2984 2.2984 2.7226 2.7226 3.0749 3.0749 3.4987 3.4987 3.8801 3.8801 3.9970 3.9970 4.4334 4.4334 5.1701 5.1701 6.5934 6.5934 7.6590 7.6590 7.8661 7.8661 8.1285 8.1285 k = 0.5328-0.1258-1.7944 ( 4156 PWs) bands (ev): -7.0821 -7.0821 -7.0705 -7.0705 -6.8902 -6.8902 -5.0797 -5.0797 -4.8224 -4.8224 -4.5743 -4.5743 -3.6334 -3.6334 0.3989 0.3989 1.1797 1.1797 1.7037 1.7037 2.1049 2.1049 2.3246 2.3246 2.7506 2.7506 3.0755 3.0755 3.4524 3.4524 3.8362 3.8362 3.9970 3.9970 4.4489 4.4489 5.2662 5.2662 6.4768 6.4768 7.6313 7.6313 7.9034 7.9034 8.1084 8.1084 k = 0.5262-0.0847-1.7944 ( 4158 PWs) bands (ev): -7.0868 -7.0868 -7.0757 -7.0757 -6.8953 -6.8953 -5.0848 -5.0848 -4.8261 -4.8261 -4.5637 -4.5637 -3.6235 -3.6235 0.3908 0.3908 1.1791 1.1791 1.7052 1.7052 2.1723 2.1723 2.3489 2.3489 2.7829 2.7829 3.0735 3.0735 3.3981 3.3981 3.7963 3.7963 3.9873 3.9873 4.4811 4.4811 5.3626 5.3626 6.3608 6.3608 7.5987 7.5987 7.9297 7.9297 8.1015 8.1015 k = 0.5197-0.0436-1.7944 ( 4156 PWs) bands (ev): -7.0905 -7.0905 -7.0798 -7.0798 -6.8993 -6.8993 -5.0890 -5.0890 -4.8288 -4.8288 -4.5554 -4.5554 -3.6158 -3.6158 0.3844 0.3844 1.1787 1.1787 1.7050 1.7050 2.2296 2.2296 2.3714 2.3714 2.8195 2.8195 3.0651 3.0651 3.3445 3.3445 3.7634 3.7634 3.9718 3.9718 4.5198 4.5198 5.4561 5.4561 6.2496 6.2496 7.5664 7.5664 7.9442 7.9442 8.1052 8.1052 k = 0.5131-0.0025-1.7944 ( 4154 PWs) bands (ev): -7.0932 -7.0932 -7.0828 -7.0828 -6.9022 -6.9022 -5.0921 -5.0921 -4.8306 -4.8306 -4.5494 -4.5494 -3.6102 -3.6102 0.3798 0.3798 1.1785 1.1785 1.7043 1.7043 2.2715 2.2715 2.3925 2.3925 2.8605 2.8605 3.0447 3.0447 3.3019 3.3019 3.7380 3.7380 3.9569 3.9569 4.5550 4.5550 5.5422 5.5422 6.1494 6.1494 7.5394 7.5394 7.9505 7.9505 8.1135 8.1135 k = 0.5066 0.0386-1.7944 ( 4146 PWs) bands (ev): -7.0948 -7.0948 -7.0846 -7.0846 -6.9040 -6.9040 -5.0940 -5.0940 -4.8316 -4.8316 -4.5458 -4.5458 -3.6068 -3.6068 0.3770 0.3770 1.1783 1.1783 1.7036 1.7036 2.2954 2.2954 2.4091 2.4091 2.9047 2.9047 3.0105 3.0105 3.2771 3.2771 3.7215 3.7215 3.9467 3.9467 4.5792 4.5792 5.6103 5.6103 6.0720 6.0720 7.5214 7.5214 7.9527 7.9527 8.1208 8.1208 k = 0.5000 0.0797-1.7944 ( 4148 PWs) bands (ev): -7.0953 -7.0953 -7.0852 -7.0852 -6.9045 -6.9045 -5.0946 -5.0946 -4.8319 -4.8319 -4.5446 -4.5446 -3.6057 -3.6057 0.3761 0.3761 1.1783 1.1783 1.7033 1.7033 2.3029 2.3029 2.4157 2.4157 2.9366 2.9366 2.9810 2.9810 3.2694 3.2694 3.7157 3.7157 3.9432 3.9432 4.5878 4.5878 5.6386 5.6386 6.0405 6.0405 7.5152 7.5152 7.9532 7.9532 8.1235 8.1235 k = 0.5000 0.0797-1.7944 ( 4148 PWs) bands (ev): -7.0953 -7.0953 -7.0852 -7.0852 -6.9045 -6.9045 -5.0946 -5.0946 -4.8319 -4.8319 -4.5446 -4.5446 -3.6057 -3.6057 0.3761 0.3761 1.1783 1.1783 1.7033 1.7033 2.3029 2.3029 2.4157 2.4157 2.9366 2.9366 2.9810 2.9810 3.2694 3.2694 3.7157 3.7157 3.9432 3.9432 4.5878 4.5878 5.6386 5.6386 6.0405 6.0405 7.5152 7.5152 7.9532 7.9532 8.1235 8.1235 k = 0.5410 0.0863-1.7827 ( 4146 PWs) bands (ev): -7.0957 -7.0957 -7.0851 -7.0851 -6.9043 -6.9043 -5.0942 -5.0942 -4.8332 -4.8332 -4.5436 -4.5436 -3.6057 -3.6057 0.3734 0.3734 1.1857 1.1857 1.7045 1.7045 2.3025 2.3025 2.4126 2.4126 2.9062 2.9062 3.0039 3.0039 3.2579 3.2579 3.7300 3.7300 3.9521 3.9521 4.5861 4.5861 5.6227 5.6227 6.0580 6.0580 7.5170 7.5170 7.9320 7.9320 8.1374 8.1374 k = 0.5819 0.0928-1.7710 ( 4152 PWs) bands (ev): -7.0970 -7.0970 -7.0850 -7.0850 -6.9038 -6.9038 -5.0929 -5.0929 -4.8370 -4.8370 -4.5406 -4.5406 -3.6058 -3.6058 0.3657 0.3657 1.2072 1.2072 1.7080 1.7080 2.3009 2.3009 2.4039 2.4039 2.8558 2.8558 3.0256 3.0256 3.2378 3.2378 3.7643 3.7643 3.9784 3.9784 4.5818 4.5818 5.5815 5.5815 6.1039 6.1039 7.5205 7.5205 7.8848 7.8848 8.1644 8.1644 k = 0.6229 0.0993-1.7593 ( 4148 PWs) bands (ev): -7.0990 -7.0990 -7.0848 -7.0848 -6.9029 -6.9029 -5.0907 -5.0907 -4.8430 -4.8430 -4.5358 -4.5358 -3.6058 -3.6058 0.3543 0.3543 1.2415 1.2415 1.7138 1.7138 2.2968 2.2968 2.3917 2.3917 2.7978 2.7978 3.0196 3.0196 3.2384 3.2384 3.8041 3.8041 4.0177 4.0177 4.5780 4.5780 5.5266 5.5266 6.1663 6.1663 7.5188 7.5188 7.8353 7.8353 8.1807 8.1807 k = 0.6638 0.1058-1.7476 ( 4152 PWs) bands (ev): -7.1018 -7.1018 -7.0845 -7.0845 -6.9016 -6.9016 -5.0877 -5.0877 -4.8510 -4.8510 -4.5296 -4.5296 -3.6058 -3.6058 0.3405 0.3405 1.2864 1.2864 1.7215 1.7215 2.2881 2.2881 2.3788 2.3788 2.7330 2.7330 2.9877 2.9877 3.2684 3.2684 3.8422 3.8422 4.0600 4.0600 4.5796 4.5796 5.4661 5.4661 6.2367 6.2367 7.5003 7.5003 7.8031 7.8031 8.1438 8.1438 k = 0.6638 0.1058-1.7476 ( 4152 PWs) bands (ev): -7.1018 -7.1018 -7.0845 -7.0845 -6.9016 -6.9016 -5.0877 -5.0877 -4.8510 -4.8510 -4.5296 -4.5296 -3.6058 -3.6058 0.3405 0.3405 1.2864 1.2864 1.7215 1.7215 2.2881 2.2881 2.3788 2.3788 2.7330 2.7330 2.9877 2.9877 3.2684 3.2684 3.8422 3.8422 4.0600 4.0600 4.5796 4.5796 5.4661 5.4661 6.2367 6.2367 7.5003 7.5003 7.8031 7.8031 8.1438 8.1438 k = 0.6599 0.1052-1.7048 ( 4154 PWs) bands (ev): -7.1230 -7.1230 -7.0879 -7.0879 -6.8901 -6.8901 -5.0924 -5.0924 -4.8425 -4.8425 -4.5319 -4.5319 -3.5937 -3.5937 0.3349 0.3349 1.3245 1.3245 1.7249 1.7249 2.2893 2.2893 2.3755 2.3755 2.6839 2.6839 2.9964 2.9964 3.2641 3.2641 3.8590 3.8590 4.0896 4.0896 4.5965 4.5965 5.4767 5.4767 6.2217 6.2217 7.4693 7.4693 7.7990 7.7990 8.1133 8.1133 k = 0.6560 0.1046-1.6621 ( 4154 PWs) bands (ev): -7.1543 -7.1543 -7.0967 -7.0967 -6.8736 -6.8736 -5.0957 -5.0957 -4.8412 -4.8412 -4.5256 -4.5256 -3.5738 -3.5738 0.3335 0.3335 1.3652 1.3652 1.7335 1.7335 2.2920 2.2920 2.3718 2.3718 2.6390 2.6390 3.0098 3.0098 3.2615 3.2615 3.8722 3.8722 4.1253 4.1253 4.6156 4.6156 5.4894 5.4894 6.2062 6.2062 7.4358 7.4358 7.7935 7.7935 8.0921 8.0921 k = 0.6521 0.1040-1.6194 ( 4158 PWs) bands (ev): -7.1922 -7.1922 -7.1104 -7.1104 -6.8557 -6.8557 -5.1002 -5.1002 -4.8441 -4.8441 -4.5104 -4.5104 -3.5472 -3.5472 0.3366 0.3366 1.4069 1.4069 1.7480 1.7480 2.2946 2.2946 2.3678 2.3678 2.6025 2.6025 3.0269 3.0269 3.2606 3.2606 3.8830 3.8830 4.1649 4.1649 4.6367 4.6367 5.5042 5.5042 6.1899 6.1899 7.4014 7.4014 7.7878 7.7878 8.0795 8.0795 k = 0.6482 0.1034-1.5767 ( 4157 PWs) bands (ev): -7.2346 -7.2346 -7.1285 -7.1285 -6.8384 -6.8384 -5.1095 -5.1095 -4.8461 -4.8461 -4.4874 -4.4874 -3.5147 -3.5147 0.3449 0.3449 1.4476 1.4476 1.7687 1.7687 2.2938 2.2938 2.3664 2.3664 2.5771 2.5771 3.0471 3.0471 3.2616 3.2616 3.8925 3.8925 4.2060 4.2060 4.6597 4.6597 5.5212 5.5212 6.1725 6.1725 7.3678 7.3678 7.7829 7.7829 8.0737 8.0737 k = 0.6443 0.1027-1.5340 ( 4147 PWs) bands (ev): -7.2802 -7.2802 -7.1506 -7.1506 -6.8229 -6.8229 -5.1270 -5.1270 -4.8419 -4.8419 -4.4581 -4.4581 -3.4775 -3.4775 0.3584 0.3584 1.4859 1.4859 1.7952 1.7952 2.2863 2.2863 2.3720 2.3720 2.5637 2.5637 3.0700 3.0700 3.2645 3.2645 3.9016 3.9016 4.2469 4.2469 4.6840 4.6840 5.5403 5.5403 6.1539 6.1539 7.3369 7.3369 7.7793 7.7793 8.0729 8.0729 k = 0.6404 0.1021-1.4912 ( 4139 PWs) bands (ev): -7.3281 -7.3281 -7.1762 -7.1762 -6.8097 -6.8097 -5.1545 -5.1545 -4.8284 -4.8284 -4.4239 -4.4239 -3.4367 -3.4367 0.3775 0.3775 1.5208 1.5208 1.8261 1.8261 2.2746 2.2746 2.3862 2.3862 2.5611 2.5611 3.0952 3.0952 3.2699 3.2699 3.9108 3.9108 4.2865 4.2865 4.7089 4.7089 5.5618 5.5618 6.1340 6.1340 7.3104 7.3104 7.7775 7.7775 8.0751 8.0751 k = 0.6365 0.1015-1.4485 ( 4138 PWs) bands (ev): -7.3777 -7.3777 -7.2048 -7.2048 -6.7991 -6.7991 -5.1911 -5.1911 -4.8055 -4.8055 -4.3859 -4.3859 -3.3930 -3.3930 0.4024 0.4024 1.5520 1.5520 1.8585 1.8585 2.2648 2.2648 2.4075 2.4075 2.5675 2.5675 3.1226 3.1226 3.2780 3.2780 3.9207 3.9207 4.3240 4.3240 4.7336 4.7336 5.5855 5.5855 6.1128 6.1128 7.2894 7.2894 7.7775 7.7775 8.0776 8.0776 k = 0.6326 0.1009-1.4058 ( 4139 PWs) bands (ev): -7.4285 -7.4285 -7.2361 -7.2361 -6.7911 -6.7911 -5.2347 -5.2347 -4.7745 -4.7745 -4.3448 -4.3448 -3.3474 -3.3474 0.4332 0.4332 1.5798 1.5798 1.8888 1.8888 2.2629 2.2629 2.4345 2.4345 2.5816 2.5816 3.1517 3.1517 3.2893 3.2893 3.9313 3.9313 4.3589 4.3589 4.7572 4.7572 5.6116 5.6116 6.0904 6.0904 7.2750 7.2750 7.7792 7.7792 8.0771 8.0771 k = 0.6287 0.1002-1.3631 ( 4133 PWs) bands (ev): -7.4802 -7.4802 -7.2696 -7.2696 -6.7856 -6.7856 -5.2831 -5.2831 -4.7375 -4.7375 -4.3009 -4.3009 -3.3004 -3.3004 0.4701 0.4701 1.6047 1.6047 1.9138 1.9138 2.2725 2.2725 2.4660 2.4660 2.6032 2.6032 3.1822 3.1822 3.3044 3.3044 3.9428 3.9428 4.3911 4.3911 4.7788 4.7788 5.6400 5.6400 6.0672 6.0672 7.2674 7.2674 7.7822 7.7822 8.0693 8.0693 k = 0.6248 0.0996-1.3203 ( 4129 PWs) bands (ev): -7.5323 -7.5323 -7.3049 -7.3049 -6.7826 -6.7826 -5.3349 -5.3349 -4.6960 -4.6960 -4.2549 -4.2549 -3.2526 -3.2526 0.5129 0.5129 1.6272 1.6272 1.9327 1.9327 2.2942 2.2942 2.5003 2.5003 2.6332 2.6332 3.2137 3.2137 3.3241 3.3241 3.9554 3.9554 4.4203 4.4203 4.7976 4.7976 5.6706 5.6706 6.0436 6.0436 7.2667 7.2667 7.7855 7.7855 8.0522 8.0522 k = 0.6209 0.0990-1.2776 ( 4135 PWs) bands (ev): -7.5847 -7.5847 -7.3418 -7.3418 -6.7819 -6.7819 -5.3887 -5.3887 -4.6514 -4.6514 -4.2070 -4.2070 -3.2046 -3.2046 0.5617 0.5617 1.6476 1.6476 1.9478 1.9478 2.3253 2.3253 2.5353 2.5353 2.6733 2.6733 3.2460 3.2460 3.3490 3.3490 3.9691 3.9691 4.4465 4.4465 4.8132 4.8132 5.7033 5.7033 6.0203 6.0203 7.2723 7.2723 7.7875 7.7875 8.0281 8.0281 k = 0.6170 0.0984-1.2349 ( 4140 PWs) bands (ev): -7.6369 -7.6369 -7.3797 -7.3797 -6.7833 -6.7833 -5.4437 -5.4437 -4.6048 -4.6048 -4.1575 -4.1575 -3.1566 -3.1566 0.6163 0.6163 1.6663 1.6663 1.9624 1.9624 2.3624 2.3624 2.5688 2.5688 2.7244 2.7244 3.2795 3.2795 3.3794 3.3794 3.9840 3.9840 4.4693 4.4693 4.8253 4.8253 5.7378 5.7378 5.9980 5.9980 7.2833 7.2833 7.7852 7.7852 8.0021 8.0021 k = 0.6131 0.0978-1.1922 ( 4140 PWs) bands (ev): -7.6888 -7.6888 -7.4185 -7.4185 -6.7867 -6.7867 -5.4992 -5.4992 -4.5571 -4.5571 -4.1067 -4.1067 -3.1090 -3.1090 0.6765 0.6765 1.6838 1.6838 1.9795 1.9795 2.4025 2.4025 2.6003 2.6003 2.7849 2.7849 3.3152 3.3152 3.4153 3.4153 4.0000 4.0000 4.4884 4.4884 4.8344 4.8344 5.7734 5.7734 5.9774 5.9774 7.2985 7.2985 7.7737 7.7737 7.9805 7.9805 k = 0.6092 0.0971-1.1494 ( 4138 PWs) bands (ev): -7.7402 -7.7402 -7.4578 -7.4578 -6.7918 -6.7918 -5.5548 -5.5548 -4.5091 -4.5091 -4.0548 -4.0548 -3.0620 -3.0620 0.7421 0.7421 1.7010 1.7010 2.0011 2.0011 2.4441 2.4441 2.6305 2.6305 2.8515 2.8515 3.3549 3.3549 3.4562 3.4562 4.0172 4.0172 4.5032 4.5032 4.8410 4.8410 5.8093 5.8093 5.9598 5.9598 7.3164 7.3164 7.7481 7.7481 7.9692 7.9692 k = 0.6053 0.0965-1.1067 ( 4136 PWs) bands (ev): -7.7909 -7.7909 -7.4974 -7.4974 -6.7984 -6.7984 -5.6099 -5.6099 -4.4615 -4.4615 -4.0020 -4.0020 -3.0157 -3.0157 0.8128 0.8128 1.7191 1.7191 2.0277 2.0277 2.4862 2.4862 2.6602 2.6602 2.9202 2.9202 3.4004 3.4004 3.5017 3.5017 4.0358 4.0358 4.5129 4.5129 4.8464 4.8464 5.8428 5.8428 5.9477 5.9477 7.3350 7.3350 7.7079 7.7079 7.9695 7.9695 k = 0.6014 0.0959-1.0640 ( 4130 PWs) bands (ev): -7.8407 -7.8407 -7.5369 -7.5369 -6.8063 -6.8063 -5.6644 -5.6644 -4.4148 -4.4148 -3.9487 -3.9487 -2.9702 -2.9702 0.8880 0.8880 1.7396 1.7396 2.0595 2.0595 2.5285 2.5285 2.6900 2.6900 2.9871 2.9871 3.4535 3.4535 3.5516 3.5516 4.0558 4.0558 4.5171 4.5171 4.8515 4.8515 5.8668 5.8668 5.9480 5.9480 7.3517 7.3517 7.6573 7.6573 7.9783 7.9783 k = 0.5975 0.0953-1.0213 ( 4137 PWs) bands (ev): -7.8895 -7.8895 -7.5763 -7.5763 -6.8154 -6.8154 -5.7179 -5.7179 -4.3697 -4.3697 -3.8951 -3.8951 -2.9255 -2.9255 0.9673 0.9673 1.7637 1.7637 2.0960 2.0960 2.5707 2.5707 2.7207 2.7207 3.0491 3.0491 3.5144 3.5144 3.6063 3.6063 4.0776 4.0776 4.5154 4.5154 4.8576 4.8576 5.8733 5.8733 5.9686 5.9686 7.3624 7.3624 7.6028 7.6028 7.9913 7.9913 k = 0.5936 0.0946-0.9786 ( 4139 PWs) bands (ev): -7.9372 -7.9372 -7.6153 -7.6153 -6.8255 -6.8255 -5.7704 -5.7704 -4.3263 -4.3263 -3.8416 -3.8416 -2.8816 -2.8816 1.0501 1.0501 1.7929 1.7929 2.1368 2.1368 2.6122 2.6122 2.7529 2.7529 3.1049 3.1049 3.5809 3.5809 3.6672 3.6672 4.1017 4.1017 4.5080 4.5080 4.8653 4.8653 5.8684 5.8684 6.0030 6.0030 7.3586 7.3586 7.5542 7.5542 8.0050 8.0050 k = 0.5897 0.0940-0.9358 ( 4137 PWs) bands (ev): -7.9835 -7.9835 -7.6537 -7.6537 -6.8364 -6.8364 -5.8215 -5.8215 -4.2850 -4.2850 -3.7884 -3.7884 -2.8385 -2.8385 1.1357 1.1357 1.8281 1.8281 2.1815 2.1815 2.6524 2.6524 2.7872 2.7872 3.1542 3.1542 3.6485 3.6485 3.7363 3.7363 4.1288 4.1288 4.4961 4.4961 4.8747 4.8747 5.8604 5.8604 6.0425 6.0425 7.3284 7.3284 7.5243 7.5243 8.0158 8.0158 k = 0.5858 0.0934-0.8931 ( 4134 PWs) bands (ev): -8.0285 -8.0285 -7.6913 -7.6913 -6.8479 -6.8479 -5.8711 -5.8711 -4.2461 -4.2461 -3.7360 -3.7360 -2.7961 -2.7961 1.2234 1.2234 1.8701 1.8701 2.2297 2.2297 2.6906 2.6906 2.8245 2.8245 3.1981 3.1981 3.7131 3.7131 3.8133 3.8133 4.1600 4.1600 4.4813 4.4813 4.8857 4.8857 5.8521 5.8521 6.0840 6.0840 7.2699 7.2699 7.5155 7.5155 8.0205 8.0205 k = 0.5819 0.0928-0.8504 ( 4127 PWs) bands (ev): -8.0720 -8.0720 -7.7280 -7.7280 -6.8598 -6.8598 -5.9192 -5.9192 -4.2095 -4.2095 -3.6848 -3.6848 -2.7544 -2.7544 1.3125 1.3125 1.9195 1.9195 2.2811 2.2811 2.7259 2.7259 2.8654 2.8654 3.2378 3.2378 3.7738 3.7738 3.8933 3.8933 4.1964 4.1964 4.4667 4.4667 4.8980 4.8980 5.8444 5.8444 6.1262 6.1262 7.1939 7.1939 7.5177 7.5177 8.0150 8.0150 k = 0.5780 0.0922-0.8077 ( 4119 PWs) bands (ev): -8.1139 -8.1139 -7.7637 -7.7637 -6.8722 -6.8722 -5.9655 -5.9655 -4.1754 -4.1754 -3.6352 -3.6352 -2.7132 -2.7132 1.4025 1.4025 1.9766 1.9766 2.3355 2.3355 2.7582 2.7582 2.9101 2.9101 3.2745 3.2745 3.8309 3.8309 3.9694 3.9694 4.2367 4.2367 4.4581 4.4581 4.9114 4.9114 5.8375 5.8375 6.1684 6.1684 7.1086 7.1086 7.5229 7.5229 7.9953 7.9953 k = 0.5741 0.0915-0.7649 ( 4126 PWs) bands (ev): -8.1542 -8.1542 -7.7983 -7.7983 -6.8847 -6.8847 -6.0101 -6.0101 -4.1438 -4.1438 -3.5876 -3.5876 -2.6727 -2.6727 1.4926 1.4926 2.0411 2.0411 2.3929 2.3929 2.7875 2.7875 2.9585 2.9585 3.3091 3.3091 3.8843 3.8843 4.0368 4.0368 4.2721 4.2721 4.4674 4.4674 4.9261 4.9261 5.8315 5.8315 6.2104 6.2104 7.0183 7.0183 7.5271 7.5271 7.9581 7.9581 k = 0.5702 0.0909-0.7222 ( 4125 PWs) bands (ev): -8.1927 -8.1927 -7.8316 -7.8316 -6.8972 -6.8972 -6.0528 -6.0528 -4.1146 -4.1146 -3.5422 -3.5422 -2.6325 -2.6325 1.5828 1.5828 2.1124 2.1124 2.4532 2.4532 2.8145 2.8145 3.0101 3.0101 3.3423 3.3423 3.9329 3.9329 4.0953 4.0953 4.2876 4.2876 4.5074 4.5074 4.9435 4.9435 5.8263 5.8263 6.2517 6.2517 6.9256 6.9256 7.5280 7.5280 7.9029 7.9029 k = 0.5663 0.0903-0.6795 ( 4127 PWs) bands (ev): -8.2295 -8.2295 -7.8636 -7.8636 -6.9098 -6.9098 -6.0935 -6.0935 -4.0878 -4.0878 -3.4994 -3.4994 -2.5928 -2.5928 1.6730 1.6730 2.1891 2.1891 2.5165 2.5165 2.8397 2.8397 3.0643 3.0643 3.3743 3.3743 3.9753 3.9753 4.1478 4.1478 4.2837 4.2837 4.5713 4.5713 4.9663 4.9663 5.8219 5.8219 6.2921 6.2921 6.8324 6.8324 7.5235 7.5235 7.8338 7.8338 k = 0.5624 0.0897-0.6368 ( 4128 PWs) bands (ev): -8.2645 -8.2645 -7.8941 -7.8941 -6.9221 -6.9221 -6.1322 -6.1322 -4.0633 -4.0633 -3.4595 -3.4595 -2.5537 -2.5537 1.7634 1.7634 2.2691 2.2691 2.5831 2.5831 2.8642 2.8642 3.1208 3.1208 3.4054 3.4054 4.0105 4.0105 4.1957 4.1957 4.2732 4.2732 4.6387 4.6387 4.9996 4.9996 5.8182 5.8182 6.3310 6.3310 6.7407 6.7407 7.5108 7.5108 7.7574 7.7574 k = 0.5585 0.0891-0.5940 ( 4130 PWs) bands (ev): -8.2975 -8.2975 -7.9232 -7.9232 -6.9342 -6.9342 -6.1688 -6.1688 -4.0410 -4.0410 -3.4225 -3.4225 -2.5150 -2.5150 1.8543 1.8543 2.3497 2.3497 2.6530 2.6530 2.8892 2.8892 3.1790 3.1790 3.4357 3.4357 4.0382 4.0382 4.2246 4.2246 4.2788 4.2788 4.6927 4.6927 5.0492 5.0492 5.8156 5.8156 6.3676 6.3676 6.6534 6.6534 7.4859 7.4859 7.6818 7.6818 k = 0.5546 0.0884-0.5513 ( 4130 PWs) bands (ev): -8.3286 -8.3286 -7.9506 -7.9506 -6.9460 -6.9460 -6.2033 -6.2033 -4.0208 -4.0208 -3.3887 -3.3887 -2.4770 -2.4770 1.9460 1.9460 2.4278 2.4278 2.7259 2.7259 2.9171 2.9171 3.2387 3.2387 3.4652 3.4652 4.0591 4.0591 4.2181 4.2181 4.3196 4.3196 4.7258 4.7258 5.1157 5.1157 5.8148 5.8148 6.3988 6.3988 6.5755 6.5755 7.4440 7.4440 7.6150 7.6150 k = 0.5507 0.0878-0.5086 ( 4124 PWs) bands (ev): -8.3577 -8.3577 -7.9764 -7.9764 -6.9573 -6.9573 -6.2355 -6.2355 -4.0025 -4.0025 -3.3580 -3.3580 -2.4399 -2.4399 2.0390 2.0390 2.5002 2.5002 2.7992 2.7992 2.9518 2.9518 3.2995 3.2995 3.4937 3.4937 4.0742 4.0742 4.2034 4.2034 4.3682 4.3682 4.7399 4.7399 5.1909 5.1909 5.8178 5.8178 6.4111 6.4111 6.5229 6.5229 7.3844 7.3844 7.5596 7.5596 k = 0.5468 0.0872-0.4659 ( 4126 PWs) bands (ev): -8.3848 -8.3848 -8.0005 -8.0005 -6.9680 -6.9680 -6.2655 -6.2655 -3.9861 -3.9861 -3.3304 -3.3304 -2.4039 -2.4039 2.1332 2.1332 2.5641 2.5641 2.8671 2.8671 3.0003 3.0003 3.3611 3.3611 3.5211 3.5211 4.0840 4.0840 4.1893 4.1893 4.4140 4.4140 4.7414 4.7414 5.2621 5.2621 5.8289 5.8289 6.3817 6.3817 6.5211 6.5211 7.3140 7.3140 7.5109 7.5109 k = 0.5429 0.0866-0.4231 ( 4125 PWs) bands (ev): -8.4099 -8.4099 -8.0228 -8.0228 -6.9782 -6.9782 -6.2933 -6.2933 -3.9715 -3.9715 -3.3059 -3.3059 -2.3692 -2.3692 2.2286 2.2286 2.6177 2.6177 2.9241 2.9241 3.0683 3.0683 3.4232 3.4232 3.5474 3.5474 4.0889 4.0889 4.1778 4.1778 4.4516 4.4516 4.7371 4.7371 5.3158 5.3158 5.8542 5.8542 6.3364 6.3364 6.5468 6.5468 7.2406 7.2406 7.4627 7.4627 k = 0.5390 0.0859-0.3804 ( 4141 PWs) bands (ev): -8.4329 -8.4329 -8.0434 -8.0434 -6.9877 -6.9877 -6.3187 -6.3187 -3.9585 -3.9585 -3.2844 -3.2844 -2.3362 -2.3362 2.3251 2.3251 2.6604 2.6604 2.9729 2.9729 3.1517 3.1517 3.4855 3.4855 3.5725 3.5725 4.0891 4.0891 4.1698 4.1698 4.4749 4.4749 4.7336 4.7336 5.3426 5.3426 5.8989 5.8989 6.2989 6.2989 6.5788 6.5788 7.1694 7.1694 7.4121 7.4121 k = 0.5351 0.0853-0.3377 ( 4145 PWs) bands (ev): -8.4537 -8.4537 -8.0621 -8.0621 -6.9964 -6.9964 -6.3419 -6.3419 -3.9471 -3.9471 -3.2656 -3.2656 -2.3052 -2.3052 2.4218 2.4218 2.6930 2.6930 3.0192 3.0192 3.2419 3.2419 3.5474 3.5474 3.5969 3.5969 4.0854 4.0854 4.1654 4.1654 4.4782 4.4782 4.7365 4.7365 5.3409 5.3409 5.9614 5.9614 6.2762 6.2762 6.6121 6.6121 7.1031 7.1031 7.3582 7.3582 k = 0.5312 0.0847-0.2950 ( 4141 PWs) bands (ev): -8.4724 -8.4724 -8.0789 -8.0789 -7.0044 -7.0044 -6.3626 -6.3626 -3.9371 -3.9371 -3.2493 -3.2493 -2.2764 -2.2764 2.5175 2.5175 2.7178 2.7178 3.0656 3.0656 3.3322 3.3322 3.6049 3.6049 3.6242 3.6242 4.0793 4.0793 4.1636 4.1636 4.4603 4.4603 4.7465 4.7465 5.3166 5.3166 6.0339 6.0339 6.2719 6.2719 6.6450 6.6450 7.0431 7.0431 7.3011 7.3011 k = 0.5273 0.0841-0.2523 ( 4137 PWs) bands (ev): -8.4890 -8.4890 -8.0938 -8.0938 -7.0115 -7.0115 -6.3809 -6.3809 -3.9285 -3.9285 -3.2355 -3.2355 -2.2501 -2.2501 2.6093 2.6093 2.7388 2.7388 3.1115 3.1115 3.4181 3.4181 3.6366 3.6366 3.6753 3.6753 4.0730 4.0730 4.1632 4.1632 4.4253 4.4253 4.7596 4.7596 5.2778 5.2778 6.1061 6.1061 6.2895 6.2895 6.6761 6.6761 6.9904 6.9904 7.2412 7.2412 k = 0.5234 0.0835-0.2095 ( 4127 PWs) bands (ev): -8.5034 -8.5034 -8.1067 -8.1067 -7.0178 -7.0178 -6.3968 -6.3968 -3.9211 -3.9211 -3.2239 -3.2239 -2.2267 -2.2267 2.6857 2.6857 2.7678 2.7678 3.1554 3.1554 3.4959 3.4959 3.6587 3.6587 3.7327 3.7327 4.0689 4.0689 4.1629 4.1629 4.3791 4.3791 4.7712 4.7712 5.2311 5.2311 6.1702 6.1702 6.3310 6.3310 6.7038 6.7038 6.9461 6.9461 7.1788 7.1788 k = 0.5195 0.0828-0.1668 ( 4129 PWs) bands (ev): -8.5156 -8.5156 -8.1177 -8.1177 -7.0232 -7.0232 -6.4103 -6.4103 -3.9150 -3.9150 -3.2145 -3.2145 -2.2064 -2.2064 2.7231 2.7231 2.8284 2.8284 3.1954 3.1954 3.5636 3.5636 3.6797 3.6797 3.7846 3.7846 4.0701 4.0701 4.1607 4.1607 4.3278 4.3278 4.7790 4.7790 5.1811 5.1811 6.2276 6.2276 6.3905 6.3905 6.7249 6.7249 6.9120 6.9120 7.1142 7.1142 k = 0.5156 0.0822-0.1241 ( 4125 PWs) bands (ev): -8.5255 -8.5255 -8.1268 -8.1268 -7.0276 -7.0276 -6.4214 -6.4214 -3.9101 -3.9101 -3.2069 -3.2069 -2.1895 -2.1895 2.7357 2.7357 2.9051 2.9051 3.2291 3.2291 3.6210 3.6210 3.7000 3.7000 3.8244 3.8244 4.0802 4.0802 4.1533 4.1533 4.2788 4.2788 4.7827 4.7827 5.1318 5.1318 6.2852 6.2852 6.4566 6.4566 6.7341 6.7341 6.8906 6.8906 7.0488 7.0488 k = 0.5117 0.0816-0.0814 ( 4118 PWs) bands (ev): -8.5333 -8.5333 -8.1338 -8.1338 -7.0311 -7.0311 -6.4301 -6.4301 -3.9063 -3.9063 -3.2011 -3.2011 -2.1761 -2.1761 2.7412 2.7412 2.9777 2.9777 3.2544 3.2544 3.6703 3.6703 3.7188 3.7188 3.8464 3.8464 4.0995 4.0995 4.1359 4.1359 4.2417 4.2417 4.7837 4.7837 5.0863 5.0863 6.3469 6.3469 6.5200 6.5200 6.7278 6.7278 6.8811 6.8811 6.9867 6.9867 k = 0.5078 0.0810-0.0386 ( 4121 PWs) bands (ev): -8.5389 -8.5389 -8.1388 -8.1388 -7.0336 -7.0336 -6.4362 -6.4362 -3.9036 -3.9036 -3.1971 -3.1971 -2.1664 -2.1664 2.7440 2.7440 3.0380 3.0380 3.2700 3.2700 3.7149 3.7149 3.7340 3.7340 3.8486 3.8486 4.1026 4.1026 4.1317 4.1317 4.2205 4.2205 4.7836 4.7836 5.0486 5.0486 6.4116 6.4116 6.5719 6.5719 6.7111 6.7111 6.8656 6.8656 6.9440 6.9440 k = 0.5039 0.0803 0.0041 ( 4125 PWs) bands (ev): -8.5422 -8.5422 -8.1419 -8.1419 -7.0351 -7.0351 -6.4400 -6.4400 -3.9021 -3.9021 -3.1947 -3.1947 -2.1606 -2.1606 2.7453 2.7453 3.0793 3.0793 3.2768 3.2768 3.7433 3.7433 3.7571 3.7571 3.8330 3.8330 4.0807 4.0807 4.1543 4.1543 4.2080 4.2080 4.7835 4.7835 5.0230 5.0230 6.4724 6.4724 6.5950 6.5950 6.7035 6.7035 6.8279 6.8279 6.9348 6.9348 k = 0.5000 0.0797 0.0468 ( 4142 PWs) bands (ev): -8.5434 -8.5434 -8.1429 -8.1429 -7.0356 -7.0356 -6.4412 -6.4412 -3.9016 -3.9016 -3.1940 -3.1940 -2.1586 -2.1586 2.7457 2.7457 3.0942 3.0942 3.2783 3.2783 3.7467 3.7467 3.7857 3.7857 3.8125 3.8125 4.0720 4.0720 4.1657 4.1657 4.2020 4.2020 4.7835 4.7835 5.0139 5.0139 6.5047 6.5047 6.5890 6.5890 6.7107 6.7107 6.8043 6.8043 6.9356 6.9356 k = 0.5000-1.5281-0.8972 ( 4164 PWs) bands (ev): -7.1011 -7.1011 -7.0794 -7.0794 -6.9045 -6.9045 -4.9963 -4.9963 -4.9892 -4.9892 -4.4714 -4.4714 -3.6209 -3.6209 0.2764 0.2764 1.5913 1.5913 1.7580 1.7580 2.2009 2.2009 2.2743 2.2743 2.4402 2.4402 2.7700 2.7700 3.7623 3.7623 3.7864 3.7864 4.0778 4.0778 4.7716 4.7716 5.1212 5.1212 6.6459 6.6459 7.3884 7.3884 7.4600 7.4600 8.1546 8.1546 k = 0.5410-1.5181-0.8913 ( 4170 PWs) bands (ev): -7.1011 -7.1011 -7.0795 -7.0795 -6.9044 -6.9044 -5.0101 -5.0101 -4.9745 -4.9745 -4.4727 -4.4727 -3.6206 -3.6206 0.2776 0.2776 1.5808 1.5808 1.7599 1.7599 2.1969 2.1969 2.2873 2.2873 2.4422 2.4422 2.7739 2.7739 3.7072 3.7072 3.8373 3.8373 4.0750 4.0750 4.7643 4.7643 5.1286 5.1286 6.6391 6.6391 7.3613 7.3613 7.5022 7.5022 8.1402 8.1402 k = 0.5819-1.5081-0.8855 ( 4163 PWs) bands (ev): -7.1010 -7.1010 -7.0798 -7.0798 -6.9043 -6.9043 -5.0257 -5.0257 -4.9559 -4.9559 -4.4765 -4.4765 -3.6195 -3.6195 0.2813 0.2813 1.5526 1.5526 1.7629 1.7629 2.1935 2.1935 2.3150 2.3150 2.4507 2.4507 2.7857 2.7857 3.6397 3.6397 3.8906 3.8906 4.0684 4.0684 4.7436 4.7436 5.1501 5.1501 6.6179 6.6179 7.3334 7.3334 7.5754 7.5754 8.1023 8.1023 k = 0.6229-1.4982-0.8796 ( 4156 PWs) bands (ev): -7.1009 -7.1009 -7.0804 -7.0804 -6.9041 -6.9041 -5.0400 -5.0400 -4.9368 -4.9368 -4.4825 -4.4825 -3.6179 -3.6179 0.2872 0.2872 1.5134 1.5134 1.7628 1.7628 2.1982 2.1982 2.3408 2.3408 2.4721 2.4721 2.8049 2.8049 3.5714 3.5714 3.9284 3.9284 4.0644 4.0644 4.7124 4.7124 5.1841 5.1841 6.5810 6.5810 7.3269 7.3269 7.6555 7.6555 8.0525 8.0525 k = 0.6638-1.4882-0.8738 ( 4157 PWs) bands (ev): -7.1008 -7.1008 -7.0811 -7.0811 -6.9037 -6.9037 -5.0530 -5.0530 -4.9176 -4.9176 -4.4905 -4.4905 -3.6157 -3.6157 0.2952 0.2952 1.4683 1.4683 1.7583 1.7583 2.2115 2.2115 2.3557 2.3557 2.5109 2.5109 2.8310 2.8310 3.5036 3.5036 3.9401 3.9401 4.0719 4.0719 4.6752 4.6752 5.2284 5.2284 6.5287 6.5287 7.3435 7.3435 7.7332 7.7332 8.0045 8.0045 k = 0.7048-1.4783-0.8679 ( 4150 PWs) bands (ev): -7.1008 -7.1008 -7.0820 -7.0820 -6.9033 -6.9033 -5.0643 -5.0643 -4.8988 -4.8988 -4.4999 -4.4999 -3.6133 -3.6133 0.3050 0.3050 1.4208 1.4208 1.7504 1.7504 2.2309 2.2309 2.3619 2.3619 2.5625 2.5625 2.8636 2.8636 3.4376 3.4376 3.9277 3.9277 4.0869 4.0869 4.6377 4.6377 5.2808 5.2808 6.4641 6.4641 7.3785 7.3785 7.7916 7.7916 7.9799 7.9799 k = 0.7457-1.4683-0.8621 ( 4152 PWs) bands (ev): -7.1009 -7.1009 -7.0829 -7.0829 -6.9028 -6.9028 -5.0739 -5.0739 -4.8809 -4.8809 -4.5101 -4.5101 -3.6107 -3.6107 0.3161 0.3161 1.3734 1.3734 1.7407 1.7407 2.2528 2.2528 2.3652 2.3652 2.6196 2.6196 2.9021 2.9021 3.3748 3.3748 3.9030 3.9030 4.0945 4.0945 4.6066 4.6066 5.3393 5.3393 6.3912 6.3912 7.4239 7.4239 7.8062 7.8062 8.0083 8.0083 k = 0.7867-1.4583-0.8562 ( 4152 PWs) bands (ev): -7.1012 -7.1012 -7.0838 -7.0838 -6.9023 -6.9023 -5.0817 -5.0817 -4.8647 -4.8647 -4.5203 -4.5203 -3.6082 -3.6082 0.3282 0.3282 1.3281 1.3281 1.7307 1.7307 2.2731 2.2731 2.3700 2.3700 2.6774 2.6774 2.9448 2.9448 3.3172 3.3172 3.8735 3.8735 4.0857 4.0857 4.5870 4.5870 5.4018 5.4018 6.3142 6.3142 7.4687 7.4687 7.7979 7.7979 8.0746 8.0746 k = 0.8276-1.4484-0.8504 ( 4152 PWs) bands (ev): -7.1018 -7.1018 -7.0845 -7.0845 -6.9016 -6.9016 -5.0877 -5.0877 -4.8510 -4.8510 -4.5296 -4.5296 -3.6058 -3.6058 0.3405 0.3405 1.2864 1.2864 1.7215 1.7215 2.2881 2.2881 2.3788 2.3788 2.7330 2.7330 2.9877 2.9877 3.2684 3.2684 3.8422 3.8422 4.0600 4.0600 4.5796 4.5796 5.4661 5.4661 6.2367 6.2367 7.5003 7.5003 7.8031 7.8031 8.1438 8.1438 Writing output data file Bi4Se3.save init_run : 0.16s CPU 0.38s WALL ( 1 calls) electrons : 657.29s CPU 673.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.08s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 657.28s CPU 673.39s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.06s WALL ( 268 calls) cegterg : 616.23s CPU 631.01s WALL ( 557 calls) Called by sum_band: Called by *egterg: h_psi : 575.32s CPU 594.31s WALL ( 9966 calls) g_psi : 0.33s CPU 0.36s WALL ( 9141 calls) cdiaghg : 54.91s CPU 51.34s WALL ( 9409 calls) cegterg:over : 10.93s CPU 9.90s WALL ( 9141 calls) cegterg:upda : 2.98s CPU 5.25s WALL ( 9141 calls) cegterg:last : 2.32s CPU 3.05s WALL ( 1629 calls) Called by h_psi: h_psi:vloc : 565.95s CPU 584.29s WALL ( 9966 calls) h_psi:vnl : 9.26s CPU 9.75s WALL ( 9966 calls) add_vuspsi : 2.90s CPU 3.58s WALL ( 9966 calls) General routines calbec : 6.34s CPU 6.14s WALL ( 9966 calls) fft : 0.02s CPU 0.05s WALL ( 13 calls) fftw : 536.74s CPU 550.51s WALL ( 884344 calls) davcio : 0.06s CPU 0.17s WALL ( 536 calls) Parallel routines fft_scatter : 215.45s CPU 194.49s WALL ( 884357 calls) PWSCF : 11m15.38s CPU 11m54.84s WALL This run was terminated on: 0:46:35 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=