Program PWSCF v.5.1.1 starts on 23Nov2015 at 15:15:30 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AlBiO3.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 49 28 7 1558 679 101 Max 50 29 8 1561 704 107 Sum 2355 1361 383 74875 33037 5041 bravais-lattice index = 14 lattice parameter (alat) = 10.2800 a.u. unit-cell volume = 759.3010 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.279983 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.507660 celldm(5)= 0.507660 celldm(6)= 0.507660 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.507660 0.861557 0.000000 ) a(3) = ( 0.507660 0.290104 0.811246 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.589236 -0.415066 ) b(2) = ( 0.000000 1.160689 -0.415066 ) b(3) = ( 0.000000 0.000000 1.232671 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 PseudoPot. # 3 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Bi 5.00 208.98040 Bi( 1.00) Al 3.00 26.98150 Al( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 265 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0138889 -0.0081838 -0.0057648), wk = 0.0037736 k( 3) = ( 0.0277778 -0.0163677 -0.0115296), wk = 0.0037736 k( 4) = ( 0.0416667 -0.0245515 -0.0172944), wk = 0.0037736 k( 5) = ( 0.0555556 -0.0327353 -0.0230592), wk = 0.0037736 k( 6) = ( 0.0694444 -0.0409192 -0.0288240), wk = 0.0037736 k( 7) = ( 0.0833333 -0.0491030 -0.0345888), wk = 0.0037736 k( 8) = ( 0.0972222 -0.0572868 -0.0403536), wk = 0.0037736 k( 9) = ( 0.1111111 -0.0654706 -0.0461184), wk = 0.0037736 k( 10) = ( 0.1250000 -0.0736545 -0.0518832), wk = 0.0037736 k( 11) = ( 0.1388889 -0.0818383 -0.0576480), wk = 0.0037736 k( 12) = ( 0.1527778 -0.0900221 -0.0634128), wk = 0.0037736 k( 13) = ( 0.1666667 -0.0982060 -0.0691776), wk = 0.0037736 k( 14) = ( 0.1805556 -0.1063898 -0.0749425), wk = 0.0037736 k( 15) = ( 0.1944444 -0.1145736 -0.0807073), wk = 0.0037736 k( 16) = ( 0.2083333 -0.1227575 -0.0864721), wk = 0.0037736 k( 17) = ( 0.2222222 -0.1309413 -0.0922369), wk = 0.0037736 k( 18) = ( 0.2361111 -0.1391251 -0.0980017), wk = 0.0037736 k( 19) = ( 0.2500000 -0.1473090 -0.1037665), wk = 0.0037736 k( 20) = ( 0.2638889 -0.1554928 -0.1095313), wk = 0.0037736 k( 21) = ( 0.2777778 -0.1636766 -0.1152961), wk = 0.0037736 k( 22) = ( 0.2916667 -0.1718604 -0.1210609), wk = 0.0037736 k( 23) = ( 0.3055556 -0.1800443 -0.1268257), wk = 0.0037736 k( 24) = ( 0.3194444 -0.1882281 -0.1325905), wk = 0.0037736 k( 25) = ( 0.3333333 -0.1964119 -0.1383553), wk = 0.0037736 k( 26) = ( 0.3472222 -0.2045958 -0.1441201), wk = 0.0037736 k( 27) = ( 0.3611111 -0.2127796 -0.1498849), wk = 0.0037736 k( 28) = ( 0.3750000 -0.2209634 -0.1556497), wk = 0.0037736 k( 29) = ( 0.3888889 -0.2291473 -0.1614145), wk = 0.0037736 k( 30) = ( 0.4027778 -0.2373311 -0.1671793), wk = 0.0037736 k( 31) = ( 0.4166667 -0.2455149 -0.1729441), wk = 0.0037736 k( 32) = ( 0.4305556 -0.2536988 -0.1787089), wk = 0.0037736 k( 33) = ( 0.4444444 -0.2618826 -0.1844737), wk = 0.0037736 k( 34) = ( 0.4583333 -0.2700664 -0.1902385), wk = 0.0037736 k( 35) = ( 0.4722222 -0.2782502 -0.1960033), wk = 0.0037736 k( 36) = ( 0.4861111 -0.2864341 -0.2017681), wk = 0.0037736 k( 37) = ( 0.5000000 -0.2946179 -0.2075329), wk = 0.0037736 k( 38) = ( 0.5000000 -0.2946179 -0.2075329), wk = 0.0037736 k( 39) = ( 0.5000000 -0.2846880 -0.2216296), wk = 0.0037736 k( 40) = ( 0.5000000 -0.2747582 -0.2357262), wk = 0.0037736 k( 41) = ( 0.5000000 -0.2648283 -0.2498229), wk = 0.0037736 k( 42) = ( 0.5000000 -0.2548984 -0.2639195), wk = 0.0037736 k( 43) = ( 0.5000000 -0.2449685 -0.2780162), wk = 0.0037736 k( 44) = ( 0.5000000 -0.2350387 -0.2921128), wk = 0.0037736 k( 45) = ( 0.5000000 -0.2251088 -0.3062095), wk = 0.0037736 k( 46) = ( 0.5000000 -0.2151789 -0.3203061), wk = 0.0037736 k( 47) = ( 0.5000000 -0.2052491 -0.3344027), wk = 0.0037736 k( 48) = ( 0.5000000 -0.1953192 -0.3484994), wk = 0.0037736 k( 49) = ( 0.5000000 -0.1853893 -0.3625960), wk = 0.0037736 k( 50) = ( 0.5000000 -0.1754594 -0.3766927), wk = 0.0037736 k( 51) = ( 0.5000000 -0.1655296 -0.3907893), wk = 0.0037736 k( 52) = ( 0.5000000 -0.1555997 -0.4048860), wk = 0.0037736 k( 53) = ( 0.5000000 -0.1456698 -0.4189826), wk = 0.0037736 k( 54) = ( 0.5000000 -0.1357399 -0.4330793), wk = 0.0037736 k( 55) = ( 0.5000000 -0.1258101 -0.4471759), wk = 0.0037736 k( 56) = ( 0.5000000 -0.1158802 -0.4612726), wk = 0.0037736 k( 57) = ( 0.5000000 -0.1059503 -0.4753692), wk = 0.0037736 k( 58) = ( 0.5000000 -0.0960205 -0.4894658), wk = 0.0037736 k( 59) = ( 0.5000000 -0.0860906 -0.5035625), wk = 0.0037736 k( 60) = ( 0.5000000 -0.0761607 -0.5176591), wk = 0.0037736 k( 61) = ( 0.5000000 -0.0662308 -0.5317558), wk = 0.0037736 k( 62) = ( 0.5000000 -0.0563010 -0.5458524), wk = 0.0037736 k( 63) = ( 0.5000000 -0.0463711 -0.5599491), wk = 0.0037736 k( 64) = ( 0.5000000 -0.0364412 -0.5740457), wk = 0.0037736 k( 65) = ( 0.5000000 -0.0265114 -0.5881424), wk = 0.0037736 k( 66) = ( 0.5000000 -0.0165815 -0.6022390), wk = 0.0037736 k( 67) = ( 0.5000000 -0.0066516 -0.6163356), wk = 0.0037736 k( 68) = ( 0.7519005 0.1372978 -0.2137961), wk = 0.0037736 k( 69) = ( 0.7435038 0.1422454 -0.1999606), wk = 0.0037736 k( 70) = ( 0.7351072 0.1471930 -0.1861251), wk = 0.0037736 k( 71) = ( 0.7267105 0.1521406 -0.1722895), wk = 0.0037736 k( 72) = ( 0.7183138 0.1570883 -0.1584540), wk = 0.0037736 k( 73) = ( 0.7099171 0.1620359 -0.1446185), wk = 0.0037736 k( 74) = ( 0.7015204 0.1669835 -0.1307829), wk = 0.0037736 k( 75) = ( 0.6931238 0.1719311 -0.1169474), wk = 0.0037736 k( 76) = ( 0.6847271 0.1768788 -0.1031119), wk = 0.0037736 k( 77) = ( 0.6763304 0.1818264 -0.0892764), wk = 0.0037736 k( 78) = ( 0.6679337 0.1867740 -0.0754408), wk = 0.0037736 k( 79) = ( 0.6595370 0.1917217 -0.0616053), wk = 0.0037736 k( 80) = ( 0.6511403 0.1966693 -0.0477698), wk = 0.0037736 k( 81) = ( 0.6427436 0.2016169 -0.0339342), wk = 0.0037736 k( 82) = ( 0.6343469 0.2065645 -0.0200987), wk = 0.0037736 k( 83) = ( 0.6259503 0.2115122 -0.0062632), wk = 0.0037736 k( 84) = ( 0.6175536 0.2164598 0.0075723), wk = 0.0037736 k( 85) = ( 0.6091569 0.2214074 0.0214079), wk = 0.0037736 k( 86) = ( 0.6007602 0.2263550 0.0352434), wk = 0.0037736 k( 87) = ( 0.5923635 0.2313027 0.0490789), wk = 0.0037736 k( 88) = ( 0.5839669 0.2362503 0.0629145), wk = 0.0037736 k( 89) = ( 0.5755702 0.2411979 0.0767500), wk = 0.0037736 k( 90) = ( 0.5671735 0.2461456 0.0905855), wk = 0.0037736 k( 91) = ( 0.5587768 0.2510932 0.1044211), wk = 0.0037736 k( 92) = ( 0.5503801 0.2560408 0.1182566), wk = 0.0037736 k( 93) = ( 0.5419834 0.2609884 0.1320921), wk = 0.0037736 k( 94) = ( 0.5335867 0.2659361 0.1459276), wk = 0.0037736 k( 95) = ( 0.5251900 0.2708837 0.1597632), wk = 0.0037736 k( 96) = ( 0.5167934 0.2758313 0.1735987), wk = 0.0037736 k( 97) = ( 0.5083967 0.2807789 0.1874342), wk = 0.0037736 k( 98) = ( 0.5000000 0.2857266 0.2012698), wk = 0.0037736 k( 99) = ( 0.5000000 0.2857266 0.2012698), wk = 0.0037736 k( 100) = ( 0.4861111 0.2777897 0.1956789), wk = 0.0037736 k( 101) = ( 0.4722222 0.2698529 0.1900881), wk = 0.0037736 k( 102) = ( 0.4583333 0.2619160 0.1844973), wk = 0.0037736 k( 103) = ( 0.4444444 0.2539792 0.1789065), wk = 0.0037736 k( 104) = ( 0.4305556 0.2460423 0.1733156), wk = 0.0037736 k( 105) = ( 0.4166667 0.2381055 0.1677248), wk = 0.0037736 k( 106) = ( 0.4027778 0.2301686 0.1621340), wk = 0.0037736 k( 107) = ( 0.3888889 0.2222318 0.1565431), wk = 0.0037736 k( 108) = ( 0.3750000 0.2142949 0.1509523), wk = 0.0037736 k( 109) = ( 0.3611111 0.2063581 0.1453615), wk = 0.0037736 k( 110) = ( 0.3472222 0.1984212 0.1397707), wk = 0.0037736 k( 111) = ( 0.3333333 0.1904844 0.1341798), wk = 0.0037736 k( 112) = ( 0.3194444 0.1825475 0.1285890), wk = 0.0037736 k( 113) = ( 0.3055556 0.1746107 0.1229982), wk = 0.0037736 k( 114) = ( 0.2916667 0.1666738 0.1174074), wk = 0.0037736 k( 115) = ( 0.2777778 0.1587370 0.1118165), wk = 0.0037736 k( 116) = ( 0.2638889 0.1508001 0.1062257), wk = 0.0037736 k( 117) = ( 0.2500000 0.1428633 0.1006349), wk = 0.0037736 k( 118) = ( 0.2361111 0.1349264 0.0950441), wk = 0.0037736 k( 119) = ( 0.2222222 0.1269896 0.0894532), wk = 0.0037736 k( 120) = ( 0.2083333 0.1190527 0.0838624), wk = 0.0037736 k( 121) = ( 0.1944444 0.1111159 0.0782716), wk = 0.0037736 k( 122) = ( 0.1805556 0.1031790 0.0726807), wk = 0.0037736 k( 123) = ( 0.1666667 0.0952422 0.0670899), wk = 0.0037736 k( 124) = ( 0.1527778 0.0873053 0.0614991), wk = 0.0037736 k( 125) = ( 0.1388889 0.0793685 0.0559083), wk = 0.0037736 k( 126) = ( 0.1250000 0.0714316 0.0503174), wk = 0.0037736 k( 127) = ( 0.1111111 0.0634948 0.0447266), wk = 0.0037736 k( 128) = ( 0.0972222 0.0555579 0.0391358), wk = 0.0037736 k( 129) = ( 0.0833333 0.0476211 0.0335450), wk = 0.0037736 k( 130) = ( 0.0694444 0.0396842 0.0279541), wk = 0.0037736 k( 131) = ( 0.0555556 0.0317474 0.0223633), wk = 0.0037736 k( 132) = ( 0.0416667 0.0238105 0.0167725), wk = 0.0037736 k( 133) = ( 0.0277778 0.0158737 0.0111817), wk = 0.0037736 k( 134) = ( 0.0138889 0.0079368 0.0055908), wk = 0.0037736 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 137) = ( 0.0085011 -0.0050092 -0.0140076), wk = 0.0037736 k( 138) = ( 0.0170023 -0.0100183 -0.0280153), wk = 0.0037736 k( 139) = ( 0.0255034 -0.0150275 -0.0420229), wk = 0.0037736 k( 140) = ( 0.0340045 -0.0200367 -0.0560305), wk = 0.0037736 k( 141) = ( 0.0425056 -0.0250459 -0.0700381), wk = 0.0037736 k( 142) = ( 0.0510068 -0.0300550 -0.0840458), wk = 0.0037736 k( 143) = ( 0.0595079 -0.0350642 -0.0980534), wk = 0.0037736 k( 144) = ( 0.0680090 -0.0400734 -0.1120610), wk = 0.0037736 k( 145) = ( 0.0765102 -0.0450825 -0.1260687), wk = 0.0037736 k( 146) = ( 0.0850113 -0.0500917 -0.1400763), wk = 0.0037736 k( 147) = ( 0.0935124 -0.0551009 -0.1540839), wk = 0.0037736 k( 148) = ( 0.1020136 -0.0601100 -0.1680915), wk = 0.0037736 k( 149) = ( 0.1105147 -0.0651192 -0.1820992), wk = 0.0037736 k( 150) = ( 0.1190158 -0.0701284 -0.1961068), wk = 0.0037736 k( 151) = ( 0.1275169 -0.0751376 -0.2101144), wk = 0.0037736 k( 152) = ( 0.1360181 -0.0801467 -0.2241220), wk = 0.0037736 k( 153) = ( 0.1445192 -0.0851559 -0.2381297), wk = 0.0037736 k( 154) = ( 0.1530203 -0.0901651 -0.2521373), wk = 0.0037736 k( 155) = ( 0.1615215 -0.0951742 -0.2661449), wk = 0.0037736 k( 156) = ( 0.1700226 -0.1001834 -0.2801526), wk = 0.0037736 k( 157) = ( 0.1785237 -0.1051926 -0.2941602), wk = 0.0037736 k( 158) = ( 0.1870249 -0.1102018 -0.3081678), wk = 0.0037736 k( 159) = ( 0.1955260 -0.1152109 -0.3221755), wk = 0.0037736 k( 160) = ( 0.2040271 -0.1202201 -0.3361831), wk = 0.0037736 k( 161) = ( 0.2125283 -0.1252293 -0.3501907), wk = 0.0037736 k( 162) = ( 0.2210294 -0.1302384 -0.3641983), wk = 0.0037736 k( 163) = ( 0.2295305 -0.1352476 -0.3782060), wk = 0.0037736 k( 164) = ( 0.2380317 -0.1402568 -0.3922136), wk = 0.0037736 k( 165) = ( 0.2465328 -0.1452659 -0.4062212), wk = 0.0037736 k( 166) = ( 0.2550339 -0.1502751 -0.4202289), wk = 0.0037736 k( 167) = ( 0.2635350 -0.1552843 -0.4342365), wk = 0.0037736 k( 168) = ( 0.2720362 -0.1602935 -0.4482441), wk = 0.0037736 k( 169) = ( 0.2805373 -0.1653026 -0.4622517), wk = 0.0037736 k( 170) = ( 0.2890384 -0.1703118 -0.4762594), wk = 0.0037736 k( 171) = ( 0.2975396 -0.1753210 -0.4902670), wk = 0.0037736 k( 172) = ( 0.3060407 -0.1803301 -0.5042746), wk = 0.0037736 k( 173) = ( 0.3145418 -0.1853393 -0.5182823), wk = 0.0037736 k( 174) = ( 0.3230429 -0.1903485 -0.5322899), wk = 0.0037736 k( 175) = ( 0.3315441 -0.1953576 -0.5462975), wk = 0.0037736 k( 176) = ( 0.3400452 -0.2003668 -0.5603051), wk = 0.0037736 k( 177) = ( 0.3485463 -0.2053760 -0.5743128), wk = 0.0037736 k( 178) = ( 0.3570475 -0.2103852 -0.5883204), wk = 0.0037736 k( 179) = ( 0.3655486 -0.2153943 -0.6023280), wk = 0.0037736 k( 180) = ( 0.3740497 -0.2204035 -0.6163356), wk = 0.0037736 k( 181) = ( 0.6259503 0.0653231 -0.4150659), wk = 0.0037736 k( 182) = ( 0.6175536 0.0800166 -0.4150659), wk = 0.0037736 k( 183) = ( 0.6091569 0.0947102 -0.4150659), wk = 0.0037736 k( 184) = ( 0.6007602 0.1094038 -0.4150659), wk = 0.0037736 k( 185) = ( 0.5923635 0.1240973 -0.4150659), wk = 0.0037736 k( 186) = ( 0.5839669 0.1387909 -0.4150659), wk = 0.0037736 k( 187) = ( 0.5755702 0.1534845 -0.4150659), wk = 0.0037736 k( 188) = ( 0.5671735 0.1681780 -0.4150659), wk = 0.0037736 k( 189) = ( 0.5587768 0.1828716 -0.4150659), wk = 0.0037736 k( 190) = ( 0.5503801 0.1975652 -0.4150659), wk = 0.0037736 k( 191) = ( 0.5419834 0.2122587 -0.4150659), wk = 0.0037736 k( 192) = ( 0.5335867 0.2269523 -0.4150659), wk = 0.0037736 k( 193) = ( 0.5251900 0.2416459 -0.4150659), wk = 0.0037736 k( 194) = ( 0.5167934 0.2563394 -0.4150659), wk = 0.0037736 k( 195) = ( 0.5083967 0.2710330 -0.4150659), wk = 0.0037736 k( 196) = ( 0.5000000 0.2857266 -0.4150659), wk = 0.0037736 k( 197) = ( 0.5000000 0.2857266 -0.4150659), wk = 0.0037736 k( 198) = ( 0.5083967 0.2905249 -0.4016479), wk = 0.0037736 k( 199) = ( 0.5167934 0.2953232 -0.3882299), wk = 0.0037736 k( 200) = ( 0.5251900 0.3001215 -0.3748119), wk = 0.0037736 k( 201) = ( 0.5335867 0.3049198 -0.3613939), wk = 0.0037736 k( 202) = ( 0.5419834 0.3097181 -0.3479760), wk = 0.0037736 k( 203) = ( 0.5503801 0.3145164 -0.3345580), wk = 0.0037736 k( 204) = ( 0.5587768 0.3193148 -0.3211400), wk = 0.0037736 k( 205) = ( 0.5671735 0.3241131 -0.3077220), wk = 0.0037736 k( 206) = ( 0.5755702 0.3289114 -0.2943040), wk = 0.0037736 k( 207) = ( 0.5839669 0.3337097 -0.2808860), wk = 0.0037736 k( 208) = ( 0.5923635 0.3385080 -0.2674681), wk = 0.0037736 k( 209) = ( 0.6007602 0.3433063 -0.2540501), wk = 0.0037736 k( 210) = ( 0.6091569 0.3481046 -0.2406321), wk = 0.0037736 k( 211) = ( 0.6175536 0.3529029 -0.2272141), wk = 0.0037736 k( 212) = ( 0.6259503 0.3577012 -0.2137961), wk = 0.0037736 k( 213) = ( 0.6259503 0.3577012 -0.2137961), wk = 0.0037736 k( 214) = ( 0.6211060 0.3549330 -0.1978321), wk = 0.0037736 k( 215) = ( 0.6162618 0.3521647 -0.1818680), wk = 0.0037736 k( 216) = ( 0.6114175 0.3493965 -0.1659039), wk = 0.0037736 k( 217) = ( 0.6065733 0.3466282 -0.1499398), wk = 0.0037736 k( 218) = ( 0.6017291 0.3438600 -0.1339758), wk = 0.0037736 k( 219) = ( 0.5968848 0.3410917 -0.1180117), wk = 0.0037736 k( 220) = ( 0.5920406 0.3383234 -0.1020476), wk = 0.0037736 k( 221) = ( 0.5871963 0.3355552 -0.0860835), wk = 0.0037736 k( 222) = ( 0.5823521 0.3327869 -0.0701195), wk = 0.0037736 k( 223) = ( 0.5775079 0.3300187 -0.0541554), wk = 0.0037736 k( 224) = ( 0.5726636 0.3272504 -0.0381913), wk = 0.0037736 k( 225) = ( 0.5678194 0.3244822 -0.0222273), wk = 0.0037736 k( 226) = ( 0.5629751 0.3217139 -0.0062632), wk = 0.0037736 k( 227) = ( 0.5581309 0.3189457 0.0097009), wk = 0.0037736 k( 228) = ( 0.5532866 0.3161774 0.0256650), wk = 0.0037736 k( 229) = ( 0.5484424 0.3134091 0.0416290), wk = 0.0037736 k( 230) = ( 0.5435982 0.3106409 0.0575931), wk = 0.0037736 k( 231) = ( 0.5387539 0.3078726 0.0735572), wk = 0.0037736 k( 232) = ( 0.5339097 0.3051044 0.0895212), wk = 0.0037736 k( 233) = ( 0.5290655 0.3023361 0.1054853), wk = 0.0037736 k( 234) = ( 0.5242212 0.2995679 0.1214494), wk = 0.0037736 k( 235) = ( 0.5193770 0.2967996 0.1374135), wk = 0.0037736 k( 236) = ( 0.5145327 0.2940313 0.1533775), wk = 0.0037736 k( 237) = ( 0.5096885 0.2912631 0.1693416), wk = 0.0037736 k( 238) = ( 0.5048442 0.2884948 0.1853057), wk = 0.0037736 k( 239) = ( 0.5000000 0.2857266 0.2012698), wk = 0.0037736 k( 240) = ( 0.5000000 -0.2946179 -0.2075329), wk = 0.0037736 k( 241) = ( 0.5100760 -0.2831888 -0.1994822), wk = 0.0037736 k( 242) = ( 0.5201520 -0.2717598 -0.1914314), wk = 0.0037736 k( 243) = ( 0.5302281 -0.2603307 -0.1833806), wk = 0.0037736 k( 244) = ( 0.5403041 -0.2489017 -0.1753298), wk = 0.0037736 k( 245) = ( 0.5503801 -0.2374726 -0.1672790), wk = 0.0037736 k( 246) = ( 0.5604561 -0.2260435 -0.1592282), wk = 0.0037736 k( 247) = ( 0.5705322 -0.2146145 -0.1511774), wk = 0.0037736 k( 248) = ( 0.5806082 -0.2031854 -0.1431266), wk = 0.0037736 k( 249) = ( 0.5906842 -0.1917563 -0.1350758), wk = 0.0037736 k( 250) = ( 0.6007602 -0.1803273 -0.1270250), wk = 0.0037736 k( 251) = ( 0.6108362 -0.1688982 -0.1189742), wk = 0.0037736 k( 252) = ( 0.6209123 -0.1574692 -0.1109235), wk = 0.0037736 k( 253) = ( 0.6309883 -0.1460401 -0.1028727), wk = 0.0037736 k( 254) = ( 0.6410643 -0.1346110 -0.0948219), wk = 0.0037736 k( 255) = ( 0.6511403 -0.1231820 -0.0867711), wk = 0.0037736 k( 256) = ( 0.6612164 -0.1117529 -0.0787203), wk = 0.0037736 k( 257) = ( 0.6712924 -0.1003238 -0.0706695), wk = 0.0037736 k( 258) = ( 0.6813684 -0.0888948 -0.0626187), wk = 0.0037736 k( 259) = ( 0.6914444 -0.0774657 -0.0545679), wk = 0.0037736 k( 260) = ( 0.7015204 -0.0660367 -0.0465171), wk = 0.0037736 k( 261) = ( 0.7115965 -0.0546076 -0.0384663), wk = 0.0037736 k( 262) = ( 0.7216725 -0.0431785 -0.0304156), wk = 0.0037736 k( 263) = ( 0.7317485 -0.0317495 -0.0223648), wk = 0.0037736 k( 264) = ( 0.7418245 -0.0203204 -0.0143140), wk = 0.0037736 k( 265) = ( 0.7519005 -0.0088913 -0.0062632), wk = 0.0037736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0138889 0.0000000 -0.0000000), wk = 0.0037736 k( 3) = ( 0.0277778 0.0000000 -0.0000000), wk = 0.0037736 k( 4) = ( 0.0416667 0.0000000 -0.0000000), wk = 0.0037736 k( 5) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0037736 k( 6) = ( 0.0694444 0.0000000 0.0000000), wk = 0.0037736 k( 7) = ( 0.0833333 0.0000000 -0.0000000), wk = 0.0037736 k( 8) = ( 0.0972222 0.0000000 0.0000000), wk = 0.0037736 k( 9) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0037736 k( 10) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0037736 k( 11) = ( 0.1388889 0.0000000 -0.0000000), wk = 0.0037736 k( 12) = ( 0.1527778 0.0000000 0.0000000), wk = 0.0037736 k( 13) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0037736 k( 14) = ( 0.1805556 0.0000000 -0.0000000), wk = 0.0037736 k( 15) = ( 0.1944444 0.0000000 0.0000000), wk = 0.0037736 k( 16) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0037736 k( 17) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0037736 k( 18) = ( 0.2361111 0.0000000 0.0000000), wk = 0.0037736 k( 19) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0037736 k( 20) = ( 0.2638889 0.0000000 0.0000000), wk = 0.0037736 k( 21) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0037736 k( 22) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0037736 k( 23) = ( 0.3055556 0.0000000 0.0000000), wk = 0.0037736 k( 24) = ( 0.3194444 -0.0000000 -0.0000000), wk = 0.0037736 k( 25) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0037736 k( 26) = ( 0.3472222 0.0000000 0.0000000), wk = 0.0037736 k( 27) = ( 0.3611111 0.0000000 -0.0000000), wk = 0.0037736 k( 28) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0037736 k( 29) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0037736 k( 30) = ( 0.4027778 0.0000000 0.0000000), wk = 0.0037736 k( 31) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0037736 k( 32) = ( 0.4305556 0.0000000 0.0000000), wk = 0.0037736 k( 33) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0037736 k( 34) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0037736 k( 35) = ( 0.4722222 0.0000000 0.0000000), wk = 0.0037736 k( 36) = ( 0.4861111 -0.0000000 0.0000000), wk = 0.0037736 k( 37) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037736 k( 38) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037736 k( 39) = ( 0.5000000 0.0085552 -0.0085552), wk = 0.0037736 k( 40) = ( 0.5000000 0.0171103 -0.0171103), wk = 0.0037736 k( 41) = ( 0.5000000 0.0256655 -0.0256655), wk = 0.0037736 k( 42) = ( 0.5000000 0.0342206 -0.0342206), wk = 0.0037736 k( 43) = ( 0.5000000 0.0427758 -0.0427758), wk = 0.0037736 k( 44) = ( 0.5000000 0.0513309 -0.0513309), wk = 0.0037736 k( 45) = ( 0.5000000 0.0598861 -0.0598861), wk = 0.0037736 k( 46) = ( 0.5000000 0.0684412 -0.0684412), wk = 0.0037736 k( 47) = ( 0.5000000 0.0769964 -0.0769964), wk = 0.0037736 k( 48) = ( 0.5000000 0.0855515 -0.0855515), wk = 0.0037736 k( 49) = ( 0.5000000 0.0941067 -0.0941067), wk = 0.0037736 k( 50) = ( 0.5000000 0.1026618 -0.1026619), wk = 0.0037736 k( 51) = ( 0.5000000 0.1112170 -0.1112170), wk = 0.0037736 k( 52) = ( 0.5000000 0.1197721 -0.1197721), wk = 0.0037736 k( 53) = ( 0.5000000 0.1283273 -0.1283273), wk = 0.0037736 k( 54) = ( 0.5000000 0.1368825 -0.1368825), wk = 0.0037736 k( 55) = ( 0.5000000 0.1454376 -0.1454376), wk = 0.0037736 k( 56) = ( 0.5000000 0.1539928 -0.1539928), wk = 0.0037736 k( 57) = ( 0.5000000 0.1625479 -0.1625479), wk = 0.0037736 k( 58) = ( 0.5000000 0.1711031 -0.1711031), wk = 0.0037736 k( 59) = ( 0.5000000 0.1796582 -0.1796582), wk = 0.0037736 k( 60) = ( 0.5000000 0.1882134 -0.1882134), wk = 0.0037736 k( 61) = ( 0.5000000 0.1967685 -0.1967685), wk = 0.0037736 k( 62) = ( 0.5000000 0.2053237 -0.2053237), wk = 0.0037736 k( 63) = ( 0.5000000 0.2138789 -0.2138789), wk = 0.0037736 k( 64) = ( 0.5000000 0.2224340 -0.2224340), wk = 0.0037736 k( 65) = ( 0.5000000 0.2309892 -0.2309892), wk = 0.0037736 k( 66) = ( 0.5000000 0.2395443 -0.2395443), wk = 0.0037736 k( 67) = ( 0.5000000 0.2480995 -0.2480995), wk = 0.0037736 k( 68) = ( 0.7519005 0.5000000 0.2480995), wk = 0.0037736 k( 69) = ( 0.7435038 0.5000000 0.2564962), wk = 0.0037736 k( 70) = ( 0.7351072 0.5000000 0.2648928), wk = 0.0037736 k( 71) = ( 0.7267105 0.5000000 0.2732895), wk = 0.0037736 k( 72) = ( 0.7183138 0.5000000 0.2816862), wk = 0.0037736 k( 73) = ( 0.7099171 0.5000000 0.2900829), wk = 0.0037736 k( 74) = ( 0.7015204 0.5000000 0.2984796), wk = 0.0037736 k( 75) = ( 0.6931238 0.5000000 0.3068763), wk = 0.0037736 k( 76) = ( 0.6847271 0.5000000 0.3152729), wk = 0.0037736 k( 77) = ( 0.6763304 0.5000000 0.3236696), wk = 0.0037736 k( 78) = ( 0.6679337 0.5000000 0.3320663), wk = 0.0037736 k( 79) = ( 0.6595370 0.5000000 0.3404630), wk = 0.0037736 k( 80) = ( 0.6511403 0.5000000 0.3488597), wk = 0.0037736 k( 81) = ( 0.6427436 0.5000000 0.3572564), wk = 0.0037736 k( 82) = ( 0.6343469 0.5000000 0.3656530), wk = 0.0037736 k( 83) = ( 0.6259503 0.5000000 0.3740497), wk = 0.0037736 k( 84) = ( 0.6175536 0.5000000 0.3824464), wk = 0.0037736 k( 85) = ( 0.6091569 0.5000000 0.3908431), wk = 0.0037736 k( 86) = ( 0.6007602 0.5000000 0.3992398), wk = 0.0037736 k( 87) = ( 0.5923635 0.5000000 0.4076365), wk = 0.0037736 k( 88) = ( 0.5839669 0.5000000 0.4160332), wk = 0.0037736 k( 89) = ( 0.5755702 0.5000000 0.4244298), wk = 0.0037736 k( 90) = ( 0.5671735 0.5000000 0.4328265), wk = 0.0037736 k( 91) = ( 0.5587768 0.5000000 0.4412232), wk = 0.0037736 k( 92) = ( 0.5503801 0.5000000 0.4496199), wk = 0.0037736 k( 93) = ( 0.5419834 0.5000000 0.4580166), wk = 0.0037736 k( 94) = ( 0.5335867 0.5000000 0.4664133), wk = 0.0037736 k( 95) = ( 0.5251900 0.5000000 0.4748099), wk = 0.0037736 k( 96) = ( 0.5167934 0.5000000 0.4832066), wk = 0.0037736 k( 97) = ( 0.5083967 0.5000000 0.4916033), wk = 0.0037736 k( 98) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 99) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 100) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0037736 k( 101) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0037736 k( 102) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0037736 k( 103) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0037736 k( 104) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0037736 k( 105) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0037736 k( 106) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0037736 k( 107) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0037736 k( 108) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0037736 k( 109) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0037736 k( 110) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0037736 k( 111) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0037736 k( 112) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0037736 k( 113) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0037736 k( 114) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0037736 k( 115) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0037736 k( 116) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0037736 k( 117) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037736 k( 118) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0037736 k( 119) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0037736 k( 120) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0037736 k( 121) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0037736 k( 122) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0037736 k( 123) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0037736 k( 124) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0037736 k( 125) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0037736 k( 126) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0037736 k( 127) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0037736 k( 128) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0037736 k( 129) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0037736 k( 130) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0037736 k( 131) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0037736 k( 132) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0037736 k( 133) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0037736 k( 134) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0037736 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 137) = ( 0.0085011 0.0000000 -0.0085011), wk = 0.0037736 k( 138) = ( 0.0170023 0.0000000 -0.0170023), wk = 0.0037736 k( 139) = ( 0.0255034 0.0000000 -0.0255034), wk = 0.0037736 k( 140) = ( 0.0340045 0.0000000 -0.0340045), wk = 0.0037736 k( 141) = ( 0.0425056 0.0000000 -0.0425057), wk = 0.0037736 k( 142) = ( 0.0510068 0.0000000 -0.0510068), wk = 0.0037736 k( 143) = ( 0.0595079 0.0000000 -0.0595079), wk = 0.0037736 k( 144) = ( 0.0680090 0.0000000 -0.0680090), wk = 0.0037736 k( 145) = ( 0.0765102 0.0000000 -0.0765102), wk = 0.0037736 k( 146) = ( 0.0850113 0.0000000 -0.0850113), wk = 0.0037736 k( 147) = ( 0.0935124 0.0000000 -0.0935124), wk = 0.0037736 k( 148) = ( 0.1020136 0.0000000 -0.1020136), wk = 0.0037736 k( 149) = ( 0.1105147 0.0000000 -0.1105147), wk = 0.0037736 k( 150) = ( 0.1190158 0.0000000 -0.1190158), wk = 0.0037736 k( 151) = ( 0.1275169 0.0000000 -0.1275170), wk = 0.0037736 k( 152) = ( 0.1360181 0.0000000 -0.1360181), wk = 0.0037736 k( 153) = ( 0.1445192 0.0000000 -0.1445192), wk = 0.0037736 k( 154) = ( 0.1530203 0.0000000 -0.1530203), wk = 0.0037736 k( 155) = ( 0.1615215 -0.0000000 -0.1615215), wk = 0.0037736 k( 156) = ( 0.1700226 0.0000000 -0.1700226), wk = 0.0037736 k( 157) = ( 0.1785237 -0.0000000 -0.1785237), wk = 0.0037736 k( 158) = ( 0.1870249 0.0000000 -0.1870249), wk = 0.0037736 k( 159) = ( 0.1955260 -0.0000000 -0.1955260), wk = 0.0037736 k( 160) = ( 0.2040271 0.0000000 -0.2040271), wk = 0.0037736 k( 161) = ( 0.2125283 0.0000000 -0.2125283), wk = 0.0037736 k( 162) = ( 0.2210294 0.0000000 -0.2210294), wk = 0.0037736 k( 163) = ( 0.2295305 0.0000000 -0.2295305), wk = 0.0037736 k( 164) = ( 0.2380317 0.0000000 -0.2380317), wk = 0.0037736 k( 165) = ( 0.2465328 0.0000000 -0.2465328), wk = 0.0037736 k( 166) = ( 0.2550339 0.0000000 -0.2550339), wk = 0.0037736 k( 167) = ( 0.2635350 -0.0000000 -0.2635350), wk = 0.0037736 k( 168) = ( 0.2720362 0.0000000 -0.2720362), wk = 0.0037736 k( 169) = ( 0.2805373 0.0000000 -0.2805373), wk = 0.0037736 k( 170) = ( 0.2890384 0.0000000 -0.2890384), wk = 0.0037736 k( 171) = ( 0.2975396 -0.0000000 -0.2975396), wk = 0.0037736 k( 172) = ( 0.3060407 0.0000000 -0.3060407), wk = 0.0037736 k( 173) = ( 0.3145418 0.0000000 -0.3145418), wk = 0.0037736 k( 174) = ( 0.3230429 0.0000000 -0.3230430), wk = 0.0037736 k( 175) = ( 0.3315441 0.0000000 -0.3315441), wk = 0.0037736 k( 176) = ( 0.3400452 0.0000000 -0.3400452), wk = 0.0037736 k( 177) = ( 0.3485463 0.0000000 -0.3485463), wk = 0.0037736 k( 178) = ( 0.3570475 0.0000000 -0.3570475), wk = 0.0037736 k( 179) = ( 0.3655486 0.0000000 -0.3655486), wk = 0.0037736 k( 180) = ( 0.3740497 0.0000000 -0.3740497), wk = 0.0037736 k( 181) = ( 0.6259503 0.3740497 -0.0000000), wk = 0.0037736 k( 182) = ( 0.6175536 0.3824464 0.0000000), wk = 0.0037736 k( 183) = ( 0.6091569 0.3908431 -0.0000000), wk = 0.0037736 k( 184) = ( 0.6007602 0.3992398 -0.0000000), wk = 0.0037736 k( 185) = ( 0.5923635 0.4076365 0.0000000), wk = 0.0037736 k( 186) = ( 0.5839669 0.4160332 0.0000000), wk = 0.0037736 k( 187) = ( 0.5755702 0.4244298 0.0000000), wk = 0.0037736 k( 188) = ( 0.5671735 0.4328265 0.0000000), wk = 0.0037736 k( 189) = ( 0.5587768 0.4412232 -0.0000000), wk = 0.0037736 k( 190) = ( 0.5503801 0.4496199 0.0000000), wk = 0.0037736 k( 191) = ( 0.5419834 0.4580166 0.0000000), wk = 0.0037736 k( 192) = ( 0.5335867 0.4664133 0.0000000), wk = 0.0037736 k( 193) = ( 0.5251900 0.4748100 0.0000000), wk = 0.0037736 k( 194) = ( 0.5167934 0.4832066 0.0000000), wk = 0.0037736 k( 195) = ( 0.5083967 0.4916033 -0.0000000), wk = 0.0037736 k( 196) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037736 k( 197) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037736 k( 198) = ( 0.5083967 0.5083967 0.0165400), wk = 0.0037736 k( 199) = ( 0.5167934 0.5167934 0.0330799), wk = 0.0037736 k( 200) = ( 0.5251900 0.5251900 0.0496199), wk = 0.0037736 k( 201) = ( 0.5335867 0.5335867 0.0661599), wk = 0.0037736 k( 202) = ( 0.5419834 0.5419834 0.0826998), wk = 0.0037736 k( 203) = ( 0.5503801 0.5503801 0.0992398), wk = 0.0037736 k( 204) = ( 0.5587768 0.5587768 0.1157797), wk = 0.0037736 k( 205) = ( 0.5671735 0.5671735 0.1323197), wk = 0.0037736 k( 206) = ( 0.5755702 0.5755702 0.1488597), wk = 0.0037736 k( 207) = ( 0.5839669 0.5839668 0.1653996), wk = 0.0037736 k( 208) = ( 0.5923635 0.5923635 0.1819396), wk = 0.0037736 k( 209) = ( 0.6007602 0.6007602 0.1984796), wk = 0.0037736 k( 210) = ( 0.6091569 0.6091569 0.2150195), wk = 0.0037736 k( 211) = ( 0.6175536 0.6175536 0.2315595), wk = 0.0037736 k( 212) = ( 0.6259503 0.6259503 0.2480995), wk = 0.0037736 k( 213) = ( 0.6259503 0.6259503 0.2480995), wk = 0.0037736 k( 214) = ( 0.6211060 0.6211060 0.2577879), wk = 0.0037736 k( 215) = ( 0.6162618 0.6162618 0.2674764), wk = 0.0037736 k( 216) = ( 0.6114175 0.6114176 0.2771649), wk = 0.0037736 k( 217) = ( 0.6065733 0.6065733 0.2868534), wk = 0.0037736 k( 218) = ( 0.6017291 0.6017291 0.2965419), wk = 0.0037736 k( 219) = ( 0.5968848 0.5968848 0.3062303), wk = 0.0037736 k( 220) = ( 0.5920406 0.5920406 0.3159188), wk = 0.0037736 k( 221) = ( 0.5871963 0.5871963 0.3256073), wk = 0.0037736 k( 222) = ( 0.5823521 0.5823521 0.3352958), wk = 0.0037736 k( 223) = ( 0.5775079 0.5775079 0.3449843), wk = 0.0037736 k( 224) = ( 0.5726636 0.5726636 0.3546728), wk = 0.0037736 k( 225) = ( 0.5678194 0.5678194 0.3643613), wk = 0.0037736 k( 226) = ( 0.5629751 0.5629751 0.3740497), wk = 0.0037736 k( 227) = ( 0.5581309 0.5581309 0.3837382), wk = 0.0037736 k( 228) = ( 0.5532866 0.5532866 0.3934267), wk = 0.0037736 k( 229) = ( 0.5484424 0.5484424 0.4031152), wk = 0.0037736 k( 230) = ( 0.5435982 0.5435982 0.4128037), wk = 0.0037736 k( 231) = ( 0.5387539 0.5387539 0.4224921), wk = 0.0037736 k( 232) = ( 0.5339097 0.5339097 0.4321806), wk = 0.0037736 k( 233) = ( 0.5290655 0.5290655 0.4418691), wk = 0.0037736 k( 234) = ( 0.5242212 0.5242212 0.4515576), wk = 0.0037736 k( 235) = ( 0.5193770 0.5193770 0.4612461), wk = 0.0037736 k( 236) = ( 0.5145327 0.5145327 0.4709346), wk = 0.0037736 k( 237) = ( 0.5096885 0.5096885 0.4806230), wk = 0.0037736 k( 238) = ( 0.5048442 0.5048442 0.4903115), wk = 0.0037736 k( 239) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 240) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037736 k( 241) = ( 0.5100760 0.0149620 0.0149620), wk = 0.0037736 k( 242) = ( 0.5201520 0.0299240 0.0299240), wk = 0.0037736 k( 243) = ( 0.5302281 0.0448860 0.0448860), wk = 0.0037736 k( 244) = ( 0.5403041 0.0598480 0.0598480), wk = 0.0037736 k( 245) = ( 0.5503801 0.0748100 0.0748100), wk = 0.0037736 k( 246) = ( 0.5604561 0.0897719 0.0897719), wk = 0.0037736 k( 247) = ( 0.5705322 0.1047339 0.1047339), wk = 0.0037736 k( 248) = ( 0.5806082 0.1196959 0.1196959), wk = 0.0037736 k( 249) = ( 0.5906842 0.1346579 0.1346579), wk = 0.0037736 k( 250) = ( 0.6007602 0.1496199 0.1496199), wk = 0.0037736 k( 251) = ( 0.6108362 0.1645819 0.1645819), wk = 0.0037736 k( 252) = ( 0.6209123 0.1795439 0.1795439), wk = 0.0037736 k( 253) = ( 0.6309883 0.1945059 0.1945059), wk = 0.0037736 k( 254) = ( 0.6410643 0.2094679 0.2094679), wk = 0.0037736 k( 255) = ( 0.6511403 0.2244298 0.2244298), wk = 0.0037736 k( 256) = ( 0.6612164 0.2393918 0.2393918), wk = 0.0037736 k( 257) = ( 0.6712924 0.2543538 0.2543538), wk = 0.0037736 k( 258) = ( 0.6813684 0.2693158 0.2693158), wk = 0.0037736 k( 259) = ( 0.6914444 0.2842778 0.2842778), wk = 0.0037736 k( 260) = ( 0.7015204 0.2992398 0.2992398), wk = 0.0037736 k( 261) = ( 0.7115965 0.3142018 0.3142018), wk = 0.0037736 k( 262) = ( 0.7216725 0.3291638 0.3291638), wk = 0.0037736 k( 263) = ( 0.7317485 0.3441258 0.3441258), wk = 0.0037736 k( 264) = ( 0.7418245 0.3590877 0.3590877), wk = 0.0037736 k( 265) = ( 0.7519005 0.3740497 0.3740497), wk = 0.0037736 Dense grid: 74875 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 33037 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 178, 62) NL pseudopotentials 0.25 Mb ( 89, 184) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1561) G-vector shells 0.01 Mb ( 1317) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 178, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.35 Mb ( 184, 2, 62) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./AlBiO3.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.9 secs Computing kpt #: 2 total cpu time spent up to now is 50.6 secs Computing kpt #: 3 total cpu time spent up to now is 54.0 secs Computing kpt #: 4 total cpu time spent up to now is 57.6 secs Computing kpt #: 5 total cpu time spent up to now is 61.0 secs Computing kpt #: 6 total cpu time spent up to now is 64.4 secs Computing kpt #: 7 total cpu time spent up to now is 67.9 secs Computing kpt #: 8 total cpu time spent up to now is 71.2 secs Computing kpt #: 9 total cpu time spent up to now is 74.6 secs Computing kpt #: 10 total cpu time spent up to now is 79.5 secs Computing kpt #: 11 total cpu time spent up to now is 83.2 secs Computing kpt #: 12 total cpu time spent up to now is 86.3 secs Computing kpt #: 13 total cpu time spent up to now is 89.5 secs Computing kpt #: 14 total cpu time spent up to now is 92.7 secs Computing kpt #: 15 total cpu time spent up to now is 95.9 secs Computing kpt #: 16 total cpu time spent up to now is 99.3 secs Computing kpt #: 17 total cpu time spent up to now is 102.6 secs Computing kpt #: 18 total cpu time spent up to now is 105.9 secs Computing kpt #: 19 total cpu time spent up to now is 109.3 secs Computing kpt #: 20 total cpu time spent up to now is 112.8 secs Computing kpt #: 21 total cpu time spent up to now is 116.7 secs Computing kpt #: 22 total cpu time spent up to now is 120.1 secs Computing kpt #: 23 total cpu time spent up to now is 125.1 secs Computing kpt #: 24 total cpu time spent up to now is 129.1 secs Computing kpt #: 25 total cpu time spent up to now is 132.7 secs Computing kpt #: 26 total cpu time spent up to now is 136.3 secs Computing kpt #: 27 total cpu time spent up to now is 139.6 secs Computing kpt #: 28 total cpu time spent up to now is 143.0 secs Computing kpt #: 29 total cpu time spent up to now is 148.3 secs Computing kpt #: 30 total cpu time spent up to now is 151.8 secs Computing kpt #: 31 total cpu time spent up to now is 155.1 secs Computing kpt #: 32 total cpu time spent up to now is 158.5 secs Computing kpt #: 33 total cpu time spent up to now is 161.8 secs Computing kpt #: 34 total cpu time spent up to now is 165.3 secs Computing kpt #: 35 total cpu time spent up to now is 169.0 secs Computing kpt #: 36 total cpu time spent up to now is 174.2 secs Computing kpt #: 37 total cpu time spent up to now is 177.7 secs Computing kpt #: 38 total cpu time spent up to now is 181.2 secs Computing kpt #: 39 total cpu time spent up to now is 184.4 secs Computing kpt #: 40 total cpu time spent up to now is 187.6 secs Computing kpt #: 41 total cpu time spent up to now is 190.8 secs Computing kpt #: 42 total cpu time spent up to now is 193.8 secs Computing kpt #: 43 total cpu time spent up to now is 196.8 secs Computing kpt #: 44 total cpu time spent up to now is 199.9 secs Computing kpt #: 45 total cpu time spent up to now is 203.0 secs Computing kpt #: 46 total cpu time spent up to now is 206.2 secs Computing kpt #: 47 total cpu time spent up to now is 209.7 secs Computing kpt #: 48 total cpu time spent up to now is 212.8 secs Computing kpt #: 49 total cpu time spent up to now is 216.5 secs Computing kpt #: 50 total cpu time spent up to now is 219.5 secs Computing kpt #: 51 total cpu time spent up to now is 222.5 secs Computing kpt #: 52 total cpu time spent up to now is 225.5 secs Computing kpt #: 53 total cpu time spent up to now is 228.6 secs Computing kpt #: 54 total cpu time spent up to now is 231.9 secs Computing kpt #: 55 total cpu time spent up to now is 234.9 secs Computing kpt #: 56 total cpu time spent up to now is 238.0 secs Computing kpt #: 57 total cpu time spent up to now is 240.9 secs Computing kpt #: 58 total cpu time spent up to now is 244.7 secs Computing kpt 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spent up to now is 296.3 secs Computing kpt #: 75 total cpu time spent up to now is 299.4 secs Computing kpt #: 76 total cpu time spent up to now is 302.5 secs Computing kpt #: 77 total cpu time spent up to now is 305.4 secs Computing kpt #: 78 total cpu time spent up to now is 308.4 secs Computing kpt #: 79 total cpu time spent up to now is 313.8 secs Computing kpt #: 80 total cpu time spent up to now is 316.8 secs Computing kpt #: 81 total cpu time spent up to now is 319.7 secs Computing kpt #: 82 total cpu time spent up to now is 323.2 secs Computing kpt #: 83 total cpu time spent up to now is 326.4 secs Computing kpt #: 84 total cpu time spent up to now is 329.4 secs Computing kpt #: 85 total cpu time spent up to now is 332.6 secs Computing kpt #: 86 total cpu time spent up to now is 335.8 secs Computing kpt #: 87 total cpu time spent up to now is 338.8 secs Computing kpt #: 88 total cpu time spent up to now is 342.2 secs Computing kpt #: 89 total cpu time spent up to now is 345.9 secs Computing kpt #: 90 total cpu time spent up to now is 349.2 secs Computing kpt #: 91 total cpu time spent up to now is 352.4 secs Computing kpt #: 92 total cpu time spent up to now is 356.2 secs Computing kpt #: 93 total cpu time spent up to now is 359.9 secs Computing kpt #: 94 total cpu time spent up to now is 363.8 secs Computing kpt #: 95 total cpu time spent up to now is 367.2 secs Computing kpt #: 96 total cpu time spent up to now is 370.5 secs Computing kpt #: 97 total cpu time spent up to now is 374.3 secs Computing kpt #: 98 total cpu time spent up to now is 378.7 secs Computing kpt #: 99 total cpu time spent up to now is 382.1 secs Computing kpt #: 100 total cpu time spent up to now is 385.5 secs Computing kpt #: 101 total cpu time spent up to now is 390.2 secs Computing kpt #: 102 total cpu time spent up to now is 393.4 secs Computing kpt #: 103 total cpu time spent up to now is 396.9 secs Computing kpt #: 104 total cpu time spent up to now is 401.5 secs Computing kpt #: 105 total cpu time spent up to now is 405.1 secs Computing kpt #: 106 total cpu time spent up to now is 408.1 secs Computing kpt #: 107 total cpu time spent up to now is 411.2 secs Computing kpt #: 108 total cpu time spent up to now is 414.5 secs Computing kpt #: 109 total cpu time spent up to now is 417.5 secs Computing kpt #: 110 total cpu time spent up to now is 420.4 secs Computing kpt #: 111 total cpu time spent up to now is 423.9 secs Computing kpt #: 112 total cpu time spent up to now is 427.1 secs Computing kpt #: 113 total cpu time spent up to now is 430.1 secs Computing kpt #: 114 total cpu time spent up to now is 433.0 secs Computing kpt #: 115 total cpu time spent up to now is 436.3 secs Computing kpt #: 116 total cpu time spent up to now is 439.3 secs Computing kpt #: 117 total cpu time spent up to now is 442.5 secs Computing kpt #: 118 total cpu time spent up to now is 445.5 secs Computing kpt #: 119 total cpu time spent up to now is 448.6 secs Computing kpt #: 120 total cpu time spent up to now is 451.7 secs Computing kpt #: 121 total cpu time spent up to now is 455.2 secs Computing kpt #: 122 total cpu time spent up to now is 459.7 secs Computing kpt #: 123 total cpu time spent up to now is 463.2 secs Computing kpt #: 124 total cpu time spent up to now is 466.3 secs Computing kpt #: 125 total cpu time spent up to now is 471.4 secs Computing kpt #: 126 total cpu time spent up to now is 475.7 secs Computing kpt #: 127 total cpu time spent up to now is 478.9 secs Computing kpt #: 128 total cpu time spent up to now is 482.1 secs Computing kpt #: 129 total cpu time spent up to now is 485.2 secs Computing kpt #: 130 total cpu time spent up to now is 488.3 secs Computing kpt #: 131 total cpu time spent up to now is 491.5 secs Computing kpt #: 132 total cpu time spent up to now is 494.8 secs Computing kpt #: 133 total cpu time spent up to now is 498.1 secs Computing kpt #: 134 total cpu time spent up to now is 501.7 secs Computing kpt #: 135 total cpu time spent up to now is 505.0 secs Computing kpt #: 136 total cpu time spent up to now is 508.3 secs Computing kpt #: 137 total cpu time spent up to now is 513.8 secs Computing kpt #: 138 total cpu time spent up to now is 517.8 secs Computing kpt #: 139 total cpu time spent up to now is 521.3 secs Computing kpt #: 140 total cpu time spent up to now is 525.0 secs Computing kpt #: 141 total cpu time spent up to now is 528.6 secs Computing kpt #: 142 total cpu time spent up to now is 532.1 secs Computing kpt #: 143 total cpu time spent up to now is 535.7 secs Computing kpt #: 144 total cpu time spent up to now is 539.2 secs Computing kpt #: 145 total cpu time spent up to now is 542.7 secs Computing kpt #: 146 total cpu time spent up to now is 545.8 secs Computing kpt #: 147 total cpu time spent up to now is 549.2 secs Computing kpt #: 148 total cpu time spent up to now is 552.5 secs Computing kpt #: 149 total cpu time spent up to now is 555.6 secs Computing kpt #: 150 total cpu time spent up to now is 559.2 secs Computing kpt #: 151 total cpu time spent up to now is 562.5 secs Computing kpt #: 152 total cpu time spent up to now is 567.3 secs Computing kpt #: 153 total cpu time spent up to now is 571.0 secs Computing kpt #: 154 total cpu time spent up to now is 574.8 secs Computing kpt #: 155 total cpu time spent up to now is 579.4 secs Computing kpt #: 156 total cpu time spent up to now is 582.9 secs Computing kpt #: 157 total cpu time spent up to now is 586.4 secs Computing kpt #: 158 total cpu time spent up to now is 590.1 secs Computing kpt #: 159 total cpu time spent up to now is 593.5 secs Computing kpt #: 160 total cpu time spent up to now is 596.7 secs Computing kpt #: 161 total cpu time spent up to now is 600.3 secs Computing kpt #: 162 total cpu time spent up to now is 603.5 secs Computing kpt #: 163 total cpu time spent up to now is 607.0 secs Computing kpt #: 164 total cpu time spent up to now is 610.2 secs Computing kpt #: 165 total cpu time spent up to now is 613.3 secs Computing kpt #: 166 total cpu time spent up to now is 616.8 secs Computing kpt #: 167 total cpu time spent up to now is 620.1 secs Computing kpt #: 168 total cpu time spent up to now is 623.3 secs Computing kpt #: 169 total cpu time spent up to now is 626.6 secs Computing kpt #: 170 total cpu time spent up to now is 629.8 secs Computing kpt #: 171 total cpu time spent up to now is 633.0 secs Computing kpt #: 172 total cpu time spent up to now is 636.0 secs Computing kpt #: 173 total cpu time spent up to now is 639.7 secs Computing kpt #: 174 total cpu time spent up to now is 642.6 secs Computing kpt #: 175 total cpu time spent up to now is 645.6 secs Computing kpt #: 176 total cpu time spent up to now is 648.5 secs Computing kpt #: 177 total cpu time spent up to now is 651.4 secs Computing kpt #: 178 total cpu time spent up to now is 654.3 secs Computing kpt #: 179 total cpu time spent up to now is 657.1 secs Computing kpt #: 180 total cpu time spent up to now is 660.0 secs Computing kpt #: 181 total cpu time spent up to now is 662.9 secs Computing kpt #: 182 total cpu time spent up to now is 665.7 secs Computing kpt #: 183 total cpu time spent up to now is 668.6 secs Computing kpt #: 184 total cpu time spent up to now is 671.5 secs Computing kpt #: 185 total cpu time spent up to now is 674.3 secs Computing kpt #: 186 total cpu time spent up to now is 677.4 secs Computing kpt #: 187 total cpu time spent up to now is 680.2 secs Computing kpt #: 188 total cpu time spent up to now is 683.2 secs Computing kpt #: 189 total cpu time spent up to now is 686.0 secs Computing kpt #: 190 total cpu time spent up to now is 689.5 secs Computing kpt #: 191 total cpu time spent up to now is 693.2 secs Computing kpt #: 192 total cpu time spent up to now is 695.8 secs Computing kpt #: 193 total cpu time spent up to now is 699.1 secs Computing kpt #: 194 total cpu time spent up to now is 701.8 secs Computing kpt #: 195 total cpu time spent up to now is 704.6 secs Computing kpt #: 196 total cpu time spent up to now is 707.3 secs Computing kpt #: 197 total cpu time spent up to now is 710.1 secs Computing kpt #: 198 total cpu time spent up to now is 714.4 secs Computing kpt #: 199 total cpu time spent up to now is 717.7 secs Computing kpt #: 200 total cpu time spent up to now is 720.4 secs Computing kpt #: 201 total cpu time spent up to now is 723.0 secs Computing kpt #: 202 total cpu time spent up to now is 725.9 secs Computing kpt #: 203 total cpu time spent up to now is 728.8 secs Computing kpt #: 204 total cpu time spent up to now is 732.4 secs Computing kpt #: 205 total cpu time spent up to now is 739.2 secs Computing kpt #: 206 total cpu time spent up to now is 741.9 secs Computing kpt #: 207 total cpu time spent up to now is 745.0 secs Computing kpt #: 208 total cpu time spent up to now is 747.8 secs Computing kpt #: 209 total cpu time spent up to now is 750.6 secs Computing kpt #: 210 total cpu time spent up to now is 753.7 secs Computing kpt #: 211 total cpu time spent up to now is 756.5 secs Computing kpt #: 212 total cpu time spent up to now is 759.7 secs Computing kpt #: 213 total cpu time spent up to now is 762.7 secs Computing kpt #: 214 total cpu time spent up to now is 765.9 secs Computing kpt #: 215 total cpu time spent up to now is 769.0 secs Computing kpt #: 216 total cpu time spent up to now is 773.0 secs Computing kpt #: 217 total cpu time spent up to now is 777.1 secs Computing kpt #: 218 total cpu time spent up to now is 780.2 secs Computing kpt #: 219 total cpu time spent up to now is 784.4 secs Computing kpt #: 220 total cpu time spent up to now is 789.1 secs Computing kpt #: 221 total cpu time spent up to now is 792.5 secs Computing kpt #: 222 total cpu time spent up to now is 795.4 secs Computing kpt #: 223 total cpu time spent up to now is 798.4 secs Computing kpt #: 224 total cpu time spent up to now is 801.3 secs Computing kpt #: 225 total cpu time spent up to now is 804.5 secs Computing kpt #: 226 total cpu time spent up to now is 807.5 secs Computing kpt #: 227 total cpu time spent up to now is 810.6 secs Computing kpt #: 228 total cpu time spent up to now is 814.2 secs Computing kpt #: 229 total cpu time spent up to now is 817.2 secs Computing kpt #: 230 total cpu time spent up to now is 820.4 secs Computing kpt #: 231 total cpu time spent up to now is 823.7 secs Computing kpt #: 232 total cpu time spent up to now is 826.9 secs Computing kpt #: 233 total cpu time spent up to now is 830.5 secs Computing kpt #: 234 total cpu time spent up to now is 833.8 secs Computing kpt #: 235 total cpu time spent up to now is 837.1 secs Computing kpt #: 236 total cpu time spent up to now is 840.5 secs Computing kpt #: 237 total cpu time spent up to now is 843.8 secs Computing kpt #: 238 total cpu time spent up to now is 847.2 secs Computing kpt #: 239 total cpu time spent up to now is 850.5 secs Computing kpt #: 240 total cpu time spent up to now is 854.2 secs Computing kpt #: 241 total cpu time spent up to now is 857.8 secs Computing kpt #: 242 total cpu time spent up to now is 861.1 secs Computing kpt #: 243 total cpu time spent up to now is 864.4 secs Computing kpt #: 244 total cpu time spent up to now is 867.7 secs Computing kpt #: 245 total cpu time spent up to now is 870.9 secs Computing kpt #: 246 total cpu time spent up to now is 874.2 secs Computing kpt #: 247 total cpu time spent up to now is 877.4 secs Computing kpt #: 248 total cpu time spent up to now is 880.6 secs Computing kpt #: 249 total cpu time spent up to now is 884.6 secs Computing kpt #: 250 total cpu time spent up to now is 888.0 secs Computing kpt #: 251 total cpu time spent up to now is 891.0 secs Computing kpt #: 252 total cpu time spent up to now is 894.1 secs Computing kpt #: 253 total cpu time spent up to now is 897.1 secs Computing kpt #: 254 total cpu time spent up to now is 900.0 secs Computing kpt #: 255 total cpu time spent up to now is 903.1 secs Computing kpt #: 256 total cpu time spent up to now is 906.3 secs Computing kpt #: 257 total cpu time spent up to now is 909.3 secs Computing kpt #: 258 total cpu time spent up to now is 912.4 secs Computing kpt #: 259 total cpu time spent up to now is 915.4 secs Computing kpt #: 260 total cpu time spent up to now is 918.4 secs Computing kpt #: 261 total cpu time spent up to now is 921.4 secs Computing kpt #: 262 total cpu time spent up to now is 924.3 secs Computing kpt #: 263 total cpu time spent up to now is 927.1 secs Computing kpt #: 264 total cpu time spent up to now is 930.1 secs Computing kpt #: 265 total cpu time spent up to now is 933.8 secs ethr = 1.92E-11, avg # of iterations = 40.5 total cpu time spent up to now is 934.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4129 PWs) bands (ev): -11.3648 -11.3648 -9.3583 -9.3583 -9.1245 -9.1245 -9.1131 -9.1131 -8.5825 -8.5825 -8.5640 -8.5640 -1.5286 -1.5286 -0.1568 -0.1568 0.3607 0.3607 1.9465 1.9465 2.3274 2.3274 2.5453 2.5453 2.7452 2.7452 2.7979 2.7979 3.8256 3.8256 6.0163 6.0163 6.0319 6.0319 6.0583 6.0583 6.2279 6.2279 6.5261 6.5261 6.7220 6.7220 6.7664 6.7664 6.9840 6.9840 7.4128 7.4128 7.4277 7.4277 7.7135 7.7135 12.4505 12.4505 13.3405 13.3405 14.3121 14.3121 14.7351 14.7351 15.1983 15.1983 k = 0.0139-0.0082-0.0058 ( 4136 PWs) bands (ev): -11.3644 -11.3636 -9.3606 -9.3573 -9.1258 -9.1234 -9.1133 -9.1131 -8.5834 -8.5823 -8.5644 -8.5643 -1.5290 -1.5284 -0.1593 -0.1582 0.3620 0.3623 1.9396 1.9562 2.3287 2.3288 2.5203 2.5687 2.7104 2.7662 2.8055 2.8123 3.8135 3.8461 6.0110 6.0171 6.0303 6.0305 6.0527 6.0616 6.2263 6.2264 6.5161 6.5337 6.7140 6.7286 6.7660 6.7664 6.9820 6.9836 7.4121 7.4127 7.4272 7.4273 7.7140 7.7151 12.4480 12.4501 13.3237 13.3540 14.3108 14.3165 14.7324 14.7329 15.1738 15.2183 k = 0.0278-0.0164-0.0115 ( 4132 PWs) bands (ev): -11.3624 -11.3608 -9.3642 -9.3575 -9.1276 -9.1226 -9.1137 -9.1131 -8.5852 -8.5829 -8.5657 -8.5654 -1.5299 -1.5286 -0.1654 -0.1633 0.3663 0.3668 1.9357 1.9688 2.3327 2.3327 2.4954 2.5894 2.6751 2.7704 2.8235 2.8500 3.8102 3.8746 6.0006 6.0139 6.0259 6.0262 6.0452 6.0622 6.2217 6.2222 6.5041 6.5384 6.7048 6.7334 6.7653 6.7661 6.9776 6.9807 7.4105 7.4118 7.4260 7.4262 7.7164 7.7186 12.4429 12.4468 13.3037 13.3639 14.3126 14.3238 14.7249 14.7261 15.1457 15.2332 k = 0.0417-0.0246-0.0173 ( 4133 PWs) bands (ev): -11.3587 -11.3563 -9.3692 -9.3591 -9.1299 -9.1220 -9.1142 -9.1129 -8.5876 -8.5842 -8.5677 -8.5672 -1.5311 -1.5291 -0.1752 -0.1721 0.3735 0.3743 1.9347 1.9842 2.3390 2.3392 2.4719 2.6064 2.6427 2.7723 2.8496 2.8950 3.8156 3.9108 5.9843 6.0069 6.0186 6.0187 6.0365 6.0599 6.2135 6.2161 6.4901 6.5395 6.6954 6.7365 6.7643 6.7656 6.9710 6.9756 7.4080 7.4099 7.4240 7.4242 7.7206 7.7240 12.4351 12.4405 13.2805 13.3702 14.3172 14.3334 14.7128 14.7154 15.1146 15.2421 k = 0.0556-0.0327-0.0231 ( 4137 PWs) bands (ev): -11.3534 -11.3501 -9.3756 -9.3622 -9.1328 -9.1218 -9.1146 -9.1124 -8.5909 -8.5863 -8.5705 -8.5699 -1.5325 -1.5300 -0.1885 -0.1846 0.3837 0.3846 1.9364 2.0023 2.3470 2.3481 2.4515 2.6093 2.6253 2.7753 2.8826 2.9427 3.8299 3.9540 5.9620 5.9959 6.0078 6.0086 6.0265 6.0546 6.2022 6.2085 6.4743 6.5361 6.6867 6.7377 6.7631 6.7651 6.9628 6.9687 7.4046 7.4069 7.4213 7.4213 7.7262 7.7311 12.4249 12.4311 13.2542 13.3725 14.3242 14.3444 14.6967 14.7018 15.0814 15.2439 k = 0.0694-0.0409-0.0288 ( 4149 PWs) bands (ev): -11.3465 -11.3424 -9.3836 -9.3670 -9.1361 -9.1223 -9.1143 -9.1115 -8.5948 -8.5892 -8.5740 -8.5733 -1.5342 -1.5312 -0.2051 -0.2005 0.3967 0.3978 1.9410 2.0228 2.3555 2.3587 2.4361 2.5863 2.6364 2.7797 2.9213 2.9919 3.8529 4.0039 5.9337 5.9809 5.9935 5.9957 6.0152 6.0463 6.1883 6.1997 6.4567 6.5275 6.6798 6.7372 6.7615 6.7648 6.9532 6.9604 7.4001 7.4029 7.4175 7.4176 7.7330 7.7394 12.4123 12.4186 13.2248 13.3708 14.3328 14.3553 14.6775 14.6874 15.0467 15.2382 k = 0.0833-0.0491-0.0346 ( 4149 PWs) bands (ev): -11.3379 -11.3330 -9.3933 -9.3735 -9.1396 -9.1234 -9.1133 -9.1102 -8.5995 -8.5928 -8.5783 -8.5774 -1.5360 -1.5326 -0.2249 -0.2198 0.4126 0.4139 1.9482 2.0455 2.3621 2.3704 2.4287 2.5667 2.6488 2.7854 2.9641 3.0418 3.8844 4.0599 5.8999 5.9618 5.9757 5.9796 6.0023 6.0348 6.1724 6.1900 6.4374 6.5132 6.6753 6.7353 6.7598 6.7649 6.9430 6.9512 7.3945 7.3977 7.4125 7.4130 7.7406 7.7488 12.3974 12.4028 13.1924 13.3647 14.3415 14.3637 14.6567 14.6750 15.0115 15.2249 k = 0.0972-0.0573-0.0404 ( 4141 PWs) bands (ev): -11.3278 -11.3220 -9.4049 -9.3822 -9.1431 -9.1248 -9.1117 -9.1085 -8.6049 -8.5971 -8.5832 -8.5822 -1.5378 -1.5341 -0.2477 -0.2422 0.4312 0.4327 1.9582 2.0699 2.3645 2.3820 2.4321 2.5534 2.6619 2.7926 3.0098 3.0919 3.9238 4.1215 5.8609 5.9386 5.9544 5.9599 5.9876 6.0200 6.1552 6.1796 6.4163 6.4937 6.6734 6.7324 6.7579 6.7651 6.9327 6.9417 7.3877 7.3914 7.4065 7.4072 7.7488 7.7589 12.3803 12.3837 13.1570 13.3541 14.3482 14.3667 14.6362 14.6681 14.9764 15.2046 k = 0.1111-0.0655-0.0461 ( 4136 PWs) bands (ev): -11.3160 -11.3095 -9.4184 -9.3930 -9.1462 -9.1263 -9.1097 -9.1064 -8.6109 -8.6021 -8.5889 -8.5878 -1.5396 -1.5356 -0.2733 -0.2676 0.4526 0.4542 1.9707 2.0954 2.3643 2.3919 2.4453 2.5478 2.6764 2.8014 3.0574 3.1417 3.9706 4.1882 5.8174 5.9113 5.9295 5.9362 5.9709 6.0023 6.1374 6.1683 6.3936 6.4700 6.6736 6.7289 6.7559 6.7655 6.9227 6.9323 7.3798 7.3840 7.3992 7.4002 7.7571 7.7693 12.3612 12.3614 13.1184 13.3385 14.3498 14.3612 14.6190 14.6704 14.9425 15.1781 k = 0.1250-0.0737-0.0519 ( 4134 PWs) bands (ev): -11.3027 -11.2953 -9.4341 -9.4063 -9.1488 -9.1274 -9.1073 -9.1040 -8.6176 -8.6078 -8.5953 -8.5940 -1.5413 -1.5372 -0.3014 -0.2956 0.4767 0.4784 1.9858 2.1212 2.3656 2.3988 2.4649 2.5513 2.6926 2.8120 3.1058 3.1905 4.0244 4.2594 5.7700 5.8800 5.9009 5.9081 5.9523 5.9820 6.1194 6.1562 6.3694 6.4430 6.6754 6.7254 6.7538 6.7660 6.9134 6.9235 7.3706 7.3754 7.3907 7.3918 7.7653 7.7797 12.3358 12.3401 13.0766 13.3178 14.3428 14.3457 14.6079 14.6838 14.9109 15.1466 k = 0.1389-0.0818-0.0576 ( 4127 PWs) bands (ev): -11.2878 -11.2796 -9.4520 -9.4221 -9.1507 -9.1281 -9.1045 -9.1013 -8.6250 -8.6142 -8.6023 -8.6009 -1.5428 -1.5386 -0.3317 -0.3261 0.5034 0.5052 2.0035 2.1463 2.3713 2.4025 2.4886 2.5639 2.7111 2.8246 3.1542 3.2378 4.0845 4.3347 5.7192 5.8448 5.8686 5.8753 5.9318 5.9598 6.1011 6.1430 6.3441 6.4139 6.6783 6.7221 6.7518 6.7665 6.9052 6.9155 7.3603 7.3657 7.3809 7.3821 7.7732 7.7899 12.3069 12.3171 13.0315 13.2917 14.3213 14.3254 14.6038 14.7077 14.8833 15.1106 k = 0.1528-0.0900-0.0634 ( 4127 PWs) bands (ev): -11.2713 -11.2623 -9.4721 -9.4404 -9.1517 -9.1282 -9.1014 -9.0982 -8.6329 -8.6211 -8.6099 -8.6083 -1.5440 -1.5398 -0.3642 -0.3588 0.5326 0.5346 2.0237 2.1697 2.3831 2.4039 2.5154 2.5842 2.7320 2.8395 3.2020 3.2831 4.1501 4.4134 5.6655 5.8060 5.8329 5.8380 5.9093 5.9362 6.0824 6.1286 6.3180 6.3835 6.6821 6.7193 6.7502 6.7670 6.8983 6.9086 7.3487 7.3550 7.3699 7.3710 7.7805 7.7995 12.2747 12.2924 12.9830 13.2599 14.2900 14.2979 14.6041 14.7401 14.8621 15.0713 k = 0.1667-0.0982-0.0692 ( 4121 PWs) bands (ev): -11.2533 -11.2435 -9.4944 -9.4614 -9.1518 -9.1277 -9.0980 -9.0949 -8.6414 -8.6287 -8.6181 -8.6164 -1.5449 -1.5407 -0.3984 -0.3934 0.5644 0.5665 2.0464 2.1906 2.4019 2.4044 2.5446 2.6104 2.7554 2.8569 3.2484 3.3258 4.2207 4.4948 5.6095 5.7638 5.7937 5.7965 5.8851 5.9115 6.0632 6.1130 6.2916 6.3528 6.6866 6.7173 6.7490 6.7677 6.8927 6.9028 7.3358 7.3431 7.3578 7.3586 7.7872 7.8084 12.2394 12.2658 12.9312 13.2223 14.2544 14.2630 14.6031 14.7780 14.8509 15.0300 k = 0.1806-0.1064-0.0749 ( 4120 PWs) bands (ev): -11.2338 -11.2232 -9.5189 -9.4848 -9.1509 -9.1265 -9.0943 -9.0911 -8.6505 -8.6368 -8.6268 -8.6250 -1.5452 -1.5412 -0.4342 -0.4296 0.5986 0.6008 2.0714 2.2088 2.4052 2.4277 2.5758 2.6409 2.7814 2.8768 3.2930 3.3655 4.2954 4.5784 5.5518 5.7185 5.7511 5.7514 5.8591 5.8860 6.0432 6.0962 6.2655 6.3226 6.6917 6.7162 6.7486 6.7685 6.8884 6.8982 7.3218 7.3303 7.3447 7.3450 7.7930 7.8164 12.2011 12.2376 12.8759 13.1786 14.2163 14.2234 14.5952 14.8170 14.8525 14.9897 k = 0.1944-0.1146-0.0807 ( 4118 PWs) bands (ev): -11.2128 -11.2013 -9.5456 -9.5107 -9.1491 -9.1245 -9.0902 -9.0871 -8.6600 -8.6455 -8.6361 -8.6342 -1.5450 -1.5412 -0.4714 -0.4672 0.6351 0.6375 2.0988 2.2246 2.4069 2.4598 2.6089 2.6745 2.8100 2.8993 3.3353 3.4019 4.3734 4.6631 5.4927 5.6705 5.7023 5.7064 5.8315 5.8597 6.0225 6.0781 6.2403 6.2937 6.6973 6.7162 6.7489 6.7696 6.8854 6.8945 7.3068 7.3164 7.3304 7.3307 7.7980 7.8235 12.1599 12.2078 12.8171 13.1290 14.1773 14.1815 14.5778 14.8448 14.8669 14.9616 k = 0.2083-0.1228-0.0865 ( 4126 PWs) bands (ev): -11.1903 -11.1780 -9.5743 -9.5388 -9.1464 -9.1218 -9.0859 -9.0827 -8.6700 -8.6546 -8.6459 -8.6438 -1.5442 -1.5407 -0.5097 -0.5060 0.6740 0.6765 2.1285 2.2389 2.4098 2.4969 2.6436 2.7102 2.8411 2.9245 3.3749 3.4345 4.4539 4.7478 5.4327 5.6201 5.6506 5.6592 5.8024 5.8325 6.0014 6.0590 6.2167 6.2670 6.7035 6.7174 6.7502 6.7710 6.8834 6.8917 7.2907 7.3015 7.3148 7.3158 7.8019 7.8293 12.1159 12.1765 12.7549 13.0734 14.1384 14.1389 14.5521 14.8349 14.8908 14.9708 k = 0.2222-0.1309-0.0922 ( 4128 PWs) bands (ev): -11.1664 -11.1533 -9.6049 -9.5691 -9.1429 -9.1184 -9.0812 -9.0781 -8.6805 -8.6642 -8.6561 -8.6539 -1.5426 -1.5394 -0.5488 -0.5457 0.7151 0.7178 2.1603 2.2521 2.4138 2.5378 2.6798 2.7472 2.8747 2.9524 3.4116 3.4634 4.5355 4.8309 5.3725 5.5679 5.5965 5.6107 5.7716 5.8042 5.9801 6.0392 6.1954 6.2432 6.7103 6.7196 6.7524 6.7728 6.8823 6.8897 7.2740 7.2857 7.2986 7.3001 7.8049 7.8340 12.0694 12.1436 12.6895 13.0123 14.0969 14.1006 14.5201 14.7945 14.9195 15.0084 k = 0.2361-0.1391-0.0980 ( 4128 PWs) bands (ev): -11.1410 -11.1271 -9.6374 -9.6013 -9.1385 -9.1143 -9.0763 -9.0731 -8.6913 -8.6742 -8.6668 -8.6643 -1.5403 -1.5374 -0.5887 -0.5861 0.7584 0.7613 2.1939 2.2647 2.4189 2.5815 2.7172 2.7849 2.9107 2.9828 3.4453 3.4886 4.6171 4.9098 5.3129 5.5144 5.5406 5.5621 5.7394 5.7743 5.9593 6.0193 6.1772 6.2232 6.7177 6.7230 6.7556 6.7749 6.8820 6.8881 7.2568 7.2691 7.2820 7.2838 7.8068 7.8373 12.0206 12.1093 12.6210 12.9458 14.0563 14.0643 14.4839 14.7440 14.9483 15.0502 k = 0.2500-0.1473-0.1038 ( 4130 PWs) bands (ev): -11.1142 -11.0995 -9.6716 -9.6354 -9.1335 -9.1095 -9.0710 -9.0678 -8.7026 -8.6845 -8.6778 -8.6751 -1.5370 -1.5345 -0.6290 -0.6269 0.8039 0.8069 2.2292 2.2768 2.4249 2.6269 2.7557 2.8226 2.9489 3.0155 3.4762 3.5103 4.6966 4.9799 5.2556 5.4599 5.4838 5.5155 5.7056 5.7426 5.9398 6.0004 6.1630 6.2076 6.7257 6.7273 6.7596 6.7775 6.8822 6.8869 7.2394 7.2519 7.2653 7.2669 7.8077 7.8392 11.9699 12.0738 12.5497 12.8746 14.0177 14.0301 14.4447 14.6901 14.9734 15.0847 k = 0.2639-0.1555-0.1095 ( 4127 PWs) bands (ev): -11.0861 -11.0706 -9.7074 -9.6712 -9.1278 -9.1041 -9.0654 -9.0621 -8.7141 -8.6953 -8.6892 -8.6863 -1.5328 -1.5307 -0.6696 -0.6680 0.8514 0.8547 2.2653 2.2881 2.4317 2.6734 2.7953 2.8597 2.9893 3.0503 3.5047 3.5291 4.7716 5.0318 5.2049 5.4042 5.4283 5.4745 5.6702 5.7086 5.9223 5.9840 6.1534 6.1970 6.7324 6.7343 6.7644 6.7803 6.8828 6.8858 7.2221 7.2340 7.2488 7.2495 7.8074 7.8395 11.9175 12.0371 12.4759 12.7994 13.9816 13.9984 14.4034 14.6347 14.9917 15.1052 k = 0.2778-0.1637-0.1153 ( 4128 PWs) bands (ev): -11.0566 -11.0403 -9.7446 -9.7086 -9.1215 -9.0981 -9.0595 -9.0562 -8.7259 -8.7063 -8.7008 -8.6977 -1.5277 -1.5259 -0.7103 -0.7092 0.9010 0.9045 2.2983 2.3011 2.4398 2.7201 2.8357 2.8957 3.0316 3.0869 3.5311 3.5457 4.8382 5.0466 5.1718 5.3461 5.3782 5.4451 5.6332 5.6722 5.9081 5.9723 6.1490 6.1919 6.7379 6.7432 6.7699 6.7836 6.8836 6.8847 7.2051 7.2154 7.2321 7.2332 7.8059 7.8383 11.8640 11.9994 12.4002 12.7208 13.9481 13.9694 14.3607 14.5788 15.0025 15.1119 k = 0.2917-0.1719-0.1211 ( 4134 PWs) bands (ev): -11.0259 -11.0087 -9.7832 -9.7473 -9.1146 -9.0916 -9.0534 -9.0500 -8.7379 -8.7175 -8.7126 -8.7093 -1.5214 -1.5200 -0.7510 -0.7503 0.9525 0.9562 2.3068 2.3340 2.4509 2.7665 2.8769 2.9302 3.0754 3.1251 3.5560 3.5610 4.8912 5.0175 5.1544 5.2851 5.3376 5.4333 5.5950 5.6333 5.8988 5.9684 6.1501 6.1924 6.7436 6.7522 6.7758 6.7872 6.8834 6.8845 7.1883 7.1960 7.2151 7.2191 7.8032 7.8352 11.8099 11.9610 12.3230 12.6395 13.9174 13.9432 14.3170 14.5231 15.0071 15.1097 k = 0.3056-0.1800-0.1268 ( 4138 PWs) bands (ev): -10.9939 -10.9759 -9.8229 -9.7873 -9.1071 -9.0845 -9.0469 -9.0436 -8.7501 -8.7290 -8.7247 -8.7212 -1.5141 -1.5130 -0.7915 -0.7911 1.0059 1.0097 2.3128 2.3592 2.4688 2.8118 2.9187 2.9628 3.1205 3.1645 3.5760 3.5801 4.9238 4.9682 5.1284 5.2222 5.3103 5.4360 5.5559 5.5923 5.8964 5.9758 6.1568 6.1985 6.7489 6.7612 6.7819 6.7913 6.8818 6.8853 7.1713 7.1759 7.1996 7.2073 7.7991 7.8301 11.7556 11.9223 12.2448 12.5566 13.8896 13.9200 14.2730 14.4682 15.0074 15.1029 k = 0.3194-0.1882-0.1326 ( 4136 PWs) bands (ev): -10.9606 -10.9419 -9.8638 -9.8284 -9.0992 -9.0769 -9.0402 -9.0368 -8.7625 -8.7407 -8.7367 -8.7331 -1.5056 -1.5048 -0.8317 -0.8315 1.0610 1.0651 2.3156 2.3720 2.4971 2.8557 2.9609 2.9934 3.1664 3.2050 3.5917 3.6039 4.9137 4.9315 5.0886 5.1584 5.2977 5.4404 5.5171 5.5495 5.9035 5.9973 6.1687 6.2102 6.7532 6.7698 6.7878 6.7957 6.8799 6.8861 7.1535 7.1550 7.1871 7.1984 7.7935 7.8229 11.7019 11.8835 12.1663 12.4727 13.8646 13.8999 14.2289 14.4144 15.0053 15.0941 k = 0.3333-0.1964-0.1384 ( 4137 PWs) bands (ev): -10.9262 -10.9067 -9.9056 -9.8706 -9.0908 -9.0689 -9.0333 -9.0299 -8.7749 -8.7526 -8.7488 -8.7452 -1.4959 -1.4954 -0.8714 -0.8713 1.1178 1.1221 2.3143 2.3724 2.5348 2.8977 3.0032 3.0220 3.2129 3.2464 3.6087 3.6276 4.8587 4.9164 5.0402 5.0944 5.2950 5.4334 5.4818 5.5054 5.9224 6.0335 6.1854 6.2271 6.7558 6.7776 6.7928 6.8004 6.8780 6.8869 7.1334 7.1342 7.1788 7.1934 7.7863 7.8134 11.6495 11.8451 12.0879 12.3888 13.8426 13.8829 14.1854 14.3621 15.0022 15.0849 k = 0.3472-0.2046-0.1441 ( 4141 PWs) bands (ev): -10.8907 -10.8703 -9.9482 -9.9136 -9.0820 -9.0605 -9.0262 -9.0228 -8.7873 -8.7647 -8.7608 -8.7573 -1.4850 -1.4848 -0.9107 -0.9104 1.1763 1.1806 2.3080 2.3630 2.5785 2.9377 3.0452 3.0484 3.2594 3.2886 3.6277 3.6512 4.8054 4.8857 4.9878 5.0307 5.2940 5.4081 5.4540 5.4606 5.9544 6.0820 6.2061 6.2488 6.7563 6.7843 6.7959 6.8051 6.8766 6.8877 7.1112 7.1137 7.1753 7.1929 7.7772 7.8011 11.5991 11.8077 12.0104 12.3056 13.8236 13.8690 14.1427 14.3115 14.9988 15.0758 k = 0.3611-0.2128-0.1499 ( 4149 PWs) bands (ev): -10.8540 -10.8329 -9.9915 -9.9573 -9.0729 -9.0518 -9.0189 -9.0155 -8.7997 -8.7768 -8.7727 -8.7694 -1.4728 -1.4728 -0.9493 -0.9489 1.2362 1.2405 2.2962 2.3456 2.6256 2.9758 3.0726 3.0863 3.3057 3.3314 3.6486 3.6745 4.7548 4.8465 4.9341 4.9682 5.2884 5.3713 5.4156 5.4282 5.9985 6.1386 6.2302 6.2751 6.7543 6.7881 6.7974 6.8093 6.8764 6.8887 7.0885 7.0922 7.1769 7.1976 7.7661 7.7861 11.5516 11.7720 11.9344 12.2240 13.8075 13.8583 14.1013 14.2629 14.9957 15.0674 k = 0.3750-0.2210-0.1556 ( 4154 PWs) bands (ev): -10.8164 -10.7945 -10.0355 -10.0017 -9.0634 -9.0427 -9.0114 -9.0081 -8.8118 -8.7889 -8.7844 -8.7814 -1.4595 -1.4593 -0.9870 -0.9865 1.2974 1.3018 2.2782 2.3212 2.6746 3.0123 3.0943 3.1258 3.3513 3.3747 3.6709 3.6967 4.7083 4.8040 4.8810 4.9074 5.2759 5.3315 5.3713 5.3988 6.0523 6.1988 6.2569 6.3060 6.7497 6.7850 6.8005 6.8125 6.8778 6.8902 7.0655 7.0702 7.1839 7.2081 7.7527 7.7679 11.5078 11.7385 11.8606 12.1449 13.7944 13.8506 14.0615 14.2165 14.9933 15.0599 k = 0.3889-0.2291-0.1614 ( 4150 PWs) bands (ev): -10.7777 -10.7551 -10.0799 -10.0466 -9.0537 -9.0335 -9.0040 -9.0008 -8.8237 -8.8009 -8.7958 -8.7933 -1.4448 -1.4445 -1.0237 -1.0232 1.3598 1.3641 2.2538 2.2902 2.7247 3.0473 3.1133 3.1629 3.3960 3.4184 3.6938 3.7169 4.6669 4.7612 4.8297 4.8491 5.2572 5.2919 5.3281 5.3657 6.1124 6.2581 6.2856 6.3420 6.7425 6.7755 6.8044 6.8142 6.8804 6.8923 7.0423 7.0480 7.1964 7.2244 7.7367 7.7464 11.4686 11.7081 11.7895 12.0691 13.7842 13.8460 14.0236 14.1725 14.9920 15.0536 k = 0.4028-0.2373-0.1672 ( 4143 PWs) bands (ev): -10.7381 -10.7147 -10.1247 -10.0919 -9.0437 -9.0240 -8.9966 -8.9937 -8.8351 -8.8126 -8.8069 -8.8049 -1.4287 -1.4283 -1.0594 -1.0589 1.4232 1.4273 2.2232 2.2533 2.7752 3.0812 3.1288 3.1966 3.4396 3.4623 3.7160 3.7338 4.6314 4.7204 4.7813 4.7943 5.2339 5.2540 5.2870 5.3302 6.1751 6.3120 6.3156 6.3842 6.7330 6.7615 6.8072 6.8137 6.8838 6.8949 7.0192 7.0261 7.2144 7.2465 7.7180 7.7214 11.4347 11.6816 11.7219 11.9972 13.7771 13.8444 13.9878 14.1310 14.9918 15.0486 k = 0.4167-0.2455-0.1729 ( 4140 PWs) bands (ev): -10.6977 -10.6735 -10.1698 -10.1376 -9.0336 -9.0146 -8.9895 -8.9870 -8.8458 -8.8237 -8.8175 -8.8163 -1.4112 -1.4108 -1.0941 -1.0936 1.4875 1.4912 2.1866 2.2109 2.8253 3.1141 3.1402 3.2258 3.4817 3.5060 3.7360 3.7462 4.6027 4.6828 4.7366 4.7439 5.2083 5.2192 5.2486 5.2938 6.2373 6.3464 6.3588 6.4322 6.7220 6.7444 6.8081 6.8104 6.8873 6.8981 6.9965 7.0050 7.2377 7.2740 7.6929 7.6964 11.4070 11.6584 11.6596 11.9301 13.7729 13.8459 13.9545 14.0922 14.9930 15.0449 k = 0.4306-0.2537-0.1787 ( 4137 PWs) bands (ev): -10.6564 -10.6315 -10.2150 -10.1834 -9.0235 -9.0052 -8.9827 -8.9810 -8.8554 -8.8342 -8.8277 -8.8273 -1.3923 -1.3919 -1.1276 -1.1272 1.5524 1.5556 2.1445 2.1636 2.8746 3.1458 3.1464 3.2495 3.5222 3.5491 3.7521 3.7531 4.5813 4.6498 4.6965 4.6989 5.1825 5.1886 5.2137 5.2579 6.2959 6.3775 6.3997 6.4824 6.7104 6.7250 6.8036 6.8063 6.8907 6.9016 6.9750 6.9855 7.2661 7.3061 7.6609 7.6716 11.3862 11.5996 11.6431 11.8685 13.7718 13.8503 13.9237 14.0560 14.9955 15.0426 k = 0.4444-0.2619-0.1845 ( 4135 PWs) bands (ev): -10.6144 -10.5888 -10.2603 -10.2293 -9.0135 -8.9961 -8.9768 -8.9762 -8.8635 -8.8435 -8.8378 -8.8371 -1.3720 -1.3715 -1.1599 -1.1596 1.6176 1.6202 2.0975 2.1121 2.9221 3.1467 3.1758 3.2668 3.5611 3.5911 3.7537 3.7626 4.5673 4.6222 4.6603 4.6615 5.1587 5.1633 5.1829 5.2239 6.3478 6.4082 6.4374 6.5303 6.6998 6.7047 6.7928 6.8005 6.8939 6.9054 6.9556 6.9681 7.2990 7.3421 7.6256 7.6435 11.3727 11.5463 11.6325 11.8129 13.7736 13.8578 13.8955 14.0225 14.9994 15.0416 k = 0.4583-0.2701-0.1902 ( 4131 PWs) bands (ev): -10.5718 -10.5454 -10.3056 -10.2752 -9.0038 -8.9876 -8.9732 -8.9720 -8.8693 -8.8513 -8.8476 -8.8454 -1.3502 -1.3499 -1.1910 -1.1908 1.6830 1.6846 2.0463 2.0570 2.9673 3.1403 3.2037 3.2771 3.5979 3.6311 3.7475 3.7661 4.5602 4.6009 4.6288 4.6318 5.1388 5.1445 5.1570 5.1932 6.3909 6.4365 6.4729 6.5711 6.6867 6.6926 6.7776 6.7896 6.8971 6.9095 6.9391 6.9535 7.3358 7.3808 7.5873 7.6123 11.3669 11.4989 11.6287 11.7641 13.7785 13.8682 13.8701 13.9919 15.0049 15.0421 k = 0.4722-0.2783-0.1960 ( 4130 PWs) bands (ev): -10.5285 -10.5014 -10.3508 -10.3209 -8.9946 -8.9801 -8.9726 -8.9690 -8.8724 -8.8569 -8.8564 -8.8524 -1.3271 -1.3268 -1.2208 -1.2207 1.7481 1.7486 1.9915 1.9990 3.0092 3.1270 3.2287 3.2802 3.6325 3.6682 3.7349 3.7617 4.5594 4.5865 4.6049 4.6074 5.1244 5.1331 5.1367 5.1673 6.4246 6.4581 6.5065 6.5944 6.6805 6.6918 6.7586 6.7729 6.9005 6.9140 6.9261 6.9416 7.3756 7.4212 7.5466 7.5781 11.3692 11.4580 11.6321 11.7224 13.7863 13.8475 13.8815 13.9641 15.0118 15.0441 k = 0.4861-0.2864-0.2018 ( 4130 PWs) bands (ev): -10.4847 -10.4568 -10.3957 -10.3666 -8.9863 -8.9748 -8.9740 -8.9682 -8.8724 -8.8638 -8.8600 -8.8575 -1.3026 -1.3023 -1.2494 -1.2493 1.8118 1.8127 1.9337 1.9386 3.0470 3.1066 3.2497 3.2763 3.6642 3.7011 3.7162 3.7490 4.5641 4.5796 4.5882 4.5887 5.1166 5.1228 5.1297 5.1473 6.4493 6.4680 6.5382 6.5891 6.6969 6.7000 6.7372 6.7505 6.9045 6.9165 6.9191 6.9324 7.4177 7.4620 7.5041 7.5413 11.3796 11.4243 11.6430 11.6881 13.7972 13.8278 13.8978 13.9391 15.0203 15.0418 k = 0.5000-0.2946-0.2075 ( 4128 PWs) bands (ev): -10.4404 -10.4404 -10.4119 -10.4119 -8.9795 -8.9795 -8.9699 -8.9699 -8.8693 -8.8693 -8.8602 -8.8602 -1.2766 -1.2766 -1.2765 -1.2765 1.8736 1.8736 1.8763 1.8763 3.0798 3.0798 3.2659 3.2659 3.6924 3.6924 3.7285 3.7285 4.5738 4.5738 4.5802 4.5802 5.1160 5.1160 5.1345 5.1345 6.4645 6.4645 6.5667 6.5667 6.7163 6.7163 6.7239 6.7239 6.9096 6.9096 6.9250 6.9250 7.4608 7.4608 7.5024 7.5024 11.3980 11.3980 11.6616 11.6616 13.8110 13.8110 13.9170 13.9170 15.0303 15.0303 k = 0.5000-0.2946-0.2075 ( 4128 PWs) bands (ev): -10.4404 -10.4404 -10.4119 -10.4119 -8.9795 -8.9795 -8.9699 -8.9699 -8.8693 -8.8693 -8.8602 -8.8602 -1.2766 -1.2766 -1.2765 -1.2765 1.8736 1.8736 1.8763 1.8763 3.0798 3.0798 3.2659 3.2659 3.6924 3.6924 3.7285 3.7285 4.5738 4.5738 4.5802 4.5802 5.1160 5.1160 5.1345 5.1345 6.4645 6.4645 6.5667 6.5667 6.7163 6.7163 6.7239 6.7239 6.9096 6.9096 6.9250 6.9250 7.4608 7.4608 7.5024 7.5024 11.3980 11.3980 11.6616 11.6616 13.8110 13.8110 13.9170 13.9170 15.0303 15.0303 k = 0.5000-0.2847-0.2216 ( 4126 PWs) bands (ev): -10.4398 -10.4398 -10.4113 -10.4113 -8.9824 -8.9824 -8.9717 -8.9716 -8.8682 -8.8682 -8.8581 -8.8581 -1.2768 -1.2768 -1.2766 -1.2766 1.8742 1.8742 1.8773 1.8773 3.0784 3.0784 3.2676 3.2676 3.6885 3.6885 3.7371 3.7371 4.5660 4.5661 4.5825 4.5825 5.1176 5.1176 5.1381 5.1381 6.4625 6.4625 6.5657 6.5657 6.7133 6.7133 6.7261 6.7261 6.9082 6.9082 6.9238 6.9238 7.4608 7.4608 7.5027 7.5027 11.3981 11.3981 11.6626 11.6626 13.8061 13.8061 13.9184 13.9184 15.0192 15.0192 k = 0.5000-0.2748-0.2357 ( 4130 PWs) bands (ev): -10.4383 -10.4383 -10.4097 -10.4097 -8.9902 -8.9902 -8.9771 -8.9771 -8.8648 -8.8648 -8.8529 -8.8528 -1.2774 -1.2774 -1.2769 -1.2769 1.8760 1.8760 1.8800 1.8800 3.0747 3.0747 3.2724 3.2724 3.6831 3.6831 3.7565 3.7565 4.5511 4.5511 4.5816 4.5816 5.1227 5.1227 5.1478 5.1478 6.4565 6.4565 6.5623 6.5623 6.7076 6.7076 6.7291 6.7291 6.9042 6.9042 6.9204 6.9204 7.4608 7.4608 7.5036 7.5036 11.3984 11.3984 11.6655 11.6655 13.7926 13.7926 13.9213 13.9214 15.0008 15.0008 k = 0.5000-0.2648-0.2498 ( 4128 PWs) bands (ev): -10.4356 -10.4356 -10.4071 -10.4071 -9.0014 -9.0014 -8.9862 -8.9862 -8.8593 -8.8593 -8.8457 -8.8456 -1.2781 -1.2781 -1.2774 -1.2774 1.8793 1.8793 1.8845 1.8845 3.0695 3.0695 3.2794 3.2794 3.6814 3.6814 3.7812 3.7812 4.5315 4.5316 4.5759 4.5759 5.1318 5.1318 5.1625 5.1625 6.4465 6.4465 6.5563 6.5563 6.7006 6.7006 6.7308 6.7308 6.8982 6.8982 6.9150 6.9150 7.4608 7.4608 7.5051 7.5051 11.3988 11.3988 11.6703 11.6703 13.7726 13.7726 13.9240 13.9240 14.9812 14.9812 k = 0.5000-0.2549-0.2639 ( 4122 PWs) bands (ev): -10.4320 -10.4320 -10.4034 -10.4034 -9.0151 -9.0151 -8.9983 -8.9983 -8.8522 -8.8522 -8.8375 -8.8375 -1.2792 -1.2792 -1.2782 -1.2782 1.8840 1.8840 1.8905 1.8905 3.0637 3.0637 3.2875 3.2875 3.6849 3.6849 3.8095 3.8095 4.5085 4.5085 4.5660 4.5660 5.1448 5.1448 5.1809 5.1809 6.4328 6.4328 6.5472 6.5472 6.6924 6.6924 6.7304 6.7304 6.8911 6.8911 6.9083 6.9083 7.4607 7.4607 7.5069 7.5069 11.3994 11.3994 11.6768 11.6768 13.7481 13.7481 13.9246 13.9246 14.9613 14.9613 k = 0.5000-0.2450-0.2780 ( 4122 PWs) bands (ev): -10.4273 -10.4273 -10.3987 -10.3987 -9.0307 -9.0307 -9.0126 -9.0126 -8.8444 -8.8444 -8.8289 -8.8289 -1.2805 -1.2805 -1.2794 -1.2794 1.8903 1.8903 1.8981 1.8981 3.0583 3.0583 3.2961 3.2961 3.6937 3.6937 3.8402 3.8402 4.4828 4.4828 4.5528 4.5528 5.1613 5.1613 5.2022 5.2022 6.4152 6.4152 6.5346 6.5346 6.6827 6.6827 6.7271 6.7271 6.8840 6.8840 6.9014 6.9014 7.4605 7.4605 7.5090 7.5090 11.4003 11.4003 11.6848 11.6848 13.7202 13.7202 13.9224 13.9224 14.9415 14.9415 k = 0.5000-0.2350-0.2921 ( 4128 PWs) bands (ev): -10.4217 -10.4217 -10.3929 -10.3929 -9.0476 -9.0476 -9.0287 -9.0287 -8.8362 -8.8362 -8.8203 -8.8203 -1.2822 -1.2822 -1.2808 -1.2808 1.8981 1.8981 1.9074 1.9074 3.0538 3.0538 3.3045 3.3045 3.7075 3.7075 3.8723 3.8723 4.4554 4.4554 4.5375 4.5375 5.1805 5.1805 5.2257 5.2257 6.3940 6.3940 6.5178 6.5178 6.6713 6.6713 6.7204 6.7204 6.8777 6.8777 6.8954 6.8954 7.4603 7.4603 7.5112 7.5112 11.4013 11.4013 11.6940 11.6940 13.6901 13.6901 13.9169 13.9169 14.9221 14.9221 k = 0.5000-0.2251-0.3062 ( 4130 PWs) bands (ev): -10.4151 -10.4151 -10.3863 -10.3863 -9.0658 -9.0657 -9.0462 -9.0461 -8.8279 -8.8279 -8.8118 -8.8118 -1.2841 -1.2841 -1.2825 -1.2825 1.9076 1.9076 1.9182 1.9182 3.0509 3.0509 3.3127 3.3127 3.7254 3.7255 3.9050 3.9050 4.4273 4.4274 4.5212 4.5212 5.2019 5.2019 5.2510 5.2510 6.3689 6.3689 6.4962 6.4962 6.6579 6.6579 6.7099 6.7099 6.8726 6.8726 6.8915 6.8915 7.4600 7.4600 7.5134 7.5134 11.4026 11.4026 11.7042 11.7042 13.6583 13.6583 13.9081 13.9081 14.9030 14.9030 k = 0.5000-0.2152-0.3203 ( 4134 PWs) bands (ev): -10.4075 -10.4075 -10.3786 -10.3786 -9.0849 -9.0849 -9.0647 -9.0647 -8.8198 -8.8198 -8.8036 -8.8036 -1.2864 -1.2864 -1.2846 -1.2846 1.9186 1.9186 1.9307 1.9307 3.0500 3.0500 3.3207 3.3207 3.7465 3.7465 3.9372 3.9372 4.3997 4.3997 4.5053 4.5053 5.2248 5.2248 5.2774 5.2774 6.3399 6.3399 6.4695 6.4695 6.6430 6.6430 6.6957 6.6957 6.8691 6.8691 6.8900 6.8900 7.4597 7.4597 7.5156 7.5156 11.4040 11.4040 11.7150 11.7150 13.6255 13.6255 13.8963 13.8963 14.8844 14.8844 k = 0.5000-0.2052-0.3344 ( 4130 PWs) bands (ev): -10.3991 -10.3991 -10.3701 -10.3701 -9.1048 -9.1048 -9.0843 -9.0843 -8.8119 -8.8119 -8.7958 -8.7958 -1.2889 -1.2889 -1.2869 -1.2869 1.9313 1.9313 1.9447 1.9447 3.0511 3.0511 3.3289 3.3289 3.7693 3.7693 3.9675 3.9675 4.3737 4.3737 4.4909 4.4909 5.2488 5.2488 5.3049 5.3049 6.3071 6.3071 6.4374 6.4374 6.6269 6.6269 6.6784 6.6784 6.8673 6.8673 6.8907 6.8907 7.4592 7.4593 7.5177 7.5177 11.4056 11.4056 11.7262 11.7262 13.5924 13.5924 13.8818 13.8818 14.8659 14.8659 k = 0.5000-0.1953-0.3485 ( 4134 PWs) bands (ev): -10.3899 -10.3899 -10.3608 -10.3608 -9.1255 -9.1255 -9.1046 -9.1046 -8.8043 -8.8043 -8.7883 -8.7883 -1.2918 -1.2918 -1.2896 -1.2896 1.9455 1.9455 1.9604 1.9604 3.0545 3.0545 3.3374 3.3374 3.7924 3.7924 3.9943 3.9943 4.3510 4.3510 4.4793 4.4793 5.2735 5.2735 5.3330 5.3330 6.2703 6.2703 6.3999 6.3999 6.6101 6.6101 6.6586 6.6586 6.8672 6.8672 6.8931 6.8931 7.4588 7.4588 7.5198 7.5198 11.4072 11.4072 11.7374 11.7374 13.5594 13.5594 13.8652 13.8652 14.8473 14.8473 k = 0.5000-0.1854-0.3626 ( 4130 PWs) bands (ev): -10.3798 -10.3798 -10.3507 -10.3507 -9.1467 -9.1467 -9.1255 -9.1255 -8.7971 -8.7971 -8.7811 -8.7811 -1.2950 -1.2950 -1.2926 -1.2926 1.9613 1.9613 1.9775 1.9775 3.0603 3.0603 3.3465 3.3465 3.8144 3.8144 4.0156 4.0156 4.3335 4.3335 4.4718 4.4718 5.2986 5.2986 5.3616 5.3616 6.2299 6.2299 6.3575 6.3575 6.5929 6.5929 6.6372 6.6372 6.8687 6.8687 6.8965 6.8965 7.4586 7.4586 7.5219 7.5219 11.4087 11.4087 11.7483 11.7483 13.5271 13.5271 13.8470 13.8470 14.8284 14.8284 k = 0.5000-0.1755-0.3767 ( 4132 PWs) bands (ev): -10.3691 -10.3691 -10.3399 -10.3399 -9.1683 -9.1683 -9.1470 -9.1470 -8.7902 -8.7902 -8.7744 -8.7744 -1.2985 -1.2985 -1.2959 -1.2959 1.9785 1.9785 1.9961 1.9961 3.0682 3.0682 3.3562 3.3562 3.8337 3.8337 4.0297 4.0297 4.3231 4.3231 4.4694 4.4694 5.3237 5.3237 5.3906 5.3906 6.1860 6.1860 6.3106 6.3106 6.5754 6.5754 6.6146 6.6146 6.8712 6.8712 6.9003 6.9003 7.4585 7.4585 7.5242 7.5242 11.4101 11.4101 11.7585 11.7585 13.4961 13.4961 13.8278 13.8278 14.8088 14.8088 k = 0.5000-0.1655-0.3908 ( 4134 PWs) bands (ev): -10.3578 -10.3578 -10.3285 -10.3285 -9.1903 -9.1903 -9.1688 -9.1688 -8.7837 -8.7837 -8.7681 -8.7680 -1.3023 -1.3023 -1.2996 -1.2996 1.9971 1.9971 2.0160 2.0160 3.0784 3.0784 3.3664 3.3664 3.8493 3.8493 4.0354 4.0354 4.3212 4.3212 4.4728 4.4728 5.3486 5.3486 5.4197 5.4197 6.1392 6.1392 6.2599 6.2599 6.5577 6.5577 6.5916 6.5916 6.8744 6.8744 6.9040 6.9040 7.4589 7.4589 7.5266 7.5266 11.4114 11.4114 11.7676 11.7676 13.4668 13.4668 13.8083 13.8083 14.7883 14.7883 k = 0.5000-0.1556-0.4049 ( 4134 PWs) bands (ev): -10.3459 -10.3459 -10.3166 -10.3166 -9.2124 -9.2124 -9.1908 -9.1908 -8.7776 -8.7776 -8.7621 -8.7621 -1.3064 -1.3064 -1.3034 -1.3034 2.0169 2.0169 2.0371 2.0371 3.0907 3.0907 3.3771 3.3771 3.8602 3.8602 4.0336 4.0336 4.3276 4.3276 4.4821 4.4821 5.3729 5.3729 5.4489 5.4489 6.0900 6.0900 6.2062 6.2062 6.5397 6.5397 6.5684 6.5684 6.8780 6.8780 6.9072 6.9072 7.4598 7.4598 7.5295 7.5295 11.4123 11.4123 11.7755 11.7755 13.4398 13.4398 13.7890 13.7890 14.7666 14.7666 k = 0.5000-0.1457-0.4190 ( 4132 PWs) bands (ev): -10.3336 -10.3336 -10.3042 -10.3042 -9.2346 -9.2346 -9.2130 -9.2129 -8.7718 -8.7718 -8.7565 -8.7565 -1.3107 -1.3107 -1.3076 -1.3076 2.0376 2.0376 2.0592 2.0592 3.1048 3.1048 3.3879 3.3879 3.8664 3.8664 4.0265 4.0265 4.3410 4.3410 4.4966 4.4966 5.3961 5.3961 5.4780 5.4780 6.0395 6.0395 6.1504 6.1504 6.5212 6.5212 6.5453 6.5453 6.8814 6.8814 6.9095 6.9095 7.4615 7.4615 7.5328 7.5328 11.4129 11.4129 11.7818 11.7818 13.4156 13.4156 13.7704 13.7704 14.7435 14.7435 k = 0.5000-0.1357-0.4331 ( 4130 PWs) bands (ev): -10.3210 -10.3210 -10.2916 -10.2916 -9.2566 -9.2566 -9.2350 -9.2350 -8.7664 -8.7664 -8.7513 -8.7513 -1.3152 -1.3152 -1.3119 -1.3119 2.0592 2.0592 2.0820 2.0820 3.1205 3.1205 3.3985 3.3985 3.8680 3.8680 4.0173 4.0173 4.3593 4.3593 4.5151 4.5151 5.4177 5.4177 5.5065 5.5065 5.9889 5.9889 6.0932 6.0932 6.5022 6.5022 6.5227 6.5227 6.8843 6.8843 6.9106 6.9106 7.4642 7.4642 7.5368 7.5368 11.4131 11.4131 11.7864 11.7864 13.3945 13.3945 13.7529 13.7529 14.7188 14.7188 k = 0.5000-0.1258-0.4472 ( 4132 PWs) bands (ev): -10.3081 -10.3081 -10.2788 -10.2788 -9.2783 -9.2783 -9.2568 -9.2567 -8.7614 -8.7614 -8.7465 -8.7464 -1.3199 -1.3199 -1.3165 -1.3165 2.0812 2.0812 2.1053 2.1053 3.1376 3.1376 3.4085 3.4085 3.8660 3.8660 4.0083 4.0083 4.3808 4.3808 4.5362 4.5363 5.4365 5.4365 5.5340 5.5340 5.9396 5.9396 6.0358 6.0358 6.4826 6.4826 6.5007 6.5007 6.8863 6.8863 6.9102 6.9102 7.4679 7.4679 7.5416 7.5416 11.4130 11.4130 11.7891 11.7891 13.3768 13.3768 13.7369 13.7370 14.6924 14.6924 k = 0.5000-0.1159-0.4613 ( 4130 PWs) bands (ev): -10.2953 -10.2953 -10.2661 -10.2661 -9.2994 -9.2994 -9.2781 -9.2781 -8.7567 -8.7567 -8.7420 -8.7420 -1.3248 -1.3248 -1.3211 -1.3211 2.1035 2.1035 2.1288 2.1288 3.1557 3.1557 3.4174 3.4174 3.8616 3.8616 4.0018 4.0018 4.4038 4.4038 4.5585 4.5585 5.4511 5.4511 5.5597 5.5597 5.8941 5.8941 5.9796 5.9796 6.4621 6.4621 6.4795 6.4795 6.8871 6.8871 6.9083 6.9083 7.4729 7.4729 7.5473 7.5473 11.4126 11.4126 11.7898 11.7898 13.3628 13.3628 13.7227 13.7227 14.6642 14.6642 k = 0.5000-0.1060-0.4754 ( 4136 PWs) bands (ev): -10.2825 -10.2825 -10.2535 -10.2535 -9.3199 -9.3199 -9.2988 -9.2987 -8.7523 -8.7523 -8.7378 -8.7378 -1.3297 -1.3297 -1.3259 -1.3259 2.1256 2.1256 2.1522 2.1522 3.1745 3.1745 3.4248 3.4248 3.8564 3.8564 3.9990 3.9990 4.4271 4.4271 4.5804 4.5804 5.4592 5.4592 5.5817 5.5817 5.8551 5.8551 5.9266 5.9266 6.4411 6.4411 6.4590 6.4590 6.8862 6.8862 6.9047 6.9047 7.4793 7.4793 7.5539 7.5539 11.4119 11.4119 11.7887 11.7887 13.3526 13.3526 13.7102 13.7102 14.6343 14.6343 k = 0.5000-0.0960-0.4895 ( 4142 PWs) bands (ev): -10.2700 -10.2700 -10.2413 -10.2413 -9.3393 -9.3393 -9.3186 -9.3185 -8.7483 -8.7483 -8.7340 -8.7340 -1.3348 -1.3348 -1.3308 -1.3308 2.1472 2.1472 2.1750 2.1750 3.1936 3.1936 3.4304 3.4304 3.8519 3.8519 4.0007 4.0007 4.4497 4.4497 4.6010 4.6010 5.4582 5.4582 5.5973 5.5973 5.8263 5.8263 5.8800 5.8800 6.4198 6.4198 6.4390 6.4390 6.8831 6.8831 6.8996 6.8996 7.4870 7.4870 7.5616 7.5616 11.4112 11.4112 11.7860 11.7860 13.3460 13.3460 13.6996 13.6996 14.6027 14.6027 k = 0.5000-0.0861-0.5036 ( 4136 PWs) bands (ev): -10.2581 -10.2581 -10.2297 -10.2297 -9.3576 -9.3576 -9.3373 -9.3372 -8.7446 -8.7446 -8.7305 -8.7305 -1.3397 -1.3397 -1.3356 -1.3356 2.1679 2.1679 2.1969 2.1969 3.2126 3.2126 3.4342 3.4342 3.8493 3.8493 4.0073 4.0073 4.4705 4.4705 4.6193 4.6193 5.4463 5.4463 5.6017 5.6017 5.8102 5.8102 5.8450 5.8450 6.3984 6.3984 6.4195 6.4195 6.8772 6.8772 6.8934 6.8934 7.4962 7.4962 7.5704 7.5704 11.4106 11.4106 11.7819 11.7819 13.3429 13.3429 13.6908 13.6908 14.5696 14.5696 k = 0.5000-0.0762-0.5177 ( 4134 PWs) bands (ev): -10.2468 -10.2468 -10.2189 -10.2189 -9.3743 -9.3743 -9.3546 -9.3546 -8.7413 -8.7413 -8.7274 -8.7274 -1.3447 -1.3447 -1.3404 -1.3404 2.1872 2.1872 2.2175 2.2175 3.2313 3.2313 3.4363 3.4363 3.8499 3.8499 4.0186 4.0186 4.4889 4.4889 4.6344 4.6344 5.4237 5.4237 5.5906 5.5906 5.8060 5.8060 5.8277 5.8277 6.3775 6.3775 6.4004 6.4004 6.8682 6.8682 6.8862 6.8862 7.5068 7.5068 7.5802 7.5802 11.4104 11.4104 11.7768 11.7768 13.3430 13.3430 13.6835 13.6835 14.5354 14.5354 k = 0.5000-0.0662-0.5318 ( 4134 PWs) bands (ev): -10.2365 -10.2365 -10.2092 -10.2092 -9.3894 -9.3894 -9.3704 -9.3703 -8.7383 -8.7382 -8.7246 -8.7246 -1.3496 -1.3496 -1.3452 -1.3452 2.2046 2.2046 2.2363 2.2363 3.2494 3.2494 3.4371 3.4371 3.8543 3.8543 4.0345 4.0345 4.5041 4.5041 4.6456 4.6456 5.3932 5.3932 5.5646 5.5646 5.8095 5.8095 5.8298 5.8298 6.3571 6.3571 6.3817 6.3817 6.8562 6.8562 6.8778 6.8778 7.5187 7.5187 7.5910 7.5910 11.4106 11.4106 11.7711 11.7711 13.3457 13.3457 13.6775 13.6775 14.5005 14.5005 k = 0.5000-0.0563-0.5459 ( 4138 PWs) bands (ev): -10.2273 -10.2273 -10.2008 -10.2008 -9.4024 -9.4024 -9.3842 -9.3842 -8.7355 -8.7355 -8.7221 -8.7221 -1.3544 -1.3544 -1.3498 -1.3498 2.2199 2.2199 2.2531 2.2531 3.2669 3.2669 3.4373 3.4373 3.8628 3.8628 4.0541 4.0541 4.5155 4.5155 4.6524 4.6524 5.3589 5.3589 5.5295 5.5295 5.8194 5.8194 5.8443 5.8443 6.3378 6.3378 6.3637 6.3637 6.8415 6.8415 6.8679 6.8679 7.5317 7.5317 7.6027 7.6027 11.4116 11.4116 11.7652 11.7652 13.3506 13.3506 13.6724 13.6724 14.4656 14.4656 k = 0.5000-0.0464-0.5599 ( 4136 PWs) bands (ev): -10.2195 -10.2195 -10.1939 -10.1939 -9.4131 -9.4131 -9.3960 -9.3960 -8.7332 -8.7331 -8.7200 -8.7200 -1.3589 -1.3589 -1.3543 -1.3543 2.2325 2.2325 2.2674 2.2674 3.2837 3.2837 3.4377 3.4377 3.8754 3.8754 4.0767 4.0767 4.5226 4.5226 4.6542 4.6542 5.3243 5.3243 5.4915 5.4915 5.8344 5.8344 5.8637 5.8637 6.3198 6.3198 6.3467 6.3467 6.8244 6.8244 6.8563 6.8563 7.5458 7.5458 7.6152 7.6152 11.4136 11.4136 11.7596 11.7596 13.3569 13.3569 13.6678 13.6678 14.4314 14.4314 k = 0.5000-0.0364-0.5740 ( 4146 PWs) bands (ev): -10.2133 -10.2133 -10.1888 -10.1888 -9.4214 -9.4214 -9.4054 -9.4054 -8.7311 -8.7311 -8.7181 -8.7181 -1.3634 -1.3634 -1.3587 -1.3587 2.2421 2.2421 2.2790 2.2790 3.2999 3.2999 3.4391 3.4391 3.8916 3.8916 4.1013 4.1013 4.5250 4.5250 4.6507 4.6507 5.2925 5.2925 5.4544 5.4544 5.8519 5.8519 5.8842 5.8842 6.3037 6.3037 6.3310 6.3310 6.8054 6.8054 6.8429 6.8429 7.5607 7.5607 7.6282 7.6282 11.4167 11.4167 11.7546 11.7546 13.3639 13.3639 13.6632 13.6632 14.3990 14.3990 k = 0.5000-0.0265-0.5881 ( 4148 PWs) bands (ev): -10.2089 -10.2089 -10.1856 -10.1856 -9.4269 -9.4269 -9.4123 -9.4122 -8.7293 -8.7293 -8.7166 -8.7166 -1.3676 -1.3676 -1.3628 -1.3628 2.2487 2.2487 2.2876 2.2876 3.3158 3.3158 3.4421 3.4421 3.9107 3.9107 4.1266 4.1266 4.5223 4.5223 4.6417 4.6417 5.2659 5.2659 5.4211 5.4211 5.8699 5.8699 5.9036 5.9036 6.2900 6.2900 6.3174 6.3174 6.7846 6.7846 6.8277 6.8277 7.5763 7.5763 7.6418 7.6418 11.4211 11.4211 11.7506 11.7506 13.3709 13.3709 13.6581 13.6581 14.3693 14.3693 k = 0.5000-0.0166-0.6022 ( 4148 PWs) bands (ev): -10.2064 -10.2064 -10.1844 -10.1844 -9.4297 -9.4297 -9.4164 -9.4164 -8.7279 -8.7279 -8.7155 -8.7155 -1.3715 -1.3715 -1.3667 -1.3667 2.2520 2.2520 2.2932 2.2932 3.3314 3.3314 3.4472 3.4472 3.9318 3.9318 4.1515 4.1515 4.5146 4.5146 4.6275 4.6275 5.2462 5.2462 5.3931 5.3932 5.8865 5.8865 5.9202 5.9202 6.2791 6.2791 6.3068 6.3068 6.7624 6.7624 6.8107 6.8107 7.5923 7.5923 7.6557 7.6557 11.4270 11.4270 11.7480 11.7480 13.3771 13.3771 13.6519 13.6519 14.3434 14.3434 k = 0.5000-0.0067-0.6163 ( 4150 PWs) bands (ev): -10.2059 -10.2059 -10.1854 -10.1854 -9.4295 -9.4295 -9.4177 -9.4177 -8.7268 -8.7268 -8.7147 -8.7146 -1.3752 -1.3752 -1.3703 -1.3703 2.2521 2.2521 2.2956 2.2956 3.3469 3.3469 3.4549 3.4549 3.9537 3.9537 4.1747 4.1747 4.5023 4.5023 4.6086 4.6086 5.2346 5.2346 5.3717 5.3717 5.9003 5.9003 5.9328 5.9328 6.2715 6.2715 6.3000 6.3000 6.7390 6.7390 6.7922 6.7922 7.6086 7.6086 7.6698 7.6698 11.4342 11.4342 11.7469 11.7469 13.3819 13.3819 13.6444 13.6444 14.3222 14.3222 k = 0.7519 0.1373-0.2138 ( 4150 PWs) bands (ev): -10.2059 -10.2059 -10.1854 -10.1854 -9.4295 -9.4295 -9.4177 -9.4177 -8.7268 -8.7268 -8.7147 -8.7146 -1.3752 -1.3752 -1.3703 -1.3703 2.2521 2.2521 2.2956 2.2956 3.3469 3.3469 3.4548 3.4549 3.9537 3.9537 4.1747 4.1747 4.5023 4.5023 4.6086 4.6086 5.2346 5.2346 5.3717 5.3717 5.9003 5.9003 5.9328 5.9328 6.2715 6.2715 6.3000 6.3000 6.7390 6.7390 6.7922 6.7922 7.6086 7.6086 7.6698 7.6698 11.4342 11.4342 11.7469 11.7469 13.3819 13.3819 13.6444 13.6444 14.3222 14.3222 k = 0.7435 0.1422-0.2000 ( 4150 PWs) bands (ev): -10.2075 -10.2075 -10.1884 -10.1884 -9.4265 -9.4265 -9.4161 -9.4161 -8.7260 -8.7260 -8.7142 -8.7142 -1.3786 -1.3786 -1.3737 -1.3737 2.2493 2.2493 2.2951 2.2951 3.3619 3.3619 3.4649 3.4649 3.9748 3.9748 4.1943 4.1943 4.4864 4.4864 4.5863 4.5863 5.2317 5.2317 5.3576 5.3576 5.9096 5.9096 5.9405 5.9405 6.2673 6.2673 6.2980 6.2980 6.7153 6.7153 6.7728 6.7728 7.6246 7.6246 7.6836 7.6836 11.4426 11.4426 11.7473 11.7473 13.3847 13.3847 13.6355 13.6355 14.3067 14.3067 k = 0.7351 0.1472-0.1861 ( 4142 PWs) bands (ev): -10.2109 -10.2109 -10.1934 -10.1934 -9.4208 -9.4208 -9.4119 -9.4118 -8.7256 -8.7256 -8.7140 -8.7140 -1.3817 -1.3817 -1.3768 -1.3768 2.2438 2.2438 2.2917 2.2917 3.3767 3.3767 3.4773 3.4773 3.9943 3.9943 4.2096 4.2096 4.4683 4.4683 4.5614 4.5614 5.2373 5.2373 5.3509 5.3509 5.9138 5.9138 5.9435 5.9435 6.2664 6.2665 6.3008 6.3008 6.6912 6.6912 6.7523 6.7523 7.6406 7.6406 7.6974 7.6974 11.4523 11.4523 11.7493 11.7493 13.3852 13.3852 13.6251 13.6252 14.2970 14.2970 k = 0.7267 0.1521-0.1723 ( 4142 PWs) bands (ev): -10.2163 -10.2163 -10.2003 -10.2003 -9.4126 -9.4126 -9.4049 -9.4049 -8.7255 -8.7255 -8.7142 -8.7142 -1.3846 -1.3846 -1.3796 -1.3796 2.2359 2.2359 2.2859 2.2859 3.3911 3.3911 3.4917 3.4917 4.0109 4.0109 4.2192 4.2192 4.4498 4.4498 4.5352 4.5352 5.2510 5.2510 5.3515 5.3515 5.9127 5.9127 5.9420 5.9420 6.2688 6.2688 6.3081 6.3081 6.6671 6.6671 6.7313 6.7313 7.6562 7.6562 7.7108 7.7108 11.4629 11.4629 11.7527 11.7527 13.3832 13.3832 13.6136 13.6136 14.2931 14.2931 k = 0.7183 0.1571-0.1585 ( 4146 PWs) bands (ev): -10.2233 -10.2233 -10.2088 -10.2088 -9.4020 -9.4020 -9.3954 -9.3954 -8.7257 -8.7257 -8.7147 -8.7147 -1.3873 -1.3873 -1.3823 -1.3823 2.2260 2.2260 2.2779 2.2779 3.4049 3.4049 3.5075 3.5075 4.0234 4.0234 4.2220 4.2220 4.4328 4.4328 4.5090 4.5090 5.2721 5.2721 5.3594 5.3594 5.9065 5.9065 5.9365 5.9365 6.2739 6.2739 6.3185 6.3185 6.6437 6.6437 6.7100 6.7100 7.6714 7.6714 7.7239 7.7239 11.4743 11.4744 11.7574 11.7574 13.3788 13.3788 13.6013 13.6013 14.2950 14.2950 k = 0.7099 0.1620-0.1446 ( 4146 PWs) bands (ev): -10.2319 -10.2319 -10.2188 -10.2188 -9.3892 -9.3892 -9.3834 -9.3834 -8.7262 -8.7262 -8.7156 -8.7156 -1.3897 -1.3897 -1.3848 -1.3848 2.2145 2.2145 2.2681 2.2681 3.4178 3.4178 3.5240 3.5240 4.0307 4.0307 4.2174 4.2174 4.4188 4.4188 4.4843 4.4843 5.2995 5.2995 5.3745 5.3745 5.8963 5.8963 5.9276 5.9277 6.2809 6.2809 6.3308 6.3308 6.6216 6.6216 6.6892 6.6892 7.6861 7.6861 7.7365 7.7365 11.4862 11.4862 11.7629 11.7629 13.3721 13.3721 13.5890 13.5891 14.3023 14.3023 k = 0.7015 0.1670-0.1308 ( 4144 PWs) bands (ev): -10.2419 -10.2419 -10.2300 -10.2300 -9.3746 -9.3746 -9.3693 -9.3693 -8.7271 -8.7271 -8.7168 -8.7168 -1.3919 -1.3919 -1.3870 -1.3870 2.2019 2.2019 2.2569 2.2569 3.4294 3.4294 3.5402 3.5402 4.0320 4.0320 4.2061 4.2061 4.4083 4.4083 4.4627 4.4627 5.3315 5.3315 5.3964 5.3964 5.8833 5.8833 5.9165 5.9165 6.2886 6.2886 6.3433 6.3433 6.6015 6.6015 6.6696 6.6696 7.7000 7.7000 7.7484 7.7484 11.4981 11.4981 11.7688 11.7688 13.3639 13.3639 13.5774 13.5774 14.3143 14.3143 k = 0.6931 0.1719-0.1169 ( 4140 PWs) bands (ev): -10.2529 -10.2529 -10.2423 -10.2423 -9.3584 -9.3584 -9.3532 -9.3532 -8.7284 -8.7283 -8.7184 -8.7184 -1.3940 -1.3940 -1.3891 -1.3891 2.1884 2.1884 2.2446 2.2446 3.4394 3.4394 3.5552 3.5552 4.0271 4.0271 4.1893 4.1893 4.4007 4.4007 4.4459 4.4459 5.3662 5.3662 5.4248 5.4248 5.8688 5.8688 5.9041 5.9041 6.2955 6.2955 6.3543 6.3543 6.5846 6.5846 6.6522 6.6522 7.7131 7.7131 7.7597 7.7597 11.5097 11.5097 11.7748 11.7748 13.3549 13.3549 13.5670 13.5670 14.3304 14.3304 k = 0.6847 0.1769-0.1031 ( 4134 PWs) bands (ev): -10.2649 -10.2649 -10.2554 -10.2554 -9.3407 -9.3407 -9.3354 -9.3354 -8.7300 -8.7299 -8.7203 -8.7203 -1.3958 -1.3958 -1.3910 -1.3910 2.1746 2.1746 2.2316 2.2316 3.4473 3.4473 3.5679 3.5679 4.0165 4.0165 4.1683 4.1683 4.3953 4.3953 4.4350 4.4350 5.4011 5.4012 5.4587 5.4587 5.8543 5.8544 5.8920 5.8920 6.3005 6.3005 6.3623 6.3623 6.5719 6.5719 6.6380 6.6380 7.7252 7.7252 7.7701 7.7701 11.5205 11.5205 11.7803 11.7803 13.3459 13.3459 13.5583 13.5584 14.3498 14.3498 k = 0.6763 0.1818-0.0893 ( 4138 PWs) bands (ev): -10.2776 -10.2776 -10.2690 -10.2690 -9.3218 -9.3218 -9.3162 -9.3161 -8.7319 -8.7319 -8.7227 -8.7227 -1.3976 -1.3976 -1.3929 -1.3929 2.1607 2.1607 2.2183 2.2183 3.4528 3.4528 3.5775 3.5775 4.0012 4.0012 4.1441 4.1441 4.3922 4.3922 4.4303 4.4303 5.4343 5.4343 5.4957 5.4958 5.8416 5.8416 5.8819 5.8819 6.3027 6.3027 6.3656 6.3656 6.5646 6.5646 6.6279 6.6279 7.7363 7.7363 7.7795 7.7795 11.5303 11.5303 11.7847 11.7847 13.3380 13.3380 13.5519 13.5519 14.3717 14.3717 k = 0.6679 0.1868-0.0754 ( 4132 PWs) bands (ev): -10.2908 -10.2908 -10.2831 -10.2831 -9.3018 -9.3018 -9.2958 -9.2958 -8.7343 -8.7343 -8.7254 -8.7254 -1.3992 -1.3992 -1.3946 -1.3946 2.1472 2.1472 2.2051 2.2051 3.4557 3.4557 3.5830 3.5830 3.9826 3.9826 4.1171 4.1171 4.3920 4.3920 4.4311 4.4311 5.4638 5.4638 5.5320 5.5321 5.8332 5.8332 5.8762 5.8762 6.3017 6.3017 6.3634 6.3634 6.5632 6.5632 6.6225 6.6225 7.7463 7.7463 7.7879 7.7879 11.5386 11.5386 11.7875 11.7875 13.3320 13.3320 13.5480 13.5480 14.3956 14.3956 k = 0.6595 0.1917-0.0616 ( 4132 PWs) bands (ev): -10.3043 -10.3043 -10.2974 -10.2974 -9.2809 -9.2809 -9.2745 -9.2745 -8.7371 -8.7371 -8.7286 -8.7285 -1.4008 -1.4008 -1.3963 -1.3963 2.1342 2.1342 2.1921 2.1921 3.4558 3.4558 3.5839 3.5839 3.9619 3.9619 4.0879 4.0879 4.3956 4.3956 4.4370 4.4370 5.4873 5.4873 5.5621 5.5621 5.8326 5.8326 5.8772 5.8772 6.2981 6.2981 6.3558 6.3559 6.5672 6.5672 6.6220 6.6220 7.7551 7.7551 7.7951 7.7951 11.5452 11.5452 11.7881 11.7881 13.3290 13.3290 13.5467 13.5467 14.4207 14.4207 k = 0.6511 0.1967-0.0478 ( 4130 PWs) bands (ev): -10.3180 -10.3180 -10.3117 -10.3116 -9.2593 -9.2593 -9.2526 -9.2526 -8.7403 -8.7402 -8.7321 -8.7321 -1.4023 -1.4023 -1.3979 -1.3979 2.1222 2.1222 2.1798 2.1798 3.4530 3.4531 3.5799 3.5799 3.9400 3.9400 4.0567 4.0567 4.4035 4.4035 4.4473 4.4473 5.5027 5.5027 5.5804 5.5804 5.8431 5.8431 5.8876 5.8876 6.2930 6.2930 6.3445 6.3445 6.5757 6.5757 6.6257 6.6257 7.7626 7.7626 7.8011 7.8011 11.5499 11.5499 11.7863 11.7863 13.3294 13.3294 13.5482 13.5482 14.4465 14.4465 k = 0.6427 0.2016-0.0339 ( 4128 PWs) bands (ev): -10.3316 -10.3316 -10.3258 -10.3258 -9.2372 -9.2372 -9.2302 -9.2302 -8.7439 -8.7439 -8.7361 -8.7361 -1.4037 -1.4037 -1.3995 -1.3995 2.1111 2.1112 2.1682 2.1682 3.4477 3.4477 3.5711 3.5711 3.9172 3.9172 4.0240 4.0240 4.4158 4.4159 4.4619 4.4619 5.5088 5.5088 5.5845 5.5845 5.8641 5.8641 5.9089 5.9089 6.2880 6.2880 6.3314 6.3314 6.5871 6.5871 6.6326 6.6326 7.7687 7.7687 7.8058 7.8058 11.5525 11.5525 11.7815 11.7815 13.3338 13.3338 13.5525 13.5525 14.4725 14.4725 k = 0.6343 0.2066-0.0201 ( 4134 PWs) bands (ev): -10.3450 -10.3450 -10.3398 -10.3398 -9.2147 -9.2147 -9.2075 -9.2074 -8.7479 -8.7479 -8.7406 -8.7405 -1.4052 -1.4052 -1.4011 -1.4011 2.1014 2.1014 2.1575 2.1575 3.4400 3.4400 3.5583 3.5583 3.8935 3.8935 3.9900 3.9900 4.4327 4.4327 4.4806 4.4806 5.5059 5.5059 5.5763 5.5763 5.8908 5.8908 5.9403 5.9403 6.2847 6.2847 6.3196 6.3196 6.6005 6.6005 6.6419 6.6419 7.7734 7.7734 7.8090 7.8090 11.5530 11.5530 11.7739 11.7739 13.3425 13.3425 13.5595 13.5595 14.4982 14.4982 k = 0.6260 0.2115-0.0063 ( 4128 PWs) bands (ev): -10.3581 -10.3581 -10.3534 -10.3534 -9.1920 -9.1920 -9.1846 -9.1846 -8.7525 -8.7524 -8.7455 -8.7455 -1.4066 -1.4066 -1.4027 -1.4027 2.0930 2.0930 2.1480 2.1480 3.4304 3.4304 3.5420 3.5420 3.8690 3.8690 3.9552 3.9552 4.4539 4.4539 4.5029 4.5029 5.4953 5.4953 5.5595 5.5595 5.9178 5.9178 5.9776 5.9776 6.2842 6.2842 6.3131 6.3131 6.6148 6.6148 6.6527 6.6527 7.7766 7.7766 7.8108 7.8108 11.5516 11.5516 11.7632 11.7632 13.3553 13.3553 13.5690 13.5690 14.5233 14.5233 k = 0.6176 0.2165 0.0076 ( 4124 PWs) bands (ev): -10.3709 -10.3709 -10.3665 -10.3665 -9.1692 -9.1692 -9.1617 -9.1617 -8.7575 -8.7575 -8.7509 -8.7508 -1.4080 -1.4080 -1.4043 -1.4043 2.0861 2.0861 2.1395 2.1395 3.4192 3.4192 3.5234 3.5234 3.8435 3.8435 3.9199 3.9199 4.4792 4.4792 4.5285 4.5285 5.4790 5.4790 5.5372 5.5372 5.9412 5.9412 6.0140 6.0140 6.2871 6.2871 6.3173 6.3173 6.6296 6.6296 6.6642 6.6642 7.7783 7.7783 7.8110 7.8110 11.5484 11.5484 11.7498 11.7498 13.3721 13.3721 13.5808 13.5808 14.5474 14.5474 k = 0.6092 0.2214 0.0214 ( 4126 PWs) bands (ev): -10.3831 -10.3831 -10.3791 -10.3791 -9.1465 -9.1465 -9.1389 -9.1389 -8.7630 -8.7630 -8.7567 -8.7567 -1.4094 -1.4094 -1.4059 -1.4059 2.0807 2.0807 2.1323 2.1323 3.4069 3.4069 3.5031 3.5031 3.8173 3.8173 3.8843 3.8843 4.5082 4.5082 4.5570 4.5570 5.4584 5.4584 5.5112 5.5112 5.9587 5.9587 6.0424 6.0424 6.2975 6.2975 6.3341 6.3341 6.6444 6.6444 6.6759 6.6759 7.7785 7.7785 7.8096 7.8096 11.5436 11.5436 11.7339 11.7339 13.3925 13.3925 13.5943 13.5943 14.5703 14.5703 k = 0.6008 0.2264 0.0352 ( 4126 PWs) bands (ev): -10.3947 -10.3947 -10.3911 -10.3911 -9.1239 -9.1239 -9.1164 -9.1164 -8.7690 -8.7690 -8.7631 -8.7631 -1.4108 -1.4108 -1.4076 -1.4076 2.0768 2.0768 2.1263 2.1263 3.3939 3.3939 3.4819 3.4819 3.7906 3.7906 3.8489 3.8490 4.5403 4.5403 4.5880 4.5880 5.4348 5.4348 5.4826 5.4826 5.9693 5.9693 6.0580 6.0580 6.3206 6.3206 6.3618 6.3618 6.6588 6.6588 6.6876 6.6876 7.7773 7.7773 7.8066 7.8067 11.5376 11.5376 11.7159 11.7159 13.4161 13.4161 13.6093 13.6093 14.5917 14.5917 k = 0.5924 0.2313 0.0491 ( 4130 PWs) bands (ev): -10.4056 -10.4056 -10.4023 -10.4023 -9.1016 -9.1016 -9.0942 -9.0942 -8.7757 -8.7757 -8.7701 -8.7701 -1.4122 -1.4122 -1.4092 -1.4092 2.0744 2.0744 2.1214 2.1214 3.3807 3.3807 3.4606 3.4606 3.7637 3.7637 3.8141 3.8141 4.5751 4.5751 4.6209 4.6209 5.4089 5.4089 5.4520 5.4520 5.9736 5.9736 6.0608 6.0608 6.3560 6.3560 6.3976 6.3976 6.6727 6.6727 6.6988 6.6988 7.7745 7.7745 7.8022 7.8022 11.5307 11.5307 11.6963 11.6963 13.4420 13.4421 13.6251 13.6251 14.6114 14.6114 k = 0.5840 0.2363 0.0629 ( 4136 PWs) bands (ev): -10.4157 -10.4157 -10.4128 -10.4128 -9.0796 -9.0796 -9.0724 -9.0724 -8.7829 -8.7828 -8.7776 -8.7776 -1.4135 -1.4135 -1.4108 -1.4108 2.0734 2.0734 2.1175 2.1175 3.3677 3.3677 3.4395 3.4395 3.7370 3.7370 3.7803 3.7803 4.6121 4.6122 4.6556 4.6556 5.3813 5.3813 5.4199 5.4199 5.9732 5.9733 6.0548 6.0548 6.3997 6.3997 6.4387 6.4387 6.6860 6.6860 6.7095 6.7095 7.7704 7.7705 7.7962 7.7962 11.5233 11.5233 11.6756 11.6756 13.4698 13.4698 13.6413 13.6413 14.6293 14.6293 k = 0.5756 0.2412 0.0768 ( 4130 PWs) bands (ev): -10.4250 -10.4250 -10.4224 -10.4224 -9.0581 -9.0581 -9.0511 -9.0511 -8.7907 -8.7907 -8.7857 -8.7857 -1.4148 -1.4148 -1.4124 -1.4124 2.0737 2.0737 2.1146 2.1146 3.3552 3.3552 3.4192 3.4192 3.7111 3.7111 3.7478 3.7478 4.6509 4.6509 4.6915 4.6915 5.3523 5.3523 5.3866 5.3866 5.9698 5.9698 6.0438 6.0438 6.4473 6.4473 6.4825 6.4825 6.6985 6.6985 6.7196 6.7196 7.7652 7.7652 7.7890 7.7890 11.5159 11.5159 11.6542 11.6542 13.4987 13.4987 13.6572 13.6572 14.6453 14.6453 k = 0.5672 0.2461 0.0906 ( 4132 PWs) bands (ev): -10.4335 -10.4335 -10.4312 -10.4312 -9.0371 -9.0371 -9.0304 -9.0304 -8.7991 -8.7991 -8.7943 -8.7943 -1.4161 -1.4161 -1.4139 -1.4139 2.0750 2.0750 2.1124 2.1125 3.3434 3.3434 3.3999 3.3999 3.6864 3.6864 3.7173 3.7173 4.6910 4.6910 4.7284 4.7284 5.3222 5.3222 5.3521 5.3521 5.9648 5.9648 6.0304 6.0304 6.4956 6.4956 6.5267 6.5267 6.7103 6.7103 6.7289 6.7289 7.7590 7.7590 7.7807 7.7807 11.5088 11.5088 11.6327 11.6327 13.5280 13.5280 13.6723 13.6723 14.6592 14.6592 k = 0.5588 0.2511 0.1044 ( 4132 PWs) bands (ev): -10.4411 -10.4411 -10.4390 -10.4390 -9.0167 -9.0167 -9.0103 -9.0103 -8.8082 -8.8082 -8.8036 -8.8036 -1.4172 -1.4172 -1.4153 -1.4153 2.0773 2.0773 2.1109 2.1109 3.3327 3.3327 3.3818 3.3818 3.6634 3.6634 3.6891 3.6891 4.7320 4.7320 4.7659 4.7659 5.2912 5.2912 5.3167 5.3167 5.9591 5.9591 6.0163 6.0163 6.5423 6.5423 6.5692 6.5692 6.7212 6.7212 6.7376 6.7376 7.7520 7.7520 7.7715 7.7715 11.5025 11.5025 11.6116 11.6116 13.5570 13.5570 13.6860 13.6860 14.6711 14.6711 k = 0.5504 0.2560 0.1183 ( 4128 PWs) bands (ev): -10.4477 -10.4476 -10.4459 -10.4459 -8.9970 -8.9970 -8.9909 -8.9909 -8.8180 -8.8180 -8.8135 -8.8135 -1.4183 -1.4183 -1.4166 -1.4166 2.0803 2.0803 2.1098 2.1098 3.3234 3.3234 3.3652 3.3652 3.6424 3.6424 3.6637 3.6637 4.7736 4.7736 4.8037 4.8037 5.2594 5.2594 5.2804 5.2804 5.9536 5.9537 6.0024 6.0024 6.5856 6.5857 6.6086 6.6086 6.7315 6.7315 6.7457 6.7457 7.7448 7.7448 7.7619 7.7619 11.4973 11.4973 11.5913 11.5913 13.5851 13.5851 13.6978 13.6978 14.6808 14.6808 k = 0.5420 0.2610 0.1321 ( 4128 PWs) bands (ev): -10.4533 -10.4533 -10.4518 -10.4518 -8.9779 -8.9779 -8.9722 -8.9722 -8.8286 -8.8286 -8.8240 -8.8240 -1.4192 -1.4192 -1.4178 -1.4178 2.0838 2.0838 2.1088 2.1088 3.3156 3.3156 3.3503 3.3504 3.6240 3.6240 3.6415 3.6415 4.8153 4.8154 4.8415 4.8415 5.2269 5.2270 5.2435 5.2435 5.9489 5.9489 5.9894 5.9894 6.6243 6.6243 6.6431 6.6431 6.7410 6.7410 6.7535 6.7535 7.7376 7.7376 7.7522 7.7522 11.4935 11.4935 11.5722 11.5722 13.6116 13.6116 13.7071 13.7071 14.6877 14.6877 k = 0.5336 0.2659 0.1459 ( 4138 PWs) bands (ev): -10.4579 -10.4579 -10.4567 -10.4567 -8.9596 -8.9596 -8.9544 -8.9543 -8.8398 -8.8398 -8.8351 -8.8351 -1.4199 -1.4199 -1.4189 -1.4189 2.0875 2.0875 2.1079 2.1079 3.3096 3.3096 3.3373 3.3373 3.6084 3.6084 3.6228 3.6228 4.8569 4.8569 4.8789 4.8789 5.1941 5.1942 5.2062 5.2062 5.9453 5.9453 5.9775 5.9775 6.6569 6.6569 6.6714 6.6715 6.7499 6.7499 6.7613 6.7613 7.7310 7.7310 7.7429 7.7429 11.4914 11.4914 11.5546 11.5546 13.6360 13.6360 13.7134 13.7134 14.6917 14.6917 k = 0.5252 0.2709 0.1598 ( 4140 PWs) bands (ev): -10.4614 -10.4614 -10.4606 -10.4605 -8.9421 -8.9421 -8.9374 -8.9374 -8.8518 -8.8518 -8.8468 -8.8467 -1.4205 -1.4205 -1.4197 -1.4197 2.0913 2.0913 2.1068 2.1068 3.3054 3.3054 3.3262 3.3262 3.5959 3.5959 3.6079 3.6079 4.8977 4.8977 4.9152 4.9152 5.1614 5.1614 5.1691 5.1691 5.9431 5.9431 5.9672 5.9672 6.6823 6.6823 6.6927 6.6927 6.7580 6.7580 6.7693 6.7693 7.7256 7.7256 7.7346 7.7346 11.4913 11.4913 11.5389 11.5389 13.6579 13.6579 13.7165 13.7165 14.6938 14.6938 k = 0.5168 0.2758 0.1736 ( 4138 PWs) bands (ev): -10.4639 -10.4639 -10.4634 -10.4634 -8.9254 -8.9254 -8.9215 -8.9215 -8.8645 -8.8645 -8.8588 -8.8588 -1.4209 -1.4209 -1.4204 -1.4204 2.0949 2.0949 2.1053 2.1053 3.3034 3.3034 3.3172 3.3172 3.5868 3.5868 3.5971 3.5971 4.9364 4.9364 4.9491 4.9491 5.1298 5.1298 5.1334 5.1334 5.9426 5.9426 5.9586 5.9586 6.7001 6.7001 6.7066 6.7066 6.7651 6.7651 6.7768 6.7768 7.7217 7.7217 7.7278 7.7278 11.4934 11.4934 11.5252 11.5252 13.6766 13.6766 13.7161 13.7161 14.6950 14.6950 k = 0.5084 0.2808 0.1874 ( 4146 PWs) bands (ev): -10.4654 -10.4654 -10.4651 -10.4651 -8.9100 -8.9100 -8.9075 -8.9075 -8.8775 -8.8775 -8.8706 -8.8706 -1.4211 -1.4211 -1.4209 -1.4209 2.0982 2.0982 2.1034 2.1034 3.3034 3.3035 3.3104 3.3104 3.5813 3.5813 3.5905 3.5905 4.9698 4.9698 4.9768 4.9768 5.1010 5.1010 5.1043 5.1043 5.9438 5.9438 5.9518 5.9518 6.7107 6.7107 6.7138 6.7138 6.7702 6.7702 6.7822 6.7822 7.7198 7.7198 7.7228 7.7228 11.4978 11.4978 11.5137 11.5137 13.6921 13.6921 13.7119 13.7119 14.6956 14.6956 k = 0.5000 0.2857 0.2013 ( 4146 PWs) bands (ev): -10.4658 -10.4658 -10.4658 -10.4658 -8.8999 -8.8999 -8.8999 -8.8999 -8.8868 -8.8868 -8.8774 -8.8774 -1.4211 -1.4211 -1.4211 -1.4211 2.1010 2.1010 2.1011 2.1011 3.3058 3.3058 3.3058 3.3058 3.5795 3.5795 3.5883 3.5883 4.9873 4.9873 4.9873 4.9873 5.0866 5.0866 5.0918 5.0918 5.9469 5.9469 5.9469 5.9469 6.7150 6.7150 6.7150 6.7150 6.7721 6.7721 6.7843 6.7843 7.7201 7.7201 7.7201 7.7201 11.5046 11.5046 11.5046 11.5046 13.7038 13.7038 13.7038 13.7038 14.6958 14.6958 k = 0.5000 0.2857 0.2013 ( 4146 PWs) bands (ev): -10.4658 -10.4658 -10.4658 -10.4658 -8.8999 -8.8999 -8.8999 -8.8999 -8.8868 -8.8868 -8.8774 -8.8774 -1.4211 -1.4211 -1.4211 -1.4211 2.1010 2.1010 2.1011 2.1011 3.3058 3.3058 3.3058 3.3058 3.5795 3.5795 3.5883 3.5883 4.9873 4.9873 4.9873 4.9873 5.0866 5.0866 5.0918 5.0918 5.9469 5.9469 5.9469 5.9469 6.7150 6.7150 6.7150 6.7150 6.7721 6.7721 6.7843 6.7843 7.7201 7.7201 7.7201 7.7201 11.5046 11.5046 11.5046 11.5046 13.7038 13.7038 13.7038 13.7038 14.6958 14.6958 k = 0.4861 0.2778 0.1957 ( 4140 PWs) bands (ev): -10.5086 -10.5086 -10.4225 -10.4225 -8.9115 -8.9115 -8.8985 -8.8892 -8.8881 -8.8881 -8.8749 -8.8655 -1.4450 -1.4450 -1.3955 -1.3955 2.0276 2.0276 2.1736 2.1736 3.2616 3.2616 3.3452 3.3452 3.5402 3.5489 3.6134 3.6225 4.9526 4.9526 5.0276 5.0276 5.0538 5.0589 5.1255 5.1307 5.9020 5.9020 5.9873 5.9873 6.6998 6.6998 6.7308 6.7308 6.7576 6.7697 6.7870 6.7992 7.7071 7.7071 7.7298 7.7298 11.5036 11.5036 11.5146 11.5146 13.6911 13.6911 13.7199 13.7199 14.6794 14.6934 k = 0.4722 0.2699 0.1901 ( 4134 PWs) bands (ev): -10.5510 -10.5510 -10.3790 -10.3790 -8.9229 -8.9229 -8.9101 -8.9008 -8.8761 -8.8761 -8.8628 -8.8534 -1.4671 -1.4671 -1.3682 -1.3682 1.9535 1.9535 2.2450 2.2450 3.2136 3.2136 3.3788 3.3788 3.4967 3.5051 3.6410 3.6502 4.9245 4.9245 5.0282 5.0331 5.0725 5.0725 5.1695 5.1747 5.8530 5.8530 6.0233 6.0233 6.6852 6.6852 6.7435 6.7472 6.7472 6.7556 6.8025 6.8147 7.6908 7.6908 7.7363 7.7363 11.5116 11.5116 11.5338 11.5338 13.6818 13.6818 13.7392 13.7392 14.6641 14.6781 k = 0.4583 0.2619 0.1845 ( 4137 PWs) bands (ev): -10.5929 -10.5929 -10.3352 -10.3352 -8.9342 -8.9342 -8.9214 -8.9122 -8.8641 -8.8641 -8.8506 -8.8412 -1.4874 -1.4874 -1.3392 -1.3392 1.8791 1.8791 2.3147 2.3147 3.1626 3.1626 3.4057 3.4057 3.4497 3.4579 3.6612 3.6707 4.9041 4.9041 5.0106 5.0153 5.1210 5.1210 5.2174 5.2227 5.7998 5.7998 6.0549 6.0549 6.6712 6.6712 6.7298 6.7419 6.7642 6.7642 6.8184 6.8305 7.6712 7.6712 7.7398 7.7398 11.5281 11.5281 11.5618 11.5618 13.6763 13.6763 13.7614 13.7614 14.6502 14.6641 k = 0.4444 0.2540 0.1789 ( 4137 PWs) bands (ev): -10.6342 -10.6342 -10.2913 -10.2913 -8.9451 -8.9451 -8.9325 -8.9234 -8.8519 -8.8519 -8.8383 -8.8290 -1.5061 -1.5061 -1.3086 -1.3086 1.8046 1.8046 2.3824 2.3824 3.1095 3.1095 3.4001 3.4081 3.4251 3.4251 3.6735 3.6831 4.8921 4.8921 5.0019 5.0064 5.1722 5.1722 5.2686 5.2738 5.7427 5.7427 6.0822 6.0822 6.6577 6.6577 6.7166 6.7286 6.7818 6.7818 6.8348 6.8469 7.6487 7.6487 7.7408 7.7408 11.5526 11.5526 11.5984 11.5984 13.6747 13.6747 13.7865 13.7865 14.6375 14.6513 k = 0.4306 0.2460 0.1733 ( 4143 PWs) bands (ev): -10.6748 -10.6748 -10.2473 -10.2473 -8.9559 -8.9559 -8.9434 -8.9343 -8.8396 -8.8396 -8.8259 -8.8166 -1.5230 -1.5230 -1.2764 -1.2764 1.7303 1.7303 2.4476 2.4476 3.0550 3.0550 3.3488 3.3566 3.4364 3.4364 3.6773 3.6871 4.8890 4.8890 5.0024 5.0067 5.2251 5.2251 5.3220 5.3272 5.6821 5.6821 6.1053 6.1053 6.6449 6.6449 6.7037 6.7157 6.8000 6.8000 6.8517 6.8638 7.6235 7.6235 7.7396 7.7396 11.5842 11.5842 11.6431 11.6431 13.6774 13.6774 13.8143 13.8143 14.6261 14.6400 k = 0.4167 0.2381 0.1677 ( 4137 PWs) bands (ev): -10.7147 -10.7147 -10.2033 -10.2033 -8.9664 -8.9664 -8.9540 -8.9451 -8.8273 -8.8273 -8.8135 -8.8043 -1.5382 -1.5382 -1.2425 -1.2425 1.6565 1.6565 2.5098 2.5098 2.9998 2.9998 3.2962 3.3037 3.4395 3.4395 3.6726 3.6826 4.8952 4.8952 5.0122 5.0161 5.2789 5.2789 5.3771 5.3823 5.6185 5.6185 6.1244 6.1244 6.6326 6.6326 6.6914 6.7033 6.8188 6.8188 6.8693 6.8813 7.5962 7.5962 7.7368 7.7368 11.6221 11.6221 11.6951 11.6951 13.6847 13.6847 13.8448 13.8448 14.6161 14.6300 k = 0.4028 0.2302 0.1621 ( 4131 PWs) bands (ev): -10.7538 -10.7538 -10.1594 -10.1594 -8.9766 -8.9766 -8.9643 -8.9555 -8.8150 -8.8150 -8.8010 -8.7919 -1.5517 -1.5517 -1.2071 -1.2071 1.5832 1.5832 2.5683 2.5683 2.9448 2.9448 3.2429 3.2503 3.4345 3.4345 3.6600 3.6701 4.9104 4.9104 5.0307 5.0343 5.3316 5.3316 5.4333 5.4383 5.5534 5.5534 6.1400 6.1400 6.6209 6.6209 6.6795 6.6914 6.8383 6.8383 6.8874 6.8993 7.5670 7.5670 7.7328 7.7328 11.6653 11.6653 11.7538 11.7538 13.6968 13.6968 13.8779 13.8779 14.6074 14.6213 k = 0.3889 0.2222 0.1565 ( 4137 PWs) bands (ev): -10.7921 -10.7921 -10.1157 -10.1157 -8.9865 -8.9865 -8.9744 -8.9657 -8.8027 -8.8027 -8.7886 -8.7796 -1.5635 -1.5635 -1.1702 -1.1702 1.5108 1.5108 2.6218 2.6218 2.8911 2.8911 3.1894 3.1965 3.4220 3.4220 3.6400 3.6502 4.9341 4.9341 5.0573 5.0605 5.3772 5.3772 5.4899 5.4927 5.4927 5.4948 6.1524 6.1524 6.6097 6.6097 6.6681 6.6799 6.8585 6.8585 6.9062 6.9180 7.5364 7.5364 7.7283 7.7283 11.7126 11.7126 11.8183 11.8183 13.7142 13.7142 13.9134 13.9134 14.6002 14.6141 k = 0.3750 0.2143 0.1510 ( 4137 PWs) bands (ev): -10.8294 -10.8294 -10.0723 -10.0723 -8.9961 -8.9961 -8.9841 -8.9756 -8.7904 -8.7904 -8.7762 -8.7673 -1.5737 -1.5737 -1.1319 -1.1319 1.4395 1.4395 2.6674 2.6674 2.8415 2.8415 3.1360 3.1429 3.4027 3.4027 3.6137 3.6239 4.9653 4.9653 5.0908 5.0937 5.3753 5.3753 5.4765 5.4765 5.5465 5.5513 6.1622 6.1622 6.5992 6.5992 6.6572 6.6690 6.8794 6.8794 6.9256 6.9373 7.5048 7.5048 7.7235 7.7235 11.7629 11.7629 11.8879 11.8879 13.7369 13.7369 13.9515 13.9515 14.5943 14.6082 k = 0.3611 0.2064 0.1454 ( 4137 PWs) bands (ev): -10.8659 -10.8659 -10.0293 -10.0293 -9.0054 -9.0054 -8.9935 -8.9852 -8.7781 -8.7781 -8.7638 -8.7550 -1.5823 -1.5823 -1.0923 -1.0923 1.3693 1.3693 2.6947 2.6947 2.8064 2.8064 3.0831 3.0898 3.3776 3.3776 3.5821 3.5923 5.0029 5.0029 5.1302 5.1327 5.3140 5.3140 5.5170 5.5170 5.6026 5.6074 6.1700 6.1700 6.5892 6.5892 6.6469 6.6587 6.9010 6.9010 6.9458 6.9572 7.4727 7.4727 7.7190 7.7190 11.8152 11.8152 11.9617 11.9617 13.7654 13.7654 13.9920 13.9920 14.5898 14.6038 k = 0.3472 0.1984 0.1398 ( 4131 PWs) bands (ev): -10.9013 -10.9013 -9.9867 -9.9867 -9.0144 -9.0144 -9.0026 -8.9945 -8.7660 -8.7660 -8.7515 -8.7429 -1.5893 -1.5893 -1.0514 -1.0514 1.3005 1.3005 2.6818 2.6818 2.8074 2.8074 3.0310 3.0373 3.3479 3.3479 3.5462 3.5565 5.0451 5.0451 5.1743 5.1764 5.2409 5.2409 5.5670 5.5670 5.6579 5.6626 6.1763 6.1763 6.5800 6.5800 6.6373 6.6490 6.9234 6.9234 6.9666 6.9779 7.4404 7.4404 7.7149 7.7149 11.8683 11.8683 12.0389 12.0389 13.7998 13.7998 14.0349 14.0349 14.5866 14.6007 k = 0.3333 0.1905 0.1342 ( 4119 PWs) bands (ev): -10.9357 -10.9357 -9.9447 -9.9447 -9.0231 -9.0231 -9.0114 -9.0035 -8.7540 -8.7540 -8.7394 -8.7310 -1.5949 -1.5949 -1.0093 -1.0093 1.2332 1.2332 2.6408 2.6408 2.8323 2.8323 2.9798 2.9859 3.3146 3.3146 3.5071 3.5173 5.0867 5.0867 5.1693 5.1693 5.2220 5.2237 5.6176 5.6176 5.7120 5.7166 6.1819 6.1819 6.5714 6.5714 6.6284 6.6401 6.9464 6.9464 6.9882 6.9992 7.4082 7.4082 7.7116 7.7116 11.9211 11.9211 12.1186 12.1186 13.8402 13.8402 14.0803 14.0803 14.5848 14.5989 k = 0.3194 0.1825 0.1286 ( 4122 PWs) bands (ev): -10.9690 -10.9690 -9.9035 -9.9035 -9.0314 -9.0314 -9.0198 -9.0121 -8.7421 -8.7421 -8.7274 -8.7192 -1.5991 -1.5991 -0.9661 -0.9661 1.1676 1.1676 2.5927 2.5927 2.8596 2.8596 2.9298 2.9356 3.2787 3.2787 3.4657 3.4757 5.0685 5.0685 5.1590 5.1590 5.2724 5.2736 5.6669 5.6669 5.7645 5.7691 6.1874 6.1874 6.5636 6.5636 6.6203 6.6320 6.9701 6.9701 7.0104 7.0211 7.3765 7.3765 7.7089 7.7089 11.9729 11.9729 12.2000 12.2000 13.8866 13.8866 14.1280 14.1280 14.5844 14.5985 k = 0.3056 0.1746 0.1230 ( 4122 PWs) bands (ev): -11.0012 -11.0012 -9.8629 -9.8629 -9.0394 -9.0394 -9.0279 -9.0204 -8.7304 -8.7304 -8.7156 -8.7076 -1.6019 -1.6019 -0.9220 -0.9220 1.1039 1.1039 2.5435 2.5435 2.8812 2.8833 2.8833 2.8867 3.2414 3.2414 3.4226 3.4325 4.9931 4.9931 5.2073 5.2073 5.3245 5.3252 5.7142 5.7142 5.8152 5.8198 6.1935 6.1935 6.5568 6.5568 6.6132 6.6248 6.9945 6.9945 7.0333 7.0437 7.3454 7.3454 7.7071 7.7071 12.0227 12.0227 12.2822 12.2822 13.9386 13.9386 14.1780 14.1780 14.5852 14.5994 k = 0.2917 0.1667 0.1174 ( 4125 PWs) bands (ev): -11.0322 -11.0322 -9.8233 -9.8233 -9.0471 -9.0471 -9.0356 -9.0284 -8.7190 -8.7190 -8.7040 -8.6962 -1.6034 -1.6034 -0.8770 -0.8770 1.0420 1.0420 2.4947 2.4947 2.8341 2.8393 2.9014 2.9014 3.2036 3.2036 3.3785 3.3883 4.9128 4.9128 5.2618 5.2618 5.3776 5.3778 5.7591 5.7591 5.8638 5.8684 6.2008 6.2008 6.5510 6.5510 6.6071 6.6187 7.0194 7.0194 7.0568 7.0668 7.3152 7.3152 7.7062 7.7062 12.0700 12.0700 12.3646 12.3646 13.9960 13.9960 14.2302 14.2302 14.5873 14.6015 k = 0.2778 0.1587 0.1118 ( 4107 PWs) bands (ev): -11.0621 -11.0621 -9.7846 -9.7846 -9.0544 -9.0544 -9.0430 -9.0361 -8.7077 -8.7077 -8.6927 -8.6851 -1.6037 -1.6037 -0.8313 -0.8313 0.9823 0.9823 2.4472 2.4472 2.7886 2.7936 2.9128 2.9128 3.1664 3.1664 3.3341 3.3437 4.8317 4.8317 5.3180 5.3180 5.4306 5.4310 5.8013 5.8013 5.9101 5.9146 6.2096 6.2096 6.5465 6.5466 6.6023 6.6139 7.0448 7.0448 7.0809 7.0905 7.2861 7.2861 7.7059 7.7059 12.1144 12.1144 12.4465 12.4465 14.0579 14.0579 14.2845 14.2845 14.5906 14.6048 k = 0.2639 0.1508 0.1062 ( 4107 PWs) bands (ev): -11.0906 -11.0906 -9.7471 -9.7471 -9.0613 -9.0613 -9.0500 -9.0434 -8.6968 -8.6968 -8.6816 -8.6743 -1.6029 -1.6029 -0.7852 -0.7852 0.9248 0.9248 2.4011 2.4011 2.7449 2.7496 2.9167 2.9167 3.1308 3.1308 3.2897 3.2991 4.7509 4.7509 5.3747 5.3747 5.4831 5.4840 5.8405 5.8405 5.9537 5.9582 6.2204 6.2204 6.5435 6.5435 6.5988 6.6104 7.0703 7.0703 7.1054 7.1146 7.2583 7.2583 7.7063 7.7063 12.1555 12.1555 12.5270 12.5270 14.1236 14.1236 14.3405 14.3405 14.5950 14.6092 k = 0.2500 0.1429 0.1006 ( 4101 PWs) bands (ev): -11.1179 -11.1179 -9.7107 -9.7107 -9.0679 -9.0679 -9.0567 -9.0503 -8.6862 -8.6862 -8.6709 -8.6639 -1.6011 -1.6011 -0.7386 -0.7386 0.8695 0.8695 2.3567 2.3567 2.7031 2.7075 2.9126 2.9126 3.0978 3.0978 3.2458 3.2550 4.6710 4.6710 5.4310 5.4310 5.5347 5.5361 5.8765 5.8765 5.9944 5.9989 6.2334 6.2334 6.5422 6.5422 6.5970 6.6085 7.0957 7.0957 7.1303 7.1390 7.2322 7.2322 7.7071 7.7071 12.1932 12.1932 12.6057 12.6057 14.1917 14.1917 14.3976 14.3976 14.6004 14.6146 k = 0.2361 0.1349 0.0950 ( 4101 PWs) bands (ev): -11.1439 -11.1439 -9.6756 -9.6756 -9.0741 -9.0741 -9.0630 -9.0569 -8.6760 -8.6760 -8.6605 -8.6538 -1.5983 -1.5983 -0.6919 -0.6919 0.8167 0.8167 2.3143 2.3143 2.6632 2.6673 2.9005 2.9005 3.0682 3.0682 3.2027 3.2116 4.5924 4.5924 5.4863 5.4863 5.5850 5.5869 5.9094 5.9094 6.0320 6.0364 6.2484 6.2484 6.5428 6.5428 6.5969 6.6084 7.1199 7.1199 7.1553 7.1635 7.2087 7.2087 7.7083 7.7083 12.2275 12.2275 12.6819 12.6819 14.2608 14.2608 14.4549 14.4549 14.6069 14.6210 k = 0.2222 0.1270 0.0895 ( 4101 PWs) bands (ev): -11.1686 -11.1686 -9.6418 -9.6418 -9.0800 -9.0800 -9.0689 -9.0631 -8.6661 -8.6661 -8.6505 -8.6441 -1.5948 -1.5948 -0.6453 -0.6453 0.7664 0.7664 2.2738 2.2738 2.6253 2.6292 2.8811 2.8811 3.0416 3.0416 3.1609 3.1694 4.5156 4.5156 5.5402 5.5402 5.6334 5.6358 5.9389 5.9389 6.0662 6.0706 6.2654 6.2654 6.5454 6.5454 6.5988 6.6102 7.1392 7.1392 7.1802 7.1879 7.1913 7.1913 7.7097 7.7097 12.2585 12.2585 12.7551 12.7551 14.3288 14.3288 14.5111 14.5111 14.6142 14.6282 k = 0.2083 0.1191 0.0839 ( 4113 PWs) bands (ev): -11.1919 -11.1919 -9.6096 -9.6096 -9.0854 -9.0854 -9.0745 -9.0690 -8.6567 -8.6567 -8.6409 -8.6349 -1.5906 -1.5906 -0.5989 -0.5989 0.7187 0.7187 2.2354 2.2354 2.5896 2.5931 2.8561 2.8561 3.0173 3.0173 3.1204 3.1286 4.4411 4.4411 5.5922 5.5922 5.6798 5.6826 5.9653 5.9653 6.0970 6.1013 6.2840 6.2840 6.5504 6.5504 6.6029 6.6142 7.1409 7.1409 7.1928 7.1928 7.2051 7.2122 7.7112 7.7112 12.2864 12.2864 12.8249 12.8249 14.3926 14.3926 14.5646 14.5646 14.6223 14.6361 k = 0.1944 0.1111 0.0783 ( 4110 PWs) bands (ev): -11.2138 -11.2138 -9.5789 -9.5789 -9.0906 -9.0906 -9.0796 -9.0745 -8.6477 -8.6477 -8.6318 -8.6260 -1.5859 -1.5859 -0.5530 -0.5530 0.6737 0.6737 2.1992 2.1992 2.5560 2.5593 2.8276 2.8276 2.9939 2.9939 3.0816 3.0895 4.3692 4.3692 5.6418 5.6418 5.7237 5.7270 5.9885 5.9885 6.1240 6.1283 6.3041 6.3041 6.5576 6.5577 6.6093 6.6204 7.1262 7.1262 7.2117 7.2117 7.2295 7.2361 7.7126 7.7126 12.3113 12.3113 12.8909 12.8909 14.4478 14.4478 14.6151 14.6151 14.6310 14.6446 k = 0.1806 0.1032 0.0727 ( 4123 PWs) bands (ev): -11.2343 -11.2343 -9.5499 -9.5499 -9.0953 -9.0953 -9.0845 -9.0796 -8.6392 -8.6392 -8.6231 -8.6177 -1.5808 -1.5808 -0.5080 -0.5080 0.6315 0.6315 2.1652 2.1652 2.5247 2.5276 2.7972 2.7972 2.9705 2.9705 3.0446 3.0521 4.3004 4.3004 5.6888 5.6888 5.7650 5.7686 6.0086 6.0086 6.1473 6.1515 6.3250 6.3250 6.5673 6.5673 6.6179 6.6288 7.1082 7.1082 7.2345 7.2345 7.2533 7.2594 7.7139 7.7139 12.3334 12.3334 12.9528 12.9528 14.4877 14.4877 14.6403 14.6535 14.6647 14.6647 k = 0.1667 0.0952 0.0671 ( 4135 PWs) bands (ev): -11.2534 -11.2534 -9.5227 -9.5227 -9.0997 -9.0997 -9.0889 -9.0844 -8.6311 -8.6311 -8.6149 -8.6099 -1.5753 -1.5753 -0.4642 -0.4642 0.5922 0.5922 2.1335 2.1335 2.4955 2.4982 2.7664 2.7664 2.9467 2.9467 3.0098 3.0168 4.2350 4.2350 5.7329 5.7329 5.8035 5.8074 6.0256 6.0256 6.1669 6.1710 6.3466 6.3466 6.5791 6.5791 6.6288 6.6394 7.0905 7.0905 7.2577 7.2577 7.2763 7.2819 7.7150 7.7150 12.3530 12.3530 13.0104 13.0104 14.5070 14.5070 14.6499 14.6627 14.7171 14.7171 k = 0.1528 0.0873 0.0615 ( 4129 PWs) bands (ev): -11.2710 -11.2710 -9.4973 -9.4973 -9.1037 -9.1037 -9.0929 -9.0888 -8.6237 -8.6237 -8.6073 -8.6026 -1.5695 -1.5695 -0.4217 -0.4217 0.5557 0.5557 2.1042 2.1042 2.4687 2.4711 2.7360 2.7360 2.9224 2.9224 2.9771 2.9837 4.1735 4.1735 5.7740 5.7740 5.8392 5.8433 6.0398 6.0398 6.1829 6.1870 6.3685 6.3685 6.5928 6.5928 6.6415 6.6517 7.0738 7.0738 7.2802 7.2802 7.2983 7.3033 7.7159 7.7159 12.3703 12.3703 13.0635 13.0635 14.5067 14.5067 14.6598 14.6721 14.7736 14.7736 k = 0.1389 0.0794 0.0559 ( 4111 PWs) bands (ev): -11.2872 -11.2872 -9.4738 -9.4738 -9.1074 -9.1074 -9.0966 -9.0928 -8.6167 -8.6167 -8.6002 -8.5959 -1.5637 -1.5637 -0.3811 -0.3811 0.5223 0.5223 2.0772 2.0772 2.4441 2.4463 2.7066 2.7066 2.8979 2.8979 2.9468 2.9529 4.1160 4.1160 5.8119 5.8119 5.8718 5.8761 6.0511 6.0511 6.1957 6.1997 6.3904 6.3904 6.6079 6.6080 6.6558 6.6654 7.0584 7.0584 7.3016 7.3016 7.3191 7.3236 7.7165 7.7165 12.3855 12.3855 13.1121 13.1121 14.4924 14.4924 14.6698 14.6815 14.8322 14.8322 k = 0.1250 0.0714 0.0503 ( 4105 PWs) bands (ev): -11.3018 -11.3018 -9.4523 -9.4523 -9.1107 -9.1107 -9.0999 -9.0965 -8.6104 -8.6104 -8.5937 -8.5898 -1.5580 -1.5580 -0.3426 -0.3426 0.4919 0.4919 2.0527 2.0527 2.4219 2.4238 2.6788 2.6788 2.8737 2.8737 2.9190 2.9246 4.0630 4.0630 5.8466 5.8466 5.9014 5.9057 6.0598 6.0598 6.2056 6.2095 6.4118 6.4118 6.6241 6.6241 6.6711 6.6800 7.0444 7.0444 7.3217 7.3217 7.3385 7.3425 7.7168 7.7168 12.3988 12.3988 13.1559 13.1559 14.4701 14.4701 14.6796 14.6906 14.8907 14.8907 k = 0.1111 0.0635 0.0447 ( 4105 PWs) bands (ev): -11.3150 -11.3150 -9.4329 -9.4329 -9.1136 -9.1136 -9.1029 -9.0998 -8.6046 -8.6046 -8.5877 -8.5843 -1.5526 -1.5526 -0.3067 -0.3067 0.4645 0.4645 2.0306 2.0306 2.4020 2.4036 2.6529 2.6529 2.8502 2.8502 2.8939 2.8990 4.0147 4.0147 5.8781 5.8781 5.9281 5.9323 6.0660 6.0660 6.2130 6.2167 6.4325 6.4325 6.6406 6.6406 6.6868 6.6950 7.0318 7.0318 7.3401 7.3401 7.3563 7.3598 7.7167 7.7168 12.4103 12.4103 13.1950 13.1950 14.4442 14.4442 14.6892 14.6993 14.9472 14.9472 k = 0.0972 0.0556 0.0391 ( 4099 PWs) bands (ev): -11.3266 -11.3266 -9.4157 -9.4157 -9.1162 -9.1162 -9.1055 -9.1027 -8.5995 -8.5995 -8.5824 -8.5794 -1.5474 -1.5474 -0.2738 -0.2738 0.4403 0.4403 2.0111 2.0111 2.3844 2.3859 2.6292 2.6292 2.8279 2.8279 2.8715 2.8760 3.9715 3.9715 5.9065 5.9065 5.9517 5.9557 6.0699 6.0699 6.2183 6.2218 6.4521 6.4521 6.6569 6.6569 6.7023 6.7097 7.0206 7.0206 7.3566 7.3566 7.3724 7.3753 7.7165 7.7165 12.4201 12.4201 13.2293 13.2294 14.4175 14.4175 14.6983 14.7075 15.0004 15.0004 k = 0.0833 0.0476 0.0335 ( 4111 PWs) bands (ev): -11.3367 -11.3367 -9.4006 -9.4006 -9.1184 -9.1184 -9.1077 -9.1053 -8.5951 -8.5951 -8.5778 -8.5752 -1.5427 -1.5427 -0.2443 -0.2443 0.4193 0.4193 1.9940 1.9940 2.3692 2.3704 2.6079 2.6079 2.8075 2.8075 2.8519 2.8558 3.9334 3.9334 5.9318 5.9318 5.9723 5.9761 6.0718 6.0718 6.2220 6.2252 6.4702 6.4702 6.6723 6.6723 6.7171 6.7236 7.0109 7.0109 7.3712 7.3712 7.3866 7.3891 7.7161 7.7161 12.4284 12.4284 13.2590 13.2590 14.3920 14.3920 14.7067 14.7149 15.0491 15.0491 k = 0.0694 0.0397 0.0280 ( 4111 PWs) bands (ev): -11.3453 -11.3453 -9.3877 -9.3877 -9.1203 -9.1203 -9.1095 -9.1075 -8.5912 -8.5912 -8.5738 -8.5716 -1.5386 -1.5386 -0.2185 -0.2185 0.4014 0.4014 1.9796 1.9796 2.3564 2.3574 2.5894 2.5894 2.7893 2.7893 2.8353 2.8386 3.9009 3.9009 5.9542 5.9542 5.9899 5.9933 6.0718 6.0718 6.2243 6.2272 6.4863 6.4863 6.6864 6.6864 6.7307 6.7362 7.0027 7.0027 7.3838 7.3838 7.3988 7.4009 7.7155 7.7155 12.4353 12.4353 13.2841 13.2841 14.3689 14.3689 14.7144 14.7213 15.0924 15.0924 k = 0.0556 0.0317 0.0224 ( 4111 PWs) bands (ev): -11.3523 -11.3523 -9.3772 -9.3772 -9.1218 -9.1218 -9.1109 -9.1094 -8.5881 -8.5881 -8.5704 -8.5687 -1.5350 -1.5350 -0.1968 -0.1968 0.3868 0.3868 1.9677 1.9677 2.3459 2.3466 2.5739 2.5739 2.7739 2.7739 2.8216 2.8243 3.8740 3.8740 5.9736 5.9736 6.0045 6.0074 6.0702 6.0702 6.2258 6.2282 6.5001 6.5001 6.6987 6.6987 6.7426 6.7470 6.9960 6.9960 7.3942 7.3942 7.4090 7.4106 7.7149 7.7149 12.4409 12.4409 13.3045 13.3045 14.3491 14.3491 14.7210 14.7267 15.1293 15.1293 k = 0.0417 0.0238 0.0168 ( 4123 PWs) bands (ev): -11.3578 -11.3578 -9.3689 -9.3689 -9.1230 -9.1230 -9.1120 -9.1109 -8.5856 -8.5856 -8.5678 -8.5665 -1.5322 -1.5322 -0.1796 -0.1796 0.3753 0.3753 1.9584 1.9584 2.3377 2.3383 2.5615 2.5615 2.7615 2.7615 2.8110 2.8130 3.8529 3.8529 5.9902 5.9902 6.0161 6.0184 6.0673 6.0673 6.2266 6.2286 6.5112 6.5112 6.7086 6.7086 6.7523 6.7557 6.9907 6.9907 7.4023 7.4023 7.4170 7.4182 7.7144 7.7144 12.4451 12.4451 13.3203 13.3203 14.3332 14.3332 14.7265 14.7309 15.1589 15.1589 k = 0.0278 0.0159 0.0112 ( 4132 PWs) bands (ev): -11.3617 -11.3617 -9.3630 -9.3630 -9.1238 -9.1238 -9.1128 -9.1120 -8.5839 -8.5839 -8.5658 -8.5649 -1.5302 -1.5302 -0.1670 -0.1670 0.3672 0.3672 1.9518 1.9518 2.3319 2.3323 2.5526 2.5526 2.7525 2.7525 2.8035 2.8049 3.8378 3.8378 6.0035 6.0035 6.0245 6.0261 6.0635 6.0635 6.2272 6.2285 6.5194 6.5194 6.7160 6.7160 6.7597 6.7620 6.9870 6.9870 7.4081 7.4081 7.4228 7.4236 7.7139 7.7139 12.4481 12.4481 13.3315 13.3315 14.3216 14.3216 14.7308 14.7337 15.1806 15.1806 k = 0.0139 0.0079 0.0056 ( 4126 PWs) bands (ev): -11.3641 -11.3641 -9.3595 -9.3595 -9.1243 -9.1243 -9.1131 -9.1127 -8.5828 -8.5828 -8.5645 -8.5641 -1.5290 -1.5290 -0.1594 -0.1594 0.3623 0.3623 1.9478 1.9478 2.3285 2.3287 2.5471 2.5471 2.7470 2.7470 2.7992 2.7998 3.8286 3.8286 6.0128 6.0128 6.0298 6.0306 6.0599 6.0599 6.2275 6.2282 6.5244 6.5244 6.7205 6.7205 6.7644 6.7656 6.9848 6.9848 7.4116 7.4116 7.4264 7.4267 7.7136 7.7136 12.4499 12.4499 13.3383 13.3383 14.3145 14.3145 14.7336 14.7351 15.1938 15.1938 k = 0.0000 0.0000 0.0000 ( 4129 PWs) bands (ev): -11.3648 -11.3648 -9.3583 -9.3583 -9.1245 -9.1245 -9.1131 -9.1131 -8.5825 -8.5825 -8.5640 -8.5640 -1.5286 -1.5286 -0.1568 -0.1568 0.3607 0.3607 1.9465 1.9465 2.3274 2.3274 2.5453 2.5453 2.7452 2.7452 2.7979 2.7979 3.8256 3.8256 6.0163 6.0163 6.0319 6.0319 6.0583 6.0583 6.2279 6.2279 6.5261 6.5261 6.7220 6.7220 6.7664 6.7664 6.9840 6.9840 7.4128 7.4128 7.4277 7.4277 7.7135 7.7135 12.4505 12.4505 13.3405 13.3405 14.3121 14.3121 14.7351 14.7351 15.1983 15.1983 k = 0.0000 0.0000 0.0000 ( 4129 PWs) bands (ev): -11.3648 -11.3648 -9.3583 -9.3583 -9.1245 -9.1245 -9.1131 -9.1131 -8.5825 -8.5825 -8.5640 -8.5640 -1.5286 -1.5286 -0.1568 -0.1568 0.3607 0.3607 1.9465 1.9465 2.3274 2.3274 2.5453 2.5453 2.7452 2.7452 2.7979 2.7979 3.8256 3.8256 6.0163 6.0163 6.0319 6.0319 6.0583 6.0583 6.2279 6.2279 6.5261 6.5261 6.7220 6.7220 6.7664 6.7664 6.9840 6.9840 7.4128 7.4128 7.4277 7.4277 7.7135 7.7135 12.4505 12.4505 13.3405 13.3405 14.3121 14.3121 14.7351 14.7351 15.1983 15.1983 k = 0.0085-0.0050-0.0140 ( 4135 PWs) bands (ev): -11.3645 -11.3636 -9.3606 -9.3571 -9.1259 -9.1234 -9.1132 -9.1132 -8.5835 -8.5823 -8.5644 -8.5644 -1.5290 -1.5283 -0.1593 -0.1581 0.3620 0.3622 1.9391 1.9567 2.3288 2.3288 2.5186 2.5698 2.7081 2.7663 2.8063 2.8140 3.8127 3.8472 6.0110 6.0174 6.0303 6.0306 6.0521 6.0615 6.2261 6.2263 6.5157 6.5343 6.7137 6.7290 6.7663 6.7664 6.9817 6.9834 7.4121 7.4128 7.4274 7.4274 7.7141 7.7152 12.4479 12.4501 13.3229 13.3549 14.3105 14.3166 14.7324 14.7325 15.1728 15.2198 k = 0.0170-0.0100-0.0280 ( 4137 PWs) bands (ev): -11.3624 -11.3607 -9.3641 -9.3570 -9.1277 -9.1227 -9.1138 -9.1134 -8.5853 -8.5828 -8.5655 -8.5655 -1.5298 -1.5284 -0.1652 -0.1629 0.3662 0.3667 1.9347 1.9699 2.3326 2.3330 2.4917 2.5905 2.6704 2.7687 2.8257 2.8551 3.8088 3.8771 6.0011 6.0142 6.0248 6.0273 6.0440 6.0613 6.2204 6.2219 6.5034 6.5395 6.7047 6.7342 6.7661 6.7668 6.9765 6.9798 7.4108 7.4122 7.4264 7.4265 7.7168 7.7191 12.4423 12.4466 13.3022 13.3660 14.3118 14.3237 14.7244 14.7250 15.1448 15.2355 k = 0.0255-0.0150-0.0420 ( 4131 PWs) bands (ev): -11.3588 -11.3562 -9.3688 -9.3582 -9.1298 -9.1223 -9.1147 -9.1135 -8.5881 -8.5843 -8.5674 -8.5672 -1.5309 -1.5288 -0.1745 -0.1713 0.3734 0.3741 1.9330 1.9860 2.3386 2.3398 2.4664 2.6065 2.6356 2.7685 2.8539 2.9033 3.8141 3.9147 5.9857 6.0062 6.0141 6.0230 6.0358 6.0576 6.2105 6.2153 6.4896 6.5409 6.6962 6.7369 6.7655 6.7679 6.9687 6.9737 7.4087 7.4109 7.4246 7.4251 7.7214 7.7251 12.4339 12.4400 13.2785 13.3734 14.3158 14.3330 14.7113 14.7134 15.1151 15.2427 k = 0.0340-0.0200-0.0560 ( 4141 PWs) bands (ev): -11.3535 -11.3500 -9.3747 -9.3608 -9.1322 -9.1221 -9.1162 -9.1134 -8.5920 -8.5868 -8.5698 -8.5693 -1.5322 -1.5295 -0.1872 -0.1831 0.3834 0.3844 1.9339 2.0048 2.3458 2.3491 2.4447 2.6028 2.6204 2.7686 2.8899 2.9544 3.8286 3.9595 5.9643 5.9930 5.9980 6.0176 6.0282 6.0505 6.1964 6.2072 6.4743 6.5376 6.6891 6.7373 6.7649 6.7701 6.9588 6.9652 7.4056 7.4088 7.4217 7.4229 7.7276 7.7329 12.4226 12.4303 13.2519 13.3770 14.3220 14.3435 14.6937 14.6991 15.0844 15.2394 k = 0.0425-0.0250-0.0700 ( 4157 PWs) bands (ev): -11.3465 -11.3422 -9.3820 -9.3648 -9.1349 -9.1222 -9.1179 -9.1130 -8.5971 -8.5905 -8.5724 -8.5718 -1.5338 -1.5306 -0.2031 -0.1982 0.3964 0.3975 1.9373 2.0261 2.3524 2.3602 2.4293 2.5768 2.6296 2.7693 2.9321 3.0073 3.8521 4.0109 5.9366 5.9746 5.9776 6.0108 6.0204 6.0402 6.1783 6.1980 6.4577 6.5289 6.6843 6.7357 6.7641 6.7732 6.9471 6.9549 7.4014 7.4058 7.4178 7.4200 7.7351 7.7421 12.4087 12.4174 13.2225 13.3764 14.3295 14.3540 14.6727 14.6841 15.0534 15.2257 k = 0.0510-0.0301-0.0840 ( 4145 PWs) bands (ev): -11.3380 -11.3328 -9.3908 -9.3704 -9.1377 -9.1236 -9.1190 -9.1120 -8.6034 -8.5957 -8.5752 -8.5744 -1.5355 -1.5318 -0.2219 -0.2164 0.4122 0.4135 1.9431 2.0495 2.3553 2.3722 2.4243 2.5562 2.6382 2.7706 2.9791 3.0614 3.8841 4.0684 5.9027 5.9509 5.9540 6.0020 6.0119 6.0271 6.1567 6.1880 6.4397 6.5149 6.6820 6.7329 6.7633 6.7768 6.9340 6.9433 7.3959 7.4021 7.4125 7.4163 7.7433 7.7524 12.3920 12.4015 13.1902 13.3716 14.3368 14.3624 14.6496 14.6711 15.0226 15.2033 k = 0.0595-0.0351-0.0981 ( 4137 PWs) bands (ev): -11.3278 -11.3217 -9.4011 -9.3779 -9.1407 -9.1265 -9.1188 -9.1103 -8.6111 -8.6023 -8.5780 -8.5773 -1.5373 -1.5332 -0.2434 -0.2375 0.4309 0.4322 1.9511 2.0744 2.3535 2.3834 2.4311 2.5431 2.6469 2.7726 3.0294 3.1160 3.9243 4.1314 5.8631 5.9223 5.9268 5.9899 6.0022 6.0122 6.1324 6.1773 6.4203 6.4966 6.6817 6.7293 6.7628 6.7807 6.9200 6.9306 7.3889 7.3974 7.4059 7.4118 7.7519 7.7632 12.3726 12.3826 13.1550 13.3623 14.3416 14.3663 14.6266 14.6637 14.9928 15.1742 k = 0.0680-0.0401-0.1121 ( 4137 PWs) bands (ev): -11.3160 -11.3091 -9.4130 -9.3873 -9.1439 -9.1305 -9.1177 -9.1077 -8.6200 -8.6102 -8.5809 -8.5802 -1.5392 -1.5348 -0.2676 -0.2615 0.4524 0.4538 1.9613 2.0998 2.3510 2.3918 2.4466 2.5397 2.6565 2.7756 3.0820 3.1707 3.9720 4.1993 5.8182 5.8892 5.8956 5.9721 5.9911 5.9978 6.1065 6.1660 6.3998 6.4748 6.6827 6.7252 6.7625 6.7848 6.9054 6.9173 7.3803 7.3913 7.3983 7.4065 7.7604 7.7742 12.3502 12.3612 13.1170 13.3482 14.3406 14.3632 14.6064 14.6650 14.9648 15.1398 k = 0.0765-0.0451-0.1261 ( 4129 PWs) bands (ev): -11.3027 -11.2949 -9.4265 -9.3987 -9.1474 -9.1353 -9.1157 -9.1043 -8.6301 -8.6195 -8.5839 -8.5833 -1.5411 -1.5365 -0.2940 -0.2879 0.4767 0.4781 1.9736 2.1246 2.3520 2.3959 2.4674 2.5477 2.6676 2.7800 3.1360 3.2250 4.0265 4.2716 5.7686 5.8519 5.8605 5.9475 5.9789 5.9845 6.0801 6.1541 6.3781 6.4508 6.6842 6.7211 6.7626 6.7889 6.8903 6.9037 7.3700 7.3832 7.3903 7.4004 7.7685 7.7850 12.3249 12.3374 13.0761 13.3293 14.3301 14.3519 14.5920 14.6767 14.9397 15.1012 k = 0.0850-0.0501-0.1401 ( 4127 PWs) bands (ev): -11.2878 -11.2791 -9.4418 -9.4121 -9.1513 -9.1407 -9.1127 -9.0998 -8.6414 -8.6300 -8.5872 -8.5866 -1.5429 -1.5382 -0.3225 -0.3165 0.5038 0.5050 1.9879 2.1473 2.3595 2.3961 2.4916 2.5663 2.6806 2.7860 3.1905 3.2785 4.0872 4.3478 5.7148 5.8102 5.8217 5.9172 5.9657 5.9712 6.0540 6.1416 6.3556 6.4253 6.6855 6.7168 6.7633 6.7931 6.8751 6.8899 7.3580 7.3723 7.3823 7.3936 7.7759 7.7952 12.2965 12.3116 13.0323 13.3055 14.3089 14.3323 14.5842 14.6981 14.9190 15.0596 k = 0.0935-0.0551-0.1541 ( 4119 PWs) bands (ev): -11.2713 -11.2617 -9.4587 -9.4275 -9.1557 -9.1468 -9.1085 -9.0943 -8.6538 -8.6417 -8.5907 -8.5900 -1.5447 -1.5400 -0.3529 -0.3471 0.5335 0.5346 2.0041 2.1668 2.3750 2.3944 2.5185 2.5935 2.6958 2.7940 3.2451 3.3305 4.1533 4.4273 5.6576 5.7644 5.7796 5.8824 5.9512 5.9572 6.0287 6.1283 6.3323 6.3991 6.6862 6.7125 6.7647 6.7972 6.8600 6.8762 7.3444 7.3592 7.3741 7.3860 7.7824 7.8045 12.2650 12.2841 12.9858 13.2769 14.2780 14.3059 14.5805 14.7268 14.9050 15.0160 k = 0.1020-0.0601-0.1681 ( 4121 PWs) bands (ev): -11.2533 -11.2429 -9.4772 -9.4450 -9.1607 -9.1534 -9.1032 -9.0879 -8.6672 -8.6543 -8.5945 -8.5937 -1.5463 -1.5416 -0.3849 -0.3794 0.5659 0.5668 2.0223 2.1829 2.3925 2.3989 2.5475 2.6269 2.7132 2.8045 3.2990 3.3807 4.2242 4.5097 5.5975 5.7146 5.7345 5.8441 5.9356 5.9423 6.0044 6.1142 6.3086 6.3727 6.6857 6.7083 6.7668 6.8009 6.8452 6.8630 7.3290 7.3442 7.3652 7.3775 7.7879 7.8129 12.2306 12.2549 12.9366 13.2435 14.2388 14.2753 14.5757 14.7592 14.9003 14.9729 k = 0.1105-0.0651-0.1821 ( 4121 PWs) bands (ev): -11.2338 -11.2225 -9.4973 -9.4642 -9.1661 -9.1605 -9.0967 -9.0804 -8.6816 -8.6680 -8.5986 -8.5976 -1.5476 -1.5431 -0.4184 -0.4133 0.6008 0.6014 2.0425 2.1962 2.3918 2.4300 2.5785 2.6651 2.7330 2.8176 3.3518 3.4285 4.2990 4.5941 5.5354 5.6612 5.6866 5.8034 5.9188 5.9265 5.9811 6.0992 6.2847 6.3466 6.6838 6.7040 6.7696 6.8038 6.8314 6.8507 7.3121 7.3274 7.3555 7.3682 7.7921 7.8201 12.1934 12.2241 12.8848 13.2056 14.1934 14.2430 14.5648 14.7882 14.9034 14.9399 k = 0.1190-0.0701-0.1961 ( 4117 PWs) bands (ev): -11.2128 -11.2006 -9.5189 -9.4852 -9.1722 -9.1682 -9.0890 -9.0720 -8.6968 -8.6826 -8.6029 -8.6018 -1.5486 -1.5443 -0.4530 -0.4484 0.6382 0.6385 2.0645 2.2079 2.3927 2.4668 2.6113 2.7067 2.7551 2.8338 3.4029 3.4736 4.3770 4.6802 5.4717 5.6047 5.6364 5.7613 5.9007 5.9097 5.9585 6.0833 6.2610 6.3211 6.6803 6.6994 6.7729 6.8038 6.8203 6.8402 7.2936 7.3090 7.3448 7.3580 7.7951 7.8260 12.1539 12.1919 12.8307 13.1635 14.1436 14.2100 14.5451 14.7957 14.9017 14.9464 k = 0.1275-0.0751-0.2101 ( 4119 PWs) bands (ev): -11.1903 -11.1773 -9.5419 -9.5078 -9.1787 -9.1763 -9.0802 -9.0627 -8.7129 -8.6980 -8.6075 -8.6063 -1.5492 -1.5451 -0.4887 -0.4845 0.6776 0.6781 2.0884 2.2193 2.3956 2.5075 2.6459 2.7507 2.7796 2.8533 3.4521 3.5156 4.4575 4.7669 5.4073 5.5454 5.5843 5.7187 5.8817 5.8921 5.9366 6.0664 6.2376 6.2967 6.6750 6.6946 6.7762 6.7968 6.8151 6.8333 7.2737 7.2891 7.3330 7.3469 7.7970 7.8307 12.1122 12.1584 12.7746 13.1177 14.0908 14.1772 14.5167 14.7664 14.9190 14.9807 k = 0.1360-0.0801-0.2241 ( 4117 PWs) bands (ev): -11.1664 -11.1525 -9.5662 -9.5319 -9.1858 -9.1848 -9.0704 -9.0525 -8.7297 -8.7142 -8.6123 -8.6110 -1.5492 -1.5455 -0.5252 -0.5214 0.7192 0.7202 2.1141 2.2311 2.4005 2.5506 2.6825 2.7949 2.8075 2.8766 3.4989 3.5541 4.5394 4.8534 5.3427 5.4840 5.5309 5.6763 5.8617 5.8737 5.9152 6.0485 6.2149 6.2735 6.6679 6.6891 6.7784 6.7859 6.8120 6.8318 7.2525 7.2677 7.3202 7.3347 7.7977 7.8342 12.0688 12.1238 12.7166 13.0684 14.0358 14.1449 14.4811 14.7182 14.9503 15.0243 k = 0.1445-0.0852-0.2381 ( 4125 PWs) bands (ev): -11.1411 -11.1264 -9.5917 -9.5573 -9.1939 -9.1932 -9.0596 -9.0416 -8.7472 -8.7310 -8.6175 -8.6162 -1.5487 -1.5453 -0.5624 -0.5590 0.7628 0.7645 2.1416 2.2438 2.4074 2.5946 2.7215 2.8301 2.8459 2.9047 3.5432 3.5892 4.6218 4.9385 5.2786 5.4207 5.4767 5.6350 5.8411 5.8545 5.8942 6.0295 6.1934 6.2520 6.6590 6.6829 6.7747 6.7786 6.8106 6.8340 7.2302 7.2451 7.3063 7.3215 7.7974 7.8364 12.0239 12.0882 12.6573 13.0163 13.9794 14.1134 14.4401 14.6632 14.9842 15.0596 k = 0.1530-0.0902-0.2521 ( 4121 PWs) bands (ev): -11.1144 -11.0988 -9.6182 -9.5838 -9.2032 -9.2013 -9.0481 -9.0299 -8.7652 -8.7486 -8.6229 -8.6216 -1.5475 -1.5445 -0.6001 -0.5971 0.8084 0.8108 2.1707 2.2576 2.4161 2.6382 2.7635 2.8599 2.8880 2.9399 3.5849 3.6207 4.7030 5.0202 5.2157 5.3562 5.4229 5.5961 5.8202 5.8349 5.8736 6.0097 6.1733 6.2324 6.6483 6.6760 6.7648 6.7755 6.8127 6.8378 7.2068 7.2213 7.2912 7.3072 7.7962 7.8375 11.9779 12.0518 12.5969 12.9618 13.9220 14.0828 14.3952 14.6050 15.0155 15.0517 k = 0.1615-0.0952-0.2661 ( 4129 PWs) bands (ev): -11.0864 -11.0700 -9.6456 -9.6113 -9.2129 -9.2098 -9.0357 -9.0176 -8.7838 -8.7666 -8.6287 -8.6273 -1.5455 -1.5430 -0.6382 -0.6354 0.8560 0.8592 2.2013 2.2726 2.4264 2.6805 2.8091 2.8896 2.9256 2.9835 3.6239 3.6490 4.7812 5.0944 5.1562 5.2911 5.3709 5.5608 5.7994 5.8149 5.8533 5.9891 6.1550 6.2148 6.6359 6.6682 6.7561 6.7709 6.8175 6.8421 7.1828 7.1966 7.2749 7.2918 7.7942 7.8375 11.9314 12.0150 12.5358 12.9055 13.8637 14.0532 14.3477 14.5448 15.0322 15.0416 k = 0.1700-0.1002-0.2802 ( 4127 PWs) bands (ev): -11.0571 -11.0398 -9.6738 -9.6398 -9.2229 -9.2187 -9.0228 -9.0048 -8.8027 -8.7851 -8.6348 -8.6334 -1.5427 -1.5406 -0.6766 -0.6739 0.9053 0.9094 2.2331 2.2888 2.4381 2.7210 2.8582 2.9191 2.9592 3.0336 3.6601 3.6749 4.8529 5.0898 5.1662 5.2273 5.3235 5.5317 5.7789 5.7949 5.8335 5.9681 6.1389 6.1995 6.6220 6.6596 6.7489 6.7662 6.8239 6.8467 7.1584 7.1713 7.2574 7.2752 7.7915 7.8364 11.8847 11.9779 12.4746 12.8478 13.8049 14.0245 14.2986 14.4834 15.0136 15.0560 k = 0.1785-0.1052-0.2942 ( 4125 PWs) bands (ev): -11.0265 -11.0084 -9.7028 -9.6690 -9.2332 -9.2280 -9.0093 -8.9916 -8.8219 -8.8039 -8.6411 -8.6398 -1.5390 -1.5373 -0.7152 -0.7125 0.9564 0.9613 2.2658 2.3060 2.4510 2.7598 2.9104 2.9479 2.9910 3.0873 3.6911 3.7017 4.9114 5.0343 5.1552 5.2225 5.2871 5.5124 5.7591 5.7756 5.8143 5.9471 6.1254 6.1864 6.6068 6.6504 6.7430 6.7617 6.8311 6.8515 7.1340 7.1458 7.2387 7.2575 7.7883 7.8344 11.8383 11.9409 12.4135 12.7892 13.7456 13.9968 14.2488 14.4214 14.9938 15.0598 k = 0.1870-0.1102-0.3082 ( 4133 PWs) bands (ev): -10.9948 -10.9758 -9.7323 -9.6988 -9.2438 -9.2376 -8.9954 -8.9783 -8.8410 -8.8229 -8.6479 -8.6465 -1.5344 -1.5331 -0.7538 -0.7511 1.0090 1.0150 2.2982 2.3247 2.4649 2.7974 2.9641 2.9751 3.0226 3.1429 3.7142 3.7334 4.9389 4.9877 5.0928 5.2431 5.2758 5.5074 5.7399 5.7584 5.7959 5.9267 6.1151 6.1757 6.5904 6.6408 6.7384 6.7576 6.8388 6.8563 7.1101 7.1205 7.2188 7.2384 7.7847 7.8313 11.7927 11.9041 12.3531 12.7303 13.6862 13.9700 14.1990 14.3593 14.9733 15.0525 k = 0.1955-0.1152-0.3222 ( 4135 PWs) bands (ev): -10.9618 -10.9420 -9.7623 -9.7292 -9.2545 -9.2475 -8.9815 -8.9654 -8.8595 -8.8417 -8.6550 -8.6536 -1.5287 -1.5278 -0.7924 -0.7895 1.0631 1.0702 2.3274 2.3467 2.4800 2.8343 2.9997 3.0157 3.0574 3.1993 3.7344 3.7665 4.9066 4.9668 5.0347 5.2497 5.2824 5.5156 5.7209 5.7454 5.7789 5.9076 6.1085 6.1674 6.5730 6.6309 6.7349 6.7539 6.8467 6.8611 7.0876 7.0963 7.1976 7.2182 7.7806 7.8273 11.7486 11.8679 12.2936 12.6713 13.6268 13.9439 14.1496 14.2976 14.9520 15.0359 k = 0.2040-0.1202-0.3362 ( 4135 PWs) bands (ev): -10.9277 -10.9071 -9.7926 -9.7599 -9.2655 -9.2577 -8.9681 -8.9540 -8.8762 -8.8599 -8.6624 -8.6609 -1.5220 -1.5214 -0.8309 -0.8278 1.1187 1.1268 2.3496 2.3738 2.4967 2.8709 3.0217 3.0564 3.1031 3.2560 3.7540 3.8000 4.8541 4.9281 4.9886 5.2501 5.2999 5.5278 5.7019 5.7382 5.7635 5.8909 6.1062 6.1616 6.5545 6.6208 6.7323 6.7504 6.8547 6.8659 7.0674 7.0741 7.1752 7.1968 7.7763 7.8222 11.7064 11.8325 12.2355 12.6125 13.5678 13.9185 14.1011 14.2371 14.9295 15.0119 k = 0.2125-0.1252-0.3502 ( 4133 PWs) bands (ev): -10.8926 -10.8711 -9.8232 -9.7910 -9.2767 -9.2682 -8.9564 -8.9474 -8.8881 -8.8763 -8.6702 -8.6686 -1.5143 -1.5137 -0.8692 -0.8659 1.1755 1.1848 2.3671 2.4014 2.5165 2.9074 3.0407 3.0863 3.1591 3.3125 3.7742 3.8342 4.7996 4.8711 4.9495 5.2341 5.3331 5.5344 5.6831 5.7358 5.7503 5.8777 6.1086 6.1585 6.5350 6.6102 6.7301 6.7470 6.8627 6.8707 7.0505 7.0553 7.1517 7.1742 7.7716 7.8161 11.6667 11.7982 12.1792 12.5543 13.5096 13.8935 14.0537 14.1782 14.9056 14.9824 k = 0.2210-0.1302-0.3642 ( 4143 PWs) bands (ev): -10.8564 -10.8341 -9.8539 -9.8222 -9.2880 -9.2789 -8.9522 -8.9481 -8.8902 -8.8871 -8.6783 -8.6765 -1.5055 -1.5048 -0.9072 -0.9038 1.2336 1.2441 2.3818 2.4239 2.5411 2.9438 3.0571 3.1115 3.2188 3.3683 3.7953 3.8693 4.7447 4.8099 4.9116 5.2110 5.3667 5.5322 5.6654 5.7347 5.7396 5.8684 6.1153 6.1581 6.5144 6.5985 6.7280 6.7437 6.8700 6.8758 7.0374 7.0423 7.1272 7.1506 7.7664 7.8087 11.6300 11.7649 12.1251 12.4967 13.4527 13.8687 14.0079 14.1218 14.8802 14.9488 k = 0.2295-0.1352-0.3782 ( 4143 PWs) bands (ev): -10.8193 -10.7961 -9.8846 -9.8535 -9.2994 -9.2898 -8.9646 -8.9518 -8.8891 -8.8812 -8.6868 -8.6847 -1.4956 -1.4947 -0.9450 -0.9414 1.2928 1.3046 2.3936 2.4387 2.5720 2.9797 3.0718 3.1348 3.2794 3.4230 3.8177 3.9050 4.6901 4.7489 4.8751 5.1852 5.3930 5.5231 5.6493 5.7308 5.7321 5.8622 6.1253 6.1606 6.4924 6.5847 6.7258 6.7410 6.8759 6.8815 7.0286 7.0372 7.1019 7.1263 7.7608 7.8001 11.5968 11.7329 12.0737 12.4397 13.3979 13.8437 13.9637 14.0685 14.8531 14.9122 k = 0.2380-0.1403-0.3922 ( 4147 PWs) bands (ev): -10.7813 -10.7573 -9.9153 -9.8847 -9.3109 -9.3009 -8.9821 -8.9644 -8.8806 -8.8687 -8.6956 -8.6931 -1.4846 -1.4834 -0.9824 -0.9787 1.3531 1.3662 2.4021 2.4452 2.6085 3.0145 3.0864 3.1574 3.3397 3.4761 3.8410 3.9408 4.6366 4.6904 4.8409 5.1581 5.4092 5.5099 5.6354 5.7218 5.7286 5.8571 6.1365 6.1655 6.4687 6.5673 6.7234 6.7390 6.8807 6.8876 7.0262 7.0389 7.0769 7.1025 7.7545 7.7899 11.5676 11.7019 12.0255 12.3834 13.3456 13.8181 13.9215 14.0192 14.8243 14.8735 k = 0.2465-0.1453-0.4062 ( 4151 PWs) bands (ev): -10.7424 -10.7176 -9.9458 -9.9159 -9.3224 -9.3120 -9.0013 -8.9814 -8.8674 -8.8543 -8.7046 -8.7018 -1.4724 -1.4710 -1.0195 -1.0157 1.4144 1.4287 2.4066 2.4444 2.6493 3.0463 3.1033 3.1806 3.3986 3.5273 3.8644 3.9759 4.5849 4.6359 4.8093 5.1306 5.4150 5.4949 5.6238 5.7114 5.7257 5.8511 6.1471 6.1719 6.4430 6.5454 6.7206 6.7382 6.8854 6.8930 7.0295 7.0389 7.0565 7.0861 7.7474 7.7783 11.5426 11.6716 11.9813 12.3276 13.2967 13.7916 13.8815 13.9743 14.7937 14.8334 k = 0.2550-0.1503-0.4202 ( 4141 PWs) bands (ev): -10.7028 -10.6772 -9.9760 -9.9468 -9.3339 -9.3232 -9.0212 -9.0001 -8.8526 -8.8395 -8.7138 -8.7105 -1.4589 -1.4573 -1.0562 -1.0522 1.4765 1.4923 2.4065 2.4371 2.6927 3.0730 3.1254 3.2056 3.4552 3.5758 3.8868 4.0088 4.5362 4.5873 4.7802 5.1030 5.4121 5.4798 5.6148 5.7003 5.7226 5.8429 6.1561 6.1781 6.4151 6.5182 6.7177 6.7383 6.8904 6.8971 7.0159 7.0325 7.0507 7.0955 7.7392 7.7649 11.5222 11.6416 11.9418 12.2719 13.2519 13.7637 13.8441 13.9347 14.7613 14.7929 k = 0.2635-0.1553-0.4342 ( 4143 PWs) bands (ev): -10.6625 -10.6361 -10.0060 -9.9774 -9.3454 -9.3345 -9.0414 -9.0195 -8.8372 -8.8248 -8.7229 -8.7190 -1.4444 -1.4425 -1.0925 -1.0885 1.5395 1.5566 2.4016 2.4242 2.7380 3.0949 3.1529 3.2333 3.5086 3.6210 3.9066 4.0379 4.4917 4.5468 4.7536 5.0753 5.4028 5.4657 5.6082 5.6893 5.7185 5.8323 6.1629 6.1825 6.3849 6.4859 6.7144 6.7388 6.8956 6.8990 6.9933 7.0089 7.0703 7.1237 7.7299 7.7498 11.5064 11.6114 11.9079 12.2163 13.2121 13.7347 13.8093 13.9003 14.7268 14.7525 k = 0.2720-0.1603-0.4482 ( 4139 PWs) bands (ev): -10.6215 -10.5943 -10.0355 -10.0077 -9.3569 -9.3458 -9.0615 -9.0390 -8.8220 -8.8114 -8.7316 -8.7267 -1.4288 -1.4267 -1.1284 -1.1243 1.6033 1.6218 2.3917 2.4065 2.7842 3.1149 3.1831 3.2643 3.5575 3.6619 3.9224 4.0613 4.4530 4.5164 4.7293 5.0478 5.3896 5.4532 5.6039 5.6791 5.7131 5.8192 6.1670 6.1845 6.3523 6.4492 6.7105 6.7389 6.8950 6.9004 6.9754 6.9843 7.0985 7.1608 7.7190 7.7329 11.4950 11.5804 11.8803 12.1603 13.1778 13.7054 13.7770 13.8712 14.6899 14.7134 k = 0.2805-0.1653-0.4623 ( 4133 PWs) bands (ev): -10.5800 -10.5520 -10.0645 -10.0375 -9.3682 -9.3571 -9.0815 -9.0585 -8.8082 -8.8005 -8.7391 -8.7322 -1.4122 -1.4100 -1.1637 -1.1596 1.6678 1.6877 2.3772 2.3846 2.8308 3.1355 3.2138 3.2983 3.6008 3.6973 3.9337 4.0777 4.4220 4.4969 4.7070 5.0203 5.3748 5.4430 5.6016 5.6698 5.7071 5.8042 6.1681 6.1839 6.3176 6.4091 6.7055 6.7378 6.8822 6.8991 6.9654 6.9683 7.1328 7.2034 7.7061 7.7147 11.4872 11.5491 11.8597 12.1037 13.1497 13.6768 13.7469 13.8469 14.6507 14.6759 k = 0.2890-0.1703-0.4763 ( 4131 PWs) bands (ev): -10.5381 -10.5093 -10.0930 -10.0667 -9.3794 -9.3682 -9.1012 -9.0778 -8.7982 -8.7946 -8.7434 -8.7330 -1.3948 -1.3923 -1.1984 -1.1944 1.7329 1.7542 2.3579 2.3598 2.8771 3.1580 3.2446 3.3345 3.6366 3.7257 3.9413 4.0869 4.4005 4.4878 4.6866 4.9931 5.3597 5.4358 5.6005 5.6616 5.7017 5.7875 6.1662 6.1809 6.2811 6.3662 6.6987 6.7348 6.8608 6.8859 6.9606 6.9710 7.1720 7.2494 7.6899 7.6963 11.4785 11.5214 11.8460 12.0464 13.1283 13.6501 13.7190 13.8266 14.6100 14.6397 k = 0.2975-0.1753-0.4903 ( 4127 PWs) bands (ev): -10.4957 -10.4662 -10.1208 -10.0954 -9.3905 -9.3793 -9.1206 -9.0968 -8.7973 -8.7933 -8.7415 -8.7273 -1.3768 -1.3740 -1.2324 -1.2285 1.7986 1.8212 2.3312 2.3363 2.9226 3.1826 3.2752 3.3712 3.6632 3.7461 3.9476 4.0903 4.3888 4.4864 4.6678 4.9660 5.3455 5.4322 5.5991 5.6549 5.6986 5.7701 6.1616 6.1759 6.2433 6.3215 6.6890 6.7289 6.8358 6.8631 6.9673 6.9802 7.2146 7.2971 7.6690 7.6793 11.4568 11.5094 11.8388 11.9885 13.1138 13.6262 13.6933 13.8098 14.5690 14.6044 k = 0.3060-0.1803-0.5043 ( 4135 PWs) bands (ev): -10.4531 -10.4229 -10.1479 -10.1233 -9.4013 -9.3903 -9.1395 -9.1154 -8.8040 -8.7977 -8.7325 -8.7167 -1.3590 -1.3556 -1.2648 -1.2614 1.8647 1.8888 2.3016 2.3111 2.9665 3.2091 3.3058 3.4066 3.6786 3.7585 3.9555 4.0914 4.3854 4.4894 4.6503 4.9392 5.3328 5.4324 5.5952 5.6516 5.6989 5.7531 6.1544 6.1690 6.2048 6.2757 6.6753 6.7188 6.8110 6.8380 6.9796 6.9930 7.2595 7.3450 7.6455 7.6616 11.4221 11.5127 11.8369 11.9307 13.1063 13.6058 13.6701 13.7957 14.5281 14.5696 k = 0.3145-0.1853-0.5183 ( 4135 PWs) bands (ev): -10.4103 -10.3794 -10.1743 -10.1506 -9.4120 -9.4010 -9.1579 -9.1335 -8.8141 -8.8066 -8.7195 -8.7036 -1.3447 -1.3399 -1.2925 -1.2903 1.9312 1.9567 2.2707 2.2838 3.0080 3.2372 3.3361 3.4379 3.6837 3.7646 3.9664 4.0941 4.3870 4.4934 4.6338 4.9127 5.3218 5.4364 5.5873 5.6523 5.7031 5.7385 6.1441 6.1597 6.1681 6.2295 6.6567 6.7029 6.7891 6.8146 6.9946 7.0080 7.3056 7.3920 7.6207 7.6425 11.3827 11.5230 11.8343 11.8783 13.1058 13.5893 13.6494 13.7841 14.4880 14.5354 k = 0.3230-0.1903-0.5323 ( 4137 PWs) bands (ev): -10.3674 -10.3359 -10.1997 -10.1770 -9.4223 -9.4116 -9.1757 -9.1511 -8.8261 -8.8178 -8.7049 -8.6894 -1.3497 -1.3432 -1.3000 -1.2986 1.9980 2.0249 2.2392 2.2552 3.0460 3.2665 3.3659 3.4613 3.6833 3.7664 3.9801 4.1014 4.3905 4.4958 4.6181 4.8867 5.3126 5.4430 5.5770 5.6551 5.7106 5.7300 6.1203 6.1405 6.1519 6.1840 6.6328 6.6800 6.7715 6.7951 7.0110 7.0244 7.3515 7.4369 7.5952 7.6220 11.3414 11.5371 11.7991 11.8629 13.1119 13.5768 13.6316 13.7747 14.4489 14.5020 k = 0.3315-0.1954-0.5463 ( 4139 PWs) bands (ev): -10.3246 -10.2926 -10.2240 -10.2024 -9.4324 -9.4219 -9.1930 -9.1681 -8.8393 -8.8304 -8.6897 -8.6748 -1.3756 -1.3695 -1.2849 -1.2833 2.0651 2.0932 2.2078 2.2259 3.0795 3.2962 3.3947 3.4722 3.6856 3.7653 3.9958 4.1144 4.3930 4.4947 4.6028 4.8614 5.3044 5.4500 5.5668 5.6565 5.7199 5.7331 6.0834 6.1240 6.1371 6.1472 6.6041 6.6507 6.7577 6.7799 7.0283 7.0418 7.3963 7.4777 7.5708 7.6005 11.2992 11.5529 11.7437 11.8727 13.1241 13.5683 13.6168 13.7671 14.4112 14.4694 k = 0.3400-0.2004-0.5603 ( 4139 PWs) bands (ev): -10.2823 -10.2552 -10.2419 -10.2266 -9.4422 -9.4319 -9.2095 -9.1843 -8.8534 -8.8440 -8.6746 -8.6602 -1.4056 -1.3999 -1.2646 -1.2629 2.1319 2.1605 2.1777 2.1970 3.1074 3.3257 3.4207 3.4693 3.6961 3.7635 4.0128 4.1328 4.3925 4.4889 4.5880 4.8369 5.2961 5.4544 5.5590 5.6564 5.7323 5.7473 6.0458 6.0879 6.1209 6.1335 6.5719 6.6170 6.7466 6.7683 7.0460 7.0598 7.4385 7.5060 7.5556 7.5791 11.2565 11.5658 11.6909 11.8877 13.1420 13.5635 13.6054 13.7613 14.3749 14.4377 k = 0.3485-0.2054-0.5743 ( 4143 PWs) bands (ev): -10.2720 -10.2539 -10.2363 -10.2046 -9.4516 -9.4417 -9.2253 -9.1999 -8.8683 -8.8584 -8.6596 -8.6458 -1.4360 -1.4305 -1.2430 -1.2411 2.1460 2.1654 2.2008 2.2313 3.1285 3.3539 3.4312 3.4680 3.7144 3.7633 4.0310 4.1560 4.3877 4.4777 4.5739 4.8133 5.2864 5.4533 5.5549 5.6580 5.7500 5.7677 6.0097 6.0460 6.1096 6.1229 6.5376 6.5806 6.7370 6.7590 7.0637 7.0779 7.4729 7.5015 7.5559 7.5763 11.2139 11.5610 11.6574 11.9052 13.1648 13.5622 13.5974 13.7571 14.3404 14.4071 k = 0.3570-0.2104-0.5883 ( 4139 PWs) bands (ev): -10.2933 -10.2745 -10.1962 -10.1622 -9.4607 -9.4511 -9.2402 -9.2146 -8.8837 -8.8734 -8.6449 -8.6318 -1.4659 -1.4606 -1.2208 -1.2188 2.1170 2.1377 2.2671 2.2996 3.1422 3.3783 3.4133 3.4881 3.7360 3.7670 4.0504 4.1836 4.3783 4.4610 4.5609 4.7908 5.2741 5.4458 5.5544 5.6632 5.7710 5.7928 5.9761 6.0058 6.0995 6.1132 6.5025 6.5431 6.7284 6.7513 7.0811 7.0959 7.4694 7.5004 7.5520 7.6060 11.1716 11.5226 11.6592 11.9239 13.1918 13.5639 13.5931 13.7543 14.3079 14.3778 k = 0.3655-0.2154-0.6023 ( 4137 PWs) bands (ev): -10.3139 -10.2960 -10.1547 -10.1202 -9.4693 -9.4601 -9.2543 -9.2285 -8.8998 -8.8891 -8.6307 -8.6183 -1.4952 -1.4900 -1.1984 -1.1964 2.0892 2.1102 2.3338 2.3678 3.1483 3.3730 3.4129 3.5137 3.7548 3.7779 4.0711 4.2149 4.3645 4.4393 4.5490 4.7694 5.2587 5.4328 5.5567 5.6707 5.7924 5.8217 5.9469 5.9687 6.0906 6.1046 6.4677 6.5055 6.7205 6.7447 7.0980 7.1134 7.4446 7.4866 7.5753 7.6364 11.1302 11.4683 11.6784 11.9429 13.2222 13.5680 13.5925 13.7529 14.2774 14.3496 k = 0.3740-0.2204-0.6163 ( 4143 PWs) bands (ev): -10.3334 -10.3165 -10.1138 -10.0788 -9.4776 -9.4688 -9.2675 -9.2415 -8.9163 -8.9054 -8.6170 -8.6053 -1.5235 -1.5185 -1.1760 -1.1741 2.0630 2.0839 2.4002 2.4358 3.1473 3.3413 3.4340 3.5398 3.7670 3.7969 4.0933 4.2488 4.3473 4.4139 4.5383 4.7490 5.2403 5.4158 5.5603 5.6774 5.8105 5.8521 5.9247 5.9364 6.0831 6.0979 6.4349 6.4693 6.7130 6.7388 7.1138 7.1303 7.4184 7.4633 7.6061 7.6646 11.0899 11.4105 11.7027 11.9613 13.2551 13.5742 13.5956 13.7528 14.2492 14.3228 k = 0.6260 0.0653-0.4151 ( 4143 PWs) bands (ev): -10.3334 -10.3165 -10.1138 -10.0788 -9.4776 -9.4688 -9.2675 -9.2415 -8.9163 -8.9054 -8.6170 -8.6053 -1.5236 -1.5185 -1.1760 -1.1741 2.0630 2.0839 2.4002 2.4358 3.1473 3.3413 3.4340 3.5398 3.7670 3.7969 4.0933 4.2488 4.3473 4.4139 4.5383 4.7490 5.2403 5.4158 5.5603 5.6774 5.8105 5.8521 5.9247 5.9364 6.0831 6.0979 6.4349 6.4693 6.7130 6.7388 7.1138 7.1303 7.4184 7.4633 7.6061 7.6646 11.0899 11.4105 11.7027 11.9613 13.2551 13.5742 13.5956 13.7528 14.2492 14.3228 k = 0.6176 0.0800-0.4151 ( 4141 PWs) bands (ev): -10.3515 -10.3357 -10.0740 -10.0388 -9.4852 -9.4769 -9.2795 -9.2533 -8.9331 -8.9220 -8.6041 -8.5930 -1.5505 -1.5456 -1.1542 -1.1523 2.0387 2.0592 2.4651 2.5023 3.1405 3.3078 3.4546 3.5650 3.7758 3.8179 4.1164 4.2790 4.3330 4.3871 4.5290 4.7297 5.2197 5.3967 5.5634 5.6805 5.8210 5.8770 5.9068 5.9200 6.0778 6.0939 6.4059 6.4363 6.7061 6.7337 7.1283 7.1460 7.3931 7.4383 7.6358 7.6898 11.0515 11.3530 11.7284 11.9784 13.2891 13.5817 13.6022 13.7539 14.2236 14.2976 k = 0.6092 0.0947-0.4151 ( 4131 PWs) bands (ev): -10.3685 -10.3537 -10.0352 -9.9999 -9.4925 -9.4846 -9.2904 -9.2642 -8.9503 -8.9390 -8.5918 -8.5814 -1.5762 -1.5715 -1.1328 -1.1309 2.0162 2.0361 2.5290 2.5681 3.1296 3.2749 3.4735 3.5889 3.7830 3.8376 4.1395 4.2805 4.3432 4.3645 4.5211 4.7114 5.1976 5.3762 5.5641 5.6777 5.8227 5.8786 5.8980 5.9297 6.0749 6.0930 6.3826 6.4082 6.6996 6.7292 7.1411 7.1605 7.3689 7.4129 7.6632 7.7122 11.0148 11.2965 11.7544 11.9938 13.3240 13.5901 13.6119 13.7561 14.2004 14.2738 k = 0.6008 0.1094-0.4151 ( 4133 PWs) bands (ev): -10.3843 -10.3706 -9.9975 -9.9623 -9.4993 -9.4918 -9.3001 -9.2739 -8.9678 -8.9565 -8.5802 -8.5706 -1.6007 -1.5962 -1.1121 -1.1102 1.9955 2.0146 2.5916 2.6328 3.1160 3.2441 3.4904 3.6112 3.7883 3.8546 4.1597 4.2575 4.3347 4.3891 4.5152 4.6941 5.1746 5.3553 5.5611 5.6681 5.8200 5.8635 5.9028 5.9444 6.0745 6.0949 6.3679 6.3876 6.6934 6.7252 7.1522 7.1736 7.3462 7.3878 7.6881 7.7319 10.9803 11.2417 11.7801 12.0071 13.3588 13.5989 13.6245 13.7595 14.1796 14.2514 k = 0.5924 0.1241-0.4151 ( 4131 PWs) bands (ev): -10.3990 -10.3863 -9.9611 -9.9262 -9.5055 -9.4986 -9.3086 -9.2825 -8.9855 -8.9744 -8.5694 -8.5605 -1.6238 -1.6194 -1.0922 -1.0904 1.9767 1.9947 2.6524 2.6958 3.1015 3.2161 3.5052 3.6312 3.7911 3.8679 4.1704 4.2294 4.3250 4.4301 4.5129 4.6780 5.1512 5.3344 5.5540 5.6527 5.8170 5.8515 5.9042 5.9524 6.0758 6.0971 6.3650 6.3769 6.6876 6.7219 7.1610 7.1849 7.3254 7.3633 7.7104 7.7492 10.9481 11.1889 11.8050 12.0181 13.3929 13.6073 13.6396 13.7640 14.1611 14.2303 k = 0.5840 0.1388-0.4151 ( 4137 PWs) bands (ev): -10.4123 -10.4008 -9.9262 -9.8918 -9.5113 -9.5049 -9.3158 -9.2900 -9.0034 -8.9925 -8.5593 -8.5511 -1.6453 -1.6412 -1.0733 -1.0716 1.9597 1.9766 2.7104 2.7564 3.0878 3.1921 3.5178 3.6488 3.7911 3.8768 4.1655 4.2005 4.3330 4.4654 4.5195 4.6641 5.1279 5.3137 5.5436 5.6333 5.8142 5.8430 5.8998 5.9515 6.0778 6.0969 6.3746 6.3785 6.6823 6.7192 7.1676 7.1944 7.3067 7.3399 7.7300 7.7641 10.9187 11.1385 11.8289 12.0266 13.4255 13.6149 13.6569 13.7695 14.1451 14.2106 k = 0.5756 0.1535-0.4151 ( 4141 PWs) bands (ev): -10.4245 -10.4140 -9.8931 -9.8596 -9.5166 -9.5107 -9.3215 -9.2962 -9.0212 -9.0107 -8.5501 -8.5426 -1.6651 -1.6614 -1.0555 -1.0539 1.9445 1.9602 2.7646 2.8130 3.0771 3.1733 3.5279 3.6635 3.7874 3.8804 4.1483 4.1727 4.3560 4.4838 4.5426 4.6551 5.1051 5.2934 5.5310 5.6121 5.8111 5.8368 5.8899 5.9424 6.0798 6.0940 6.3879 6.3988 6.6774 6.7172 7.1717 7.2018 7.2904 7.3178 7.7471 7.7768 10.8922 11.0910 11.8516 12.0327 13.4562 13.6213 13.6758 13.7759 14.1313 14.1924 k = 0.5672 0.1682-0.4151 ( 4137 PWs) bands (ev): -10.4353 -10.4260 -9.8619 -9.8298 -9.5213 -9.5159 -9.3257 -9.3011 -9.0389 -9.0289 -8.5416 -8.5350 -1.6832 -1.6798 -1.0391 -1.0376 1.9312 1.9454 2.8131 2.8628 3.0727 3.1616 3.5356 3.6755 3.7795 3.8779 4.1268 4.1471 4.3851 4.4935 4.5670 4.6588 5.0830 5.2734 5.5176 5.5904 5.8065 5.8316 5.8760 5.9261 6.0818 6.0906 6.4075 6.4291 6.6731 6.7158 7.1735 7.2070 7.2764 7.2972 7.7620 7.7875 10.8690 11.0464 11.8730 12.0363 13.4844 13.6263 13.6955 13.7830 14.1197 14.1756 k = 0.5588 0.1829-0.4151 ( 4128 PWs) bands (ev): -10.4448 -10.4367 -9.8331 -9.8028 -9.5254 -9.5207 -9.3282 -9.3049 -9.0562 -9.0469 -8.5341 -8.5282 -1.6994 -1.6963 -1.0241 -1.0228 1.9197 1.9324 2.8536 2.9009 3.0796 3.1590 3.5408 3.6845 3.7666 3.8688 4.1070 4.1248 4.4124 4.5068 4.5747 4.6829 5.0622 5.2534 5.5044 5.5693 5.7999 5.8266 5.8603 5.9045 6.0840 6.0886 6.4322 6.4631 6.6697 6.7152 7.1736 7.2100 7.2645 7.2785 7.7748 7.7965 10.8494 11.0052 11.8930 12.0377 13.5100 13.6297 13.7154 13.7904 14.1103 14.1603 k = 0.5504 0.1976-0.4151 ( 4134 PWs) bands (ev): -10.4530 -10.4460 -9.8067 -9.7789 -9.5290 -9.5249 -9.3292 -9.3074 -9.0727 -9.0643 -8.5274 -8.5224 -1.7136 -1.7109 -1.0108 -1.0096 1.9100 1.9210 2.8839 2.9229 3.1020 3.1677 3.5434 3.6901 3.7491 3.8536 4.0914 4.1067 4.4320 4.5266 4.5730 4.7187 5.0434 5.2331 5.4926 5.5494 5.7903 5.8207 5.8456 5.8805 6.0865 6.0886 6.4592 6.4971 6.6675 6.7152 7.1725 7.2108 7.2542 7.2619 7.7855 7.8037 10.8334 10.9674 11.9117 12.0368 13.5327 13.6317 13.7347 13.7977 14.1028 14.1464 k = 0.5420 0.2123-0.4151 ( 4134 PWs) bands (ev): -10.4599 -10.4541 -9.7833 -9.7585 -9.5320 -9.5285 -9.3285 -9.3089 -9.0882 -9.0807 -8.5217 -8.5175 -1.7257 -1.7234 -0.9993 -0.9983 1.9020 1.9113 2.9033 2.9311 3.1374 3.1877 3.5433 3.6893 3.7305 3.8338 4.0804 4.0931 4.4443 4.5382 4.5842 4.7547 5.0281 5.2121 5.4827 5.5311 5.7780 5.8120 5.8341 5.8580 6.0889 6.0903 6.4861 6.5280 6.6671 6.7156 7.1711 7.2096 7.2444 7.2484 7.7946 7.8095 10.8213 10.9334 11.9289 12.0340 13.5527 13.6323 13.7527 13.8044 14.0973 14.1342 k = 0.5336 0.2270-0.4151 ( 4134 PWs) bands (ev): -10.4655 -10.4608 -9.7630 -9.7420 -9.5345 -9.5316 -9.3265 -9.3096 -9.1020 -9.0958 -8.5169 -8.5135 -1.7357 -1.7339 -0.9896 -0.9888 1.8957 1.9032 2.9137 2.9316 3.1788 3.2163 3.5407 3.6732 3.7209 3.8119 4.0734 4.0835 4.4528 4.5318 4.6165 4.7836 5.0194 5.1898 5.4753 5.5149 5.7646 5.7981 5.8266 5.8411 6.0913 6.0927 6.5111 6.5531 6.6695 6.7160 7.1703 7.2065 7.2342 7.2392 7.8020 7.8138 10.8134 10.9033 11.9449 12.0295 13.5698 13.6316 13.7691 13.8098 14.0937 14.1235 k = 0.5252 0.2416-0.4151 ( 4140 PWs) bands (ev): -10.4697 -10.4661 -9.7461 -9.7297 -9.5363 -9.5341 -9.3234 -9.3100 -9.1137 -9.1089 -8.5131 -8.5105 -1.7435 -1.7421 -0.9820 -0.9814 1.8910 1.8967 2.9183 2.9291 3.2200 3.2486 3.5367 3.6435 3.7213 3.7901 4.0695 4.0772 4.4603 4.5206 4.6547 4.7996 5.0208 5.1660 5.4705 5.5008 5.7526 5.7805 5.8222 5.8307 6.0937 6.0950 6.5329 6.5702 6.6756 6.7159 7.1706 7.2014 7.2259 7.2321 7.8079 7.8167 10.8095 10.8771 11.9596 12.0233 13.5844 13.6295 13.7832 13.8135 14.0918 14.1143 k = 0.5168 0.2563-0.4151 ( 4142 PWs) bands (ev): -10.4725 -10.4701 -9.7330 -9.7216 -9.5375 -9.5360 -9.3198 -9.3104 -9.1226 -9.1192 -8.5102 -8.5085 -1.7491 -1.7481 -0.9765 -0.9761 1.8880 1.8919 2.9200 2.9261 3.2569 3.2781 3.5339 3.6095 3.7255 3.7706 4.0677 4.0730 4.4681 4.5086 4.6929 4.7994 5.0343 5.1402 5.4687 5.4892 5.7440 5.7635 5.8197 5.8246 6.0958 6.0968 6.5509 6.5784 6.6848 6.7143 7.1725 7.1949 7.2209 7.2263 7.8125 7.8183 10.8100 10.8551 11.9732 12.0158 13.5966 13.6261 13.7949 13.8150 14.0916 14.1067 k = 0.5084 0.2710-0.4151 ( 4132 PWs) bands (ev): -10.4740 -10.4728 -9.7238 -9.7180 -9.5380 -9.5373 -9.3163 -9.3114 -9.1279 -9.1261 -8.5083 -8.5074 -1.7523 -1.7518 -0.9731 -0.9728 1.8866 1.8885 2.9208 2.9235 3.2852 3.2974 3.5372 3.5770 3.7322 3.7543 4.0675 4.0702 4.4767 4.4971 4.7287 4.7848 5.0571 5.1128 5.4697 5.4800 5.7403 5.7502 5.8187 5.8209 6.0973 6.0978 6.5648 6.5793 6.6951 6.7106 7.1762 7.1879 7.2189 7.2219 7.8159 7.8187 10.8148 10.8374 11.9856 12.0069 13.6067 13.6213 13.8040 13.8141 14.0931 14.1007 k = 0.5000 0.2857-0.4151 ( 4126 PWs) bands (ev): -10.4740 -10.4740 -9.7187 -9.7187 -9.5380 -9.5380 -9.3133 -9.3133 -9.1291 -9.1291 -8.5074 -8.5074 -1.7532 -1.7532 -0.9718 -0.9718 1.8868 1.8868 2.9218 2.9218 3.3001 3.3001 3.5515 3.5515 3.7416 3.7416 4.0684 4.0684 4.4864 4.4864 4.7602 4.7602 5.0844 5.0844 5.4735 5.4735 5.7423 5.7423 5.8191 5.8191 6.0980 6.0980 6.5743 6.5743 6.7041 6.7041 7.1814 7.1814 7.2194 7.2194 7.8179 7.8179 10.8239 10.8239 11.9968 11.9968 13.6149 13.6149 13.8104 13.8104 14.0961 14.0961 k = 0.5000 0.2857-0.4151 ( 4126 PWs) bands (ev): -10.4740 -10.4740 -9.7187 -9.7187 -9.5380 -9.5380 -9.3133 -9.3133 -9.1291 -9.1291 -8.5074 -8.5074 -1.7532 -1.7532 -0.9718 -0.9718 1.8868 1.8868 2.9218 2.9218 3.3001 3.3001 3.5515 3.5515 3.7416 3.7416 4.0684 4.0684 4.4864 4.4864 4.7602 4.7602 5.0844 5.0844 5.4735 5.4735 5.7423 5.7423 5.8191 5.8191 6.0980 6.0980 6.5743 6.5743 6.7041 6.7041 7.1814 7.1814 7.2194 7.2194 7.8179 7.8179 10.8239 10.8239 11.9968 11.9968 13.6149 13.6149 13.8104 13.8104 14.0961 14.0961 k = 0.5084 0.2905-0.4016 ( 4129 PWs) bands (ev): -10.4739 -10.4729 -9.7222 -9.7204 -9.5380 -9.5374 -9.3130 -9.3129 -9.1280 -9.1269 -8.5079 -8.5077 -1.7526 -1.7520 -0.9731 -0.9729 1.8871 1.8884 2.9150 2.9204 3.3003 3.3017 3.5493 3.5583 3.7425 3.7441 4.0672 4.0673 4.4837 4.4888 4.7591 4.7644 5.0799 5.0871 5.4675 5.4681 5.7491 5.7511 5.8186 5.8188 6.0978 6.0982 6.5645 6.5769 6.7017 6.7056 7.1763 7.1863 7.2148 7.2258 7.8170 7.8198 10.8221 10.8304 11.9927 12.0006 13.6107 13.6173 13.8055 13.8157 14.0904 14.0991 k = 0.5168 0.2953-0.3882 ( 4133 PWs) bands (ev): -10.4725 -10.4705 -9.7306 -9.7272 -9.5375 -9.5362 -9.3117 -9.3115 -9.1236 -9.1213 -8.5093 -8.5090 -1.7503 -1.7492 -0.9766 -0.9763 1.8893 1.8919 2.9004 2.9109 3.3024 3.3051 3.5515 3.5696 3.7464 3.7498 4.0638 4.0638 4.4808 4.4907 4.7611 4.7716 5.0737 5.0876 5.4522 5.4540 5.7685 5.7732 5.8176 5.8185 6.0976 6.0986 6.5476 6.5718 6.6983 6.7061 7.1699 7.1907 7.2135 7.2339 7.8171 7.8224 10.8251 10.8416 11.9883 12.0041 13.6050 13.6178 13.8013 13.8208 14.0823 14.0995 k = 0.5252 0.3001-0.3748 ( 4136 PWs) bands (ev): -10.4698 -10.4668 -9.7438 -9.7388 -9.5363 -9.5344 -9.3096 -9.3094 -9.1161 -9.1129 -8.5116 -8.5111 -1.7463 -1.7446 -0.9824 -0.9820 1.8935 1.8974 2.8786 2.8937 3.3062 3.3105 3.5574 3.5851 3.7530 3.7586 4.0583 4.0586 4.4779 4.4919 4.7656 4.7810 5.0658 5.0857 5.4327 5.4364 5.7919 5.8009 5.8190 5.8223 6.0976 6.0990 6.5242 6.5590 6.6944 6.7058 7.1609 7.1932 7.2169 7.2445 7.8181 7.8256 10.8326 10.8575 11.9834 12.0073 13.5979 13.6159 13.7982 13.8251 14.0723 14.0975 k = 0.5336 0.3049-0.3614 ( 4138 PWs) bands (ev): -10.4659 -10.4619 -9.7612 -9.7549 -9.5346 -9.5321 -9.3066 -9.3063 -9.1060 -9.1018 -8.5147 -8.5140 -1.7405 -1.7383 -0.9904 -0.9898 1.8997 1.9048 2.8505 2.8696 3.3119 3.3178 3.5662 3.6039 3.7618 3.7702 4.0511 4.0519 4.4750 4.4924 4.7718 4.7917 5.0564 5.0810 5.4133 5.4203 5.8004 5.8072 5.8453 5.8460 6.0978 6.0997 6.4949 6.5387 6.6902 6.7050 7.1492 7.1925 7.2251 7.2585 7.8199 7.8291 10.8447 10.8778 11.9781 12.0101 13.5893 13.6111 13.7963 13.8279 14.0613 14.0935 k = 0.5420 0.3097-0.3480 ( 4148 PWs) bands (ev): -10.4607 -10.4558 -9.7825 -9.7749 -9.5323 -9.5291 -9.3027 -9.3025 -9.0936 -9.0887 -8.5187 -8.5178 -1.7331 -1.7304 -1.0005 -0.9998 1.9078 1.9142 2.8169 2.8395 3.3194 3.3270 3.5773 3.6252 3.7722 3.7838 4.0427 4.0445 4.4723 4.4918 4.7779 4.8017 5.0465 5.0742 5.3973 5.4089 5.7975 5.8030 5.8813 5.8853 6.0982 6.1005 6.4604 6.5114 6.6859 6.7038 7.1351 7.1878 7.2378 7.2761 7.8222 7.8326 10.8611 10.9025 11.9722 12.0124 13.5791 13.6032 13.7957 13.8283 14.0505 14.0882 k = 0.5504 0.3145-0.3346 ( 4149 PWs) bands (ev): -10.4543 -10.4483 -9.8072 -9.7985 -9.5294 -9.5257 -9.2980 -9.2977 -9.0793 -9.0738 -8.5235 -8.5225 -1.7241 -1.7208 -1.0126 -1.0117 1.9180 1.9256 2.7787 2.8041 3.3286 3.3379 3.5900 3.6479 3.7832 3.7985 4.0339 4.0372 4.4695 4.4901 4.7816 4.8081 5.0386 5.0674 5.3864 5.4040 5.7912 5.7967 5.9205 5.9267 6.0990 6.1017 6.4216 6.4779 6.6818 6.7024 7.1187 7.1793 7.2544 7.2971 7.8248 7.8358 10.8815 10.9313 11.9657 12.0143 13.5669 13.5918 13.7963 13.8253 14.0416 14.0822 k = 0.5588 0.3193-0.3211 ( 4145 PWs) bands (ev): -10.4466 -10.4397 -9.8347 -9.8252 -9.5260 -9.5217 -9.2923 -9.2921 -9.0637 -9.0578 -8.5292 -8.5280 -1.7134 -1.7097 -1.0266 -1.0256 1.9303 1.9390 2.7366 2.7643 3.3394 3.3502 3.6037 3.6713 3.7940 3.8130 4.0259 4.0314 4.4667 4.4869 4.7800 4.8074 5.0367 5.0639 5.3813 5.4059 5.7830 5.7888 5.9605 5.9686 6.1001 6.1033 6.3795 6.4392 6.6781 6.7008 7.1003 7.1670 7.2745 7.3209 7.8274 7.8383 10.9058 10.9640 11.9585 12.0156 13.5526 13.5769 13.7977 13.8179 14.0359 14.0765 k = 0.5672 0.3241-0.3077 ( 4146 PWs) bands (ev): -10.4377 -10.4298 -9.8648 -9.8545 -9.5220 -9.5171 -9.2859 -9.2857 -9.0472 -9.0408 -8.5356 -8.5343 -1.7013 -1.6971 -1.0423 -1.0412 1.9448 1.9545 2.6913 2.7208 3.3514 3.3636 3.6181 3.6944 3.8036 3.8258 4.0202 4.0281 4.4635 4.4819 4.7709 4.7967 5.0441 5.0673 5.3819 5.4138 5.7731 5.7794 6.0000 6.0103 6.1018 6.1052 6.3352 6.3964 6.6748 6.6992 7.0797 7.1512 7.2976 7.3471 7.8295 7.8399 10.9336 11.0003 11.9505 12.0162 13.5355 13.5586 13.7996 13.8061 14.0344 14.0716 k = 0.5756 0.3289-0.2943 ( 4142 PWs) bands (ev): -10.4276 -10.4188 -9.8970 -9.8860 -9.5175 -9.5120 -9.2785 -9.2784 -9.0299 -9.0232 -8.5428 -8.5413 -1.6876 -1.6831 -1.0595 -1.0584 1.9613 1.9720 2.6432 2.6742 3.3643 3.3774 3.6326 3.7163 3.8114 3.8352 4.0183 4.0285 4.4597 4.4745 4.7538 4.7761 5.0619 5.0796 5.3874 5.4268 5.7617 5.7686 6.0380 6.0510 6.1042 6.1076 6.2902 6.3508 6.6722 6.6976 7.0571 7.1323 7.3233 7.3753 7.8309 7.8402 10.9646 11.0399 11.9415 12.0159 13.5155 13.5374 13.7904 13.8015 14.0373 14.0685 k = 0.5840 0.3337-0.2809 ( 4138 PWs) bands (ev): -10.4163 -10.4065 -9.9310 -9.9195 -9.5125 -9.5064 -9.2704 -9.2703 -9.0122 -9.0053 -8.5508 -8.5491 -1.6725 -1.6676 -1.0782 -1.0770 1.9801 1.9917 2.5929 2.6249 3.3776 3.3908 3.6470 3.7357 3.8178 3.8400 4.0217 4.0331 4.4550 4.4640 4.7303 4.7485 5.0886 5.1003 5.3970 5.4438 5.7489 5.7564 6.0712 6.0886 6.1090 6.1117 6.2468 6.3041 6.6703 6.6962 7.0324 7.1104 7.3513 7.4050 7.8312 7.8390 10.9983 11.0826 11.9315 12.0148 13.4922 13.5136 13.7722 13.8027 14.0442 14.0678 k = 0.5924 0.3385-0.2675 ( 4139 PWs) bands (ev): -10.4038 -10.3931 -9.9665 -9.9546 -9.5069 -9.5003 -9.2614 -9.2614 -8.9943 -8.9872 -8.5595 -8.5577 -1.6561 -1.6509 -1.0981 -1.0969 2.0010 2.0136 2.5406 2.5734 3.3905 3.4029 3.6607 3.7516 3.8239 3.8402 4.0303 4.0416 4.4491 4.4498 4.7035 4.7174 5.1220 5.1280 5.4100 5.4639 5.7351 5.7430 6.0874 6.1046 6.1250 6.1347 6.2092 6.2586 6.6691 6.6950 7.0057 7.0859 7.3811 7.4359 7.8301 7.8362 11.0345 11.1278 11.9204 12.0126 13.4655 13.4880 13.7527 13.8030 14.0545 14.0699 k = 0.6008 0.3433-0.2541 ( 4137 PWs) bands (ev): -10.3902 -10.3786 -10.0034 -9.9911 -9.5009 -9.4937 -9.2517 -9.2516 -8.9764 -8.9692 -8.5689 -8.5669 -1.6384 -1.6329 -1.1190 -1.1178 2.0242 2.0375 2.4868 2.5201 3.4021 3.4124 3.6737 3.7637 3.8312 3.8371 4.0430 4.0526 4.4313 4.4414 4.6761 4.6859 5.1604 5.1607 5.4256 5.4862 5.7208 5.7287 6.0813 6.1016 6.1455 6.1698 6.1903 6.2191 6.6687 6.6943 6.9771 7.0589 7.4124 7.4676 7.8275 7.8314 11.0726 11.1754 11.9083 12.0094 13.4358 13.4612 13.7333 13.8021 14.0675 14.0752 k = 0.6092 0.3481-0.2406 ( 4138 PWs) bands (ev): -10.3754 -10.3629 -10.0414 -10.0287 -9.4944 -9.4866 -9.2412 -9.2411 -8.9586 -8.9513 -8.5789 -8.5769 -1.6194 -1.6137 -1.1409 -1.1397 2.0494 2.0635 2.4318 2.4652 3.4112 3.4178 3.6860 3.7732 3.8324 3.8399 4.0578 4.0643 4.4087 4.4318 4.6504 4.6570 5.1965 5.2021 5.4429 5.5101 5.7068 5.7139 6.0592 6.0871 6.1488 6.1845 6.2063 6.2120 6.6693 6.6939 6.9467 7.0296 7.4448 7.4998 7.8230 7.8247 11.1124 11.2250 11.8952 12.0051 13.4035 13.4343 13.7149 13.8000 14.0826 14.0836 k = 0.6176 0.3529-0.2272 ( 4133 PWs) bands (ev): -10.3595 -10.3461 -10.0803 -10.0674 -9.4874 -9.4791 -9.2300 -9.2298 -8.9411 -8.9338 -8.5895 -8.5874 -1.5993 -1.5934 -1.1635 -1.1623 2.0768 2.0914 2.3758 2.4090 3.4162 3.4178 3.6981 3.7829 3.8272 3.8485 4.0723 4.0745 4.3830 4.4202 4.6276 4.6331 5.2336 5.2460 5.4611 5.5346 5.6946 5.6994 6.0284 6.0589 6.1499 6.1747 6.2355 6.2442 6.6708 6.6940 6.9147 6.9983 7.4779 7.5321 7.8159 7.8166 11.1533 11.2761 11.8811 11.9998 13.3696 13.4081 13.6980 13.7969 14.0952 14.0996 k = 0.6260 0.3577-0.2138 ( 4138 PWs) bands (ev): -10.3426 -10.3283 -10.1200 -10.1069 -9.4800 -9.4712 -9.2180 -9.2178 -8.9239 -8.9166 -8.6007 -8.5985 -1.5780 -1.5720 -1.1866 -1.1855 2.1060 2.1208 2.3194 2.3519 3.4116 3.4159 3.7108 3.7948 3.8219 3.8555 4.0811 4.0843 4.3560 4.4070 4.6083 4.6161 5.2697 5.2906 5.4791 5.5588 5.6865 5.6866 5.9964 6.0233 6.1543 6.1738 6.2657 6.2769 6.6733 6.6945 6.8813 6.9652 7.5113 7.5642 7.8049 7.8081 11.1950 11.3285 11.8663 11.9935 13.3349 13.3835 13.6831 13.7930 14.1095 14.1182 k = 0.6260 0.3577-0.2138 ( 4138 PWs) bands (ev): -10.3426 -10.3283 -10.1200 -10.1069 -9.4800 -9.4712 -9.2180 -9.2178 -8.9239 -8.9166 -8.6007 -8.5985 -1.5780 -1.5720 -1.1866 -1.1855 2.1060 2.1208 2.3194 2.3519 3.4116 3.4159 3.7108 3.7948 3.8219 3.8555 4.0811 4.0843 4.3560 4.4070 4.6083 4.6161 5.2697 5.2906 5.4791 5.5588 5.6865 5.6866 5.9964 6.0233 6.1543 6.1738 6.2657 6.2769 6.6733 6.6945 6.8813 6.9652 7.5113 7.5642 7.8049 7.8081 11.1950 11.3285 11.8663 11.9935 13.3349 13.3835 13.6831 13.7930 14.1095 14.1182 k = 0.6211 0.3549-0.1978 ( 4136 PWs) bands (ev): -10.3338 -10.3211 -10.1441 -10.1315 -9.4713 -9.4644 -9.2106 -9.2102 -8.9127 -8.9056 -8.6075 -8.6051 -1.5667 -1.5606 -1.2042 -1.2031 2.1203 2.1353 2.2914 2.3254 3.4059 3.4220 3.7428 3.8050 3.8236 3.8785 4.0848 4.0891 4.3271 4.3777 4.5922 4.6050 5.3044 5.3129 5.5033 5.5641 5.6962 5.6963 5.9765 6.0015 6.1450 6.1652 6.2690 6.2830 6.6670 6.6846 6.8421 6.9270 7.5482 7.5947 7.8088 7.8160 11.2264 11.3565 11.8612 11.9821 13.3087 13.3763 13.6678 13.7600 14.1233 14.1344 k = 0.6163 0.3522-0.1819 ( 4141 PWs) bands (ev): -10.3281 -10.3170 -10.1675 -10.1556 -9.4590 -9.4539 -9.2026 -9.2020 -8.9017 -8.8950 -8.6148 -8.6120 -1.5552 -1.5491 -1.2214 -1.2204 2.1301 2.1452 2.2653 2.3000 3.4014 3.4278 3.7628 3.8057 3.8283 3.8984 4.0932 4.0945 4.2997 4.3461 4.5767 4.5940 5.3369 5.3421 5.5334 5.5745 5.7056 5.7063 5.9561 5.9790 6.1404 6.1613 6.2709 6.2873 6.6622 6.6749 6.8047 6.8883 7.5823 7.6226 7.8121 7.8231 11.2588 11.3856 11.8561 11.9706 13.2850 13.3695 13.6527 13.7295 14.1414 14.1553 k = 0.6114 0.3494-0.1659 ( 4141 PWs) bands (ev): -10.3252 -10.3157 -10.1904 -10.1791 -9.4435 -9.4402 -9.1940 -9.1932 -8.8912 -8.8847 -8.6223 -8.6194 -1.5436 -1.5375 -1.2381 -1.2371 2.1357 2.1504 2.2417 2.2761 3.3984 3.4337 3.7650 3.7968 3.8415 3.9144 4.0957 4.1108 4.2749 4.3130 4.5623 4.5832 5.3617 5.3820 5.5679 5.5889 5.7146 5.7167 5.9357 5.9565 6.1406 6.1620 6.2713 6.2894 6.6592 6.6652 6.7706 6.8498 7.6136 7.6478 7.8148 7.8291 11.2915 11.4149 11.8507 11.9585 13.2644 13.3634 13.6384 13.7023 14.1633 14.1803 k = 0.6066 0.3466-0.1499 ( 4143 PWs) bands (ev): -10.3250 -10.3169 -10.2126 -10.2019 -9.4249 -9.4234 -9.1849 -9.1839 -8.8810 -8.8749 -8.6303 -8.6271 -1.5321 -1.5260 -1.2544 -1.2534 2.1376 2.1508 2.2212 2.2537 3.3966 3.4393 3.7538 3.7797 3.8583 3.9260 4.0951 4.1326 4.2553 4.2794 4.5496 4.5729 5.3862 5.4231 5.6036 5.6049 5.7246 5.7292 5.9163 5.9348 6.1453 6.1672 6.2702 6.2892 6.6545 6.6581 6.7418 6.8122 7.6421 7.6704 7.8168 7.8342 11.3235 11.4436 11.8446 11.9457 13.2475 13.3583 13.6253 13.6788 14.1886 14.2089 k = 0.6017 0.3439-0.1340 ( 4143 PWs) bands (ev): -10.3270 -10.3205 -10.2341 -10.2241 -9.4038 -9.4037 -9.1752 -9.1740 -8.8714 -8.8656 -8.6386 -8.6352 -1.5207 -1.5147 -1.2701 -1.2691 2.1362 2.1466 2.2043 2.2331 3.3959 3.4443 3.7358 3.7567 3.8719 3.9326 4.0886 4.1564 4.2444 4.2479 4.5392 4.5636 5.4089 5.4633 5.6188 5.6350 5.7383 5.7483 5.8992 5.9153 6.1537 6.1761 6.2678 6.2866 6.6417 6.6588 6.7204 6.7764 7.6678 7.6906 7.8181 7.8382 11.3543 11.4707 11.8374 11.9318 13.2348 13.3546 13.6138 13.6592 14.2170 14.2405 k = 0.5969 0.3411-0.1180 ( 4137 PWs) bands (ev): -10.3311 -10.3259 -10.2549 -10.2454 -9.3819 -9.3803 -9.1650 -9.1637 -8.8623 -8.8568 -8.6474 -8.6437 -1.5096 -1.5037 -1.2852 -1.2842 2.1322 2.1383 2.1909 2.2144 3.3957 3.4482 3.7140 3.7297 3.8796 3.9341 4.0740 4.1688 4.2309 4.2452 4.5316 4.5562 5.4280 5.4998 5.6270 5.6552 5.7585 5.7790 5.8871 5.9003 6.1645 6.1876 6.2646 6.2819 6.6265 6.6609 6.7075 6.7435 7.6908 7.7083 7.8187 7.8410 11.3831 11.4953 11.8290 11.9166 13.2270 13.3529 13.6042 13.6435 14.2479 14.2745 k = 0.5920 0.3383-0.1020 ( 4139 PWs) bands (ev): -10.3369 -10.3328 -10.2748 -10.2659 -9.3580 -9.3551 -9.1544 -9.1528 -8.8538 -8.8488 -8.6565 -8.6526 -1.4988 -1.4930 -1.2996 -1.2987 2.1262 2.1275 2.1802 2.1975 3.3954 3.4503 3.6901 3.7003 3.8806 3.9303 4.0516 4.1490 4.2483 4.2576 4.5272 4.5514 5.4420 5.5282 5.6286 5.6623 5.7855 5.8200 5.8839 5.8932 6.1764 6.2006 6.2615 6.2756 6.6108 6.6635 6.7018 6.7149 7.7109 7.7238 7.8186 7.8427 11.4093 11.5168 11.8190 11.8999 13.2246 13.3539 13.5968 13.6316 14.2810 14.3101 k = 0.5872 0.3356-0.0861 ( 4140 PWs) bands (ev): -10.3440 -10.3409 -10.2939 -10.2856 -9.3325 -9.3285 -9.1432 -9.1415 -8.8460 -8.8414 -8.6659 -8.6619 -1.4885 -1.4829 -1.3134 -1.3125 2.1160 2.1191 2.1710 2.1824 3.3947 3.4501 3.6649 3.6695 3.8753 3.9218 4.0238 4.1149 4.2790 4.2814 4.5266 4.5497 5.4495 5.5442 5.6247 5.6584 5.8165 5.8607 5.8937 5.9019 6.1879 6.2140 6.2595 6.2686 6.5976 6.6635 6.6946 6.7010 7.7282 7.7370 7.8178 7.8433 11.4324 11.5344 11.8073 11.8817 13.2278 13.3579 13.5919 13.6232 14.3158 14.3467 k = 0.5824 0.3328-0.0701 ( 4132 PWs) bands (ev): -10.3521 -10.3500 -10.3122 -10.3044 -9.3059 -9.3008 -9.1316 -9.1297 -8.8390 -8.8347 -8.6758 -8.6716 -1.4788 -1.4733 -1.3265 -1.3256 2.1050 2.1113 2.1624 2.1689 3.3931 3.4474 3.6382 3.6390 3.8647 3.9088 3.9926 4.0775 4.3069 4.3190 4.5302 4.5516 5.4505 5.5463 5.6154 5.6456 5.8496 5.8857 5.9175 5.9378 6.1979 6.2271 6.2603 6.2627 6.5886 6.6548 6.6890 6.7033 7.7429 7.7480 7.8163 7.8427 11.4522 11.5479 11.7939 11.8620 13.2369 13.3653 13.5896 13.6183 14.3517 14.3837 k = 0.5775 0.3300-0.0542 ( 4136 PWs) bands (ev): -10.3610 -10.3596 -10.3295 -10.3223 -9.2783 -9.2725 -9.1196 -9.1175 -8.8327 -8.8289 -8.6860 -8.6817 -1.4698 -1.4645 -1.3388 -1.3379 2.0953 2.1036 2.1542 2.1571 3.3903 3.4419 3.6070 3.6129 3.8499 3.8919 3.9597 4.0389 4.3392 4.3588 4.5381 4.5575 5.4455 5.5376 5.5998 5.6256 5.8834 5.9056 5.9511 5.9839 6.2062 6.2397 6.2607 6.2657 6.5849 6.6430 6.6930 6.7076 7.7549 7.7569 7.8141 7.8409 11.4684 11.5571 11.7788 11.8409 13.2517 13.3762 13.5899 13.6165 14.3882 14.4204 k = 0.5727 0.3273-0.0382 ( 4134 PWs) bands (ev): -10.3703 -10.3696 -10.3459 -10.3393 -9.2501 -9.2436 -9.1071 -9.1049 -8.8273 -8.8240 -8.6967 -8.6922 -1.4614 -1.4564 -1.3503 -1.3493 2.0871 2.0964 2.1465 2.1468 3.3863 3.4339 3.5762 3.5867 3.8318 3.8719 3.9257 3.9996 4.3748 4.3999 4.5504 4.5676 5.4357 5.5220 5.5783 5.6003 5.9151 5.9265 5.9889 6.0256 6.2136 6.2519 6.2677 6.2779 6.5866 6.6349 6.6996 6.7132 7.7637 7.7641 7.8113 7.8379 11.4811 11.5621 11.7621 11.8184 13.2718 13.3906 13.5927 13.6177 14.4247 14.4563 k = 0.5678 0.3245-0.0222 ( 4130 PWs) bands (ev): -10.3799 -10.3798 -10.3613 -10.3552 -9.2217 -9.2147 -9.0943 -9.0919 -8.8229 -8.8201 -8.7076 -8.7030 -1.4539 -1.4491 -1.3609 -1.3599 2.0805 2.0900 2.1380 2.1394 3.3809 3.4236 3.5463 3.5606 3.8113 3.8494 3.8914 3.9599 4.4128 4.4418 4.5670 4.5817 5.4221 5.5020 5.5524 5.5712 5.9408 5.9462 6.0253 6.0553 6.2232 6.2691 6.2855 6.2986 6.5930 6.6319 6.7070 6.7195 7.7684 7.7708 7.8078 7.8338 11.4903 11.5631 11.7440 11.7947 13.2969 13.4081 13.5981 13.6216 14.4606 14.4908 k = 0.5630 0.3217-0.0063 ( 4131 PWs) bands (ev): -10.3899 -10.3896 -10.3757 -10.3702 -9.1932 -9.1858 -9.0812 -9.0787 -8.8194 -8.8171 -8.7190 -8.7143 -1.4472 -1.4427 -1.3707 -1.3697 2.0757 2.0846 2.1306 2.1330 3.3745 3.4117 3.5173 3.5345 3.7892 3.8250 3.8571 3.9202 4.4527 4.4844 4.5875 4.5998 5.4056 5.4790 5.5232 5.5395 5.9584 5.9618 6.0535 6.0698 6.2409 6.2963 6.3132 6.3281 6.6032 6.6337 6.7145 6.7262 7.7712 7.7747 7.8037 7.8285 11.4964 11.5607 11.7249 11.7702 13.3260 13.4284 13.6058 13.6281 14.4953 14.5233 k = 0.5581 0.3189 0.0097 ( 4131 PWs) bands (ev): -10.3998 -10.3992 -10.3891 -10.3841 -9.1649 -9.1573 -9.0678 -9.0651 -8.8170 -8.8152 -8.7307 -8.7259 -1.4413 -1.4371 -1.3796 -1.3785 2.0725 2.0805 2.1246 2.1273 3.3672 3.3988 3.4897 3.5087 3.7663 3.7996 3.8231 3.8807 4.4941 4.5274 4.6115 4.6215 5.3869 5.4538 5.4917 5.5059 5.9681 5.9716 6.0679 6.0713 6.2715 6.3305 6.3518 6.3651 6.6162 6.6395 6.7220 6.7329 7.7721 7.7760 7.7991 7.8220 11.4997 11.5555 11.7049 11.7450 13.3585 13.4507 13.6156 13.6366 14.5284 14.5535 k = 0.5533 0.3162 0.0257 ( 4133 PWs) bands (ev): -10.4093 -10.4085 -10.4015 -10.3970 -9.1370 -9.1292 -9.0540 -9.0512 -8.8157 -8.8145 -8.7427 -8.7378 -1.4362 -1.4324 -1.3875 -1.3865 2.0708 2.0777 2.1198 2.1226 3.3592 3.3853 3.4634 3.4832 3.7430 3.7737 3.7899 3.8417 4.5367 4.5707 4.6386 4.6464 5.3666 5.4268 5.4585 5.4708 5.9716 5.9758 6.0649 6.0690 6.3141 6.3694 6.3981 6.4073 6.6309 6.6481 6.7290 6.7393 7.7711 7.7747 7.7941 7.8144 11.5007 11.5481 11.6844 11.7194 13.3934 13.4747 13.6270 13.6470 14.5594 14.5811 k = 0.5484 0.3134 0.0416 ( 4132 PWs) bands (ev): -10.4184 -10.4174 -10.4128 -10.4088 -9.1097 -9.1018 -9.0401 -9.0371 -8.8155 -8.8149 -8.7551 -8.7501 -1.4320 -1.4285 -1.3946 -1.3935 2.0705 2.0761 2.1162 2.1187 3.3509 3.3719 3.4389 3.4584 3.7198 3.7478 3.7577 3.8036 4.5804 4.6141 4.6683 4.6743 5.3447 5.3983 5.4242 5.4347 5.9709 5.9754 6.0541 6.0613 6.3640 6.4120 6.4471 6.4523 6.6468 6.6587 6.7356 6.7454 7.7684 7.7712 7.7886 7.8058 11.5000 11.5394 11.6638 11.6938 13.4297 13.4996 13.6397 13.6585 14.5879 14.6057 k = 0.5436 0.3106 0.0576 ( 4126 PWs) bands (ev): -10.4269 -10.4258 -10.4230 -10.4195 -9.0831 -9.0753 -9.0259 -9.0228 -8.8166 -8.8166 -8.7677 -8.7627 -1.4286 -1.4255 -1.4007 -1.3996 2.0714 2.0758 2.1135 2.1156 3.3425 3.3590 3.4163 3.4345 3.6973 3.7226 3.7270 3.7670 4.6248 4.6573 4.7001 4.7046 5.3215 5.3683 5.3889 5.3977 5.9675 5.9718 6.0412 6.0488 6.4169 6.4570 6.4958 6.4981 6.6632 6.6706 6.7415 6.7510 7.7643 7.7658 7.7824 7.7963 11.4980 11.5300 11.6432 11.6684 13.4666 13.5248 13.6532 13.6707 14.6136 14.6271 k = 0.5388 0.3079 0.0736 ( 4124 PWs) bands (ev): -10.4348 -10.4335 -10.4322 -10.4291 -9.0573 -9.0497 -9.0115 -9.0083 -8.8195 -8.8189 -8.7807 -8.7756 -1.4259 -1.4232 -1.4059 -1.4049 2.0734 2.0766 2.1116 2.1132 3.3343 3.3468 3.3956 3.4118 3.6758 3.6982 3.6984 3.7325 4.6698 4.7003 4.7335 4.7371 5.2970 5.3370 5.3530 5.3601 5.9628 5.9664 6.0275 6.0343 6.4697 6.5025 6.5421 6.5427 6.6798 6.6832 6.7467 6.7560 7.7588 7.7592 7.7753 7.7861 11.4953 11.5206 11.6231 11.6437 13.5030 13.5500 13.6669 13.6829 14.6363 14.6454 k = 0.5339 0.3051 0.0895 ( 4126 PWs) bands (ev): -10.4418 -10.4406 -10.4402 -10.4376 -9.0326 -9.0251 -8.9970 -8.9937 -8.8237 -8.8225 -8.7940 -8.7888 -1.4240 -1.4216 -1.4102 -1.4092 2.0762 2.0784 2.1103 2.1115 3.3264 3.3357 3.3772 3.3908 3.6556 3.6717 3.6756 3.7004 4.7151 4.7428 4.7683 4.7713 5.2713 5.3044 5.3165 5.3221 5.9577 5.9604 6.0138 6.0192 6.5208 6.5471 6.5844 6.5845 6.6961 6.6966 6.7512 6.7603 7.7519 7.7523 7.7674 7.7754 11.4925 11.5119 11.6036 11.6199 13.5383 13.5747 13.6801 13.6943 14.6558 14.6604 k = 0.5291 0.3023 0.1055 ( 4126 PWs) bands (ev): -10.4481 -10.4472 -10.4469 -10.4450 -9.0089 -9.0018 -8.9824 -8.9790 -8.8293 -8.8274 -8.8075 -8.8023 -1.4226 -1.4206 -1.4138 -1.4128 2.0796 2.0810 2.1094 2.1102 3.3192 3.3259 3.3609 3.3717 3.6371 3.6479 3.6546 3.6716 4.7604 4.7846 4.8039 4.8069 5.2444 5.2706 5.2797 5.2837 5.9527 5.9545 6.0005 6.0044 6.5684 6.5892 6.6214 6.6220 6.7095 6.7137 6.7550 6.7641 7.7444 7.7453 7.7590 7.7645 11.4902 11.5043 11.5851 11.5974 13.5717 13.5985 13.6922 13.7041 14.6720 14.6723 k = 0.5242 0.2996 0.1214 ( 4130 PWs) bands (ev): -10.4535 -10.4530 -10.4524 -10.4513 -8.9864 -8.9797 -8.9676 -8.9643 -8.8363 -8.8337 -8.8212 -8.8159 -1.4217 -1.4201 -1.4165 -1.4156 2.0833 2.0842 2.1086 2.1091 3.3129 3.3176 3.3468 3.3546 3.6207 3.6273 3.6359 3.6465 4.8055 4.8255 4.8402 4.8435 5.2164 5.2358 5.2426 5.2452 5.9484 5.9494 5.9881 5.9906 6.6113 6.6271 6.6521 6.6536 6.7234 6.7309 6.7582 6.7675 7.7372 7.7382 7.7502 7.7539 11.4887 11.4984 11.5677 11.5764 13.6026 13.6210 13.7023 13.7118 14.6814 14.6850 k = 0.5194 0.2968 0.1374 ( 4134 PWs) bands (ev): -10.4580 -10.4578 -10.4570 -10.4564 -8.9652 -8.9591 -8.9529 -8.9496 -8.8447 -8.8413 -8.8351 -8.8298 -1.4213 -1.4201 -1.4185 -1.4178 2.0873 2.0877 2.1078 2.1080 3.3079 3.3110 3.3348 3.3399 3.6066 3.6101 3.6198 3.6255 4.8499 4.8653 4.8766 4.8804 5.1874 5.2003 5.2055 5.2070 5.9450 5.9455 5.9768 5.9783 6.6482 6.6595 6.6760 6.6782 6.7378 6.7479 6.7611 6.7708 7.7306 7.7315 7.7417 7.7440 11.4884 11.4946 11.5516 11.5573 13.6305 13.6420 13.7099 13.7168 14.6878 14.6950 k = 0.5145 0.2940 0.1534 ( 4139 PWs) bands (ev): -10.4615 -10.4614 -10.4607 -10.4604 -8.9454 -8.9399 -8.9382 -8.9349 -8.8544 -8.8503 -8.8492 -8.8437 -1.4211 -1.4203 -1.4199 -1.4193 2.0912 2.0914 2.1067 2.1068 3.3045 3.3063 3.3248 3.3276 3.5951 3.5967 3.6066 3.6091 4.8931 4.9038 4.9127 4.9166 5.1579 5.1647 5.1685 5.1696 5.9430 5.9432 5.9669 5.9676 6.6776 6.6845 6.6939 6.6957 6.7517 6.7631 6.7640 6.7745 7.7252 7.7259 7.7340 7.7352 11.4897 11.4931 11.5372 11.5404 13.6548 13.6611 13.7143 13.7186 14.6920 14.6957 k = 0.5097 0.2913 0.1693 ( 4143 PWs) bands (ev): -10.4640 -10.4639 -10.4634 -10.4633 -8.9270 -8.9236 -8.9224 -8.9206 -8.8656 -8.8634 -8.8604 -8.8574 -1.4211 -1.4208 -1.4205 -1.4203 2.0949 2.0949 2.1053 2.1053 3.3029 3.3038 3.3166 3.3178 3.5866 3.5871 3.5967 3.5975 4.9338 4.9400 4.9470 4.9504 5.1289 5.1304 5.1326 5.1342 5.9426 5.9426 5.9585 5.9587 6.6984 6.7013 6.7066 6.7073 6.7629 6.7672 6.7749 6.7786 7.7215 7.7218 7.7275 7.7280 11.4927 11.4942 11.5244 11.5259 13.6753 13.6781 13.7150 13.7171 14.6944 14.6956 k = 0.5048 0.2885 0.1853 ( 4144 PWs) bands (ev): -10.4654 -10.4654 -10.4651 -10.4651 -8.9105 -8.9094 -8.9076 -8.9073 -8.8777 -8.8773 -8.8709 -8.8703 -1.4212 -1.4211 -1.4209 -1.4209 2.0982 2.0982 2.1034 2.1034 3.3033 3.3036 3.3102 3.3105 3.5813 3.5814 3.5905 3.5906 4.9689 4.9710 4.9759 4.9776 5.1007 5.1013 5.1037 5.1047 5.9438 5.9438 5.9518 5.9518 6.7104 6.7109 6.7138 6.7138 6.7699 6.7705 6.7820 6.7825 7.7197 7.7198 7.7228 7.7229 11.4976 11.4980 11.5135 11.5139 13.6917 13.6924 13.7116 13.7121 14.6956 14.6957 k = 0.5000 0.2857 0.2013 ( 4146 PWs) bands (ev): -10.4658 -10.4658 -10.4658 -10.4658 -8.8999 -8.8999 -8.8999 -8.8999 -8.8868 -8.8868 -8.8774 -8.8774 -1.4211 -1.4211 -1.4211 -1.4211 2.1010 2.1010 2.1011 2.1011 3.3058 3.3058 3.3058 3.3058 3.5795 3.5795 3.5883 3.5883 4.9873 4.9873 4.9873 4.9873 5.0866 5.0866 5.0918 5.0918 5.9469 5.9469 5.9469 5.9469 6.7150 6.7150 6.7150 6.7150 6.7721 6.7721 6.7843 6.7843 7.7201 7.7201 7.7201 7.7201 11.5046 11.5046 11.5046 11.5046 13.7038 13.7038 13.7038 13.7038 14.6958 14.6958 k = 0.5000-0.2946-0.2075 ( 4128 PWs) bands (ev): -10.4404 -10.4404 -10.4119 -10.4119 -8.9795 -8.9795 -8.9699 -8.9699 -8.8693 -8.8693 -8.8602 -8.8602 -1.2766 -1.2766 -1.2765 -1.2765 1.8736 1.8736 1.8763 1.8763 3.0798 3.0798 3.2659 3.2659 3.6924 3.6924 3.7285 3.7285 4.5738 4.5738 4.5802 4.5802 5.1160 5.1160 5.1345 5.1345 6.4645 6.4645 6.5667 6.5667 6.7163 6.7163 6.7239 6.7239 6.9096 6.9096 6.9250 6.9250 7.4608 7.4608 7.5024 7.5024 11.3980 11.3980 11.6616 11.6616 13.8110 13.8110 13.9170 13.9170 15.0303 15.0303 k = 0.5101-0.2832-0.1995 ( 4128 PWs) bands (ev): -10.4399 -10.4398 -10.4118 -10.4110 -8.9949 -8.9852 -8.9654 -8.9554 -8.8848 -8.8763 -8.8540 -8.8447 -1.2800 -1.2797 -1.2739 -1.2739 1.8684 1.8696 1.8805 1.8847 3.0652 3.0970 3.2602 3.2734 3.6714 3.7063 3.7169 3.7545 4.5383 4.5422 4.6088 4.6184 5.0820 5.1004 5.1498 5.1683 6.4586 6.4659 6.5539 6.5761 6.7114 6.7118 6.7209 6.7351 6.9061 6.9102 6.9214 6.9258 7.4585 7.4635 7.5018 7.5033 11.3915 11.4068 11.6565 11.6690 13.7770 13.8423 13.8774 13.9544 15.0128 15.0344 k = 0.5202-0.2718-0.1914 ( 4127 PWs) bands (ev): -10.4385 -10.4381 -10.4106 -10.4091 -9.0113 -9.0012 -8.9529 -8.9417 -8.9000 -8.8930 -8.8392 -8.8300 -1.2841 -1.2835 -1.2718 -1.2716 1.8645 1.8649 1.8889 1.8946 3.0534 3.1168 3.2562 3.2828 3.6540 3.6883 3.7449 3.7840 4.5025 4.5045 4.6432 4.6566 5.0477 5.0659 5.1831 5.2015 6.4483 6.4626 6.5378 6.5815 6.6990 6.7063 6.7251 6.7451 6.8998 6.9080 6.9150 6.9237 7.4566 7.4667 7.5017 7.5047 11.3871 11.4178 11.6535 11.6786 13.7408 13.8362 13.8701 13.9891 14.9911 15.0121 k = 0.5302-0.2603-0.1834 ( 4134 PWs) bands (ev): -10.4360 -10.4355 -10.4084 -10.4063 -9.0288 -9.0181 -8.9444 -8.9292 -8.9126 -8.9098 -8.8249 -8.8160 -1.2889 -1.2881 -1.2701 -1.2697 1.8613 1.8631 1.8988 1.9060 3.0445 3.1390 3.2539 3.2940 3.6402 3.6746 3.7762 3.8167 4.4665 4.4672 4.6768 4.6947 5.0134 5.0312 5.2160 5.2341 6.4337 6.4544 6.5185 6.5819 6.6862 6.7009 6.7287 6.7536 6.8909 6.9032 6.9063 6.9186 7.4550 7.4703 7.5020 7.5066 11.3846 11.4311 11.6523 11.6906 13.7031 13.7938 13.8941 14.0205 14.9657 14.9858 k = 0.5403-0.2489-0.1753 ( 4133 PWs) bands (ev): -10.4326 -10.4318 -10.4051 -10.4026 -9.0473 -9.0358 -8.9470 -8.9294 -8.9153 -8.9152 -8.8111 -8.8027 -1.2946 -1.2935 -1.2686 -1.2682 1.8598 1.8631 1.9100 1.9187 3.0385 3.1635 3.2530 3.3073 3.6301 3.6652 3.8104 3.8520 4.4304 4.4305 4.7095 4.7326 4.9793 4.9968 5.2484 5.2660 6.4147 6.4413 6.4961 6.5760 6.6746 6.6953 6.7314 6.7602 6.8798 6.8955 6.8964 6.9110 7.4537 7.4747 7.5028 7.5090 11.3838 11.4465 11.6528 11.7047 13.6643 13.7507 13.9135 14.0483 14.9372 14.9560 k = 0.5504-0.2375-0.1673 ( 4135 PWs) bands (ev): -10.4283 -10.4270 -10.4008 -10.3981 -9.0669 -9.0545 -8.9601 -8.9467 -8.9085 -8.9048 -8.7979 -8.7901 -1.3011 -1.2997 -1.2674 -1.2669 1.8603 1.8650 1.9227 1.9327 3.0355 3.1901 3.2536 3.3225 3.6234 3.6601 3.8474 3.8894 4.3946 4.3947 4.7408 4.7701 4.9458 4.9632 5.2802 5.2972 6.3914 6.4231 6.4706 6.5626 6.6648 6.6891 6.7330 6.7643 6.8671 6.8830 6.8885 6.9014 7.4527 7.4799 7.5041 7.5121 11.3844 11.4640 11.6546 11.7209 13.6251 13.7075 13.9278 14.0719 14.9064 14.9232 k = 0.5605-0.2260-0.1592 ( 4129 PWs) bands (ev): -10.4232 -10.4211 -10.3954 -10.3927 -9.0876 -9.0741 -8.9760 -8.9647 -8.8999 -8.8947 -8.7852 -8.7781 -1.3086 -1.3068 -1.2663 -1.2657 1.8628 1.8689 1.9365 1.9480 3.0355 3.2186 3.2556 3.3396 3.6199 3.6591 3.8867 3.9285 4.3591 4.3602 4.7694 4.8057 4.9144 4.9316 5.3114 5.3277 6.3637 6.4001 6.4420 6.5413 6.6567 6.6823 6.7330 6.7645 6.8536 6.8693 6.8807 6.8904 7.4522 7.4861 7.5058 7.5161 11.3861 11.4834 11.6572 11.7390 13.5860 13.6644 13.9368 14.0909 14.8737 14.8880 k = 0.5705-0.2146-0.1512 ( 4133 PWs) bands (ev): -10.4172 -10.4142 -10.3890 -10.3866 -9.1094 -9.0947 -8.9925 -8.9827 -8.8917 -8.8856 -8.7729 -8.7666 -1.3170 -1.3149 -1.2653 -1.2647 1.8673 1.8748 1.9516 1.9643 3.0386 3.2490 3.2590 3.3587 3.6195 3.6618 3.9280 3.9685 4.3244 4.3274 4.7919 4.8322 4.8926 4.9057 5.3420 5.3575 6.3316 6.3723 6.4104 6.5129 6.6494 6.6744 6.7304 6.7594 6.8400 6.8548 6.8745 6.8792 7.4520 7.4933 7.5081 7.5209 11.3885 11.5044 11.6603 11.7587 13.5475 13.6221 13.9400 14.1051 14.8395 14.8506 k = 0.5806-0.2032-0.1431 ( 4141 PWs) bands (ev): -10.4106 -10.4061 -10.3815 -10.3798 -9.1322 -9.1163 -9.0090 -9.0004 -8.8844 -8.8777 -8.7611 -8.7555 -1.3264 -1.3239 -1.2643 -1.2636 1.8740 1.8827 1.9676 1.9816 3.0448 3.2637 3.2809 3.3796 3.6217 3.6677 3.9707 4.0085 4.2907 4.2973 4.7992 4.8253 4.8951 4.9049 5.3718 5.3865 6.2952 6.3400 6.3759 6.4782 6.6416 6.6653 6.7239 6.7475 6.8271 6.8404 6.8687 6.8712 7.4523 7.5017 7.5109 7.5269 11.3911 11.5268 11.6633 11.7797 13.5100 13.5810 13.9375 14.1141 14.8039 14.8112 k = 0.5907-0.1918-0.1351 ( 4137 PWs) bands (ev): -10.4034 -10.3970 -10.3730 -10.3723 -9.1561 -9.1390 -9.0252 -9.0179 -8.8781 -8.8709 -8.7496 -8.7448 -1.3367 -1.3339 -1.2632 -1.2624 1.8829 1.8929 1.9846 1.9997 3.0539 3.2697 3.3142 3.4023 3.6262 3.6761 4.0143 4.0474 4.2585 4.2710 4.7848 4.7981 4.9063 4.9386 5.4008 5.4146 6.2546 6.3038 6.3389 6.4380 6.6324 6.6546 6.7122 6.7290 6.8153 6.8273 6.8597 6.8712 7.4532 7.5115 7.5143 7.5342 11.3936 11.5503 11.6657 11.8018 13.4742 13.5414 13.9294 14.1180 14.7668 14.7699 k = 0.6008-0.1803-0.1270 ( 4143 PWs) bands (ev): -10.3956 -10.3868 -10.3648 -10.3631 -9.1808 -9.1627 -9.0411 -9.0348 -8.8730 -8.8653 -8.7384 -8.7344 -1.3480 -1.3448 -1.2619 -1.2611 1.8939 1.9053 2.0022 2.0184 3.0660 3.2769 3.3486 3.4267 3.6324 3.6862 4.0581 4.0829 4.2283 4.2505 4.7587 4.7677 4.9297 4.9767 5.4289 5.4419 6.2100 6.2642 6.2995 6.3929 6.6212 6.6421 6.6942 6.7050 6.8044 6.8163 6.8528 6.8739 7.4547 7.5182 7.5226 7.5428 11.3955 11.5746 11.6668 11.8244 13.4404 13.5039 13.9163 14.1169 14.7265 14.7278 k = 0.6108-0.1689-0.1190 ( 4145 PWs) bands (ev): -10.3874 -10.3756 -10.3566 -10.3524 -9.2063 -9.1872 -9.0566 -9.0512 -8.8691 -8.8611 -8.7275 -8.7242 -1.3602 -1.3566 -1.2603 -1.2595 1.9072 1.9199 2.0204 2.0375 3.0810 3.2854 3.3840 3.4526 3.6398 3.6972 4.1012 4.1111 4.2009 4.2399 4.7291 4.7376 4.9577 5.0163 5.4559 5.4682 6.1618 6.2218 6.2583 6.3436 6.6072 6.6276 6.6700 6.6770 6.7943 6.8073 6.8483 6.8787 7.4569 7.5226 7.5352 7.5529 11.3962 11.5993 11.6662 11.8473 13.4092 13.4688 13.8987 14.1113 14.6808 14.6864 k = 0.6209-0.1575-0.1109 ( 4143 PWs) bands (ev): -10.3790 -10.3633 -10.3483 -10.3407 -9.2323 -9.2124 -9.0716 -9.0671 -8.8665 -8.8582 -8.7167 -8.7141 -1.3733 -1.3693 -1.2584 -1.2576 1.9228 1.9367 2.0389 2.0567 3.0987 3.2950 3.4201 3.4798 3.6477 3.7081 4.1268 4.1410 4.1788 4.2445 4.6992 4.7086 4.9874 5.0566 5.4815 5.4935 6.1104 6.1776 6.2158 6.2907 6.5899 6.6107 6.6411 6.6466 6.7849 6.7996 6.8462 6.8846 7.4598 7.5275 7.5492 7.5644 11.3954 11.6242 11.6631 11.8699 13.3809 13.4367 13.8777 14.1015 14.6327 14.6423 k = 0.6310-0.1460-0.1029 ( 4145 PWs) bands (ev): -10.3704 -10.3499 -10.3399 -10.3280 -9.2586 -9.2382 -9.0861 -9.0823 -8.8650 -8.8566 -8.7062 -8.7043 -1.3871 -1.3828 -1.2562 -1.2553 1.9407 1.9559 2.0573 2.0757 3.1189 3.3054 3.4564 3.5083 3.6555 3.7184 4.1301 4.1493 4.1897 4.2638 4.6705 4.6814 5.0181 5.0975 5.5054 5.5176 6.0566 6.1323 6.1727 6.2349 6.5679 6.5900 6.6099 6.6157 6.7762 6.7926 6.8463 6.8914 7.4633 7.5329 7.5646 7.5775 11.3927 11.6490 11.6572 11.8918 13.3559 13.4078 13.8542 14.0884 14.5821 14.5955 k = 0.6411-0.1346-0.0948 ( 4139 PWs) bands (ev): -10.3619 -10.3356 -10.3317 -10.3142 -9.2849 -9.2641 -9.1001 -9.0969 -8.8648 -8.8562 -8.6959 -8.6945 -1.4017 -1.3970 -1.2535 -1.2527 1.9608 1.9773 2.0753 2.0943 3.1416 3.3164 3.4927 3.5377 3.6627 3.7275 4.1277 4.1343 4.2249 4.2907 4.6441 4.6567 5.0494 5.1386 5.5269 5.5402 6.0011 6.0872 6.1294 6.1769 6.5400 6.5612 6.5818 6.5862 6.7679 6.7857 6.8479 6.8986 7.4676 7.5385 7.5813 7.5920 11.3876 11.6478 11.6732 11.9126 13.3345 13.3826 13.8294 14.0725 14.5294 14.5464 k = 0.6511-0.1232-0.0868 ( 4136 PWs) bands (ev): -10.3536 -10.3238 -10.3203 -10.2996 -9.3110 -9.2901 -9.1136 -9.1109 -8.8657 -8.8570 -8.6858 -8.6849 -1.4168 -1.4119 -1.2505 -1.2496 1.9830 2.0010 2.0925 2.1120 3.1663 3.3277 3.5283 3.5678 3.6690 3.7354 4.1220 4.1245 4.2578 4.3194 4.6211 4.6351 5.0810 5.1796 5.5452 5.5610 5.9448 6.0438 6.0862 6.1185 6.5062 6.5243 6.5579 6.5588 6.7600 6.7790 6.8506 6.9060 7.4724 7.5443 7.5992 7.6079 11.3801 11.6347 11.6968 11.9319 13.3170 13.3613 13.8044 14.0545 14.4753 14.4956 k = 0.6612-0.1118-0.0787 ( 4133 PWs) bands (ev): -10.3457 -10.3165 -10.3040 -10.2839 -9.3366 -9.3156 -9.1265 -9.1243 -8.8678 -8.8590 -8.6758 -8.6755 -1.4325 -1.4272 -1.2469 -1.2460 2.0074 2.0268 2.1086 2.1283 3.1929 3.3388 3.5624 3.5982 3.6748 3.7426 4.1135 4.1220 4.2857 4.3468 4.6025 4.6172 5.1126 5.2200 5.5588 5.5795 5.8888 6.0042 6.0400 6.0646 6.4683 6.4840 6.5325 6.5341 6.7523 6.7721 6.8541 6.9135 7.4777 7.5502 7.6182 7.6250 11.3698 11.6177 11.7193 11.9492 13.3035 13.3443 13.7801 14.0349 14.4206 14.4441 k = 0.6713-0.1003-0.0707 ( 4135 PWs) bands (ev): -10.3386 -10.3101 -10.2868 -10.2674 -9.3612 -9.3406 -9.1389 -9.1372 -8.8708 -8.8621 -8.6662 -8.6661 -1.4486 -1.4431 -1.2428 -1.2419 2.0337 2.0546 2.1231 2.1430 3.2210 3.3495 3.5934 3.6287 3.6816 3.7498 4.1087 4.1201 4.3077 4.3715 4.5893 4.6036 5.1440 5.2590 5.5660 5.5952 5.8345 5.9709 5.9845 6.0235 6.4281 6.4424 6.5060 6.5094 6.7446 6.7650 6.8579 6.9209 7.4833 7.5558 7.6381 7.6434 11.3569 11.5965 11.7406 11.9642 13.2940 13.3317 13.7576 14.0140 14.3667 14.3929 k = 0.6814-0.0889-0.0626 ( 4136 PWs) bands (ev): -10.3325 -10.3050 -10.2687 -10.2500 -9.3846 -9.3645 -9.1508 -9.1494 -8.8749 -8.8662 -8.6571 -8.6567 -1.4651 -1.4593 -1.2381 -1.2372 2.0617 2.0839 2.1359 2.1556 3.2500 3.3595 3.6186 3.6588 3.6922 3.7577 4.1064 4.1180 4.3233 4.3924 4.5820 4.5947 5.1746 5.2956 5.5652 5.6075 5.7833 5.9248 5.9467 5.9929 6.3871 6.4005 6.4787 6.4836 6.7369 6.7577 6.8620 6.9281 7.4891 7.5610 7.6588 7.6627 11.3413 11.5715 11.7606 11.9767 13.2884 13.3236 13.7374 13.9918 14.3149 14.3432 k = 0.6914-0.0775-0.0546 ( 4137 PWs) bands (ev): -10.3276 -10.3013 -10.2497 -10.2317 -9.4062 -9.3869 -9.1621 -9.1610 -8.8798 -8.8712 -8.6482 -8.6475 -1.4816 -1.4757 -1.2328 -1.2318 2.0907 2.1132 2.1479 2.1662 3.2793 3.3687 3.6358 3.6883 3.7092 3.7669 4.1055 4.1149 4.3333 4.4088 4.5802 4.5906 5.2034 5.3278 5.5558 5.6158 5.7370 5.8653 5.9336 5.9707 6.3463 6.3591 6.4505 6.4566 6.7290 6.7501 6.8660 6.9351 7.4947 7.5656 7.6800 7.6828 11.3233 11.5428 11.7792 11.9864 13.2866 13.3201 13.7202 13.9682 14.2666 14.2959 k = 0.7015-0.0660-0.0465 ( 4138 PWs) bands (ev): -10.3243 -10.2994 -10.2299 -10.2127 -9.4258 -9.4076 -9.1728 -9.1720 -8.8855 -8.8771 -8.6396 -8.6386 -1.4983 -1.4922 -1.2269 -1.2259 2.1192 2.1354 2.1655 2.1757 3.3084 3.3771 3.6466 3.7165 3.7314 3.7777 4.1047 4.1103 4.3394 4.4203 4.5825 4.5909 5.2293 5.3528 5.5398 5.6204 5.6978 5.8079 5.9319 5.9573 6.3065 6.3191 6.4214 6.4285 6.7208 6.7421 6.8698 6.9416 7.5001 7.5693 7.7015 7.7036 11.3034 11.5109 11.7963 11.9933 13.2882 13.3210 13.7063 13.9428 14.2234 14.2522 k = 0.7116-0.0546-0.0385 ( 4132 PWs) bands (ev): -10.3230 -10.2998 -10.2093 -10.1929 -9.4429 -9.4261 -9.1830 -9.1824 -8.8920 -8.8838 -8.6312 -8.6299 -1.5148 -1.5087 -1.2203 -1.2193 2.1417 2.1429 2.1888 2.1958 3.3363 3.3848 3.6552 3.7429 3.7550 3.7898 4.1031 4.1044 4.3434 4.4267 4.5873 4.5944 5.2508 5.3662 5.5214 5.6216 5.6689 5.7548 5.9402 5.9526 6.2687 6.2814 6.3914 6.3995 6.7122 6.7337 6.8733 6.9477 7.5048 7.5717 7.7231 7.7247 11.2820 11.4764 11.8122 11.9976 13.2928 13.3261 13.6959 13.9153 14.1867 14.2131 k = 0.7217-0.0432-0.0304 ( 4128 PWs) bands (ev): -10.3239 -10.3026 -10.1880 -10.1723 -9.4571 -9.4420 -9.1926 -9.1923 -8.8992 -8.8911 -8.6231 -8.6216 -1.5312 -1.5250 -1.2130 -1.2119 2.1418 2.1505 2.2128 2.2318 3.3620 3.3922 3.6646 3.7661 3.7772 3.8033 4.0978 4.1002 4.3467 4.4279 4.5930 4.5999 5.2664 5.3641 5.5051 5.6196 5.6537 5.7096 5.9558 5.9559 6.2336 6.2468 6.3607 6.3697 6.7032 6.7247 6.8763 6.9532 7.5085 7.5727 7.7445 7.7460 11.2597 11.4401 11.8268 11.9993 13.3002 13.3353 13.6887 13.8857 14.1571 14.1793 k = 0.7317-0.0317-0.0224 ( 4134 PWs) bands (ev): -10.3273 -10.3082 -10.1660 -10.1511 -9.4682 -9.4550 -9.2016 -9.2015 -8.9069 -8.8991 -8.6153 -8.6135 -1.5473 -1.5411 -1.2049 -1.2039 2.1349 2.1474 2.2454 2.2704 3.3845 3.3992 3.6768 3.7834 3.7962 3.8190 4.0912 4.0959 4.3500 4.4246 4.5986 4.6060 5.2747 5.3474 5.4920 5.6092 5.6537 5.6806 5.9653 5.9766 6.2023 6.2164 6.3293 6.3393 6.6938 6.7152 6.8787 6.9580 7.5110 7.5719 7.7654 7.7671 11.2372 11.4027 11.8405 11.9989 13.3098 13.3481 13.6845 13.8547 14.1349 14.1519 k = 0.7418-0.0203-0.0143 ( 4136 PWs) bands (ev): -10.3335 -10.3167 -10.1433 -10.1293 -9.4759 -9.4648 -9.2100 -9.2100 -8.9152 -8.9076 -8.6079 -8.6058 -1.5629 -1.5568 -1.1961 -1.1951 2.1230 2.1370 2.2816 2.3106 3.4028 3.4058 3.6922 3.7928 3.8112 3.8372 4.0855 4.0906 4.3532 4.4172 4.6037 4.6115 5.2756 5.3213 5.4827 5.5859 5.6662 5.6756 5.9795 5.9999 6.1755 6.1915 6.2976 6.3083 6.6838 6.7052 6.8804 6.9621 7.5121 7.5692 7.7857 7.7879 11.2154 11.3652 11.8535 11.9968 13.3215 13.3643 13.6828 13.8233 14.1193 14.1313 k = 0.7519-0.0089-0.0063 ( 4138 PWs) bands (ev): -10.3426 -10.3283 -10.1200 -10.1069 -9.4800 -9.4712 -9.2180 -9.2178 -8.9239 -8.9166 -8.6007 -8.5985 -1.5780 -1.5720 -1.1866 -1.1855 2.1060 2.1208 2.3194 2.3519 3.4116 3.4159 3.7108 3.7948 3.8219 3.8555 4.0811 4.0843 4.3560 4.4070 4.6083 4.6161 5.2697 5.2906 5.4791 5.5588 5.6865 5.6866 5.9964 6.0233 6.1543 6.1738 6.2657 6.2769 6.6733 6.6945 6.8813 6.9652 7.5113 7.5642 7.8049 7.8081 11.1950 11.3285 11.8663 11.9935 13.3349 13.3835 13.6831 13.7930 14.1095 14.1182 Writing output data file AlBiO3.save init_run : 3.91s CPU 12.05s WALL ( 1 calls) electrons : 886.79s CPU 895.55s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.39s CPU 1.94s WALL ( 1 calls) Called by electrons: c_bands : 886.77s CPU 895.30s WALL ( 1 calls) v_of_rho : 0.17s CPU 0.91s WALL ( 1 calls) v_h : 0.00s CPU 0.06s WALL ( 1 calls) v_xc : 0.16s CPU 0.59s WALL ( 1 calls) newd : 0.44s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 265 calls) cegterg : 823.10s CPU 829.00s WALL ( 648 calls) Called by sum_band: Called by *egterg: h_psi : 303.18s CPU 311.48s WALL ( 11639 calls) s_psi : 32.18s CPU 32.46s WALL ( 11639 calls) g_psi : 0.76s CPU 0.78s WALL ( 10726 calls) cdiaghg : 364.34s CPU 362.20s WALL ( 10991 calls) cegterg:over : 72.14s CPU 69.29s WALL ( 10726 calls) cegterg:upda : 15.22s CPU 18.43s WALL ( 10726 calls) cegterg:last : 11.80s CPU 12.40s WALL ( 1708 calls) Called by h_psi: h_psi:vloc : 225.62s CPU 232.10s WALL ( 11639 calls) h_psi:vnl : 77.31s CPU 78.62s WALL ( 11639 calls) add_vuspsi : 25.62s CPU 29.51s WALL ( 11639 calls) General routines calbec : 51.65s CPU 49.01s WALL ( 11639 calls) fft : 0.21s CPU 1.32s WALL ( 19 calls) ffts : 0.03s CPU 0.54s WALL ( 4 calls) fftw : 212.00s CPU 217.41s WALL ( 1288080 calls) interpolate : 0.06s CPU 0.59s WALL ( 4 calls) davcio : 0.02s CPU 1.78s WALL ( 530 calls) Parallel routines fft_scatter : 138.59s CPU 143.06s WALL ( 1288103 calls) PWSCF : 15m50.23s CPU 17m45.43s WALL This run was terminated on: 15:33:14 23Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=