Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 5:54 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./LiPF6.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 71 71 19 2349 2349 340 Max 72 72 20 2352 2352 344 Sum 2569 2569 715 84615 84615 12333 bravais-lattice index = 14 lattice parameter (alat) = 9.6192 a.u. unit-cell volume = 599.8147 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.619240 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.530612 celldm(5)= 0.530612 celldm(6)= 0.530612 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.530612 0.847615 0.000000 ) a(3) = ( 0.530612 0.293840 0.795053 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.626006 -0.436029 ) b(2) = ( 0.000000 1.179781 -0.436029 ) b(3) = ( 0.000000 0.000000 1.257778 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 F 7.00 18.99840 F( 1.00) Li 3.00 6.94100 Li( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 286 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 2) = ( 0.0128205 -0.0080257 -0.0055901), wk = 0.0034965 k( 3) = ( 0.0256410 -0.0160514 -0.0111802), wk = 0.0034965 k( 4) = ( 0.0384615 -0.0240771 -0.0167704), wk = 0.0034965 k( 5) = ( 0.0512821 -0.0321028 -0.0223605), wk = 0.0034965 k( 6) = ( 0.0641026 -0.0401286 -0.0279506), wk = 0.0034965 k( 7) = ( 0.0769231 -0.0481543 -0.0335407), wk = 0.0034965 k( 8) = ( 0.0897436 -0.0561800 -0.0391308), wk = 0.0034965 k( 9) = ( 0.1025641 -0.0642057 -0.0447209), wk = 0.0034965 k( 10) = ( 0.1153846 -0.0722314 -0.0503111), wk = 0.0034965 k( 11) = ( 0.1282051 -0.0802571 -0.0559012), wk = 0.0034965 k( 12) = ( 0.1410256 -0.0882828 -0.0614913), wk = 0.0034965 k( 13) = ( 0.1538461 -0.0963085 -0.0670814), wk = 0.0034965 k( 14) = ( 0.1666667 -0.1043343 -0.0726715), wk = 0.0034965 k( 15) = ( 0.1794872 -0.1123600 -0.0782617), wk = 0.0034965 k( 16) = ( 0.1923077 -0.1203857 -0.0838518), wk = 0.0034965 k( 17) = ( 0.2051282 -0.1284114 -0.0894419), wk = 0.0034965 k( 18) = ( 0.2179487 -0.1364371 -0.0950320), wk = 0.0034965 k( 19) = ( 0.2307692 -0.1444628 -0.1006221), wk = 0.0034965 k( 20) = ( 0.2435897 -0.1524885 -0.1062123), wk = 0.0034965 k( 21) = ( 0.2564103 -0.1605142 -0.1118024), wk = 0.0034965 k( 22) = ( 0.2692308 -0.1685399 -0.1173925), wk = 0.0034965 k( 23) = ( 0.2820513 -0.1765657 -0.1229826), wk = 0.0034965 k( 24) = ( 0.2948718 -0.1845914 -0.1285727), wk = 0.0034965 k( 25) = ( 0.3076923 -0.1926171 -0.1341629), wk = 0.0034965 k( 26) = ( 0.3205128 -0.2006428 -0.1397530), wk = 0.0034965 k( 27) = ( 0.3333333 -0.2086685 -0.1453431), wk = 0.0034965 k( 28) = ( 0.3461538 -0.2166942 -0.1509332), wk = 0.0034965 k( 29) = ( 0.3589744 -0.2247199 -0.1565233), wk = 0.0034965 k( 30) = ( 0.3717949 -0.2327456 -0.1621134), wk = 0.0034965 k( 31) = ( 0.3846154 -0.2407714 -0.1677036), wk = 0.0034965 k( 32) = ( 0.3974359 -0.2487971 -0.1732937), wk = 0.0034965 k( 33) = ( 0.4102564 -0.2568228 -0.1788838), wk = 0.0034965 k( 34) = ( 0.4230769 -0.2648485 -0.1844739), wk = 0.0034965 k( 35) = ( 0.4358974 -0.2728742 -0.1900640), wk = 0.0034965 k( 36) = ( 0.4487179 -0.2808999 -0.1956542), wk = 0.0034965 k( 37) = ( 0.4615385 -0.2889256 -0.2012443), wk = 0.0034965 k( 38) = ( 0.4743590 -0.2969513 -0.2068344), wk = 0.0034965 k( 39) = ( 0.4871795 -0.3049771 -0.2124245), wk = 0.0034965 k( 40) = ( 0.5000000 -0.3130028 -0.2180146), wk = 0.0034965 k( 41) = ( 0.5000000 -0.3130028 -0.2180146), wk = 0.0034965 k( 42) = ( 0.5000000 -0.3037710 -0.2312686), wk = 0.0034965 k( 43) = ( 0.5000000 -0.2945392 -0.2445226), wk = 0.0034965 k( 44) = ( 0.5000000 -0.2853075 -0.2577766), wk = 0.0034965 k( 45) = ( 0.5000000 -0.2760757 -0.2710306), wk = 0.0034965 k( 46) = ( 0.5000000 -0.2668440 -0.2842847), wk = 0.0034965 k( 47) = ( 0.5000000 -0.2576122 -0.2975387), wk = 0.0034965 k( 48) = ( 0.5000000 -0.2483804 -0.3107927), wk = 0.0034965 k( 49) = ( 0.5000000 -0.2391487 -0.3240467), wk = 0.0034965 k( 50) = ( 0.5000000 -0.2299169 -0.3373007), wk = 0.0034965 k( 51) = ( 0.5000000 -0.2206851 -0.3505547), wk = 0.0034965 k( 52) = ( 0.5000000 -0.2114534 -0.3638087), wk = 0.0034965 k( 53) = ( 0.5000000 -0.2022216 -0.3770627), wk = 0.0034965 k( 54) = ( 0.5000000 -0.1929899 -0.3903167), wk = 0.0034965 k( 55) = ( 0.5000000 -0.1837581 -0.4035707), wk = 0.0034965 k( 56) = ( 0.5000000 -0.1745263 -0.4168247), wk = 0.0034965 k( 57) = ( 0.5000000 -0.1652946 -0.4300787), wk = 0.0034965 k( 58) = ( 0.5000000 -0.1560628 -0.4433327), wk = 0.0034965 k( 59) = ( 0.5000000 -0.1468310 -0.4565867), wk = 0.0034965 k( 60) = ( 0.5000000 -0.1375993 -0.4698407), wk = 0.0034965 k( 61) = ( 0.5000000 -0.1283675 -0.4830947), wk = 0.0034965 k( 62) = ( 0.5000000 -0.1191358 -0.4963487), wk = 0.0034965 k( 63) = ( 0.5000000 -0.1099040 -0.5096027), wk = 0.0034965 k( 64) = ( 0.5000000 -0.1006722 -0.5228568), wk = 0.0034965 k( 65) = ( 0.5000000 -0.0914405 -0.5361108), wk = 0.0034965 k( 66) = ( 0.5000000 -0.0822087 -0.5493648), wk = 0.0034965 k( 67) = ( 0.5000000 -0.0729769 -0.5626188), wk = 0.0034965 k( 68) = ( 0.5000000 -0.0637452 -0.5758728), wk = 0.0034965 k( 69) = ( 0.5000000 -0.0545134 -0.5891268), wk = 0.0034965 k( 70) = ( 0.5000000 -0.0452817 -0.6023808), wk = 0.0034965 k( 71) = ( 0.5000000 -0.0360499 -0.6156348), wk = 0.0034965 k( 72) = ( 0.5000000 -0.0268181 -0.6288888), wk = 0.0034965 k( 73) = ( 0.7574256 0.1157378 -0.2431697), wk = 0.0034965 k( 74) = ( 0.7496248 0.1206211 -0.2299567), wk = 0.0034965 k( 75) = ( 0.7418241 0.1255045 -0.2167437), wk = 0.0034965 k( 76) = ( 0.7340233 0.1303878 -0.2035307), wk = 0.0034965 k( 77) = ( 0.7262225 0.1352711 -0.1903177), wk = 0.0034965 k( 78) = ( 0.7184217 0.1401545 -0.1771047), wk = 0.0034965 k( 79) = ( 0.7106210 0.1450378 -0.1638917), wk = 0.0034965 k( 80) = ( 0.7028202 0.1499211 -0.1506787), wk = 0.0034965 k( 81) = ( 0.6950194 0.1548045 -0.1374657), wk = 0.0034965 k( 82) = ( 0.6872186 0.1596878 -0.1242527), wk = 0.0034965 k( 83) = ( 0.6794178 0.1645711 -0.1110397), wk = 0.0034965 k( 84) = ( 0.6716171 0.1694544 -0.0978266), wk = 0.0034965 k( 85) = ( 0.6638163 0.1743378 -0.0846136), wk = 0.0034965 k( 86) = ( 0.6560155 0.1792211 -0.0714006), wk = 0.0034965 k( 87) = ( 0.6482147 0.1841044 -0.0581876), wk = 0.0034965 k( 88) = ( 0.6404140 0.1889878 -0.0449746), wk = 0.0034965 k( 89) = ( 0.6326132 0.1938711 -0.0317616), wk = 0.0034965 k( 90) = ( 0.6248124 0.1987544 -0.0185486), wk = 0.0034965 k( 91) = ( 0.6170116 0.2036377 -0.0053356), wk = 0.0034965 k( 92) = ( 0.6092109 0.2085211 0.0078774), wk = 0.0034965 k( 93) = ( 0.6014101 0.2134044 0.0210904), wk = 0.0034965 k( 94) = ( 0.5936093 0.2182877 0.0343034), wk = 0.0034965 k( 95) = ( 0.5858085 0.2231711 0.0475164), wk = 0.0034965 k( 96) = ( 0.5780078 0.2280544 0.0607295), wk = 0.0034965 k( 97) = ( 0.5702070 0.2329377 0.0739425), wk = 0.0034965 k( 98) = ( 0.5624062 0.2378210 0.0871555), wk = 0.0034965 k( 99) = ( 0.5546054 0.2427044 0.1003685), wk = 0.0034965 k( 100) = ( 0.5468047 0.2475877 0.1135815), wk = 0.0034965 k( 101) = ( 0.5390039 0.2524710 0.1267945), wk = 0.0034965 k( 102) = ( 0.5312031 0.2573544 0.1400075), wk = 0.0034965 k( 103) = ( 0.5234023 0.2622377 0.1532205), wk = 0.0034965 k( 104) = ( 0.5156015 0.2671210 0.1664335), wk = 0.0034965 k( 105) = ( 0.5078008 0.2720043 0.1796465), wk = 0.0034965 k( 106) = ( 0.5000000 0.2768877 0.1928595), wk = 0.0034965 k( 107) = ( 0.5000000 0.2768877 0.1928595), wk = 0.0034965 k( 108) = ( 0.4868421 0.2696012 0.1877843), wk = 0.0034965 k( 109) = ( 0.4736842 0.2623146 0.1827090), wk = 0.0034965 k( 110) = ( 0.4605263 0.2550281 0.1776338), wk = 0.0034965 k( 111) = ( 0.4473684 0.2477416 0.1725585), wk = 0.0034965 k( 112) = ( 0.4342105 0.2404551 0.1674833), wk = 0.0034965 k( 113) = ( 0.4210526 0.2331686 0.1624080), wk = 0.0034965 k( 114) = ( 0.4078947 0.2258821 0.1573328), wk = 0.0034965 k( 115) = ( 0.3947368 0.2185955 0.1522575), wk = 0.0034965 k( 116) = ( 0.3815789 0.2113090 0.1471823), wk = 0.0034965 k( 117) = ( 0.3684211 0.2040225 0.1421070), wk = 0.0034965 k( 118) = ( 0.3552632 0.1967360 0.1370318), wk = 0.0034965 k( 119) = ( 0.3421053 0.1894495 0.1319565), wk = 0.0034965 k( 120) = ( 0.3289474 0.1821629 0.1268813), wk = 0.0034965 k( 121) = ( 0.3157895 0.1748764 0.1218060), wk = 0.0034965 k( 122) = ( 0.3026316 0.1675899 0.1167308), wk = 0.0034965 k( 123) = ( 0.2894737 0.1603034 0.1116555), wk = 0.0034965 k( 124) = ( 0.2763158 0.1530169 0.1065803), wk = 0.0034965 k( 125) = ( 0.2631579 0.1457304 0.1015050), wk = 0.0034965 k( 126) = ( 0.2500000 0.1384438 0.0964298), wk = 0.0034965 k( 127) = ( 0.2368421 0.1311573 0.0913545), wk = 0.0034965 k( 128) = ( 0.2236842 0.1238708 0.0862793), wk = 0.0034965 k( 129) = ( 0.2105263 0.1165843 0.0812040), wk = 0.0034965 k( 130) = ( 0.1973684 0.1092978 0.0761288), wk = 0.0034965 k( 131) = ( 0.1842105 0.1020113 0.0710535), wk = 0.0034965 k( 132) = ( 0.1710526 0.0947247 0.0659783), wk = 0.0034965 k( 133) = ( 0.1578947 0.0874382 0.0609030), wk = 0.0034965 k( 134) = ( 0.1447368 0.0801517 0.0558278), wk = 0.0034965 k( 135) = ( 0.1315790 0.0728652 0.0507525), wk = 0.0034965 k( 136) = ( 0.1184210 0.0655787 0.0456773), wk = 0.0034965 k( 137) = ( 0.1052632 0.0582921 0.0406020), wk = 0.0034965 k( 138) = ( 0.0921053 0.0510056 0.0355268), wk = 0.0034965 k( 139) = ( 0.0789474 0.0437191 0.0304515), wk = 0.0034965 k( 140) = ( 0.0657895 0.0364326 0.0253763), wk = 0.0034965 k( 141) = ( 0.0526316 0.0291461 0.0203010), wk = 0.0034965 k( 142) = ( 0.0394737 0.0218596 0.0152258), wk = 0.0034965 k( 143) = ( 0.0263158 0.0145730 0.0101505), wk = 0.0034965 k( 144) = ( 0.0131579 0.0072865 0.0050752), wk = 0.0034965 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 147) = ( 0.0077351 -0.0048422 -0.0131018), wk = 0.0034965 k( 148) = ( 0.0154703 -0.0096845 -0.0262037), wk = 0.0034965 k( 149) = ( 0.0232054 -0.0145267 -0.0393055), wk = 0.0034965 k( 150) = ( 0.0309406 -0.0193690 -0.0524074), wk = 0.0034965 k( 151) = ( 0.0386758 -0.0242112 -0.0655092), wk = 0.0034965 k( 152) = ( 0.0464109 -0.0290535 -0.0786111), wk = 0.0034965 k( 153) = ( 0.0541461 -0.0338957 -0.0917129), wk = 0.0034965 k( 154) = ( 0.0618812 -0.0387380 -0.1048148), wk = 0.0034965 k( 155) = ( 0.0696163 -0.0435802 -0.1179166), wk = 0.0034965 k( 156) = ( 0.0773515 -0.0484225 -0.1310185), wk = 0.0034965 k( 157) = ( 0.0850866 -0.0532647 -0.1441203), wk = 0.0034965 k( 158) = ( 0.0928218 -0.0581070 -0.1572222), wk = 0.0034965 k( 159) = ( 0.1005570 -0.0629492 -0.1703240), wk = 0.0034965 k( 160) = ( 0.1082921 -0.0677915 -0.1834259), wk = 0.0034965 k( 161) = ( 0.1160272 -0.0726337 -0.1965277), wk = 0.0034965 k( 162) = ( 0.1237624 -0.0774759 -0.2096296), wk = 0.0034965 k( 163) = ( 0.1314975 -0.0823182 -0.2227314), wk = 0.0034965 k( 164) = ( 0.1392327 -0.0871604 -0.2358333), wk = 0.0034965 k( 165) = ( 0.1469679 -0.0920027 -0.2489351), wk = 0.0034965 k( 166) = ( 0.1547030 -0.0968449 -0.2620370), wk = 0.0034965 k( 167) = ( 0.1624382 -0.1016872 -0.2751388), wk = 0.0034965 k( 168) = ( 0.1701733 -0.1065294 -0.2882407), wk = 0.0034965 k( 169) = ( 0.1779084 -0.1113717 -0.3013425), wk = 0.0034965 k( 170) = ( 0.1856436 -0.1162139 -0.3144444), wk = 0.0034965 k( 171) = ( 0.1933787 -0.1210562 -0.3275462), wk = 0.0034965 k( 172) = ( 0.2011139 -0.1258984 -0.3406481), wk = 0.0034965 k( 173) = ( 0.2088491 -0.1307407 -0.3537499), wk = 0.0034965 k( 174) = ( 0.2165842 -0.1355829 -0.3668518), wk = 0.0034965 k( 175) = ( 0.2243194 -0.1404252 -0.3799536), wk = 0.0034965 k( 176) = ( 0.2320545 -0.1452674 -0.3930555), wk = 0.0034965 k( 177) = ( 0.2397896 -0.1501096 -0.4061573), wk = 0.0034965 k( 178) = ( 0.2475248 -0.1549519 -0.4192592), wk = 0.0034965 k( 179) = ( 0.2552600 -0.1597941 -0.4323610), wk = 0.0034965 k( 180) = ( 0.2629951 -0.1646364 -0.4454629), wk = 0.0034965 k( 181) = ( 0.2707303 -0.1694786 -0.4585647), wk = 0.0034965 k( 182) = ( 0.2784654 -0.1743209 -0.4716666), wk = 0.0034965 k( 183) = ( 0.2862005 -0.1791631 -0.4847684), wk = 0.0034965 k( 184) = ( 0.2939357 -0.1840054 -0.4978703), wk = 0.0034965 k( 185) = ( 0.3016708 -0.1888476 -0.5109721), wk = 0.0034965 k( 186) = ( 0.3094060 -0.1936899 -0.5240740), wk = 0.0034965 k( 187) = ( 0.3171411 -0.1985321 -0.5371758), wk = 0.0034965 k( 188) = ( 0.3248763 -0.2033744 -0.5502777), wk = 0.0034965 k( 189) = ( 0.3326114 -0.2082166 -0.5633795), wk = 0.0034965 k( 190) = ( 0.3403466 -0.2130588 -0.5764814), wk = 0.0034965 k( 191) = ( 0.3480817 -0.2179011 -0.5895832), wk = 0.0034965 k( 192) = ( 0.3558169 -0.2227433 -0.6026851), wk = 0.0034965 k( 193) = ( 0.3635520 -0.2275856 -0.6157869), wk = 0.0034965 k( 194) = ( 0.3712872 -0.2324278 -0.6288888), wk = 0.0034965 k( 195) = ( 0.6287128 0.0444598 -0.4360293), wk = 0.0034965 k( 196) = ( 0.6211415 0.0581321 -0.4360293), wk = 0.0034965 k( 197) = ( 0.6135701 0.0718043 -0.4360293), wk = 0.0034965 k( 198) = ( 0.6059988 0.0854765 -0.4360293), wk = 0.0034965 k( 199) = ( 0.5984274 0.0991487 -0.4360293), wk = 0.0034965 k( 200) = ( 0.5908561 0.1128210 -0.4360293), wk = 0.0034965 k( 201) = ( 0.5832848 0.1264932 -0.4360293), wk = 0.0034965 k( 202) = ( 0.5757134 0.1401654 -0.4360293), wk = 0.0034965 k( 203) = ( 0.5681421 0.1538377 -0.4360293), wk = 0.0034965 k( 204) = ( 0.5605707 0.1675099 -0.4360293), wk = 0.0034965 k( 205) = ( 0.5529994 0.1811821 -0.4360293), wk = 0.0034965 k( 206) = ( 0.5454281 0.1948543 -0.4360293), wk = 0.0034965 k( 207) = ( 0.5378567 0.2085265 -0.4360293), wk = 0.0034965 k( 208) = ( 0.5302854 0.2221988 -0.4360293), wk = 0.0034965 k( 209) = ( 0.5227140 0.2358710 -0.4360293), wk = 0.0034965 k( 210) = ( 0.5151427 0.2495432 -0.4360293), wk = 0.0034965 k( 211) = ( 0.5075713 0.2632155 -0.4360293), wk = 0.0034965 k( 212) = ( 0.5000000 0.2768877 -0.4360293), wk = 0.0034965 k( 213) = ( 0.5000000 0.2768877 -0.4360293), wk = 0.0034965 k( 214) = ( 0.5085808 0.2816395 -0.4231720), wk = 0.0034965 k( 215) = ( 0.5171617 0.2863914 -0.4103147), wk = 0.0034965 k( 216) = ( 0.5257426 0.2911433 -0.3974574), wk = 0.0034965 k( 217) = ( 0.5343234 0.2958951 -0.3846001), wk = 0.0034965 k( 218) = ( 0.5429043 0.3006470 -0.3717428), wk = 0.0034965 k( 219) = ( 0.5514851 0.3053989 -0.3588854), wk = 0.0034965 k( 220) = ( 0.5600660 0.3101507 -0.3460282), wk = 0.0034965 k( 221) = ( 0.5686468 0.3149026 -0.3331708), wk = 0.0034965 k( 222) = ( 0.5772277 0.3196545 -0.3203135), wk = 0.0034965 k( 223) = ( 0.5858085 0.3244063 -0.3074562), wk = 0.0034965 k( 224) = ( 0.5943894 0.3291582 -0.2945989), wk = 0.0034965 k( 225) = ( 0.6029702 0.3339101 -0.2817416), wk = 0.0034965 k( 226) = ( 0.6115511 0.3386619 -0.2688843), wk = 0.0034965 k( 227) = ( 0.6201319 0.3434138 -0.2560270), wk = 0.0034965 k( 228) = ( 0.6287128 0.3481657 -0.2431697), wk = 0.0034965 k( 229) = ( 0.6287128 0.3481657 -0.2431697), wk = 0.0034965 k( 230) = ( 0.6242744 0.3457078 -0.2281342), wk = 0.0034965 k( 231) = ( 0.6198361 0.3432499 -0.2130987), wk = 0.0034965 k( 232) = ( 0.6153977 0.3407921 -0.1980633), wk = 0.0034965 k( 233) = ( 0.6109593 0.3383342 -0.1830278), wk = 0.0034965 k( 234) = ( 0.6065209 0.3358763 -0.1679923), wk = 0.0034965 k( 235) = ( 0.6020826 0.3334185 -0.1529568), wk = 0.0034965 k( 236) = ( 0.5976442 0.3309606 -0.1379213), wk = 0.0034965 k( 237) = ( 0.5932058 0.3285028 -0.1228858), wk = 0.0034965 k( 238) = ( 0.5887674 0.3260449 -0.1078503), wk = 0.0034965 k( 239) = ( 0.5843291 0.3235870 -0.0928148), wk = 0.0034965 k( 240) = ( 0.5798907 0.3211292 -0.0777793), wk = 0.0034965 k( 241) = ( 0.5754523 0.3186713 -0.0627438), wk = 0.0034965 k( 242) = ( 0.5710140 0.3162135 -0.0477083), wk = 0.0034965 k( 243) = ( 0.5665756 0.3137556 -0.0326729), wk = 0.0034965 k( 244) = ( 0.5621372 0.3112977 -0.0176374), wk = 0.0034965 k( 245) = ( 0.5576988 0.3088399 -0.0026019), wk = 0.0034965 k( 246) = ( 0.5532605 0.3063820 0.0124336), wk = 0.0034965 k( 247) = ( 0.5488221 0.3039242 0.0274691), wk = 0.0034965 k( 248) = ( 0.5443837 0.3014663 0.0425046), wk = 0.0034965 k( 249) = ( 0.5399453 0.2990084 0.0575401), wk = 0.0034965 k( 250) = ( 0.5355070 0.2965506 0.0725756), wk = 0.0034965 k( 251) = ( 0.5310686 0.2940927 0.0876111), wk = 0.0034965 k( 252) = ( 0.5266302 0.2916348 0.1026466), wk = 0.0034965 k( 253) = ( 0.5221919 0.2891770 0.1176821), wk = 0.0034965 k( 254) = ( 0.5177535 0.2867191 0.1327176), wk = 0.0034965 k( 255) = ( 0.5133151 0.2842613 0.1477530), wk = 0.0034965 k( 256) = ( 0.5088767 0.2818034 0.1627885), wk = 0.0034965 k( 257) = ( 0.5044384 0.2793455 0.1778240), wk = 0.0034965 k( 258) = ( 0.5000000 0.2768877 0.1928595), wk = 0.0034965 k( 259) = ( 0.5000000 -0.3130028 -0.2180146), wk = 0.0034965 k( 260) = ( 0.5095343 -0.3027477 -0.2108717), wk = 0.0034965 k( 261) = ( 0.5190686 -0.2924926 -0.2037287), wk = 0.0034965 k( 262) = ( 0.5286028 -0.2822375 -0.1965858), wk = 0.0034965 k( 263) = ( 0.5381371 -0.2719824 -0.1894428), wk = 0.0034965 k( 264) = ( 0.5476714 -0.2617273 -0.1822999), wk = 0.0034965 k( 265) = ( 0.5572057 -0.2514722 -0.1751570), wk = 0.0034965 k( 266) = ( 0.5667400 -0.2412171 -0.1680140), wk = 0.0034965 k( 267) = ( 0.5762743 -0.2309620 -0.1608711), wk = 0.0034965 k( 268) = ( 0.5858085 -0.2207069 -0.1537281), wk = 0.0034965 k( 269) = ( 0.5953428 -0.2104518 -0.1465852), wk = 0.0034965 k( 270) = ( 0.6048771 -0.2001967 -0.1394422), wk = 0.0034965 k( 271) = ( 0.6144114 -0.1899416 -0.1322993), wk = 0.0034965 k( 272) = ( 0.6239457 -0.1796865 -0.1251563), wk = 0.0034965 k( 273) = ( 0.6334800 -0.1694314 -0.1180134), wk = 0.0034965 k( 274) = ( 0.6430142 -0.1591763 -0.1108705), wk = 0.0034965 k( 275) = ( 0.6525485 -0.1489212 -0.1037275), wk = 0.0034965 k( 276) = ( 0.6620828 -0.1386661 -0.0965846), wk = 0.0034965 k( 277) = ( 0.6716171 -0.1284110 -0.0894416), wk = 0.0034965 k( 278) = ( 0.6811514 -0.1181559 -0.0822987), wk = 0.0034965 k( 279) = ( 0.6906856 -0.1079008 -0.0751557), wk = 0.0034965 k( 280) = ( 0.7002199 -0.0976457 -0.0680128), wk = 0.0034965 k( 281) = ( 0.7097542 -0.0873906 -0.0608698), wk = 0.0034965 k( 282) = ( 0.7192885 -0.0771355 -0.0537269), wk = 0.0034965 k( 283) = ( 0.7288228 -0.0668804 -0.0465839), wk = 0.0034965 k( 284) = ( 0.7383570 -0.0566253 -0.0394410), wk = 0.0034965 k( 285) = ( 0.7478913 -0.0463702 -0.0322980), wk = 0.0034965 k( 286) = ( 0.7574256 -0.0361151 -0.0251551), wk = 0.0034965 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 2) = ( 0.0128205 -0.0000000 0.0000000), wk = 0.0034965 k( 3) = ( 0.0256410 -0.0000000 -0.0000000), wk = 0.0034965 k( 4) = ( 0.0384615 -0.0000000 0.0000000), wk = 0.0034965 k( 5) = ( 0.0512821 -0.0000000 -0.0000000), wk = 0.0034965 k( 6) = ( 0.0641026 -0.0000000 -0.0000000), wk = 0.0034965 k( 7) = ( 0.0769231 -0.0000000 0.0000000), wk = 0.0034965 k( 8) = ( 0.0897436 -0.0000000 -0.0000000), wk = 0.0034965 k( 9) = ( 0.1025641 -0.0000000 -0.0000000), wk = 0.0034965 k( 10) = ( 0.1153846 -0.0000000 -0.0000000), wk = 0.0034965 k( 11) = ( 0.1282051 -0.0000000 -0.0000000), wk = 0.0034965 k( 12) = ( 0.1410256 -0.0000000 -0.0000000), wk = 0.0034965 k( 13) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0034965 k( 14) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0034965 k( 15) = ( 0.1794872 -0.0000000 -0.0000000), wk = 0.0034965 k( 16) = ( 0.1923077 -0.0000000 -0.0000000), wk = 0.0034965 k( 17) = ( 0.2051282 -0.0000000 -0.0000000), wk = 0.0034965 k( 18) = ( 0.2179487 -0.0000000 -0.0000000), wk = 0.0034965 k( 19) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0034965 k( 20) = ( 0.2435897 -0.0000000 0.0000000), wk = 0.0034965 k( 21) = ( 0.2564103 -0.0000000 -0.0000000), wk = 0.0034965 k( 22) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0034965 k( 23) = ( 0.2820513 -0.0000000 -0.0000000), wk = 0.0034965 k( 24) = ( 0.2948718 -0.0000000 0.0000000), wk = 0.0034965 k( 25) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0034965 k( 26) = ( 0.3205128 -0.0000000 -0.0000000), wk = 0.0034965 k( 27) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0034965 k( 28) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0034965 k( 29) = ( 0.3589744 -0.0000000 -0.0000000), wk = 0.0034965 k( 30) = ( 0.3717949 -0.0000000 -0.0000000), wk = 0.0034965 k( 31) = ( 0.3846154 -0.0000000 -0.0000000), wk = 0.0034965 k( 32) = ( 0.3974359 -0.0000000 0.0000000), wk = 0.0034965 k( 33) = ( 0.4102564 -0.0000000 -0.0000000), wk = 0.0034965 k( 34) = ( 0.4230769 -0.0000000 -0.0000000), wk = 0.0034965 k( 35) = ( 0.4358974 -0.0000000 -0.0000000), wk = 0.0034965 k( 36) = ( 0.4487179 -0.0000000 -0.0000000), wk = 0.0034965 k( 37) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0034965 k( 38) = ( 0.4743590 -0.0000000 -0.0000000), wk = 0.0034965 k( 39) = ( 0.4871795 -0.0000000 -0.0000000), wk = 0.0034965 k( 40) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034965 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034965 k( 42) = ( 0.5000000 0.0078250 -0.0078250), wk = 0.0034965 k( 43) = ( 0.5000000 0.0156500 -0.0156500), wk = 0.0034965 k( 44) = ( 0.5000000 0.0234749 -0.0234749), wk = 0.0034965 k( 45) = ( 0.5000000 0.0312999 -0.0312999), wk = 0.0034965 k( 46) = ( 0.5000000 0.0391249 -0.0391249), wk = 0.0034965 k( 47) = ( 0.5000000 0.0469499 -0.0469499), wk = 0.0034965 k( 48) = ( 0.5000000 0.0547749 -0.0547749), wk = 0.0034965 k( 49) = ( 0.5000000 0.0625998 -0.0625998), wk = 0.0034965 k( 50) = ( 0.5000000 0.0704248 -0.0704248), wk = 0.0034965 k( 51) = ( 0.5000000 0.0782498 -0.0782498), wk = 0.0034965 k( 52) = ( 0.5000000 0.0860748 -0.0860748), wk = 0.0034965 k( 53) = ( 0.5000000 0.0938998 -0.0938998), wk = 0.0034965 k( 54) = ( 0.5000000 0.1017247 -0.1017247), wk = 0.0034965 k( 55) = ( 0.5000000 0.1095497 -0.1095497), wk = 0.0034965 k( 56) = ( 0.5000000 0.1173747 -0.1173747), wk = 0.0034965 k( 57) = ( 0.5000000 0.1251997 -0.1251997), wk = 0.0034965 k( 58) = ( 0.5000000 0.1330247 -0.1330247), wk = 0.0034965 k( 59) = ( 0.5000000 0.1408496 -0.1408496), wk = 0.0034965 k( 60) = ( 0.5000000 0.1486746 -0.1486746), wk = 0.0034965 k( 61) = ( 0.5000000 0.1564996 -0.1564996), wk = 0.0034965 k( 62) = ( 0.5000000 0.1643246 -0.1643246), wk = 0.0034965 k( 63) = ( 0.5000000 0.1721496 -0.1721496), wk = 0.0034965 k( 64) = ( 0.5000000 0.1799745 -0.1799746), wk = 0.0034965 k( 65) = ( 0.5000000 0.1877995 -0.1877995), wk = 0.0034965 k( 66) = ( 0.5000000 0.1956245 -0.1956245), wk = 0.0034965 k( 67) = ( 0.5000000 0.2034495 -0.2034495), wk = 0.0034965 k( 68) = ( 0.5000000 0.2112745 -0.2112745), wk = 0.0034965 k( 69) = ( 0.5000000 0.2190994 -0.2190995), wk = 0.0034965 k( 70) = ( 0.5000000 0.2269244 -0.2269244), wk = 0.0034965 k( 71) = ( 0.5000000 0.2347494 -0.2347494), wk = 0.0034965 k( 72) = ( 0.5000000 0.2425744 -0.2425744), wk = 0.0034965 k( 73) = ( 0.7574256 0.5000000 0.2425744), wk = 0.0034965 k( 74) = ( 0.7496248 0.5000000 0.2503752), wk = 0.0034965 k( 75) = ( 0.7418241 0.5000000 0.2581759), wk = 0.0034965 k( 76) = ( 0.7340233 0.5000000 0.2659767), wk = 0.0034965 k( 77) = ( 0.7262225 0.5000000 0.2737775), wk = 0.0034965 k( 78) = ( 0.7184217 0.5000000 0.2815783), wk = 0.0034965 k( 79) = ( 0.7106210 0.5000000 0.2893790), wk = 0.0034965 k( 80) = ( 0.7028202 0.5000000 0.2971798), wk = 0.0034965 k( 81) = ( 0.6950194 0.5000000 0.3049806), wk = 0.0034965 k( 82) = ( 0.6872186 0.5000000 0.3127814), wk = 0.0034965 k( 83) = ( 0.6794178 0.5000000 0.3205821), wk = 0.0034965 k( 84) = ( 0.6716171 0.5000000 0.3283829), wk = 0.0034965 k( 85) = ( 0.6638163 0.5000000 0.3361837), wk = 0.0034965 k( 86) = ( 0.6560155 0.5000000 0.3439845), wk = 0.0034965 k( 87) = ( 0.6482147 0.5000000 0.3517852), wk = 0.0034965 k( 88) = ( 0.6404140 0.5000000 0.3595860), wk = 0.0034965 k( 89) = ( 0.6326132 0.5000000 0.3673868), wk = 0.0034965 k( 90) = ( 0.6248124 0.5000000 0.3751876), wk = 0.0034965 k( 91) = ( 0.6170116 0.5000000 0.3829884), wk = 0.0034965 k( 92) = ( 0.6092109 0.5000000 0.3907891), wk = 0.0034965 k( 93) = ( 0.6014101 0.5000000 0.3985899), wk = 0.0034965 k( 94) = ( 0.5936093 0.5000000 0.4063907), wk = 0.0034965 k( 95) = ( 0.5858085 0.5000000 0.4141915), wk = 0.0034965 k( 96) = ( 0.5780078 0.5000000 0.4219922), wk = 0.0034965 k( 97) = ( 0.5702070 0.5000000 0.4297930), wk = 0.0034965 k( 98) = ( 0.5624062 0.5000000 0.4375938), wk = 0.0034965 k( 99) = ( 0.5546054 0.5000000 0.4453946), wk = 0.0034965 k( 100) = ( 0.5468047 0.5000000 0.4531953), wk = 0.0034965 k( 101) = ( 0.5390039 0.5000000 0.4609961), wk = 0.0034965 k( 102) = ( 0.5312031 0.5000000 0.4687969), wk = 0.0034965 k( 103) = ( 0.5234023 0.5000000 0.4765977), wk = 0.0034965 k( 104) = ( 0.5156015 0.5000000 0.4843984), wk = 0.0034965 k( 105) = ( 0.5078008 0.5000000 0.4921992), wk = 0.0034965 k( 106) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034965 k( 107) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034965 k( 108) = ( 0.4868421 0.4868421 0.4868421), wk = 0.0034965 k( 109) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0034965 k( 110) = ( 0.4605263 0.4605263 0.4605263), wk = 0.0034965 k( 111) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0034965 k( 112) = ( 0.4342105 0.4342105 0.4342105), wk = 0.0034965 k( 113) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0034965 k( 114) = ( 0.4078947 0.4078947 0.4078947), wk = 0.0034965 k( 115) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0034965 k( 116) = ( 0.3815789 0.3815789 0.3815789), wk = 0.0034965 k( 117) = ( 0.3684211 0.3684210 0.3684210), wk = 0.0034965 k( 118) = ( 0.3552632 0.3552632 0.3552632), wk = 0.0034965 k( 119) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0034965 k( 120) = ( 0.3289474 0.3289474 0.3289474), wk = 0.0034965 k( 121) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0034965 k( 122) = ( 0.3026316 0.3026316 0.3026316), wk = 0.0034965 k( 123) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0034965 k( 124) = ( 0.2763158 0.2763158 0.2763158), wk = 0.0034965 k( 125) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0034965 k( 126) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034965 k( 127) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0034965 k( 128) = ( 0.2236842 0.2236842 0.2236842), wk = 0.0034965 k( 129) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0034965 k( 130) = ( 0.1973684 0.1973684 0.1973684), wk = 0.0034965 k( 131) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0034965 k( 132) = ( 0.1710526 0.1710526 0.1710526), wk = 0.0034965 k( 133) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0034965 k( 134) = ( 0.1447368 0.1447368 0.1447368), wk = 0.0034965 k( 135) = ( 0.1315790 0.1315789 0.1315789), wk = 0.0034965 k( 136) = ( 0.1184210 0.1184210 0.1184210), wk = 0.0034965 k( 137) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0034965 k( 138) = ( 0.0921053 0.0921053 0.0921053), wk = 0.0034965 k( 139) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0034965 k( 140) = ( 0.0657895 0.0657895 0.0657895), wk = 0.0034965 k( 141) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0034965 k( 142) = ( 0.0394737 0.0394737 0.0394737), wk = 0.0034965 k( 143) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0034965 k( 144) = ( 0.0131579 0.0131579 0.0131579), wk = 0.0034965 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 147) = ( 0.0077351 0.0000000 -0.0077351), wk = 0.0034965 k( 148) = ( 0.0154703 0.0000000 -0.0154703), wk = 0.0034965 k( 149) = ( 0.0232054 -0.0000000 -0.0232054), wk = 0.0034965 k( 150) = ( 0.0309406 0.0000000 -0.0309406), wk = 0.0034965 k( 151) = ( 0.0386758 -0.0000000 -0.0386757), wk = 0.0034965 k( 152) = ( 0.0464109 -0.0000000 -0.0464109), wk = 0.0034965 k( 153) = ( 0.0541461 -0.0000000 -0.0541461), wk = 0.0034965 k( 154) = ( 0.0618812 0.0000000 -0.0618812), wk = 0.0034965 k( 155) = ( 0.0696163 0.0000000 -0.0696163), wk = 0.0034965 k( 156) = ( 0.0773515 -0.0000000 -0.0773515), wk = 0.0034965 k( 157) = ( 0.0850866 -0.0000000 -0.0850866), wk = 0.0034965 k( 158) = ( 0.0928218 -0.0000000 -0.0928218), wk = 0.0034965 k( 159) = ( 0.1005570 -0.0000000 -0.1005570), wk = 0.0034965 k( 160) = ( 0.1082921 -0.0000000 -0.1082921), wk = 0.0034965 k( 161) = ( 0.1160272 -0.0000000 -0.1160272), wk = 0.0034965 k( 162) = ( 0.1237624 0.0000000 -0.1237624), wk = 0.0034965 k( 163) = ( 0.1314975 0.0000000 -0.1314975), wk = 0.0034965 k( 164) = ( 0.1392327 0.0000000 -0.1392327), wk = 0.0034965 k( 165) = ( 0.1469679 0.0000000 -0.1469678), wk = 0.0034965 k( 166) = ( 0.1547030 -0.0000000 -0.1547030), wk = 0.0034965 k( 167) = ( 0.1624382 -0.0000000 -0.1624382), wk = 0.0034965 k( 168) = ( 0.1701733 -0.0000000 -0.1701733), wk = 0.0034965 k( 169) = ( 0.1779084 -0.0000000 -0.1779084), wk = 0.0034965 k( 170) = ( 0.1856436 -0.0000000 -0.1856436), wk = 0.0034965 k( 171) = ( 0.1933787 -0.0000000 -0.1933787), wk = 0.0034965 k( 172) = ( 0.2011139 -0.0000000 -0.2011139), wk = 0.0034965 k( 173) = ( 0.2088491 -0.0000000 -0.2088490), wk = 0.0034965 k( 174) = ( 0.2165842 -0.0000000 -0.2165842), wk = 0.0034965 k( 175) = ( 0.2243194 -0.0000000 -0.2243194), wk = 0.0034965 k( 176) = ( 0.2320545 -0.0000000 -0.2320545), wk = 0.0034965 k( 177) = ( 0.2397896 -0.0000000 -0.2397896), wk = 0.0034965 k( 178) = ( 0.2475248 0.0000000 -0.2475248), wk = 0.0034965 k( 179) = ( 0.2552600 -0.0000000 -0.2552600), wk = 0.0034965 k( 180) = ( 0.2629951 0.0000000 -0.2629951), wk = 0.0034965 k( 181) = ( 0.2707303 -0.0000000 -0.2707303), wk = 0.0034965 k( 182) = ( 0.2784654 0.0000000 -0.2784654), wk = 0.0034965 k( 183) = ( 0.2862005 -0.0000000 -0.2862005), wk = 0.0034965 k( 184) = ( 0.2939357 0.0000000 -0.2939357), wk = 0.0034965 k( 185) = ( 0.3016708 -0.0000000 -0.3016708), wk = 0.0034965 k( 186) = ( 0.3094060 -0.0000000 -0.3094060), wk = 0.0034965 k( 187) = ( 0.3171411 -0.0000000 -0.3171411), wk = 0.0034965 k( 188) = ( 0.3248763 -0.0000000 -0.3248763), wk = 0.0034965 k( 189) = ( 0.3326114 -0.0000000 -0.3326114), wk = 0.0034965 k( 190) = ( 0.3403466 -0.0000000 -0.3403466), wk = 0.0034965 k( 191) = ( 0.3480817 -0.0000000 -0.3480817), wk = 0.0034965 k( 192) = ( 0.3558169 -0.0000000 -0.3558169), wk = 0.0034965 k( 193) = ( 0.3635520 -0.0000000 -0.3635520), wk = 0.0034965 k( 194) = ( 0.3712872 -0.0000000 -0.3712872), wk = 0.0034965 k( 195) = ( 0.6287128 0.3712872 -0.0000000), wk = 0.0034965 k( 196) = ( 0.6211415 0.3788585 -0.0000000), wk = 0.0034965 k( 197) = ( 0.6135701 0.3864299 0.0000000), wk = 0.0034965 k( 198) = ( 0.6059988 0.3940012 -0.0000000), wk = 0.0034965 k( 199) = ( 0.5984274 0.4015726 -0.0000000), wk = 0.0034965 k( 200) = ( 0.5908561 0.4091439 -0.0000000), wk = 0.0034965 k( 201) = ( 0.5832848 0.4167152 0.0000000), wk = 0.0034965 k( 202) = ( 0.5757134 0.4242866 -0.0000000), wk = 0.0034965 k( 203) = ( 0.5681421 0.4318579 -0.0000000), wk = 0.0034965 k( 204) = ( 0.5605707 0.4394293 -0.0000000), wk = 0.0034965 k( 205) = ( 0.5529994 0.4470006 -0.0000000), wk = 0.0034965 k( 206) = ( 0.5454281 0.4545719 -0.0000000), wk = 0.0034965 k( 207) = ( 0.5378567 0.4621433 -0.0000000), wk = 0.0034965 k( 208) = ( 0.5302854 0.4697146 -0.0000000), wk = 0.0034965 k( 209) = ( 0.5227140 0.4772860 -0.0000000), wk = 0.0034965 k( 210) = ( 0.5151427 0.4848573 -0.0000000), wk = 0.0034965 k( 211) = ( 0.5075713 0.4924287 -0.0000000), wk = 0.0034965 k( 212) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034965 k( 213) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034965 k( 214) = ( 0.5085808 0.5085808 0.0161716), wk = 0.0034965 k( 215) = ( 0.5171617 0.5171617 0.0323432), wk = 0.0034965 k( 216) = ( 0.5257426 0.5257426 0.0485149), wk = 0.0034965 k( 217) = ( 0.5343234 0.5343234 0.0646865), wk = 0.0034965 k( 218) = ( 0.5429043 0.5429043 0.0808581), wk = 0.0034965 k( 219) = ( 0.5514851 0.5514851 0.0970298), wk = 0.0034965 k( 220) = ( 0.5600660 0.5600660 0.1132014), wk = 0.0034965 k( 221) = ( 0.5686468 0.5686468 0.1293730), wk = 0.0034965 k( 222) = ( 0.5772277 0.5772277 0.1455446), wk = 0.0034965 k( 223) = ( 0.5858085 0.5858085 0.1617163), wk = 0.0034965 k( 224) = ( 0.5943894 0.5943894 0.1778879), wk = 0.0034965 k( 225) = ( 0.6029702 0.6029702 0.1940595), wk = 0.0034965 k( 226) = ( 0.6115511 0.6115511 0.2102311), wk = 0.0034965 k( 227) = ( 0.6201319 0.6201319 0.2264028), wk = 0.0034965 k( 228) = ( 0.6287128 0.6287128 0.2425744), wk = 0.0034965 k( 229) = ( 0.6287128 0.6287128 0.2425744), wk = 0.0034965 k( 230) = ( 0.6242744 0.6242744 0.2514511), wk = 0.0034965 k( 231) = ( 0.6198361 0.6198361 0.2603279), wk = 0.0034965 k( 232) = ( 0.6153977 0.6153977 0.2692046), wk = 0.0034965 k( 233) = ( 0.6109593 0.6109593 0.2780814), wk = 0.0034965 k( 234) = ( 0.6065209 0.6065209 0.2869581), wk = 0.0034965 k( 235) = ( 0.6020826 0.6020826 0.2958349), wk = 0.0034965 k( 236) = ( 0.5976442 0.5976442 0.3047116), wk = 0.0034965 k( 237) = ( 0.5932058 0.5932058 0.3135883), wk = 0.0034965 k( 238) = ( 0.5887674 0.5887674 0.3224651), wk = 0.0034965 k( 239) = ( 0.5843291 0.5843291 0.3313418), wk = 0.0034965 k( 240) = ( 0.5798907 0.5798907 0.3402186), wk = 0.0034965 k( 241) = ( 0.5754523 0.5754523 0.3490953), wk = 0.0034965 k( 242) = ( 0.5710140 0.5710140 0.3579721), wk = 0.0034965 k( 243) = ( 0.5665756 0.5665756 0.3668488), wk = 0.0034965 k( 244) = ( 0.5621372 0.5621372 0.3757256), wk = 0.0034965 k( 245) = ( 0.5576988 0.5576988 0.3846023), wk = 0.0034965 k( 246) = ( 0.5532605 0.5532605 0.3934791), wk = 0.0034965 k( 247) = ( 0.5488221 0.5488221 0.4023558), wk = 0.0034965 k( 248) = ( 0.5443837 0.5443837 0.4112325), wk = 0.0034965 k( 249) = ( 0.5399453 0.5399453 0.4201093), wk = 0.0034965 k( 250) = ( 0.5355070 0.5355070 0.4289860), wk = 0.0034965 k( 251) = ( 0.5310686 0.5310686 0.4378628), wk = 0.0034965 k( 252) = ( 0.5266302 0.5266302 0.4467395), wk = 0.0034965 k( 253) = ( 0.5221919 0.5221919 0.4556163), wk = 0.0034965 k( 254) = ( 0.5177535 0.5177535 0.4644930), wk = 0.0034965 k( 255) = ( 0.5133151 0.5133151 0.4733698), wk = 0.0034965 k( 256) = ( 0.5088767 0.5088767 0.4822465), wk = 0.0034965 k( 257) = ( 0.5044384 0.5044384 0.4911232), wk = 0.0034965 k( 258) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034965 k( 259) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034965 k( 260) = ( 0.5095343 0.0137514 0.0137514), wk = 0.0034965 k( 261) = ( 0.5190686 0.0275028 0.0275028), wk = 0.0034965 k( 262) = ( 0.5286028 0.0412541 0.0412541), wk = 0.0034965 k( 263) = ( 0.5381371 0.0550055 0.0550055), wk = 0.0034965 k( 264) = ( 0.5476714 0.0687569 0.0687569), wk = 0.0034965 k( 265) = ( 0.5572057 0.0825083 0.0825083), wk = 0.0034965 k( 266) = ( 0.5667400 0.0962596 0.0962596), wk = 0.0034965 k( 267) = ( 0.5762743 0.1100110 0.1100110), wk = 0.0034965 k( 268) = ( 0.5858085 0.1237624 0.1237624), wk = 0.0034965 k( 269) = ( 0.5953428 0.1375138 0.1375138), wk = 0.0034965 k( 270) = ( 0.6048771 0.1512651 0.1512651), wk = 0.0034965 k( 271) = ( 0.6144114 0.1650165 0.1650165), wk = 0.0034965 k( 272) = ( 0.6239457 0.1787679 0.1787679), wk = 0.0034965 k( 273) = ( 0.6334800 0.1925193 0.1925193), wk = 0.0034965 k( 274) = ( 0.6430142 0.2062707 0.2062707), wk = 0.0034965 k( 275) = ( 0.6525485 0.2200220 0.2200220), wk = 0.0034965 k( 276) = ( 0.6620828 0.2337734 0.2337734), wk = 0.0034965 k( 277) = ( 0.6716171 0.2475248 0.2475248), wk = 0.0034965 k( 278) = ( 0.6811514 0.2612762 0.2612762), wk = 0.0034965 k( 279) = ( 0.6906856 0.2750275 0.2750275), wk = 0.0034965 k( 280) = ( 0.7002199 0.2887789 0.2887789), wk = 0.0034965 k( 281) = ( 0.7097542 0.3025303 0.3025303), wk = 0.0034965 k( 282) = ( 0.7192885 0.3162817 0.3162817), wk = 0.0034965 k( 283) = ( 0.7288228 0.3300331 0.3300331), wk = 0.0034965 k( 284) = ( 0.7383570 0.3437844 0.3437844), wk = 0.0034965 k( 285) = ( 0.7478913 0.3575358 0.3575358), wk = 0.0034965 k( 286) = ( 0.7574256 0.3712872 0.3712872), wk = 0.0034965 Dense grid: 84615 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.54 Mb ( 592, 60) NL pseudopotentials 0.60 Mb ( 296, 132) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2352) G-vector shells 0.01 Mb ( 1908) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.17 Mb ( 592, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.24 Mb ( 132, 2, 60) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./LiPF6.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 6.0 secs Computing kpt #: 6 total cpu time spent up to now is 6.8 secs Computing kpt #: 7 total cpu time spent up to now is 7.6 secs Computing kpt #: 8 total cpu time spent up to now is 8.4 secs Computing kpt #: 9 total cpu time spent up to now is 9.2 secs Computing kpt #: 10 total cpu time spent up to now is 10.0 secs Computing kpt #: 11 total cpu time spent up to now is 10.8 secs Computing kpt #: 12 total cpu time spent up to now is 11.6 secs Computing kpt #: 13 total cpu time spent up to now is 12.4 secs Computing kpt #: 14 total cpu time spent up to now is 13.2 secs Computing kpt #: 15 total cpu time spent up to now is 14.0 secs Computing kpt #: 16 total cpu time spent up to now is 14.9 secs Computing kpt #: 17 total cpu time spent up to now is 15.7 secs Computing kpt #: 18 total cpu time spent up to now is 16.5 secs Computing kpt #: 19 total cpu time spent up to now is 17.4 secs Computing kpt #: 20 total cpu time spent up to now is 18.2 secs Computing kpt #: 21 total cpu time spent up to now is 19.1 secs Computing kpt #: 22 total cpu time spent up to now is 20.0 secs Computing kpt #: 23 total cpu time spent up to now is 20.9 secs Computing kpt #: 24 total cpu time spent up to now is 21.9 secs Computing kpt #: 25 total cpu time spent up to now is 22.8 secs Computing kpt #: 26 total cpu time spent up to now is 23.7 secs Computing kpt #: 27 total cpu time spent up to now is 24.5 secs Computing kpt #: 28 total cpu time spent up to now is 25.4 secs Computing kpt #: 29 total cpu time spent up to now is 26.3 secs Computing kpt #: 30 total cpu time spent up to now is 27.1 secs Computing kpt #: 31 total cpu time spent up to now is 28.0 secs Computing kpt #: 32 total cpu time spent up to now is 28.8 secs Computing kpt #: 33 total cpu time spent up to now is 29.7 secs Computing kpt #: 34 total cpu time spent up to now is 30.5 secs Computing kpt #: 35 total cpu time spent up to now is 31.4 secs Computing kpt #: 36 total cpu time spent up to now is 32.3 secs Computing kpt #: 37 total cpu time spent up to now is 33.2 secs Computing kpt #: 38 total cpu time spent up to now is 34.0 secs Computing kpt #: 39 total cpu time spent up to now is 35.1 secs Computing kpt #: 40 total cpu time spent up to now is 35.9 secs Computing kpt #: 41 total cpu time spent up to now is 36.8 secs Computing kpt #: 42 total cpu time spent up to now is 37.7 secs Computing kpt #: 43 total cpu time spent up to now is 38.9 secs Computing kpt #: 44 total cpu time spent up to now is 40.0 secs Computing kpt #: 45 total cpu time spent up to now is 41.0 secs Computing kpt #: 46 total cpu time spent up to now is 42.1 secs Computing kpt #: 47 total cpu time spent up to now is 43.1 secs Computing kpt #: 48 total cpu time spent up to now is 44.1 secs Computing kpt #: 49 total cpu time spent up to now is 45.1 secs Computing kpt #: 50 total cpu time spent up to now is 46.1 secs Computing kpt #: 51 total cpu time spent up to now is 47.2 secs Computing kpt #: 52 total cpu time spent up to now is 48.2 secs Computing kpt #: 53 total cpu time spent up to now is 49.2 secs Computing kpt #: 54 total cpu time spent up to now is 50.2 secs Computing kpt #: 55 total cpu time spent up to now is 51.3 secs Computing kpt #: 56 total cpu time spent up to now is 52.3 secs Computing kpt #: 57 total cpu time spent up to now is 53.4 secs Computing kpt #: 58 total cpu time spent up to now is 54.4 secs Computing kpt #: 59 total cpu time spent up to now is 55.5 secs Computing kpt #: 60 total cpu time spent up to now is 56.5 secs Computing kpt #: 61 total cpu time spent up to now is 57.5 secs Computing kpt #: 62 total cpu time spent up to now is 58.6 secs Computing kpt #: 63 total cpu time spent up to now is 59.5 secs Computing kpt #: 64 total cpu time spent up to now is 60.4 secs Computing kpt #: 65 total cpu time spent up to now is 61.3 secs Computing kpt #: 66 total cpu time spent up to now is 62.1 secs Computing kpt #: 67 total cpu time spent up to now is 63.0 secs Computing kpt #: 68 total cpu time spent up to now is 63.9 secs Computing kpt #: 69 total cpu time spent up to now is 64.8 secs Computing kpt #: 70 total cpu time spent up to now is 65.7 secs Computing kpt #: 71 total cpu time spent up to now is 66.6 secs Computing kpt #: 72 total cpu time spent up to now is 67.5 secs Computing kpt #: 73 total cpu time spent up to now is 68.4 secs Computing kpt #: 74 total cpu time spent up to now is 69.2 secs Computing kpt #: 75 total cpu time spent up to now is 70.1 secs Computing kpt #: 76 total cpu time spent up to now is 71.0 secs Computing kpt #: 77 total cpu time spent up to now is 71.8 secs Computing kpt #: 78 total cpu time spent up to now is 72.7 secs Computing kpt #: 79 total cpu time spent up to now is 73.5 secs Computing kpt #: 80 total cpu time spent up to now is 74.4 secs Computing kpt #: 81 total cpu time spent up to now is 75.2 secs Computing kpt #: 82 total cpu time spent up to now is 76.1 secs Computing kpt #: 83 total cpu time spent up to now is 76.9 secs Computing kpt #: 84 total cpu time spent up to now is 77.8 secs Computing kpt #: 85 total cpu time spent up to now is 78.6 secs Computing kpt #: 86 total cpu time spent up to now is 79.5 secs Computing kpt #: 87 total cpu time spent up to now is 80.4 secs Computing kpt #: 88 total cpu time spent up to now is 81.2 secs Computing kpt #: 89 total cpu time spent up to now is 82.1 secs Computing kpt #: 90 total cpu time spent up to now is 83.0 secs Computing kpt #: 91 total cpu time spent up to now is 83.8 secs Computing kpt #: 92 total cpu time spent up to now is 84.7 secs Computing kpt #: 93 total cpu time spent up to now is 85.6 secs Computing kpt #: 94 total cpu time spent up to now is 86.5 secs Computing kpt #: 95 total cpu time spent up to now is 87.3 secs Computing kpt #: 96 total cpu time spent up to now is 88.2 secs Computing kpt #: 97 total cpu time spent up to now is 89.1 secs Computing kpt #: 98 total cpu time spent up to now is 90.1 secs Computing kpt #: 99 total cpu time spent up to now is 91.2 secs Computing kpt #: 100 total cpu time spent up to now is 92.2 secs Computing kpt #: 101 total cpu time spent up to now is 93.2 secs Computing kpt #: 102 total cpu time spent up to now is 94.3 secs Computing kpt #: 103 total cpu time spent up to now is 95.5 secs Computing kpt #: 104 total cpu time spent up to now is 96.5 secs Computing kpt #: 105 total cpu time spent up to now is 97.6 secs Computing kpt #: 106 total cpu time spent up to now is 98.8 secs Computing kpt #: 107 total cpu time spent up to now is 99.8 secs Computing kpt #: 108 total cpu time spent up to now is 100.9 secs Computing kpt #: 109 total cpu time spent up to now is 101.9 secs Computing kpt #: 110 total cpu time spent up to now is 103.0 secs Computing kpt #: 111 total cpu time spent up to now is 104.0 secs Computing kpt #: 112 total cpu time spent up to now is 105.1 secs Computing kpt #: 113 total cpu time spent up to now is 105.9 secs Computing kpt #: 114 total cpu time spent up to now is 106.7 secs Computing kpt #: 115 total cpu time spent up to now is 107.6 secs Computing kpt #: 116 total cpu time spent up to now is 108.4 secs Computing kpt #: 117 total cpu time spent up to now is 109.3 secs Computing kpt #: 118 total cpu time spent up to now is 110.1 secs Computing kpt #: 119 total cpu time spent up to now is 110.9 secs Computing kpt #: 120 total cpu time spent up to now is 111.7 secs Computing kpt #: 121 total cpu time spent up to now is 112.5 secs Computing kpt #: 122 total cpu time spent up to now is 113.3 secs Computing kpt #: 123 total cpu time spent up to now is 114.2 secs Computing kpt #: 124 total cpu time spent up to now is 115.0 secs Computing kpt #: 125 total cpu time spent up to now is 115.8 secs Computing kpt #: 126 total cpu time spent up to now is 116.6 secs Computing kpt #: 127 total cpu time spent up to now is 117.4 secs Computing kpt #: 128 total cpu time spent up to now is 118.2 secs Computing kpt #: 129 total cpu time spent up to now is 119.0 secs Computing kpt #: 130 total cpu time spent up to now is 119.8 secs Computing kpt #: 131 total cpu time spent up to now is 120.5 secs Computing kpt #: 132 total cpu time spent up to now is 121.3 secs Computing kpt #: 133 total cpu time spent up to now is 122.1 secs Computing kpt #: 134 total cpu time spent up to now is 122.9 secs Computing kpt #: 135 total cpu time spent up to now is 123.7 secs Computing kpt #: 136 total cpu time spent up to now is 124.5 secs Computing kpt #: 137 total cpu time spent up to now is 125.3 secs Computing kpt #: 138 total cpu time spent up to now is 126.0 secs Computing kpt #: 139 total cpu time spent up to now is 126.8 secs Computing kpt #: 140 total cpu time spent up to now is 127.6 secs Computing kpt #: 141 total cpu time spent up to now is 128.4 secs Computing kpt #: 142 total cpu time spent up to now is 129.1 secs Computing kpt #: 143 total cpu time spent up to now is 129.9 secs Computing kpt #: 144 total cpu time spent up to now is 130.7 secs Computing kpt #: 145 total cpu time spent up to now is 131.4 secs Computing kpt #: 146 total cpu time spent up to now is 132.2 secs Computing kpt #: 147 total cpu time spent up to now is 133.0 secs Computing kpt #: 148 total cpu time spent up to now is 133.8 secs Computing kpt #: 149 total cpu time spent up to now is 134.5 secs Computing kpt #: 150 total cpu time spent up to now is 135.3 secs Computing kpt #: 151 total cpu time spent up to now is 136.1 secs Computing kpt #: 152 total cpu time spent up to now is 136.9 secs Computing kpt #: 153 total cpu time spent up to now is 137.7 secs Computing kpt #: 154 total cpu time spent up to now is 138.5 secs Computing kpt #: 155 total cpu time spent up to now is 139.3 secs Computing kpt #: 156 total cpu time spent up to now is 140.1 secs Computing kpt #: 157 total cpu time spent up to now is 140.9 secs Computing kpt #: 158 total cpu time spent up to now is 141.7 secs Computing kpt #: 159 total cpu time spent up to now is 142.5 secs Computing kpt #: 160 total cpu time spent up to now is 143.3 secs Computing kpt #: 161 total cpu time spent up to now is 144.2 secs Computing kpt #: 162 total cpu time spent up to now is 145.0 secs Computing kpt #: 163 total cpu time spent up to now is 145.9 secs Computing kpt #: 164 total cpu time spent up to now is 146.7 secs Computing kpt #: 165 total cpu time spent up to now is 147.6 secs Computing kpt #: 166 total cpu time spent up to now is 148.6 secs Computing kpt #: 167 total cpu time spent up to now is 149.5 secs Computing kpt #: 168 total cpu time spent up to now is 150.3 secs Computing kpt #: 169 total cpu time spent up to now is 151.2 secs Computing kpt #: 170 total cpu time spent up to now is 152.2 secs Computing kpt #: 171 total cpu time spent up to now is 153.3 secs Computing kpt #: 172 total cpu time spent up to now is 154.2 secs Computing kpt #: 173 total cpu time spent up to now is 155.0 secs Computing kpt #: 174 total cpu time spent up to now is 155.9 secs Computing kpt #: 175 total cpu time spent up to now is 157.0 secs Computing kpt #: 176 total cpu time spent up to now is 157.9 secs Computing kpt #: 177 total cpu time spent up to now is 158.7 secs Computing kpt #: 178 total cpu time spent up to now is 159.8 secs Computing kpt #: 179 total cpu time spent up to now is 160.7 secs Computing kpt #: 180 total cpu time spent up to now is 161.6 secs Computing kpt #: 181 total cpu time spent up to now is 162.6 secs Computing kpt #: 182 total cpu time spent up to now is 163.6 secs Computing kpt #: 183 total cpu time spent up to now is 164.7 secs Computing kpt #: 184 total cpu time spent up to now is 165.6 secs Computing kpt #: 185 total cpu time spent up to now is 166.5 secs Computing kpt #: 186 total cpu time spent up to now is 167.3 secs Computing kpt #: 187 total cpu time spent up to now is 168.2 secs Computing kpt #: 188 total cpu time spent up to now is 169.0 secs Computing kpt #: 189 total cpu time spent up to now is 169.9 secs Computing kpt #: 190 total cpu time spent up to now is 170.7 secs Computing kpt #: 191 total cpu time spent up to now is 171.6 secs Computing kpt #: 192 total cpu time spent up to now is 172.4 secs Computing kpt #: 193 total cpu time spent up to now is 173.3 secs Computing kpt #: 194 total cpu time spent up to now is 174.2 secs Computing kpt #: 195 total cpu time spent up to now is 175.0 secs Computing kpt #: 196 total cpu time spent up to now is 175.9 secs Computing kpt #: 197 total cpu time spent up to now is 176.8 secs Computing kpt #: 198 total cpu time spent up to now is 177.6 secs Computing kpt #: 199 total cpu time spent up to now is 178.5 secs Computing kpt #: 200 total cpu time spent up to now is 179.4 secs Computing kpt #: 201 total cpu time spent up to now is 180.2 secs Computing kpt #: 202 total cpu time spent up to now is 181.1 secs Computing kpt #: 203 total cpu time spent up to now is 182.0 secs Computing kpt #: 204 total cpu time spent up to now is 182.8 secs Computing kpt #: 205 total cpu time spent up to now is 183.7 secs Computing kpt #: 206 total cpu time spent up to now is 184.6 secs Computing kpt #: 207 total cpu time spent up to now is 185.5 secs Computing kpt #: 208 total cpu time spent up to now is 186.3 secs Computing kpt #: 209 total cpu time spent up to now is 187.2 secs Computing kpt #: 210 total cpu time spent up to now is 188.1 secs Computing kpt #: 211 total cpu time spent up to now is 188.9 secs Computing kpt #: 212 total cpu time spent up to now is 189.8 secs Computing kpt #: 213 total cpu time spent up to now is 190.7 secs Computing kpt #: 214 total cpu time spent up to now is 191.5 secs Computing kpt #: 215 total cpu time spent up to now is 192.4 secs Computing kpt #: 216 total cpu time spent up to now is 193.2 secs Computing kpt #: 217 total cpu time spent up to now is 194.1 secs Computing kpt #: 218 total cpu time spent up to now is 194.9 secs Computing kpt #: 219 total cpu time spent up to now is 195.8 secs Computing kpt #: 220 total cpu time spent up to now is 196.7 secs Computing kpt #: 221 total cpu time spent up to now is 197.6 secs Computing kpt #: 222 total cpu time spent up to now is 198.5 secs Computing kpt #: 223 total cpu time spent up to now is 199.3 secs Computing kpt #: 224 total cpu time spent up to now is 200.2 secs Computing kpt #: 225 total cpu time spent up to now is 201.1 secs Computing kpt #: 226 total cpu time spent up to now is 201.9 secs Computing kpt #: 227 total cpu time spent up to now is 202.8 secs Computing kpt #: 228 total cpu time spent up to now is 203.6 secs Computing kpt #: 229 total cpu time spent up to now is 204.4 secs Computing kpt #: 230 total cpu time spent up to now is 205.3 secs Computing kpt #: 231 total cpu time spent up to now is 206.1 secs Computing kpt #: 232 total cpu time spent up to now is 207.0 secs Computing kpt #: 233 total cpu time spent up to now is 207.8 secs Computing kpt #: 234 total cpu time spent up to now is 208.7 secs Computing kpt #: 235 total cpu time spent up to now is 209.5 secs Computing kpt #: 236 total cpu time spent up to now is 210.4 secs Computing kpt #: 237 total cpu time spent up to now is 211.2 secs Computing kpt #: 238 total cpu time spent up to now is 212.0 secs Computing kpt #: 239 total cpu time spent up to now is 212.9 secs Computing kpt #: 240 total cpu time spent up to now is 213.7 secs Computing kpt #: 241 total cpu time spent up to now is 214.6 secs Computing kpt #: 242 total cpu time spent up to now is 215.4 secs Computing kpt #: 243 total cpu time spent up to now is 216.3 secs Computing kpt #: 244 total cpu time spent up to now is 217.2 secs Computing kpt #: 245 total cpu time spent up to now is 218.0 secs Computing kpt #: 246 total cpu time spent up to now is 218.9 secs Computing kpt #: 247 total cpu time spent up to now is 219.8 secs Computing kpt #: 248 total cpu time spent up to now is 220.7 secs Computing kpt #: 249 total cpu time spent up to now is 221.6 secs Computing kpt #: 250 total cpu time spent up to now is 222.6 secs Computing kpt #: 251 total cpu time spent up to now is 223.6 secs Computing kpt #: 252 total cpu time spent up to now is 224.6 secs Computing kpt #: 253 total cpu time spent up to now is 225.7 secs Computing kpt #: 254 total cpu time spent up to now is 226.7 secs Computing kpt #: 255 total cpu time spent up to now is 227.9 secs Computing kpt #: 256 total cpu time spent up to now is 228.9 secs Computing kpt #: 257 total cpu time spent up to now is 230.0 secs Computing kpt #: 258 total cpu time spent up to now is 231.1 secs Computing kpt #: 259 total cpu time spent up to now is 232.0 secs Computing kpt #: 260 total cpu time spent up to now is 233.0 secs Computing kpt #: 261 total cpu time spent up to now is 234.0 secs Computing kpt #: 262 total cpu time spent up to now is 235.0 secs Computing kpt #: 263 total cpu time spent up to now is 236.0 secs Computing kpt #: 264 total cpu time spent up to now is 236.9 secs Computing kpt #: 265 total cpu time spent up to now is 237.8 secs Computing kpt #: 266 total cpu time spent up to now is 238.7 secs Computing kpt #: 267 total cpu time spent up to now is 239.5 secs Computing kpt #: 268 total cpu time spent up to now is 240.4 secs Computing kpt #: 269 total cpu time spent up to now is 241.3 secs Computing kpt #: 270 total cpu time spent up to now is 242.1 secs Computing kpt #: 271 total cpu time spent up to now is 243.0 secs Computing kpt #: 272 total cpu time spent up to now is 243.8 secs Computing kpt #: 273 total cpu time spent up to now is 244.7 secs Computing kpt #: 274 total cpu time spent up to now is 245.5 secs Computing kpt #: 275 total cpu time spent up to now is 246.4 secs Computing kpt #: 276 total cpu time spent up to now is 247.3 secs Computing kpt #: 277 total cpu time spent up to now is 248.1 secs Computing kpt #: 278 total cpu time spent up to now is 249.0 secs Computing kpt #: 279 total cpu time spent up to now is 249.8 secs Computing kpt #: 280 total cpu time spent up to now is 250.7 secs Computing kpt #: 281 total cpu time spent up to now is 251.5 secs Computing kpt #: 282 total cpu time spent up to now is 252.3 secs Computing kpt #: 283 total cpu time spent up to now is 253.2 secs Computing kpt #: 284 total cpu time spent up to now is 254.0 secs Computing kpt #: 285 total cpu time spent up to now is 254.9 secs Computing kpt #: 286 total cpu time spent up to now is 255.7 secs ethr = 2.00E-08, avg # of iterations = 18.6 total cpu time spent up to now is 255.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10591 PWs) bands (ev): -41.3769 -41.3769 -23.9565 -23.9565 -21.6502 -21.6502 -21.6396 -21.6396 -21.6366 -21.6366 -20.7249 -20.7249 -20.7247 -20.7247 -8.6978 -8.6978 -5.7437 -5.7437 -5.7434 -5.7434 -5.6164 -5.6164 -3.7279 -3.7279 -3.6258 -3.6258 -3.6050 -3.6050 -2.7617 -2.7617 -2.7583 -2.7583 -1.3661 -1.3661 -1.0517 -1.0517 -1.0471 -1.0471 -0.9240 -0.9240 -0.8855 -0.8855 -0.8826 -0.8826 -0.3119 -0.3119 -0.0970 -0.0970 -0.0743 -0.0743 8.2144 8.2144 11.8869 11.8869 12.8870 12.8870 13.1533 13.1533 13.1824 13.1824 k = 0.0128-0.0080-0.0056 ( 10595 PWs) bands (ev): -41.3769 -41.3769 -23.9564 -23.9564 -21.6502 -21.6502 -21.6396 -21.6396 -21.6367 -21.6367 -20.7250 -20.7250 -20.7247 -20.7247 -8.6973 -8.6973 -5.7437 -5.7437 -5.7430 -5.7430 -5.6162 -5.6162 -3.7273 -3.7273 -3.6254 -3.6254 -3.6046 -3.6046 -2.7623 -2.7623 -2.7589 -2.7589 -1.3659 -1.3659 -1.0521 -1.0521 -1.0474 -1.0474 -0.9246 -0.9246 -0.8864 -0.8864 -0.8832 -0.8832 -0.3117 -0.3117 -0.0971 -0.0971 -0.0744 -0.0744 8.2164 8.2164 11.8859 11.8859 12.8887 12.8887 13.1544 13.1544 13.1836 13.1836 k = 0.0256-0.0161-0.0112 ( 10594 PWs) bands (ev): -41.3769 -41.3769 -23.9559 -23.9559 -21.6502 -21.6502 -21.6399 -21.6399 -21.6369 -21.6369 -20.7252 -20.7252 -20.7248 -20.7248 -8.6960 -8.6960 -5.7438 -5.7438 -5.7414 -5.7414 -5.6155 -5.6155 -3.7257 -3.7257 -3.6244 -3.6244 -3.6035 -3.6035 -2.7641 -2.7641 -2.7606 -2.7606 -1.3652 -1.3652 -1.0535 -1.0535 -1.0479 -1.0479 -0.9263 -0.9263 -0.8894 -0.8894 -0.8845 -0.8845 -0.3110 -0.3110 -0.0973 -0.0973 -0.0747 -0.0747 8.2224 8.2224 11.8829 11.8829 12.8939 12.8939 13.1568 13.1568 13.1880 13.1880 k = 0.0385-0.0241-0.0168 ( 10594 PWs) bands (ev): -41.3769 -41.3769 -23.9552 -23.9552 -21.6502 -21.6502 -21.6405 -21.6405 -21.6372 -21.6372 -20.7256 -20.7256 -20.7249 -20.7249 -8.6937 -8.6937 -5.7442 -5.7442 -5.7387 -5.7387 -5.6143 -5.6143 -3.7230 -3.7230 -3.6228 -3.6228 -3.6015 -3.6015 -2.7671 -2.7671 -2.7635 -2.7635 -1.3641 -1.3641 -1.0563 -1.0563 -1.0485 -1.0485 -0.9294 -0.9294 -0.8945 -0.8945 -0.8864 -0.8864 -0.3100 -0.3100 -0.0978 -0.0978 -0.0751 -0.0751 8.2322 8.2322 11.8780 11.8780 12.9024 12.9024 13.1586 13.1586 13.1976 13.1976 k = 0.0513-0.0321-0.0224 ( 10599 PWs) bands (ev): -41.3769 -41.3769 -23.9543 -23.9543 -21.6503 -21.6503 -21.6415 -21.6415 -21.6373 -21.6373 -20.7261 -20.7261 -20.7251 -20.7251 -8.6905 -8.6905 -5.7447 -5.7447 -5.7350 -5.7350 -5.6126 -5.6126 -3.7193 -3.7193 -3.6209 -3.6209 -3.5984 -3.5984 -2.7714 -2.7714 -2.7674 -2.7674 -1.3626 -1.3626 -1.0607 -1.0607 -1.0489 -1.0489 -0.9340 -0.9340 -0.9013 -0.9013 -0.8886 -0.8886 -0.3085 -0.3085 -0.0984 -0.0984 -0.0758 -0.0758 8.2459 8.2459 11.8715 11.8715 12.9143 12.9143 13.1588 13.1588 13.2130 13.2130 k = 0.0641-0.0401-0.0280 ( 10595 PWs) bands (ev): -41.3769 -41.3769 -23.9530 -23.9530 -21.6506 -21.6506 -21.6427 -21.6427 -21.6373 -21.6373 -20.7268 -20.7268 -20.7253 -20.7253 -8.6864 -8.6864 -5.7454 -5.7454 -5.7302 -5.7302 -5.6103 -5.6103 -3.7145 -3.7145 -3.6189 -3.6189 -3.5941 -3.5941 -2.7769 -2.7769 -2.7722 -2.7722 -1.3607 -1.3607 -1.0669 -1.0669 -1.0493 -1.0493 -0.9407 -0.9407 -0.9090 -0.9090 -0.8912 -0.8912 -0.3067 -0.3067 -0.0992 -0.0992 -0.0766 -0.0766 8.2634 8.2634 11.8634 11.8634 12.9295 12.9295 13.1573 13.1573 13.2341 13.2341 k = 0.0769-0.0482-0.0335 ( 10588 PWs) bands (ev): -41.3769 -41.3769 -23.9515 -23.9515 -21.6514 -21.6514 -21.6438 -21.6438 -21.6372 -21.6372 -20.7276 -20.7276 -20.7255 -20.7255 -8.6815 -8.6815 -5.7464 -5.7464 -5.7244 -5.7244 -5.6074 -5.6074 -3.7087 -3.7087 -3.6168 -3.6168 -3.5885 -3.5885 -2.7836 -2.7836 -2.7780 -2.7780 -1.3586 -1.3586 -1.0749 -1.0749 -1.0498 -1.0498 -0.9499 -0.9499 -0.9168 -0.9168 -0.8940 -0.8940 -0.3046 -0.3046 -0.1002 -0.1002 -0.0776 -0.0776 8.2846 8.2846 11.8541 11.8541 12.9478 12.9478 13.1546 13.1546 13.2602 13.2602 k = 0.0897-0.0562-0.0391 ( 10590 PWs) bands (ev): -41.3769 -41.3769 -23.9497 -23.9497 -21.6529 -21.6529 -21.6446 -21.6446 -21.6370 -21.6370 -20.7286 -20.7286 -20.7258 -20.7258 -8.6758 -8.6758 -5.7476 -5.7476 -5.7176 -5.7176 -5.6040 -5.6040 -3.7020 -3.7020 -3.6149 -3.6149 -3.5816 -3.5816 -2.7914 -2.7914 -2.7847 -2.7847 -1.3562 -1.3562 -1.0850 -1.0850 -1.0504 -1.0504 -0.9619 -0.9619 -0.9240 -0.9240 -0.8969 -0.8969 -0.3022 -0.3022 -0.1015 -0.1015 -0.0788 -0.0788 8.3094 8.3094 11.8439 11.8439 12.9691 12.9691 13.1509 13.1509 13.2907 13.2907 k = 0.1026-0.0642-0.0447 ( 10598 PWs) bands (ev): -41.3769 -41.3769 -23.9477 -23.9477 -21.6553 -21.6553 -21.6450 -21.6450 -21.6368 -21.6368 -20.7297 -20.7297 -20.7261 -20.7261 -8.6692 -8.6692 -5.7491 -5.7491 -5.7099 -5.7099 -5.5999 -5.5999 -3.6944 -3.6944 -3.6130 -3.6130 -3.5733 -3.5733 -2.8002 -2.8002 -2.7922 -2.7922 -1.3537 -1.3537 -1.0974 -1.0974 -1.0513 -1.0513 -0.9764 -0.9764 -0.9304 -0.9304 -0.8999 -0.8999 -0.2996 -0.2996 -0.1030 -0.1030 -0.0801 -0.0801 8.3377 8.3377 11.8329 11.8329 12.9933 12.9933 13.1464 13.1464 13.3252 13.3252 k = 0.1154-0.0722-0.0503 ( 10604 PWs) bands (ev): -41.3769 -41.3769 -23.9455 -23.9455 -21.6584 -21.6584 -21.6450 -21.6450 -21.6364 -21.6364 -20.7309 -20.7309 -20.7265 -20.7265 -8.6619 -8.6619 -5.7508 -5.7508 -5.7012 -5.7012 -5.5951 -5.5951 -3.6859 -3.6859 -3.6112 -3.6112 -3.5639 -3.5639 -2.8098 -2.8098 -2.8006 -2.8006 -1.3512 -1.3512 -1.1121 -1.1121 -1.0527 -1.0527 -0.9925 -0.9925 -0.9362 -0.9362 -0.9027 -0.9027 -0.2968 -0.2968 -0.1047 -0.1047 -0.0816 -0.0816 8.3693 8.3693 11.8215 11.8215 13.0199 13.0199 13.1413 13.1413 13.3632 13.3632 k = 0.1282-0.0803-0.0559 ( 10590 PWs) bands (ev): -41.3769 -41.3769 -23.9430 -23.9430 -21.6620 -21.6620 -21.6448 -21.6448 -21.6359 -21.6359 -20.7323 -20.7323 -20.7269 -20.7269 -8.6539 -8.6539 -5.7529 -5.7529 -5.6916 -5.6916 -5.5896 -5.5896 -3.6767 -3.6767 -3.6094 -3.6094 -3.5533 -3.5533 -2.8202 -2.8202 -2.8097 -2.8097 -1.3487 -1.3487 -1.1294 -1.1294 -1.0553 -1.0553 -1.0093 -1.0093 -0.9414 -0.9414 -0.9055 -0.9055 -0.2938 -0.2938 -0.1068 -0.1068 -0.0832 -0.0832 8.4040 8.4040 11.8098 11.8098 13.0479 13.0479 13.1366 13.1366 13.4045 13.4045 k = 0.1410-0.0883-0.0615 ( 10589 PWs) bands (ev): -41.3769 -41.3769 -23.9404 -23.9404 -21.6661 -21.6661 -21.6445 -21.6445 -21.6354 -21.6354 -20.7337 -20.7337 -20.7273 -20.7273 -8.6452 -8.6452 -5.7553 -5.7553 -5.6813 -5.6813 -5.5834 -5.5834 -3.6669 -3.6669 -3.6076 -3.6076 -3.5417 -3.5417 -2.8312 -2.8312 -2.8196 -2.8196 -1.3465 -1.3465 -1.1492 -1.1492 -1.0607 -1.0607 -1.0246 -1.0246 -0.9460 -0.9460 -0.9080 -0.9080 -0.2908 -0.2908 -0.1092 -0.1092 -0.0850 -0.0850 8.4416 8.4416 11.7982 11.7982 13.0741 13.0741 13.1352 13.1352 13.4486 13.4486 k = 0.1538-0.0963-0.0671 ( 10597 PWs) bands (ev): -41.3769 -41.3769 -23.9375 -23.9375 -21.6705 -21.6705 -21.6441 -21.6441 -21.6348 -21.6348 -20.7353 -20.7353 -20.7278 -20.7278 -8.6358 -8.6358 -5.7581 -5.7581 -5.6701 -5.6701 -5.5765 -5.5765 -3.6565 -3.6565 -3.6059 -3.6059 -3.5293 -3.5293 -2.8427 -2.8427 -2.8302 -2.8302 -1.3447 -1.3447 -1.1714 -1.1714 -1.0714 -1.0714 -1.0355 -1.0355 -0.9502 -0.9502 -0.9103 -0.9103 -0.2877 -0.2877 -0.1119 -0.1119 -0.0868 -0.0868 8.4820 8.4820 11.7869 11.7869 13.0886 13.0886 13.1468 13.1468 13.4953 13.4953 k = 0.1667-0.1043-0.0727 ( 10597 PWs) bands (ev): -41.3769 -41.3769 -23.9345 -23.9345 -21.6752 -21.6752 -21.6438 -21.6438 -21.6340 -21.6340 -20.7370 -20.7370 -20.7283 -20.7283 -8.6259 -8.6259 -5.7611 -5.7611 -5.6583 -5.6583 -5.5689 -5.5689 -3.6458 -3.6458 -3.6041 -3.6041 -3.5159 -3.5159 -2.8544 -2.8544 -2.8412 -2.8412 -1.3437 -1.3437 -1.1957 -1.1957 -1.0879 -1.0879 -1.0414 -1.0414 -0.9538 -0.9538 -0.9124 -0.9124 -0.2846 -0.2846 -0.1150 -0.1150 -0.0888 -0.0888 8.5250 8.5250 11.7760 11.7760 13.0865 13.0865 13.1759 13.1759 13.5441 13.5441 k = 0.1795-0.1124-0.0783 ( 10600 PWs) bands (ev): -41.3769 -41.3769 -23.9313 -23.9313 -21.6802 -21.6802 -21.6435 -21.6435 -21.6332 -21.6332 -20.7387 -20.7387 -20.7288 -20.7288 -8.6155 -8.6155 -5.7644 -5.7644 -5.6458 -5.6458 -5.5605 -5.5605 -3.6350 -3.6350 -3.6023 -3.6023 -3.5018 -3.5018 -2.8665 -2.8665 -2.8526 -2.8526 -1.3438 -1.3438 -1.2217 -1.2217 -1.1077 -1.1077 -1.0447 -1.0447 -0.9569 -0.9569 -0.9141 -0.9141 -0.2815 -0.2815 -0.1184 -0.1184 -0.0908 -0.0908 8.5703 8.5703 11.7657 11.7657 13.0767 13.0767 13.2135 13.2135 13.5947 13.5947 k = 0.1923-0.1204-0.0839 ( 10600 PWs) bands (ev): -41.3769 -41.3769 -23.9279 -23.9279 -21.6855 -21.6855 -21.6431 -21.6431 -21.6323 -21.6323 -20.7405 -20.7405 -20.7294 -20.7294 -8.6047 -8.6047 -5.7680 -5.7680 -5.6328 -5.6328 -5.5514 -5.5514 -3.6245 -3.6245 -3.6001 -3.6001 -3.4870 -3.4870 -2.8786 -2.8786 -2.8641 -2.8641 -1.3459 -1.3459 -1.2483 -1.2483 -1.1291 -1.1291 -1.0469 -1.0469 -0.9593 -0.9593 -0.9156 -0.9156 -0.2785 -0.2785 -0.1221 -0.1221 -0.0929 -0.0929 8.6176 8.6176 11.7563 11.7563 13.0631 13.0631 13.2553 13.2553 13.6466 13.6466 k = 0.2051-0.1284-0.0894 ( 10602 PWs) bands (ev): -41.3769 -41.3769 -23.9245 -23.9245 -21.6909 -21.6909 -21.6428 -21.6428 -21.6313 -21.6313 -20.7424 -20.7424 -20.7299 -20.7299 -8.5934 -8.5934 -5.7718 -5.7718 -5.6194 -5.6194 -5.5416 -5.5416 -3.6156 -3.6156 -3.5966 -3.5966 -3.4716 -3.4716 -2.8911 -2.8911 -2.8754 -2.8754 -1.3516 -1.3516 -1.2737 -1.2737 -1.1513 -1.1513 -1.0487 -1.0487 -0.9610 -0.9610 -0.9168 -0.9168 -0.2755 -0.2755 -0.1261 -0.1261 -0.0950 -0.0950 8.6668 8.6668 11.7477 11.7477 13.0470 13.0470 13.2998 13.2998 13.6992 13.6992 k = 0.2179-0.1364-0.0950 ( 10596 PWs) bands (ev): -41.3769 -41.3769 -23.9209 -23.9209 -21.6965 -21.6965 -21.6426 -21.6426 -21.6302 -21.6302 -20.7443 -20.7443 -20.7305 -20.7305 -8.5818 -8.5818 -5.7758 -5.7758 -5.6056 -5.6056 -5.5310 -5.5310 -3.6103 -3.6103 -3.5899 -3.5899 -3.4556 -3.4556 -2.9038 -2.9038 -2.8860 -2.8860 -1.3639 -1.3639 -1.2949 -1.2949 -1.1740 -1.1740 -1.0503 -1.0503 -0.9621 -0.9621 -0.9178 -0.9178 -0.2727 -0.2727 -0.1305 -0.1305 -0.0971 -0.0971 8.7176 8.7176 11.7402 11.7402 13.0285 13.0285 13.3464 13.3464 13.7515 13.7515 k = 0.2308-0.1445-0.1006 ( 10598 PWs) bands (ev): -41.3769 -41.3769 -23.9173 -23.9173 -21.7022 -21.7022 -21.6423 -21.6423 -21.6290 -21.6290 -20.7463 -20.7463 -20.7311 -20.7311 -8.5700 -8.5700 -5.7800 -5.7800 -5.5916 -5.5916 -5.5198 -5.5198 -3.6085 -3.6085 -3.5803 -3.5803 -3.4391 -3.4391 -2.9170 -2.9170 -2.8956 -2.8956 -1.3850 -1.3850 -1.3094 -1.3094 -1.1969 -1.1969 -1.0517 -1.0517 -0.9624 -0.9624 -0.9185 -0.9185 -0.2699 -0.2699 -0.1351 -0.1351 -0.0993 -0.0993 8.7696 8.7696 11.7338 11.7338 13.0077 13.0077 13.3947 13.3947 13.8021 13.8021 k = 0.2436-0.1525-0.1062 ( 10596 PWs) bands (ev): -41.3769 -41.3769 -23.9136 -23.9136 -21.7079 -21.7079 -21.6421 -21.6421 -21.6279 -21.6279 -20.7483 -20.7483 -20.7316 -20.7316 -8.5580 -8.5580 -5.7844 -5.7844 -5.5774 -5.5774 -5.5079 -5.5079 -3.6088 -3.6088 -3.5694 -3.5694 -3.4222 -3.4222 -2.9307 -2.9307 -2.9038 -2.9038 -1.4133 -1.4133 -1.3186 -1.3186 -1.2199 -1.2199 -1.0531 -1.0531 -0.9620 -0.9620 -0.9189 -0.9189 -0.2674 -0.2674 -0.1400 -0.1400 -0.1015 -0.1015 8.8226 8.8226 11.7287 11.7287 12.9847 12.9847 13.4441 13.4441 13.8485 13.8485 k = 0.2564-0.1605-0.1118 ( 10593 PWs) bands (ev): -41.3769 -41.3769 -23.9099 -23.9099 -21.7137 -21.7137 -21.6419 -21.6419 -21.6266 -21.6266 -20.7503 -20.7503 -20.7322 -20.7322 -8.5460 -8.5460 -5.7888 -5.7888 -5.5634 -5.5634 -5.4953 -5.4953 -3.6106 -3.6106 -3.5582 -3.5582 -3.4050 -3.4050 -2.9447 -2.9447 -2.9105 -2.9105 -1.4455 -1.4455 -1.3257 -1.3257 -1.2427 -1.2427 -1.0544 -1.0544 -0.9610 -0.9610 -0.9192 -0.9192 -0.2650 -0.2650 -0.1451 -0.1451 -0.1036 -0.1036 8.8763 8.8763 11.7249 11.7249 12.9594 12.9594 13.4942 13.4942 13.8868 13.8868 k = 0.2692-0.1685-0.1174 ( 10594 PWs) bands (ev): -41.3769 -41.3769 -23.9062 -23.9062 -21.7195 -21.7195 -21.6417 -21.6417 -21.6254 -21.6254 -20.7523 -20.7523 -20.7328 -20.7328 -8.5339 -8.5339 -5.7933 -5.7933 -5.5494 -5.5494 -5.4821 -5.4821 -3.6136 -3.6136 -3.5470 -3.5470 -3.3875 -3.3875 -2.9589 -2.9589 -2.9155 -2.9155 -1.4798 -1.4798 -1.3326 -1.3326 -1.2650 -1.2650 -1.0555 -1.0555 -0.9593 -0.9593 -0.9193 -0.9193 -0.2628 -0.2628 -0.1503 -0.1503 -0.1058 -0.1058 8.9304 8.9304 11.7225 11.7225 12.9319 12.9319 13.5442 13.5442 13.9140 13.9140 k = 0.2821-0.1766-0.1230 ( 10592 PWs) bands (ev): -41.3769 -41.3769 -23.9025 -23.9025 -21.7253 -21.7253 -21.6416 -21.6416 -21.6241 -21.6241 -20.7543 -20.7543 -20.7334 -20.7334 -8.5218 -8.5218 -5.7979 -5.7979 -5.5357 -5.5357 -5.4684 -5.4684 -3.6178 -3.6178 -3.5360 -3.5360 -3.3698 -3.3698 -2.9731 -2.9731 -2.9189 -2.9189 -1.5150 -1.5150 -1.3405 -1.3405 -1.2861 -1.2861 -1.0565 -1.0565 -0.9570 -0.9570 -0.9192 -0.9192 -0.2609 -0.2609 -0.1556 -0.1556 -0.1079 -0.1079 8.9846 8.9846 11.7216 11.7216 12.9023 12.9023 13.5931 13.5931 13.9314 13.9314 k = 0.2949-0.1846-0.1286 ( 10592 PWs) bands (ev): -41.3769 -41.3769 -23.8989 -23.8989 -21.7310 -21.7310 -21.6414 -21.6414 -21.6228 -21.6228 -20.7562 -20.7562 -20.7340 -20.7340 -8.5099 -8.5099 -5.8024 -5.8024 -5.5223 -5.5223 -5.4541 -5.4541 -3.6232 -3.6232 -3.5253 -3.5253 -3.3520 -3.3520 -2.9873 -2.9873 -2.9206 -2.9206 -1.5505 -1.5505 -1.3507 -1.3507 -1.3052 -1.3052 -1.0572 -1.0572 -0.9542 -0.9542 -0.9189 -0.9189 -0.2592 -0.2592 -0.1609 -0.1609 -0.1100 -0.1100 9.0385 9.0385 11.7223 11.7223 12.8707 12.8707 13.6393 13.6393 13.9445 13.9445 k = 0.3077-0.1926-0.1342 ( 10595 PWs) bands (ev): -41.3769 -41.3769 -23.8953 -23.8953 -21.7366 -21.7366 -21.6413 -21.6413 -21.6216 -21.6216 -20.7582 -20.7582 -20.7345 -20.7345 -8.4982 -8.4982 -5.8069 -5.8069 -5.5094 -5.5094 -5.4396 -5.4396 -3.6297 -3.6297 -3.5150 -3.5150 -3.3342 -3.3342 -3.0013 -3.0013 -2.9207 -2.9207 -1.5859 -1.5859 -1.3640 -1.3640 -1.3212 -1.3212 -1.0578 -1.0578 -0.9510 -0.9510 -0.9186 -0.9186 -0.2578 -0.2578 -0.1661 -0.1661 -0.1120 -0.1120 9.0917 9.0917 11.7245 11.7245 12.8372 12.8372 13.6807 13.6807 13.9595 13.9595 k = 0.3205-0.2006-0.1398 ( 10593 PWs) bands (ev): -41.3769 -41.3769 -23.8918 -23.8918 -21.7420 -21.7420 -21.6412 -21.6412 -21.6204 -21.6204 -20.7600 -20.7600 -20.7351 -20.7351 -8.4868 -8.4868 -5.8113 -5.8113 -5.4969 -5.4969 -5.4248 -5.4248 -3.6373 -3.6373 -3.5051 -3.5051 -3.3165 -3.3165 -3.0149 -3.0149 -2.9192 -2.9192 -1.6207 -1.6207 -1.3806 -1.3806 -1.3339 -1.3339 -1.0583 -1.0583 -0.9475 -0.9475 -0.9181 -0.9181 -0.2567 -0.2567 -0.1713 -0.1713 -0.1139 -0.1139 9.1439 9.1439 11.7284 11.7284 12.8020 12.8020 13.7149 13.7149 13.9809 13.9809 k = 0.3333-0.2087-0.1453 ( 10591 PWs) bands (ev): -41.3769 -41.3769 -23.8884 -23.8884 -21.7472 -21.7472 -21.6410 -21.6410 -21.6192 -21.6192 -20.7618 -20.7618 -20.7356 -20.7356 -8.4758 -8.4758 -5.8156 -5.8156 -5.4850 -5.4850 -5.4099 -5.4099 -3.6458 -3.6458 -3.4956 -3.4956 -3.2991 -3.2991 -3.0280 -3.0280 -2.9164 -2.9164 -1.6548 -1.6548 -1.3993 -1.3993 -1.3442 -1.3442 -1.0585 -1.0585 -0.9437 -0.9437 -0.9174 -0.9174 -0.2560 -0.2560 -0.1762 -0.1762 -0.1158 -0.1158 9.1948 9.1948 11.7338 11.7338 12.7653 12.7653 13.7402 13.7402 14.0116 14.0116 k = 0.3462-0.2167-0.1509 ( 10591 PWs) bands (ev): -41.3769 -41.3769 -23.8852 -23.8852 -21.7522 -21.7522 -21.6409 -21.6409 -21.6180 -21.6180 -20.7636 -20.7636 -20.7361 -20.7361 -8.4652 -8.4652 -5.8197 -5.8197 -5.4737 -5.4737 -5.3952 -5.3952 -3.6550 -3.6550 -3.4866 -3.4866 -3.2821 -3.2821 -3.0405 -3.0405 -2.9124 -2.9124 -1.6877 -1.6877 -1.4187 -1.4187 -1.3533 -1.3533 -1.0587 -1.0587 -0.9397 -0.9397 -0.9167 -0.9167 -0.2556 -0.2556 -0.1808 -0.1808 -0.1176 -0.1176 9.2440 9.2440 11.7410 11.7410 12.7275 12.7275 13.7569 13.7569 14.0520 14.0520 k = 0.3590-0.2247-0.1565 ( 10588 PWs) bands (ev): -41.3769 -41.3769 -23.8821 -23.8821 -21.7570 -21.7570 -21.6408 -21.6408 -21.6169 -21.6169 -20.7652 -20.7652 -20.7366 -20.7366 -8.4552 -8.4552 -5.8236 -5.8236 -5.4629 -5.4629 -5.3808 -5.3808 -3.6648 -3.6648 -3.4782 -3.4782 -3.2657 -3.2657 -3.0522 -3.0522 -2.9074 -2.9074 -1.7193 -1.7193 -1.4380 -1.4380 -1.3617 -1.3617 -1.0587 -1.0587 -0.9358 -0.9358 -0.9158 -0.9158 -0.2557 -0.2557 -0.1851 -0.1851 -0.1192 -0.1192 9.2910 9.2910 11.7497 11.7497 12.6889 12.6889 13.7667 13.7667 14.1005 14.1005 k = 0.3718-0.2327-0.1621 ( 10587 PWs) bands (ev): -41.3769 -41.3769 -23.8792 -23.8792 -21.7614 -21.7614 -21.6408 -21.6408 -21.6159 -21.6159 -20.7667 -20.7667 -20.7370 -20.7370 -8.4458 -8.4458 -5.8274 -5.8274 -5.4529 -5.4529 -5.3668 -5.3668 -3.6749 -3.6749 -3.4703 -3.4703 -3.2500 -3.2500 -3.0631 -3.0631 -2.9018 -2.9018 -1.7493 -1.7493 -1.4567 -1.4567 -1.3697 -1.3697 -1.0587 -1.0587 -0.9321 -0.9321 -0.9146 -0.9146 -0.2561 -0.2561 -0.1889 -0.1889 -0.1207 -0.1207 9.3356 9.3356 11.7599 11.7599 12.6499 12.6499 13.7719 13.7719 14.1549 14.1549 k = 0.3846-0.2408-0.1677 ( 10585 PWs) bands (ev): -41.3769 -41.3769 -23.8765 -23.8765 -21.7656 -21.7656 -21.6407 -21.6407 -21.6149 -21.6149 -20.7682 -20.7682 -20.7375 -20.7375 -8.4370 -8.4370 -5.8308 -5.8308 -5.4436 -5.4436 -5.3534 -5.3534 -3.6850 -3.6850 -3.4631 -3.4631 -3.2351 -3.2351 -3.0730 -3.0730 -2.8957 -2.8957 -1.7774 -1.7774 -1.4745 -1.4745 -1.3772 -1.3772 -1.0586 -1.0586 -0.9287 -0.9287 -0.9132 -0.9132 -0.2568 -0.2568 -0.1923 -0.1923 -0.1221 -0.1221 9.3773 9.3773 11.7715 11.7715 12.6109 12.6109 13.7743 13.7743 14.2136 14.2136 k = 0.3974-0.2488-0.1733 ( 10590 PWs) bands (ev): -41.3769 -41.3769 -23.8740 -23.8740 -21.7693 -21.7693 -21.6406 -21.6406 -21.6141 -21.6141 -20.7695 -20.7695 -20.7378 -20.7378 -8.4290 -8.4290 -5.8340 -5.8340 -5.4351 -5.4351 -5.3409 -5.3409 -3.6950 -3.6950 -3.4565 -3.4565 -3.2214 -3.2214 -3.0818 -3.0818 -2.8894 -2.8894 -1.8033 -1.8033 -1.4911 -1.4911 -1.3842 -1.3842 -1.0584 -1.0584 -0.9258 -0.9258 -0.9115 -0.9115 -0.2579 -0.2579 -0.1952 -0.1952 -0.1234 -0.1234 9.4159 9.4159 11.7844 11.7844 12.5725 12.5725 13.7750 13.7750 14.2751 14.2751 k = 0.4103-0.2568-0.1789 ( 10593 PWs) bands (ev): -41.3769 -41.3769 -23.8718 -23.8718 -21.7727 -21.7727 -21.6405 -21.6405 -21.6133 -21.6133 -20.7706 -20.7706 -20.7382 -20.7382 -8.4218 -8.4218 -5.8369 -5.8369 -5.4274 -5.4274 -5.3294 -5.3294 -3.7045 -3.7045 -3.4506 -3.4506 -3.2089 -3.2089 -3.0895 -3.0895 -2.8832 -2.8832 -1.8269 -1.8269 -1.5063 -1.5063 -1.3907 -1.3907 -1.0582 -1.0582 -0.9235 -0.9235 -0.9094 -0.9094 -0.2592 -0.2592 -0.1975 -0.1975 -0.1245 -0.1245 9.4508 9.4508 11.7982 11.7982 12.5352 12.5352 13.7747 13.7747 14.3388 14.3388 k = 0.4231-0.2648-0.1845 ( 10596 PWs) bands (ev): -41.3769 -41.3769 -23.8699 -23.8699 -21.7757 -21.7757 -21.6405 -21.6405 -21.6126 -21.6126 -20.7717 -20.7717 -20.7385 -20.7385 -8.4154 -8.4154 -5.8394 -5.8394 -5.4206 -5.4206 -5.3191 -5.3191 -3.7133 -3.7133 -3.4455 -3.4455 -3.1979 -3.1979 -3.0960 -3.0960 -2.8773 -2.8773 -1.8478 -1.8478 -1.5198 -1.5198 -1.3966 -1.3966 -1.0581 -1.0581 -0.9218 -0.9218 -0.9072 -0.9072 -0.2606 -0.2606 -0.1995 -0.1995 -0.1255 -0.1255 9.4818 9.4818 11.8125 11.8125 12.4998 12.4998 13.7740 13.7740 14.4040 14.4040 k = 0.4359-0.2729-0.1901 ( 10599 PWs) bands (ev): -41.3769 -41.3769 -23.8682 -23.8682 -21.7783 -21.7783 -21.6405 -21.6405 -21.6119 -21.6119 -20.7726 -20.7726 -20.7387 -20.7387 -8.4099 -8.4099 -5.8416 -5.8416 -5.4148 -5.4148 -5.3100 -5.3100 -3.7212 -3.7212 -3.4411 -3.4411 -3.1885 -3.1885 -3.1013 -3.1013 -2.8719 -2.8719 -1.8660 -1.8660 -1.5316 -1.5316 -1.4018 -1.4018 -1.0579 -1.0579 -0.9206 -0.9206 -0.9049 -0.9049 -0.2620 -0.2620 -0.2010 -0.2010 -0.1263 -0.1263 9.5087 9.5087 11.8268 11.8268 12.4671 12.4671 13.7730 13.7730 14.4702 14.4702 k = 0.4487-0.2809-0.1957 ( 10591 PWs) bands (ev): -41.3769 -41.3769 -23.8668 -23.8668 -21.7805 -21.7805 -21.6404 -21.6404 -21.6114 -21.6114 -20.7733 -20.7733 -20.7389 -20.7389 -8.4053 -8.4053 -5.8435 -5.8435 -5.4099 -5.4099 -5.3025 -5.3025 -3.7279 -3.7279 -3.4375 -3.4375 -3.1808 -3.1808 -3.1054 -3.1054 -2.8671 -2.8671 -1.8811 -1.8811 -1.5415 -1.5415 -1.4061 -1.4061 -1.0577 -1.0577 -0.9197 -0.9197 -0.9028 -0.9028 -0.2633 -0.2633 -0.2022 -0.2022 -0.1270 -0.1270 9.5310 9.5310 11.8405 11.8405 12.4380 12.4380 13.7721 13.7721 14.5372 14.5372 k = 0.4615-0.2889-0.2012 ( 10597 PWs) bands (ev): -41.3769 -41.3769 -23.8657 -23.8657 -21.7821 -21.7821 -21.6404 -21.6404 -21.6110 -21.6110 -20.7739 -20.7739 -20.7391 -20.7391 -8.4018 -8.4018 -5.8449 -5.8449 -5.4061 -5.4061 -5.2964 -5.2964 -3.7334 -3.7334 -3.4348 -3.4348 -3.1749 -3.1749 -3.1083 -3.1083 -2.8633 -2.8633 -1.8931 -1.8931 -1.5493 -1.5493 -1.4096 -1.4096 -1.0576 -1.0576 -0.9191 -0.9191 -0.9010 -0.9010 -0.2645 -0.2645 -0.2031 -0.2031 -0.1276 -0.1276 9.5486 9.5486 11.8526 11.8526 12.4136 12.4136 13.7713 13.7713 14.6043 14.6043 k = 0.4744-0.2970-0.2068 ( 10596 PWs) bands (ev): -41.3769 -41.3769 -23.8649 -23.8649 -21.7833 -21.7833 -21.6404 -21.6404 -21.6108 -21.6108 -20.7743 -20.7743 -20.7392 -20.7392 -8.3992 -8.3992 -5.8459 -5.8459 -5.4033 -5.4033 -5.2920 -5.2920 -3.7374 -3.7374 -3.4328 -3.4328 -3.1708 -3.1708 -3.1102 -3.1102 -2.8605 -2.8605 -1.9018 -1.9018 -1.5549 -1.5549 -1.4121 -1.4121 -1.0575 -1.0575 -0.9186 -0.9186 -0.8997 -0.8997 -0.2653 -0.2653 -0.2036 -0.2036 -0.1279 -0.1279 9.5614 9.5614 11.8623 11.8623 12.3951 12.3951 13.7707 13.7707 14.6704 14.6704 k = 0.4872-0.3050-0.2124 ( 10599 PWs) bands (ev): -41.3769 -41.3769 -23.8644 -23.8644 -21.7841 -21.7841 -21.6404 -21.6404 -21.6106 -21.6106 -20.7746 -20.7746 -20.7393 -20.7393 -8.3976 -8.3976 -5.8465 -5.8465 -5.4017 -5.4017 -5.2894 -5.2894 -3.7398 -3.7398 -3.4316 -3.4316 -3.1684 -3.1684 -3.1112 -3.1112 -2.8587 -2.8587 -1.9070 -1.9070 -1.5584 -1.5584 -1.4137 -1.4137 -1.0575 -1.0575 -0.9184 -0.9184 -0.8988 -0.8988 -0.2659 -0.2659 -0.2040 -0.2040 -0.1282 -0.1282 9.5691 9.5691 11.8686 11.8686 12.3835 12.3835 13.7703 13.7703 14.7314 14.7314 k = 0.5000-0.3130-0.2180 ( 10600 PWs) bands (ev): -41.3769 -41.3769 -23.8643 -23.8643 -21.7843 -21.7843 -21.6404 -21.6404 -21.6105 -21.6105 -20.7746 -20.7746 -20.7393 -20.7393 -8.3971 -8.3971 -5.8468 -5.8468 -5.4011 -5.4011 -5.2885 -5.2885 -3.7406 -3.7406 -3.4312 -3.4312 -3.1676 -3.1676 -3.1115 -3.1115 -2.8581 -2.8581 -1.9088 -1.9088 -1.5595 -1.5595 -1.4142 -1.4142 -1.0574 -1.0574 -0.9183 -0.9183 -0.8985 -0.8985 -0.2661 -0.2661 -0.2041 -0.2041 -0.1282 -0.1282 9.5717 9.5717 11.8707 11.8707 12.3795 12.3795 13.7702 13.7702 14.7650 14.7650 k = 0.5000-0.3130-0.2180 ( 10600 PWs) bands (ev): -41.3769 -41.3769 -23.8643 -23.8643 -21.7843 -21.7843 -21.6404 -21.6404 -21.6105 -21.6105 -20.7746 -20.7746 -20.7393 -20.7393 -8.3971 -8.3971 -5.8468 -5.8468 -5.4011 -5.4011 -5.2885 -5.2885 -3.7406 -3.7406 -3.4312 -3.4312 -3.1676 -3.1676 -3.1115 -3.1115 -2.8581 -2.8581 -1.9088 -1.9088 -1.5595 -1.5595 -1.4142 -1.4142 -1.0574 -1.0574 -0.9183 -0.9183 -0.8985 -0.8985 -0.2661 -0.2661 -0.2041 -0.2041 -0.1282 -0.1282 9.5717 9.5717 11.8707 11.8707 12.3795 12.3795 13.7702 13.7702 14.7650 14.7650 k = 0.5000-0.3038-0.2313 ( 10604 PWs) bands (ev): -41.3769 -41.3769 -23.8642 -23.8642 -21.7842 -21.7842 -21.6405 -21.6405 -21.6107 -21.6107 -20.7746 -20.7746 -20.7393 -20.7393 -8.3967 -8.3967 -5.8462 -5.8462 -5.4013 -5.4013 -5.2888 -5.2888 -3.7401 -3.7401 -3.4312 -3.4312 -3.1679 -3.1679 -3.1116 -3.1116 -2.8587 -2.8587 -1.9078 -1.9078 -1.5593 -1.5593 -1.4139 -1.4139 -1.0581 -1.0581 -0.9189 -0.9189 -0.8992 -0.8992 -0.2660 -0.2660 -0.2040 -0.2040 -0.1284 -0.1284 9.5729 9.5729 11.8711 11.8711 12.3802 12.3802 13.7703 13.7703 14.7604 14.7604 k = 0.5000-0.2945-0.2445 ( 10594 PWs) bands (ev): -41.3769 -41.3769 -23.8640 -23.8640 -21.7838 -21.7838 -21.6408 -21.6408 -21.6112 -21.6112 -20.7745 -20.7745 -20.7394 -20.7394 -8.3956 -8.3956 -5.8447 -5.8447 -5.4018 -5.4018 -5.2898 -5.2898 -3.7385 -3.7385 -3.4313 -3.4313 -3.1686 -3.1686 -3.1119 -3.1119 -2.8602 -2.8602 -1.9050 -1.9050 -1.5589 -1.5589 -1.4129 -1.4129 -1.0602 -1.0602 -0.9208 -0.9208 -0.9011 -0.9011 -0.2657 -0.2657 -0.2039 -0.2039 -0.1291 -0.1291 9.5764 9.5764 11.8724 11.8724 12.3822 12.3822 13.7704 13.7704 14.7472 14.7472 k = 0.5000-0.2853-0.2578 ( 10588 PWs) bands (ev): -41.3769 -41.3769 -23.8636 -23.8636 -21.7833 -21.7833 -21.6414 -21.6414 -21.6119 -21.6119 -20.7744 -20.7744 -20.7395 -20.7395 -8.3937 -8.3937 -5.8422 -5.8422 -5.4027 -5.4027 -5.2914 -5.2914 -3.7358 -3.7358 -3.4315 -3.4315 -3.1698 -3.1698 -3.1123 -3.1123 -2.8627 -2.8627 -1.9005 -1.9005 -1.5581 -1.5581 -1.4113 -1.4113 -1.0638 -1.0638 -0.9242 -0.9242 -0.9040 -0.9040 -0.2651 -0.2651 -0.2036 -0.2036 -0.1301 -0.1301 9.5824 9.5824 11.8745 11.8745 12.3856 12.3856 13.7706 13.7706 14.7267 14.7267 k = 0.5000-0.2761-0.2710 ( 10600 PWs) bands (ev): -41.3769 -41.3769 -23.8630 -23.8630 -21.7825 -21.7825 -21.6422 -21.6422 -21.6130 -21.6130 -20.7741 -20.7741 -20.7397 -20.7397 -8.3910 -8.3910 -5.8388 -5.8388 -5.4040 -5.4040 -5.2936 -5.2936 -3.7321 -3.7321 -3.4318 -3.4318 -3.1717 -3.1717 -3.1126 -3.1126 -2.8661 -2.8661 -1.8943 -1.8943 -1.5570 -1.5570 -1.4090 -1.4090 -1.0688 -1.0688 -0.9292 -0.9292 -0.9074 -0.9074 -0.2644 -0.2644 -0.2032 -0.2032 -0.1315 -0.1315 9.5907 9.5907 11.8775 11.8775 12.3903 12.3903 13.7705 13.7705 14.7003 14.7003 k = 0.5000-0.2668-0.2843 ( 10600 PWs) bands (ev): -41.3769 -41.3769 -23.8623 -23.8623 -21.7815 -21.7815 -21.6433 -21.6433 -21.6143 -21.6143 -20.7739 -20.7739 -20.7398 -20.7398 -8.3877 -8.3877 -5.8343 -5.8343 -5.4056 -5.4056 -5.2964 -5.2964 -3.7274 -3.7274 -3.4321 -3.4321 -3.1744 -3.1744 -3.1128 -3.1128 -2.8703 -2.8703 -1.8865 -1.8865 -1.5556 -1.5556 -1.4062 -1.4062 -1.0755 -1.0755 -0.9360 -0.9360 -0.9111 -0.9111 -0.2635 -0.2635 -0.2027 -0.2027 -0.1333 -0.1333 9.6013 9.6013 11.8815 11.8815 12.3961 12.3961 13.7700 13.7700 14.6697 14.6697 k = 0.5000-0.2576-0.2975 ( 10604 PWs) bands (ev): -41.3769 -41.3769 -23.8615 -23.8615 -21.7803 -21.7803 -21.6446 -21.6446 -21.6158 -21.6158 -20.7736 -20.7736 -20.7400 -20.7400 -8.3836 -8.3836 -5.8289 -5.8289 -5.4075 -5.4075 -5.2998 -5.2998 -3.7218 -3.7218 -3.4326 -3.4326 -3.1780 -3.1780 -3.1126 -3.1126 -2.8750 -2.8750 -1.8774 -1.8774 -1.5537 -1.5537 -1.4027 -1.4027 -1.0841 -1.0841 -0.9444 -0.9444 -0.9149 -0.9149 -0.2625 -0.2625 -0.2022 -0.2022 -0.1355 -0.1355 9.6141 9.6141 11.8866 11.8866 12.4030 12.4030 13.7686 13.7686 14.6361 14.6361 k = 0.5000-0.2484-0.3108 ( 10598 PWs) bands (ev): -41.3769 -41.3769 -23.8605 -23.8605 -21.7788 -21.7788 -21.6462 -21.6462 -21.6175 -21.6175 -20.7733 -20.7733 -20.7402 -20.7402 -8.3789 -8.3789 -5.8226 -5.8226 -5.4098 -5.4098 -5.3038 -5.3038 -3.7153 -3.7153 -3.4330 -3.4330 -3.1826 -3.1826 -3.1119 -3.1119 -2.8801 -2.8801 -1.8672 -1.8672 -1.5515 -1.5515 -1.3988 -1.3988 -1.0945 -1.0945 -0.9539 -0.9539 -0.9190 -0.9190 -0.2614 -0.2614 -0.2016 -0.2016 -0.1380 -0.1380 9.6290 9.6290 11.8928 11.8928 12.4109 12.4109 13.7661 13.7661 14.6006 14.6006 k = 0.5000-0.2391-0.3240 ( 10588 PWs) bands (ev): -41.3769 -41.3769 -23.8594 -23.8594 -21.7772 -21.7772 -21.6480 -21.6480 -21.6194 -21.6194 -20.7730 -20.7730 -20.7403 -20.7403 -8.3736 -8.3736 -5.8155 -5.8155 -5.4124 -5.4124 -5.3082 -5.3082 -3.7080 -3.7080 -3.4336 -3.4336 -3.1884 -3.1884 -3.1106 -3.1106 -2.8854 -2.8854 -1.8560 -1.8560 -1.5487 -1.5487 -1.3943 -1.3943 -1.1070 -1.1070 -0.9643 -0.9643 -0.9234 -0.9234 -0.2603 -0.2603 -0.2009 -0.2009 -0.1408 -0.1408 9.6459 9.6459 11.9003 11.9003 12.4196 12.4196 13.7618 13.7618 14.5640 14.5640 k = 0.5000-0.2299-0.3373 ( 10588 PWs) bands (ev): -41.3769 -41.3769 -23.8582 -23.8582 -21.7753 -21.7753 -21.6502 -21.6502 -21.6214 -21.6214 -20.7728 -20.7728 -20.7404 -20.7404 -8.3677 -8.3677 -5.8074 -5.8074 -5.4153 -5.4153 -5.3132 -5.3132 -3.7001 -3.7001 -3.4343 -3.4343 -3.1953 -3.1953 -3.1086 -3.1086 -2.8907 -2.8907 -1.8441 -1.8441 -1.5454 -1.5454 -1.3895 -1.3895 -1.1217 -1.1217 -0.9752 -0.9752 -0.9282 -0.9282 -0.2591 -0.2591 -0.2003 -0.2003 -0.1440 -0.1440 9.6648 9.6648 11.9092 11.9092 12.4290 12.4290 13.7555 13.7555 14.5269 14.5269 k = 0.5000-0.2207-0.3506 ( 10586 PWs) bands (ev): -41.3769 -41.3769 -23.8569 -23.8569 -21.7733 -21.7733 -21.6526 -21.6526 -21.6236 -21.6236 -20.7726 -20.7726 -20.7405 -20.7405 -8.3614 -8.3614 -5.7986 -5.7986 -5.4184 -5.4184 -5.3186 -5.3186 -3.6915 -3.6915 -3.4350 -3.4350 -3.2034 -3.2034 -3.1059 -3.1059 -2.8959 -2.8959 -1.8318 -1.8318 -1.5416 -1.5416 -1.3844 -1.3844 -1.1385 -1.1385 -0.9862 -0.9862 -0.9333 -0.9333 -0.2580 -0.2580 -0.1996 -0.1996 -0.1474 -0.1474 9.6854 9.6854 11.9195 11.9195 12.4390 12.4390 13.7464 13.7464 14.4896 14.4896 k = 0.5000-0.2115-0.3638 ( 10576 PWs) bands (ev): -41.3769 -41.3769 -23.8555 -23.8555 -21.7710 -21.7710 -21.6553 -21.6553 -21.6258 -21.6258 -20.7724 -20.7724 -20.7405 -20.7405 -8.3545 -8.3545 -5.7890 -5.7890 -5.4219 -5.4219 -5.3244 -5.3244 -3.6824 -3.6824 -3.4359 -3.4359 -3.2125 -3.2125 -3.1024 -3.1024 -2.9008 -2.9008 -1.8192 -1.8192 -1.5371 -1.5371 -1.3791 -1.3791 -1.1572 -1.1572 -0.9972 -0.9972 -0.9389 -0.9389 -0.2570 -0.2570 -0.1991 -0.1991 -0.1510 -0.1510 9.7077 9.7077 11.9314 11.9314 12.4494 12.4494 13.7344 13.7344 14.4525 14.4525 k = 0.5000-0.2022-0.3771 ( 10576 PWs) bands (ev): -41.3769 -41.3769 -23.8540 -23.8540 -21.7686 -21.7686 -21.6582 -21.6582 -21.6280 -21.6280 -20.7724 -20.7724 -20.7404 -20.7404 -8.3473 -8.3473 -5.7787 -5.7787 -5.4256 -5.4256 -5.3305 -5.3305 -3.6729 -3.6729 -3.4368 -3.4368 -3.2225 -3.2225 -3.0981 -3.0981 -2.9052 -2.9052 -1.8067 -1.8067 -1.5319 -1.5319 -1.3739 -1.3739 -1.1776 -1.1776 -1.0081 -1.0081 -0.9450 -0.9450 -0.2561 -0.2561 -0.1986 -0.1986 -0.1547 -0.1547 9.7315 9.7315 11.9449 11.9449 12.4600 12.4600 13.7188 13.7188 14.4156 14.4156 k = 0.5000-0.1930-0.3903 ( 10576 PWs) bands (ev): -41.3769 -41.3769 -23.8524 -23.8524 -21.7660 -21.7660 -21.6614 -21.6614 -21.6304 -21.6304 -20.7724 -20.7724 -20.7403 -20.7403 -8.3397 -8.3397 -5.7677 -5.7677 -5.4296 -5.4296 -5.3370 -5.3370 -3.6631 -3.6631 -3.4379 -3.4379 -3.2334 -3.2334 -3.0931 -3.0931 -2.9089 -2.9089 -1.7946 -1.7946 -1.5259 -1.5259 -1.3692 -1.3692 -1.1990 -1.1990 -1.0187 -1.0187 -0.9516 -0.9516 -0.2553 -0.2553 -0.1982 -0.1982 -0.1584 -0.1584 9.7566 9.7566 11.9601 11.9601 12.4708 12.4708 13.6997 13.6997 14.3791 14.3791 k = 0.5000-0.1838-0.4036 ( 10584 PWs) bands (ev): -41.3769 -41.3769 -23.8509 -23.8509 -21.7633 -21.7633 -21.6648 -21.6648 -21.6327 -21.6327 -20.7725 -20.7725 -20.7400 -20.7400 -8.3318 -8.3318 -5.7562 -5.7562 -5.4337 -5.4337 -5.3438 -5.3438 -3.6530 -3.6530 -3.4390 -3.4390 -3.2450 -3.2450 -3.0875 -3.0875 -2.9119 -2.9119 -1.7829 -1.7829 -1.5193 -1.5193 -1.3655 -1.3655 -1.2205 -1.2205 -1.0293 -1.0293 -0.9586 -0.9586 -0.2549 -0.2549 -0.1980 -0.1980 -0.1621 -0.1621 9.7828 9.7828 11.9771 11.9771 12.4815 12.4815 13.6769 13.6769 14.3431 14.3431 k = 0.5000-0.1745-0.4168 ( 10588 PWs) bands (ev): -41.3769 -41.3769 -23.8493 -23.8493 -21.7604 -21.7604 -21.6683 -21.6683 -21.6352 -21.6352 -20.7727 -20.7727 -20.7396 -20.7396 -8.3238 -8.3238 -5.7441 -5.7441 -5.4380 -5.4380 -5.3508 -5.3508 -3.6429 -3.6429 -3.4404 -3.4404 -3.2571 -3.2571 -3.0813 -3.0813 -2.9139 -2.9139 -1.7719 -1.7719 -1.5121 -1.5121 -1.3639 -1.3639 -1.2407 -1.2407 -1.0397 -1.0397 -0.9662 -0.9662 -0.2547 -0.2547 -0.1980 -0.1980 -0.1655 -0.1655 9.8100 9.8100 11.9959 11.9959 12.4921 12.4921 13.6504 13.6504 14.3075 14.3075 k = 0.5000-0.1653-0.4301 ( 10594 PWs) bands (ev): -41.3769 -41.3769 -23.8476 -23.8476 -21.7573 -21.7573 -21.6719 -21.6719 -21.6376 -21.6376 -20.7730 -20.7730 -20.7392 -20.7392 -8.3157 -8.3157 -5.7316 -5.7316 -5.4424 -5.4424 -5.3581 -5.3581 -3.6328 -3.6328 -3.4419 -3.4419 -3.2697 -3.2697 -3.0746 -3.0746 -2.9149 -2.9149 -1.7617 -1.7617 -1.5047 -1.5047 -1.3659 -1.3659 -1.2574 -1.2574 -1.0500 -1.0500 -0.9742 -0.9742 -0.2548 -0.2548 -0.1983 -0.1983 -0.1687 -0.1687 9.8379 9.8379 12.0166 12.0166 12.5023 12.5023 13.6205 13.6205 14.2724 14.2724 k = 0.5000-0.1561-0.4433 ( 10588 PWs) bands (ev): -41.3769 -41.3769 -23.8460 -23.8460 -21.7542 -21.7542 -21.6756 -21.6756 -21.6402 -21.6402 -20.7734 -20.7734 -20.7386 -20.7386 -8.3075 -8.3075 -5.7186 -5.7186 -5.4469 -5.4469 -5.3655 -5.3655 -3.6227 -3.6227 -3.4436 -3.4436 -3.2824 -3.2824 -3.0677 -3.0677 -2.9147 -2.9147 -1.7525 -1.7525 -1.4975 -1.4975 -1.3730 -1.3730 -1.2685 -1.2685 -1.0603 -1.0603 -0.9828 -0.9828 -0.2554 -0.2554 -0.1989 -0.1989 -0.1714 -0.1714 9.8663 9.8663 12.0392 12.0392 12.5122 12.5122 13.5876 13.5876 14.2378 14.2378 k = 0.5000-0.1468-0.4566 ( 10592 PWs) bands (ev): -41.3769 -41.3769 -23.8444 -23.8444 -21.7509 -21.7509 -21.6793 -21.6793 -21.6428 -21.6428 -20.7739 -20.7739 -20.7380 -20.7380 -8.2993 -8.2993 -5.7054 -5.7054 -5.4514 -5.4514 -5.3732 -5.3732 -3.6127 -3.6127 -3.4456 -3.4456 -3.2951 -3.2951 -3.0607 -3.0607 -2.9131 -2.9131 -1.7443 -1.7443 -1.4921 -1.4921 -1.3843 -1.3843 -1.2731 -1.2731 -1.0706 -1.0706 -0.9918 -0.9918 -0.2564 -0.2564 -0.1998 -0.1998 -0.1736 -0.1736 9.8950 9.8950 12.0637 12.0637 12.5214 12.5214 13.5520 13.5520 14.2039 14.2039 k = 0.5000-0.1376-0.4698 ( 10600 PWs) bands (ev): -41.3769 -41.3769 -23.8429 -23.8429 -21.7475 -21.7475 -21.6829 -21.6829 -21.6454 -21.6454 -20.7744 -20.7744 -20.7373 -20.7373 -8.2912 -8.2912 -5.6920 -5.6920 -5.4559 -5.4559 -5.3809 -5.3809 -3.6028 -3.6028 -3.4479 -3.4479 -3.3077 -3.3077 -3.0539 -3.0539 -2.9101 -2.9101 -1.7371 -1.7371 -1.4909 -1.4909 -1.3959 -1.3959 -1.2724 -1.2724 -1.0810 -1.0810 -1.0013 -1.0013 -0.2579 -0.2579 -0.2010 -0.2010 -0.1754 -0.1754 9.9238 9.9238 12.0901 12.0901 12.5300 12.5300 13.5142 13.5142 14.1707 14.1707 k = 0.5000-0.1284-0.4831 ( 10594 PWs) bands (ev): -41.3769 -41.3769 -23.8414 -23.8414 -21.7440 -21.7440 -21.6865 -21.6865 -21.6482 -21.6482 -20.7749 -20.7749 -20.7366 -20.7366 -8.2834 -8.2834 -5.6784 -5.6784 -5.4603 -5.4603 -5.3888 -5.3888 -3.5932 -3.5932 -3.4506 -3.4506 -3.3199 -3.3199 -3.0475 -3.0475 -2.9054 -2.9054 -1.7308 -1.7308 -1.4976 -1.4976 -1.4022 -1.4022 -1.2684 -1.2684 -1.0914 -1.0914 -1.0113 -1.0113 -0.2599 -0.2599 -0.2023 -0.2023 -0.1767 -0.1767 9.9523 9.9523 12.1182 12.1182 12.5378 12.5378 13.4748 13.4748 14.1383 14.1383 k = 0.5000-0.1191-0.4963 ( 10590 PWs) bands (ev): -41.3769 -41.3769 -23.8400 -23.8400 -21.7404 -21.7404 -21.6900 -21.6900 -21.6510 -21.6510 -20.7755 -20.7755 -20.7359 -20.7359 -8.2757 -8.2757 -5.6648 -5.6648 -5.4646 -5.4646 -5.3968 -5.3968 -3.5837 -3.5837 -3.4538 -3.4538 -3.3314 -3.3314 -3.0417 -3.0417 -2.8992 -2.8992 -1.7255 -1.7255 -1.5132 -1.5132 -1.4006 -1.4006 -1.2624 -1.2624 -1.1019 -1.1019 -1.0217 -1.0217 -0.2624 -0.2624 -0.2036 -0.2036 -0.1776 -0.1776 9.9803 9.9803 12.1480 12.1480 12.5448 12.5448 13.4341 13.4341 14.1069 14.1069 k = 0.5000-0.1099-0.5096 ( 10598 PWs) bands (ev): -41.3769 -41.3769 -23.8387 -23.8387 -21.7367 -21.7367 -21.6932 -21.6932 -21.6539 -21.6539 -20.7761 -20.7761 -20.7352 -20.7352 -8.2684 -8.2684 -5.6512 -5.6512 -5.4686 -5.4686 -5.4049 -5.4049 -3.5744 -3.5744 -3.4576 -3.4576 -3.3421 -3.3421 -3.0367 -3.0367 -2.8914 -2.8914 -1.7210 -1.7210 -1.5347 -1.5347 -1.3930 -1.3930 -1.2553 -1.2553 -1.1124 -1.1124 -1.0326 -1.0326 -0.2653 -0.2653 -0.2048 -0.2048 -0.1784 -0.1784 10.0075 10.0075 12.1794 12.1794 12.5509 12.5509 13.3928 13.3928 14.0767 14.0767 k = 0.5000-0.1007-0.5229 ( 10590 PWs) bands (ev): -41.3769 -41.3769 -23.8374 -23.8374 -21.7330 -21.7330 -21.6963 -21.6963 -21.6569 -21.6569 -20.7766 -20.7766 -20.7344 -20.7344 -8.2615 -8.2615 -5.6378 -5.6378 -5.4723 -5.4723 -5.4130 -5.4130 -3.5654 -3.5654 -3.4620 -3.4620 -3.3518 -3.3518 -3.0326 -3.0326 -2.8823 -2.8823 -1.7173 -1.7173 -1.5590 -1.5590 -1.3821 -1.3821 -1.2476 -1.2476 -1.1230 -1.1230 -1.0439 -1.0439 -0.2685 -0.2685 -0.2059 -0.2059 -0.1790 -0.1790 10.0337 10.0337 12.2121 12.2121 12.5559 12.5559 13.3513 13.3513 14.0477 14.0477 k = 0.5000-0.0914-0.5361 ( 10594 PWs) bands (ev): -41.3769 -41.3769 -23.8363 -23.8363 -21.7293 -21.7293 -21.6992 -21.6992 -21.6599 -21.6599 -20.7771 -20.7771 -20.7337 -20.7337 -8.2551 -8.2551 -5.6248 -5.6248 -5.4757 -5.4757 -5.4211 -5.4211 -3.5564 -3.5564 -3.4672 -3.4672 -3.3602 -3.3602 -3.0294 -3.0294 -2.8722 -2.8722 -1.7143 -1.7143 -1.5838 -1.5838 -1.3696 -1.3696 -1.2395 -1.2395 -1.1336 -1.1336 -1.0556 -1.0556 -0.2720 -0.2720 -0.2068 -0.2068 -0.1796 -0.1796 10.0586 10.0586 12.2460 12.2460 12.5598 12.5598 13.3103 13.3103 14.0201 14.0201 k = 0.5000-0.0822-0.5494 ( 10598 PWs) bands (ev): -41.3769 -41.3769 -23.8354 -23.8354 -21.7256 -21.7256 -21.7017 -21.7017 -21.6630 -21.6630 -20.7776 -20.7776 -20.7331 -20.7331 -8.2492 -8.2492 -5.6121 -5.6121 -5.4786 -5.4786 -5.4293 -5.4293 -3.5478 -3.5478 -3.4729 -3.4729 -3.3674 -3.3674 -3.0269 -3.0269 -2.8616 -2.8616 -1.7119 -1.7119 -1.6080 -1.6080 -1.3562 -1.3562 -1.2312 -1.2312 -1.1440 -1.1440 -1.0676 -1.0676 -0.2756 -0.2756 -0.2076 -0.2076 -0.1801 -0.1801 10.0819 10.0819 12.2807 12.2807 12.5626 12.5626 13.2704 13.2704 13.9941 13.9941 k = 0.5000-0.0730-0.5626 ( 10592 PWs) bands (ev): -41.3769 -41.3769 -23.8346 -23.8346 -21.7219 -21.7219 -21.7040 -21.7040 -21.6661 -21.6661 -20.7780 -20.7780 -20.7325 -20.7325 -8.2438 -8.2438 -5.6001 -5.6001 -5.4809 -5.4809 -5.4374 -5.4374 -3.5394 -3.5394 -3.4791 -3.4791 -3.3731 -3.3731 -3.0253 -3.0253 -2.8509 -2.8509 -1.7103 -1.7103 -1.6305 -1.6305 -1.3427 -1.3427 -1.2229 -1.2229 -1.1543 -1.1543 -1.0800 -1.0800 -0.2792 -0.2792 -0.2083 -0.2083 -0.1808 -0.1808 10.1032 10.1032 12.3158 12.3158 12.5641 12.5641 13.2324 13.2324 13.9698 13.9698 k = 0.5000-0.0637-0.5759 ( 10590 PWs) bands (ev): -41.3769 -41.3769 -23.8339 -23.8339 -21.7183 -21.7183 -21.7058 -21.7058 -21.6693 -21.6693 -20.7783 -20.7783 -20.7319 -20.7319 -8.2391 -8.2391 -5.5888 -5.5888 -5.4825 -5.4825 -5.4454 -5.4454 -3.5315 -3.5315 -3.4853 -3.4853 -3.3775 -3.3775 -3.0242 -3.0242 -2.8407 -2.8407 -1.7095 -1.7095 -1.6504 -1.6504 -1.3295 -1.3295 -1.2147 -1.2147 -1.1642 -1.1642 -1.0926 -1.0926 -0.2827 -0.2827 -0.2088 -0.2088 -0.1815 -0.1815 10.1225 10.1225 12.3506 12.3506 12.5641 12.5641 13.1973 13.1973 13.9473 13.9473 k = 0.5000-0.0545-0.5891 ( 10576 PWs) bands (ev): -41.3769 -41.3769 -23.8334 -23.8334 -21.7150 -21.7150 -21.7073 -21.7073 -21.6724 -21.6724 -20.7786 -20.7786 -20.7314 -20.7314 -8.2351 -8.2351 -5.5785 -5.5785 -5.4835 -5.4835 -5.4531 -5.4531 -3.5249 -3.5249 -3.4906 -3.4906 -3.3806 -3.3806 -3.0238 -3.0238 -2.8314 -2.8314 -1.7098 -1.7098 -1.6667 -1.6667 -1.3172 -1.3172 -1.2069 -1.2069 -1.1733 -1.1733 -1.1053 -1.1053 -0.2861 -0.2861 -0.2093 -0.2093 -0.1823 -0.1823 10.1393 10.1393 12.3845 12.3845 12.5625 12.5625 13.1661 13.1661 13.9268 13.9268 k = 0.5000-0.0453-0.6024 ( 10580 PWs) bands (ev): -41.3769 -41.3769 -23.8331 -23.8331 -21.7122 -21.7122 -21.7079 -21.7079 -21.6755 -21.6755 -20.7787 -20.7787 -20.7310 -20.7310 -8.2317 -8.2317 -5.5695 -5.5695 -5.4837 -5.4837 -5.4604 -5.4604 -3.5214 -3.5214 -3.4931 -3.4931 -3.3825 -3.3825 -3.0240 -3.0240 -2.8235 -2.8235 -1.7119 -1.7119 -1.6784 -1.6784 -1.3063 -1.3063 -1.2003 -1.2003 -1.1805 -1.1805 -1.1180 -1.1180 -0.2892 -0.2892 -0.2098 -0.2098 -0.1832 -0.1832 10.1535 10.1535 12.4164 12.4164 12.5591 12.5591 13.1403 13.1403 13.9085 13.9085 k = 0.5000-0.0360-0.6156 ( 10580 PWs) bands (ev): -41.3769 -41.3769 -23.8329 -23.8329 -21.7110 -21.7110 -21.7068 -21.7068 -21.6783 -21.6783 -20.7788 -20.7788 -20.7307 -20.7307 -8.2291 -8.2291 -5.5621 -5.5621 -5.4835 -5.4835 -5.4666 -5.4666 -3.5227 -3.5227 -3.4909 -3.4909 -3.3833 -3.3833 -3.0247 -3.0247 -2.8173 -2.8173 -1.7156 -1.7156 -1.6849 -1.6849 -1.2976 -1.2976 -1.1984 -1.1984 -1.1820 -1.1820 -1.1304 -1.1304 -0.2920 -0.2920 -0.2103 -0.2103 -0.1843 -0.1843 10.1648 10.1648 12.4449 12.4449 12.5541 12.5541 13.1213 13.1213 13.8924 13.8924 k = 0.5000-0.0268-0.6289 ( 10588 PWs) bands (ev): -41.3769 -41.3769 -23.8330 -23.8330 -21.7110 -21.7110 -21.7048 -21.7048 -21.6807 -21.6807 -20.7787 -20.7787 -20.7304 -20.7304 -8.2273 -8.2273 -5.5564 -5.5564 -5.4842 -5.4842 -5.4701 -5.4701 -3.5274 -3.5274 -3.4851 -3.4851 -3.3829 -3.3829 -3.0259 -3.0259 -2.8133 -2.8133 -1.7195 -1.7195 -1.6875 -1.6875 -1.2917 -1.2917 -1.2018 -1.2018 -1.1773 -1.1773 -1.1417 -1.1417 -0.2944 -0.2944 -0.2107 -0.2107 -0.1855 -0.1855 10.1731 10.1731 12.4670 12.4670 12.5490 12.5490 13.1106 13.1106 13.8789 13.8789 k = 0.7574 0.1157-0.2432 ( 10588 PWs) bands (ev): -41.3769 -41.3769 -23.8330 -23.8330 -21.7109 -21.7109 -21.7049 -21.7049 -21.6806 -21.6806 -20.7787 -20.7787 -20.7304 -20.7304 -8.2273 -8.2273 -5.5564 -5.5564 -5.4841 -5.4841 -5.4702 -5.4702 -3.5274 -3.5274 -3.4852 -3.4852 -3.3829 -3.3829 -3.0259 -3.0259 -2.8133 -2.8133 -1.7195 -1.7195 -1.6875 -1.6875 -1.2918 -1.2918 -1.2018 -1.2018 -1.1772 -1.1772 -1.1417 -1.1417 -0.2944 -0.2944 -0.2108 -0.2108 -0.1854 -0.1854 10.1731 10.1731 12.4670 12.4670 12.5490 12.5490 13.1106 13.1106 13.8789 13.8789 k = 0.7496 0.1206-0.2300 ( 10590 PWs) bands (ev): -41.3769 -41.3769 -23.8332 -23.8332 -21.7109 -21.7109 -21.7034 -21.7034 -21.6822 -21.6822 -20.7785 -20.7785 -20.7303 -20.7303 -8.2262 -8.2262 -5.5528 -5.5528 -5.4871 -5.4871 -5.4695 -5.4695 -3.5334 -3.5334 -3.4782 -3.4782 -3.3814 -3.3814 -3.0277 -3.0277 -2.8115 -2.8115 -1.7217 -1.7217 -1.6877 -1.6877 -1.2895 -1.2895 -1.2057 -1.2057 -1.1728 -1.1728 -1.1496 -1.1496 -0.2965 -0.2965 -0.2113 -0.2113 -0.1867 -0.1867 10.1782 10.1782 12.4773 12.4773 12.5481 12.5481 13.1095 13.1095 13.8680 13.8680 k = 0.7418 0.1255-0.2167 ( 10590 PWs) bands (ev): -41.3769 -41.3769 -23.8336 -23.8336 -21.7106 -21.7106 -21.7030 -21.7030 -21.6825 -21.6825 -20.7783 -20.7783 -20.7302 -20.7302 -8.2259 -8.2259 -5.5514 -5.5514 -5.4909 -5.4909 -5.4659 -5.4659 -3.5397 -3.5397 -3.4710 -3.4710 -3.3787 -3.3787 -3.0301 -3.0301 -2.8121 -2.8121 -1.7215 -1.7215 -1.6863 -1.6863 -1.2910 -1.2910 -1.2091 -1.2091 -1.1749 -1.1749 -1.1485 -1.1485 -0.2981 -0.2981 -0.2119 -0.2119 -0.1881 -0.1881 10.1800 10.1800 12.4710 12.4710 12.5557 12.5557 13.1185 13.1185 13.8600 13.8600 k = 0.7340 0.1304-0.2035 ( 10594 PWs) bands (ev): -41.3769 -41.3769 -23.8342 -23.8342 -21.7102 -21.7102 -21.7039 -21.7039 -21.6814 -21.6814 -20.7779 -20.7779 -20.7302 -20.7302 -8.2264 -8.2264 -5.5523 -5.5523 -5.4939 -5.4939 -5.4610 -5.4610 -3.5458 -3.5458 -3.4641 -3.4641 -3.3747 -3.3747 -3.0331 -3.0331 -2.8150 -2.8150 -1.7191 -1.7191 -1.6830 -1.6830 -1.2959 -1.2959 -1.2131 -1.2131 -1.1808 -1.1808 -1.1405 -1.1405 -0.2994 -0.2994 -0.2125 -0.2125 -0.1896 -0.1896 10.1786 10.1786 12.4518 12.4518 12.5683 12.5683 13.1374 13.1374 13.8549 13.8549 k = 0.7262 0.1353-0.1903 ( 10598 PWs) bands (ev): -41.3769 -41.3769 -23.8349 -23.8349 -21.7100 -21.7100 -21.7052 -21.7052 -21.6794 -21.6794 -20.7774 -20.7774 -20.7303 -20.7303 -8.2277 -8.2277 -5.5553 -5.5553 -5.4956 -5.4956 -5.4553 -5.4553 -3.5515 -3.5515 -3.4579 -3.4579 -3.3694 -3.3694 -3.0368 -3.0368 -2.8198 -2.8198 -1.7155 -1.7155 -1.6770 -1.6770 -1.3032 -1.3032 -1.2196 -1.2196 -1.1848 -1.1848 -1.1300 -1.1300 -0.3002 -0.3002 -0.2133 -0.2133 -0.1912 -0.1912 10.1739 10.1739 12.4246 12.4246 12.5816 12.5816 13.1656 13.1656 13.8531 13.8531 k = 0.7184 0.1402-0.1771 ( 10592 PWs) bands (ev): -41.3769 -41.3769 -23.8359 -23.8359 -21.7114 -21.7114 -21.7053 -21.7053 -21.6768 -21.6768 -20.7768 -20.7768 -20.7306 -20.7306 -8.2296 -8.2296 -5.5601 -5.5601 -5.4959 -5.4959 -5.4493 -5.4493 -3.5568 -3.5568 -3.4526 -3.4526 -3.3628 -3.3628 -3.0412 -3.0412 -2.8263 -2.8263 -1.7121 -1.7121 -1.6672 -1.6672 -1.3122 -1.3122 -1.2288 -1.2288 -1.1862 -1.1862 -1.1185 -1.1185 -0.3007 -0.3007 -0.2142 -0.2142 -0.1928 -0.1928 10.1659 10.1659 12.3922 12.3922 12.5941 12.5941 13.2019 13.2019 13.8547 13.8547 k = 0.7106 0.1450-0.1639 ( 10594 PWs) bands (ev): -41.3769 -41.3769 -23.8369 -23.8369 -21.7141 -21.7141 -21.7040 -21.7040 -21.6738 -21.6738 -20.7761 -20.7761 -20.7309 -20.7309 -8.2323 -8.2323 -5.5662 -5.5662 -5.4950 -5.4950 -5.4433 -5.4433 -3.5614 -3.5614 -3.4483 -3.4483 -3.3551 -3.3551 -3.0463 -3.0463 -2.8341 -2.8341 -1.7098 -1.7098 -1.6531 -1.6531 -1.3223 -1.3223 -1.2394 -1.2394 -1.1861 -1.1861 -1.1065 -1.1065 -0.3008 -0.3008 -0.2153 -0.2153 -0.1943 -0.1943 10.1548 10.1548 12.3561 12.3561 12.6054 12.6054 13.2448 13.2448 13.8600 13.8600 k = 0.7028 0.1499-0.1507 ( 10590 PWs) bands (ev): -41.3769 -41.3769 -23.8382 -23.8382 -21.7175 -21.7175 -21.7021 -21.7021 -21.6707 -21.6707 -20.7753 -20.7753 -20.7313 -20.7313 -8.2356 -8.2356 -5.5733 -5.5733 -5.4931 -5.4931 -5.4374 -5.4374 -3.5654 -3.5654 -3.4448 -3.4448 -3.3467 -3.3467 -3.0522 -3.0522 -2.8426 -2.8426 -1.7089 -1.7089 -1.6351 -1.6351 -1.3330 -1.3330 -1.2506 -1.2506 -1.1854 -1.1854 -1.0941 -1.0941 -0.3006 -0.3006 -0.2165 -0.2165 -0.1958 -0.1958 10.1407 10.1407 12.3174 12.3174 12.6156 12.6156 13.2932 13.2932 13.8691 13.8691 k = 0.6950 0.1548-0.1375 ( 10586 PWs) bands (ev): -41.3769 -41.3769 -23.8396 -23.8396 -21.7211 -21.7211 -21.6996 -21.6996 -21.6676 -21.6676 -20.7744 -20.7744 -20.7318 -20.7318 -8.2396 -8.2396 -5.5811 -5.5811 -5.4904 -5.4904 -5.4318 -5.4318 -3.5688 -3.5688 -3.4422 -3.4422 -3.3379 -3.3379 -3.0585 -3.0585 -2.8513 -2.8513 -1.7090 -1.7090 -1.6141 -1.6141 -1.3440 -1.3440 -1.2617 -1.2617 -1.1844 -1.1844 -1.0815 -1.0815 -0.3001 -0.3001 -0.2180 -0.2180 -0.1972 -0.1972 10.1238 10.1238 12.2768 12.2768 12.6248 12.6248 13.3459 13.3459 13.8823 13.8823 k = 0.6872 0.1597-0.1243 ( 10570 PWs) bands (ev): -41.3769 -41.3769 -23.8411 -23.8411 -21.7248 -21.7248 -21.6968 -21.6968 -21.6645 -21.6645 -20.7734 -20.7734 -20.7324 -20.7324 -8.2442 -8.2442 -5.5892 -5.5892 -5.4870 -5.4870 -5.4266 -5.4266 -3.5715 -3.5715 -3.4403 -3.4403 -3.3293 -3.3293 -3.0652 -3.0652 -2.8599 -2.8599 -1.7102 -1.7102 -1.5907 -1.5907 -1.3550 -1.3550 -1.2725 -1.2725 -1.1835 -1.1835 -1.0690 -1.0690 -0.2995 -0.2995 -0.2196 -0.2196 -0.1985 -0.1985 10.1043 10.1043 12.2350 12.2350 12.6330 12.6330 13.4021 13.4021 13.8996 13.8996 k = 0.6794 0.1646-0.1110 ( 10578 PWs) bands (ev): -41.3769 -41.3769 -23.8428 -23.8428 -21.7286 -21.7286 -21.6937 -21.6937 -21.6614 -21.6614 -20.7723 -20.7723 -20.7330 -20.7330 -8.2493 -8.2493 -5.5976 -5.5976 -5.4831 -5.4831 -5.4217 -5.4217 -3.5736 -3.5736 -3.4391 -3.4391 -3.3216 -3.3216 -3.0716 -3.0716 -2.8679 -2.8679 -1.7122 -1.7122 -1.5659 -1.5659 -1.3657 -1.3657 -1.2827 -1.2827 -1.1824 -1.1824 -1.0565 -1.0565 -0.2988 -0.2988 -0.2213 -0.2213 -0.1996 -0.1996 10.0824 10.0824 12.1925 12.1925 12.6404 12.6404 13.4610 13.4610 13.9213 13.9213 k = 0.6716 0.1695-0.0978 ( 10576 PWs) bands (ev): -41.3769 -41.3769 -23.8445 -23.8445 -21.7323 -21.7323 -21.6903 -21.6903 -21.6584 -21.6584 -20.7712 -20.7712 -20.7338 -20.7338 -8.2549 -8.2549 -5.6061 -5.6061 -5.4788 -5.4788 -5.4172 -5.4172 -3.5752 -3.5752 -3.4384 -3.4384 -3.3156 -3.3156 -3.0771 -3.0771 -2.8750 -2.8750 -1.7151 -1.7151 -1.5407 -1.5407 -1.3759 -1.3759 -1.2920 -1.2920 -1.1811 -1.1811 -1.0443 -1.0443 -0.2981 -0.2981 -0.2232 -0.2232 -0.2006 -0.2006 10.0585 10.0585 12.1498 12.1498 12.6470 12.6470 13.5219 13.5219 13.9473 13.9473 k = 0.6638 0.1743-0.0846 ( 10574 PWs) bands (ev): -41.3769 -41.3769 -23.8464 -23.8464 -21.7361 -21.7361 -21.6867 -21.6867 -21.6554 -21.6554 -20.7700 -20.7700 -20.7346 -20.7346 -8.2609 -8.2609 -5.6146 -5.6146 -5.4740 -5.4740 -5.4131 -5.4131 -3.5761 -3.5761 -3.4382 -3.4382 -3.3119 -3.3119 -3.0810 -3.0810 -2.8813 -2.8813 -1.7190 -1.7190 -1.5159 -1.5159 -1.3854 -1.3854 -1.3001 -1.3001 -1.1793 -1.1793 -1.0322 -1.0322 -0.2976 -0.2976 -0.2250 -0.2250 -0.2014 -0.2014 10.0329 10.0329 12.1071 12.1071 12.6526 12.6526 13.5845 13.5845 13.9778 13.9778 k = 0.6560 0.1792-0.0714 ( 10572 PWs) bands (ev): -41.3769 -41.3769 -23.8483 -23.8483 -21.7398 -21.7398 -21.6830 -21.6830 -21.6526 -21.6526 -20.7688 -20.7688 -20.7354 -20.7354 -8.2672 -8.2672 -5.6231 -5.6231 -5.4690 -5.4690 -5.4094 -5.4094 -3.5765 -3.5765 -3.4384 -3.4384 -3.3113 -3.3113 -3.0823 -3.0823 -2.8865 -2.8865 -1.7238 -1.7238 -1.4929 -1.4929 -1.3938 -1.3938 -1.3066 -1.3066 -1.1766 -1.1766 -1.0205 -1.0205 -0.2972 -0.2972 -0.2267 -0.2267 -0.2021 -0.2021 10.0058 10.0058 12.0650 12.0650 12.6574 12.6574 13.6482 13.6482 14.0127 14.0127 k = 0.6482 0.1841-0.0582 ( 10572 PWs) bands (ev): -41.3769 -41.3769 -23.8502 -23.8502 -21.7434 -21.7434 -21.6790 -21.6790 -21.6499 -21.6499 -20.7676 -20.7676 -20.7363 -20.7363 -8.2739 -8.2739 -5.6315 -5.6315 -5.4637 -5.4637 -5.4061 -5.4061 -3.5764 -3.5764 -3.4392 -3.4392 -3.3142 -3.3142 -3.0807 -3.0807 -2.8907 -2.8907 -1.7296 -1.7296 -1.4733 -1.4733 -1.4009 -1.4009 -1.3109 -1.3109 -1.1726 -1.1726 -1.0091 -1.0091 -0.2971 -0.2971 -0.2283 -0.2283 -0.2027 -0.2027 9.9775 9.9775 12.0235 12.0235 12.6613 12.6613 13.7129 13.7129 14.0518 14.0518 k = 0.6404 0.1890-0.0450 ( 10574 PWs) bands (ev): -41.3769 -41.3769 -23.8522 -23.8522 -21.7470 -21.7470 -21.6749 -21.6749 -21.6472 -21.6472 -20.7663 -20.7663 -20.7373 -20.7373 -8.2807 -8.2807 -5.6396 -5.6396 -5.4582 -5.4582 -5.4032 -5.4032 -3.5758 -3.5758 -3.4403 -3.4403 -3.3203 -3.3203 -3.0758 -3.0758 -2.8940 -2.8940 -1.7363 -1.7363 -1.4588 -1.4588 -1.4061 -1.4061 -1.3123 -1.3123 -1.1667 -1.1667 -0.9981 -0.9981 -0.2975 -0.2975 -0.2296 -0.2296 -0.2032 -0.2032 9.9485 9.9485 11.9829 11.9829 12.6644 12.6644 13.7783 13.7783 14.0950 14.0950 k = 0.6326 0.1939-0.0318 ( 10578 PWs) bands (ev): -41.3769 -41.3769 -23.8542 -23.8542 -21.7504 -21.7504 -21.6708 -21.6708 -21.6447 -21.6447 -20.7650 -20.7650 -20.7383 -20.7383 -8.2877 -8.2877 -5.6476 -5.6476 -5.4526 -5.4526 -5.4006 -5.4006 -3.5749 -3.5749 -3.4420 -3.4420 -3.3294 -3.3294 -3.0681 -3.0681 -2.8965 -2.8965 -1.7440 -1.7440 -1.4505 -1.4505 -1.4094 -1.4094 -1.3108 -1.3108 -1.1583 -1.1583 -0.9875 -0.9875 -0.2983 -0.2983 -0.2305 -0.2305 -0.2036 -0.2036 9.9189 9.9189 11.9435 11.9435 12.6666 12.6666 13.8441 13.8441 14.1420 14.1420 k = 0.6248 0.1988-0.0185 ( 10552 PWs) bands (ev): -41.3769 -41.3769 -23.8563 -23.8563 -21.7538 -21.7538 -21.6666 -21.6666 -21.6423 -21.6423 -20.7637 -20.7637 -20.7393 -20.7393 -8.2947 -8.2947 -5.6553 -5.6553 -5.4468 -5.4468 -5.3984 -5.3984 -3.5735 -3.5735 -3.4442 -3.4442 -3.3405 -3.3405 -3.0579 -3.0579 -2.8983 -2.8983 -1.7526 -1.7526 -1.4477 -1.4477 -1.4117 -1.4117 -1.3068 -1.3068 -1.1469 -1.1469 -0.9773 -0.9773 -0.2997 -0.2997 -0.2311 -0.2311 -0.2039 -0.2039 9.8892 9.8892 11.9054 11.9054 12.6681 12.6681 13.9105 13.9105 14.1924 14.1924 k = 0.6170 0.2036-0.0053 ( 10554 PWs) bands (ev): -41.3769 -41.3769 -23.8583 -23.8583 -21.7570 -21.7570 -21.6624 -21.6624 -21.6400 -21.6400 -20.7624 -20.7624 -20.7404 -20.7404 -8.3018 -8.3018 -5.6627 -5.6627 -5.4411 -5.4411 -5.3964 -5.3964 -3.5719 -3.5719 -3.4471 -3.4471 -3.3529 -3.3529 -3.0459 -3.0459 -2.8994 -2.8994 -1.7620 -1.7620 -1.4483 -1.4483 -1.4143 -1.4143 -1.3016 -1.3016 -1.1322 -1.1322 -0.9676 -0.9676 -0.3016 -0.3016 -0.2314 -0.2314 -0.2042 -0.2042 9.8595 9.8595 11.8689 11.8689 12.6690 12.6690 13.9772 13.9772 14.2457 14.2457 k = 0.6092 0.2085 0.0079 ( 10552 PWs) bands (ev): -41.3769 -41.3769 -23.8602 -23.8602 -21.7601 -21.7601 -21.6583 -21.6583 -21.6379 -21.6379 -20.7611 -20.7611 -20.7414 -20.7414 -8.3088 -8.3088 -5.6698 -5.6698 -5.4354 -5.4354 -5.3948 -5.3948 -3.5701 -3.5701 -3.4509 -3.4509 -3.3656 -3.3656 -3.0326 -3.0326 -2.9001 -2.9001 -1.7720 -1.7720 -1.4502 -1.4502 -1.4177 -1.4177 -1.2967 -1.2967 -1.1145 -1.1145 -0.9584 -0.9584 -0.3039 -0.3039 -0.2314 -0.2314 -0.2044 -0.2044 9.8303 9.8303 11.8339 11.8339 12.6692 12.6692 14.0443 14.0443 14.3015 14.3015 k = 0.6014 0.2134 0.0211 ( 10558 PWs) bands (ev): -41.3769 -41.3769 -23.8622 -23.8622 -21.7630 -21.7630 -21.6542 -21.6542 -21.6359 -21.6359 -20.7599 -20.7599 -20.7425 -20.7425 -8.3156 -8.3156 -5.6765 -5.6765 -5.4298 -5.4298 -5.3934 -5.3934 -3.5681 -3.5681 -3.4557 -3.4557 -3.3779 -3.3779 -3.0185 -3.0185 -2.9003 -2.9003 -1.7825 -1.7825 -1.4525 -1.4525 -1.4220 -1.4220 -1.2927 -1.2927 -1.0944 -1.0944 -0.9497 -0.9497 -0.3068 -0.3068 -0.2311 -0.2311 -0.2045 -0.2045 9.8018 9.8018 11.8008 11.8008 12.6689 12.6689 14.1119 14.1119 14.3593 14.3593 k = 0.5936 0.2183 0.0343 ( 10548 PWs) bands (ev): -41.3769 -41.3769 -23.8640 -23.8640 -21.7657 -21.7657 -21.6503 -21.6503 -21.6340 -21.6340 -20.7587 -20.7587 -20.7435 -20.7435 -8.3222 -8.3222 -5.6829 -5.6829 -5.4244 -5.4244 -5.3922 -5.3922 -3.5660 -3.5660 -3.4618 -3.4618 -3.3891 -3.3891 -3.0040 -3.0040 -2.9002 -2.9002 -1.7933 -1.7933 -1.4548 -1.4548 -1.4268 -1.4268 -1.2898 -1.2898 -1.0727 -1.0727 -0.9415 -0.9415 -0.3099 -0.3099 -0.2306 -0.2306 -0.2046 -0.2046 9.7742 9.7742 11.7696 11.7696 12.6682 12.6682 14.1799 14.1799 14.4185 14.4185 k = 0.5858 0.2232 0.0475 ( 10552 PWs) bands (ev): -41.3769 -41.3769 -23.8658 -23.8658 -21.7683 -21.7683 -21.6465 -21.6465 -21.6323 -21.6323 -20.7575 -20.7575 -20.7445 -20.7445 -8.3286 -8.3286 -5.6888 -5.6888 -5.4192 -5.4192 -5.3912 -5.3912 -3.5639 -3.5639 -3.4691 -3.4691 -3.3987 -3.3987 -2.9896 -2.9896 -2.8998 -2.8998 -1.8042 -1.8042 -1.4568 -1.4568 -1.4319 -1.4319 -1.2879 -1.2879 -1.0502 -1.0502 -0.9339 -0.9339 -0.3133 -0.3133 -0.2300 -0.2300 -0.2045 -0.2045 9.7479 9.7479 11.7405 11.7405 12.6672 12.6672 14.2482 14.2482 14.4788 14.4788 k = 0.5780 0.2281 0.0607 ( 10542 PWs) bands (ev): -41.3769 -41.3769 -23.8675 -23.8675 -21.7707 -21.7707 -21.6429 -21.6429 -21.6307 -21.6307 -20.7564 -20.7564 -20.7454 -20.7454 -8.3346 -8.3346 -5.6943 -5.6943 -5.4142 -5.4142 -5.3904 -5.3904 -3.5619 -3.5619 -3.4776 -3.4776 -3.4064 -3.4064 -2.9754 -2.9754 -2.8991 -2.8991 -1.8150 -1.8150 -1.4586 -1.4586 -1.4369 -1.4369 -1.2867 -1.2867 -1.0278 -1.0278 -0.9267 -0.9267 -0.3169 -0.3169 -0.2294 -0.2294 -0.2044 -0.2044 9.7230 9.7230 11.7135 11.7135 12.6659 12.6659 14.3168 14.3168 14.5395 14.5395 k = 0.5702 0.2329 0.0739 ( 10538 PWs) bands (ev): -41.3769 -41.3769 -23.8690 -23.8690 -21.7729 -21.7729 -21.6395 -21.6395 -21.6292 -21.6292 -20.7554 -20.7554 -20.7463 -20.7463 -8.3402 -8.3402 -5.6993 -5.6993 -5.4095 -5.4095 -5.3897 -5.3897 -3.5600 -3.5600 -3.4867 -3.4867 -3.4125 -3.4125 -2.9618 -2.9618 -2.8984 -2.8984 -1.8256 -1.8256 -1.4601 -1.4601 -1.4417 -1.4417 -1.2861 -1.2861 -1.0061 -1.0061 -0.9201 -0.9201 -0.3206 -0.3206 -0.2288 -0.2288 -0.2043 -0.2043 9.6998 9.6998 11.6888 11.6888 12.6645 12.6645 14.3854 14.3854 14.6002 14.6002 k = 0.5624 0.2378 0.0872 ( 10542 PWs) bands (ev): -41.3769 -41.3769 -23.8704 -23.8704 -21.7749 -21.7749 -21.6365 -21.6365 -21.6279 -21.6279 -20.7545 -20.7545 -20.7472 -20.7472 -8.3454 -8.3454 -5.7039 -5.7039 -5.4052 -5.4052 -5.3891 -5.3891 -3.5583 -3.5583 -3.4959 -3.4959 -3.4172 -3.4172 -2.9490 -2.9490 -2.8975 -2.8975 -1.8357 -1.8357 -1.4614 -1.4614 -1.4462 -1.4462 -1.2859 -1.2859 -0.9856 -0.9856 -0.9140 -0.9140 -0.3242 -0.3242 -0.2282 -0.2282 -0.2041 -0.2041 9.6784 9.6784 11.6665 11.6665 12.6630 12.6630 14.4537 14.4537 14.6604 14.6604 k = 0.5546 0.2427 0.1004 ( 10532 PWs) bands (ev): -41.3769 -41.3769 -23.8717 -23.8717 -21.7766 -21.7766 -21.6337 -21.6337 -21.6266 -21.6266 -20.7537 -20.7537 -20.7480 -20.7480 -8.3501 -8.3501 -5.7079 -5.7079 -5.4013 -5.4013 -5.3887 -5.3887 -3.5570 -3.5570 -3.5047 -3.5047 -3.4209 -3.4209 -2.9372 -2.9372 -2.8965 -2.8965 -1.8451 -1.8451 -1.4625 -1.4625 -1.4504 -1.4504 -1.2859 -1.2859 -0.9668 -0.9668 -0.9084 -0.9084 -0.3277 -0.3277 -0.2278 -0.2278 -0.2038 -0.2038 9.6592 9.6592 11.6466 11.6466 12.6616 12.6616 14.5210 14.5210 14.7197 14.7197 k = 0.5468 0.2476 0.1136 ( 10524 PWs) bands (ev): -41.3769 -41.3769 -23.8729 -23.8729 -21.7782 -21.7782 -21.6313 -21.6313 -21.6255 -21.6255 -20.7529 -20.7529 -20.7486 -20.7486 -8.3543 -8.3543 -5.7114 -5.7114 -5.3978 -5.3978 -5.3884 -5.3884 -3.5562 -3.5562 -3.5125 -3.5125 -3.4237 -3.4237 -2.9267 -2.9267 -2.8955 -2.8955 -1.8537 -1.8537 -1.4635 -1.4635 -1.4540 -1.4540 -1.2860 -1.2860 -0.9501 -0.9501 -0.9031 -0.9031 -0.3309 -0.3309 -0.2274 -0.2274 -0.2035 -0.2035 9.6421 9.6421 11.6292 11.6292 12.6601 12.6601 14.5867 14.5867 14.7774 14.7774 k = 0.5390 0.2525 0.1268 ( 10536 PWs) bands (ev): -41.3769 -41.3769 -23.8739 -23.8739 -21.7795 -21.7795 -21.6293 -21.6293 -21.6245 -21.6245 -20.7523 -20.7523 -20.7492 -20.7492 -8.3578 -8.3578 -5.7145 -5.7145 -5.3948 -5.3948 -5.3881 -5.3881 -3.5560 -3.5560 -3.5190 -3.5190 -3.4259 -3.4259 -2.9177 -2.9177 -2.8944 -2.8944 -1.8612 -1.8612 -1.4643 -1.4643 -1.4571 -1.4571 -1.2862 -1.2862 -0.9360 -0.9360 -0.8981 -0.8981 -0.3339 -0.3339 -0.2270 -0.2270 -0.2032 -0.2032 9.6275 9.6275 11.6143 11.6143 12.6589 12.6589 14.6490 14.6490 14.8328 14.8328 k = 0.5312 0.2574 0.1400 ( 10536 PWs) bands (ev): -41.3769 -41.3769 -23.8747 -23.8747 -21.7806 -21.7806 -21.6277 -21.6277 -21.6236 -21.6236 -20.7517 -20.7517 -20.7497 -20.7497 -8.3608 -8.3608 -5.7169 -5.7169 -5.3923 -5.3923 -5.3879 -5.3879 -3.5564 -3.5564 -3.5239 -3.5239 -3.4276 -3.4276 -2.9104 -2.9104 -2.8932 -2.8932 -1.8677 -1.8677 -1.4652 -1.4652 -1.4596 -1.4596 -1.2863 -1.2863 -0.9249 -0.9249 -0.8933 -0.8933 -0.3365 -0.3365 -0.2268 -0.2268 -0.2030 -0.2030 9.6153 9.6153 11.6021 11.6021 12.6577 12.6577 14.7055 14.7055 14.8846 14.8846 k = 0.5234 0.2622 0.1532 ( 10534 PWs) bands (ev): -41.3769 -41.3769 -23.8753 -23.8753 -21.7814 -21.7814 -21.6266 -21.6266 -21.6228 -21.6228 -20.7513 -20.7513 -20.7501 -20.7501 -8.3632 -8.3632 -5.7189 -5.7189 -5.3903 -5.3903 -5.3877 -5.3877 -3.5573 -3.5573 -3.5272 -3.5272 -3.4289 -3.4289 -2.9051 -2.9051 -2.8917 -2.8917 -1.8728 -1.8728 -1.4659 -1.4659 -1.4614 -1.4614 -1.2865 -1.2865 -0.9167 -0.9167 -0.8888 -0.8888 -0.3386 -0.3386 -0.2266 -0.2266 -0.2027 -0.2027 9.6058 9.6058 11.5926 11.5926 12.6568 12.6568 14.7527 14.7527 14.9301 14.9301 k = 0.5156 0.2671 0.1664 ( 10532 PWs) bands (ev): -41.3769 -41.3769 -23.8758 -23.8758 -21.7820 -21.7820 -21.6258 -21.6258 -21.6222 -21.6222 -20.7510 -20.7510 -20.7504 -20.7504 -8.3649 -8.3649 -5.7203 -5.7203 -5.3888 -5.3888 -5.3876 -5.3876 -3.5584 -3.5584 -3.5293 -3.5293 -3.4297 -3.4297 -2.9017 -2.9017 -2.8901 -2.8901 -1.8765 -1.8765 -1.4666 -1.4666 -1.4625 -1.4625 -1.2866 -1.2866 -0.9114 -0.9114 -0.8849 -0.8849 -0.3401 -0.3401 -0.2265 -0.2265 -0.2026 -0.2026 9.5989 9.5989 11.5858 11.5858 12.6562 12.6562 14.7867 14.7867 14.9664 14.9664 k = 0.5078 0.2720 0.1796 ( 10532 PWs) bands (ev): -41.3769 -41.3769 -23.8761 -23.8761 -21.7824 -21.7824 -21.6253 -21.6253 -21.6218 -21.6218 -20.7509 -20.7509 -20.7506 -20.7506 -8.3659 -8.3659 -5.7211 -5.7211 -5.3880 -5.3880 -5.3876 -5.3876 -3.5592 -3.5592 -3.5303 -3.5303 -3.4303 -3.4303 -2.9000 -2.9000 -2.8888 -2.8888 -1.8788 -1.8788 -1.4672 -1.4672 -1.4631 -1.4631 -1.2867 -1.2867 -0.9085 -0.9085 -0.8823 -0.8823 -0.3411 -0.3411 -0.2265 -0.2265 -0.2025 -0.2025 9.5947 9.5947 11.5817 11.5817 12.6557 12.6557 14.8061 14.8061 14.9928 14.9928 k = 0.5000 0.2769 0.1929 ( 10526 PWs) bands (ev): -41.3769 -41.3769 -23.8761 -23.8761 -21.7825 -21.7825 -21.6252 -21.6252 -21.6217 -21.6217 -20.7508 -20.7508 -20.7506 -20.7506 -8.3662 -8.3662 -5.7214 -5.7214 -5.3877 -5.3877 -5.3876 -5.3876 -3.5595 -3.5595 -3.5306 -3.5306 -3.4304 -3.4304 -2.8995 -2.8995 -2.8883 -2.8883 -1.8796 -1.8796 -1.4674 -1.4674 -1.4633 -1.4633 -1.2867 -1.2867 -0.9076 -0.9076 -0.8813 -0.8813 -0.3414 -0.3414 -0.2264 -0.2264 -0.2024 -0.2024 9.5933 9.5933 11.5803 11.5803 12.6556 12.6556 14.8123 14.8123 15.0034 15.0034 k = 0.5000 0.2769 0.1929 ( 10526 PWs) bands (ev): -41.3769 -41.3769 -23.8761 -23.8761 -21.7825 -21.7825 -21.6252 -21.6252 -21.6217 -21.6217 -20.7508 -20.7508 -20.7506 -20.7506 -8.3662 -8.3662 -5.7214 -5.7214 -5.3877 -5.3877 -5.3876 -5.3876 -3.5595 -3.5595 -3.5306 -3.5306 -3.4304 -3.4304 -2.8995 -2.8995 -2.8883 -2.8883 -1.8796 -1.8796 -1.4674 -1.4674 -1.4633 -1.4633 -1.2867 -1.2867 -0.9076 -0.9076 -0.8813 -0.8813 -0.3414 -0.3414 -0.2264 -0.2264 -0.2024 -0.2024 9.5933 9.5933 11.5803 11.5803 12.6556 12.6556 14.8123 14.8123 15.0034 15.0034 k = 0.4868 0.2696 0.1878 ( 10532 PWs) bands (ev): -41.3769 -41.3769 -23.8763 -23.8763 -21.7823 -21.7823 -21.6252 -21.6252 -21.6217 -21.6217 -20.7508 -20.7508 -20.7506 -20.7506 -8.3668 -8.3668 -5.7212 -5.7212 -5.3885 -5.3885 -5.3883 -5.3883 -3.5590 -3.5590 -3.5301 -3.5301 -3.4312 -3.4312 -2.9000 -2.9000 -2.8888 -2.8888 -1.8777 -1.8777 -1.4664 -1.4664 -1.4624 -1.4624 -1.2869 -1.2869 -0.9076 -0.9076 -0.8813 -0.8813 -0.3413 -0.3413 -0.2262 -0.2262 -0.2022 -0.2022 9.5901 9.5901 11.5821 11.5821 12.6555 12.6555 14.8115 14.8115 14.9809 14.9809 k = 0.4737 0.2623 0.1827 ( 10532 PWs) bands (ev): -41.3769 -41.3769 -23.8767 -23.8767 -21.7816 -21.7816 -21.6253 -21.6253 -21.6218 -21.6218 -20.7506 -20.7506 -20.7504 -20.7504 -8.3686 -8.3686 -5.7206 -5.7206 -5.3907 -5.3907 -5.3906 -5.3906 -3.5574 -3.5574 -3.5284 -3.5284 -3.4336 -3.4336 -2.9015 -2.9015 -2.8902 -2.8902 -1.8720 -1.8720 -1.4637 -1.4637 -1.4597 -1.4597 -1.2873 -1.2873 -0.9076 -0.9076 -0.8814 -0.8814 -0.3411 -0.3411 -0.2255 -0.2255 -0.2015 -0.2015 9.5807 9.5807 11.5874 11.5874 12.6554 12.6554 14.8088 14.8088 14.9284 14.9284 k = 0.4605 0.2550 0.1776 ( 10529 PWs) bands (ev): -41.3769 -41.3769 -23.8774 -23.8774 -21.7804 -21.7804 -21.6254 -21.6254 -21.6219 -21.6219 -20.7504 -20.7504 -20.7502 -20.7502 -8.3716 -8.3716 -5.7197 -5.7197 -5.3945 -5.3945 -5.3944 -5.3944 -3.5548 -3.5548 -3.5258 -3.5258 -3.4375 -3.4375 -2.9039 -2.9039 -2.8925 -2.8925 -1.8627 -1.8627 -1.4592 -1.4592 -1.4552 -1.4552 -1.2879 -1.2879 -0.9076 -0.9076 -0.8814 -0.8814 -0.3407 -0.3407 -0.2244 -0.2244 -0.2004 -0.2004 9.5651 9.5651 11.5961 11.5961 12.6551 12.6551 14.8025 14.8025 14.8652 14.8652 k = 0.4474 0.2477 0.1726 ( 10529 PWs) bands (ev): -41.3769 -41.3769 -23.8784 -23.8784 -21.7788 -21.7788 -21.6256 -21.6256 -21.6221 -21.6221 -20.7501 -20.7501 -20.7499 -20.7499 -8.3757 -8.3757 -5.7184 -5.7184 -5.3997 -5.3997 -5.3996 -5.3996 -3.5512 -3.5512 -3.5222 -3.5222 -3.4428 -3.4428 -2.9071 -2.9071 -2.8956 -2.8956 -1.8497 -1.8497 -1.4530 -1.4530 -1.4491 -1.4491 -1.2888 -1.2888 -0.9077 -0.9077 -0.8815 -0.8815 -0.3402 -0.3402 -0.2227 -0.2227 -0.1988 -0.1988 9.5437 9.5437 11.6079 11.6079 12.6548 12.6548 14.7745 14.7745 14.8135 14.8135 k = 0.4342 0.2405 0.1675 ( 10544 PWs) bands (ev): -41.3769 -41.3769 -23.8797 -23.8797 -21.7767 -21.7767 -21.6259 -21.6259 -21.6223 -21.6223 -20.7497 -20.7497 -20.7495 -20.7495 -8.3810 -8.3810 -5.7167 -5.7167 -5.4063 -5.4063 -5.4062 -5.4062 -3.5469 -3.5469 -3.5178 -3.5178 -3.4494 -3.4494 -2.9110 -2.9110 -2.8994 -2.8994 -1.8334 -1.8334 -1.4452 -1.4452 -1.4414 -1.4414 -1.2900 -1.2900 -0.9077 -0.9077 -0.8815 -0.8815 -0.3396 -0.3396 -0.2207 -0.2207 -0.1968 -0.1968 9.5168 9.5168 11.6223 11.6223 12.6545 12.6545 14.7084 14.7084 14.7384 14.7384 k = 0.4211 0.2332 0.1624 ( 10550 PWs) bands (ev): -41.3769 -41.3769 -23.8813 -23.8813 -21.7743 -21.7743 -21.6261 -21.6261 -21.6226 -21.6226 -20.7492 -20.7492 -20.7490 -20.7490 -8.3873 -8.3873 -5.7147 -5.7147 -5.4141 -5.4141 -5.4140 -5.4140 -3.5420 -3.5420 -3.5129 -3.5129 -3.4572 -3.4572 -2.9153 -2.9153 -2.9036 -2.9036 -1.8138 -1.8138 -1.4359 -1.4359 -1.4322 -1.4322 -1.2913 -1.2913 -0.9078 -0.9078 -0.8816 -0.8816 -0.3388 -0.3388 -0.2182 -0.2182 -0.1943 -0.1943 9.4849 9.4849 11.6390 11.6390 12.6544 12.6544 14.6349 14.6349 14.6627 14.6627 k = 0.4079 0.2259 0.1573 ( 10544 PWs) bands (ev): -41.3769 -41.3769 -23.8830 -23.8830 -21.7714 -21.7714 -21.6265 -21.6265 -21.6229 -21.6229 -20.7487 -20.7487 -20.7485 -20.7485 -8.3947 -8.3947 -5.7123 -5.7123 -5.4232 -5.4232 -5.4231 -5.4231 -3.5367 -3.5367 -3.5076 -3.5076 -3.4660 -3.4660 -2.9199 -2.9199 -2.9080 -2.9080 -1.7912 -1.7912 -1.4251 -1.4251 -1.4216 -1.4216 -1.2929 -1.2929 -0.9078 -0.9078 -0.8818 -0.8818 -0.3379 -0.3379 -0.2153 -0.2153 -0.1915 -0.1915 9.4485 9.4485 11.6575 11.6575 12.6545 12.6545 14.5602 14.5602 14.5871 14.5871 k = 0.3947 0.2186 0.1523 ( 10547 PWs) bands (ev): -41.3769 -41.3769 -23.8850 -23.8850 -21.7681 -21.7681 -21.6268 -21.6268 -21.6233 -21.6233 -20.7480 -20.7480 -20.7478 -20.7478 -8.4031 -8.4031 -5.7097 -5.7097 -5.4334 -5.4334 -5.4332 -5.4332 -3.5312 -3.5312 -3.5024 -3.5024 -3.4756 -3.4756 -2.9245 -2.9245 -2.9125 -2.9125 -1.7657 -1.7657 -1.4131 -1.4131 -1.4097 -1.4097 -1.2946 -1.2946 -0.9079 -0.9079 -0.8819 -0.8819 -0.3370 -0.3370 -0.2121 -0.2121 -0.1882 -0.1882 9.4080 9.4080 11.6773 11.6773 12.6550 12.6550 14.4855 14.4855 14.5120 14.5120 k = 0.3816 0.2113 0.1472 ( 10556 PWs) bands (ev): -41.3769 -41.3769 -23.8873 -23.8873 -21.7645 -21.7645 -21.6272 -21.6272 -21.6237 -21.6237 -20.7473 -20.7473 -20.7471 -20.7471 -8.4123 -8.4123 -5.7067 -5.7067 -5.4445 -5.4445 -5.4444 -5.4444 -3.5258 -3.5258 -3.4984 -3.4984 -3.4847 -3.4847 -2.9289 -2.9289 -2.9167 -2.9167 -1.7378 -1.7378 -1.4000 -1.4000 -1.3968 -1.3968 -1.2965 -1.2965 -0.9080 -0.9080 -0.8820 -0.8820 -0.3359 -0.3359 -0.2084 -0.2084 -0.1847 -0.1847 9.3640 9.3640 11.6979 11.6979 12.6560 12.6560 14.4112 14.4112 14.4375 14.4375 k = 0.3684 0.2040 0.1421 ( 10556 PWs) bands (ev): -41.3769 -41.3769 -23.8897 -23.8897 -21.7605 -21.7605 -21.6277 -21.6277 -21.6241 -21.6241 -20.7466 -20.7466 -20.7464 -20.7464 -8.4224 -8.4224 -5.7035 -5.7035 -5.4566 -5.4566 -5.4564 -5.4564 -3.5206 -3.5206 -3.5016 -3.5016 -3.4877 -3.4877 -2.9327 -2.9327 -2.9204 -2.9204 -1.7075 -1.7075 -1.3858 -1.3858 -1.3830 -1.3830 -1.2985 -1.2985 -0.9080 -0.9080 -0.8822 -0.8822 -0.3347 -0.3347 -0.2045 -0.2045 -0.1807 -0.1807 9.3169 9.3169 11.7188 11.7188 12.6575 12.6575 14.3376 14.3376 14.3638 14.3638 k = 0.3553 0.1967 0.1370 ( 10553 PWs) bands (ev): -41.3769 -41.3769 -23.8923 -23.8923 -21.7563 -21.7563 -21.6281 -21.6281 -21.6246 -21.6246 -20.7458 -20.7458 -20.7456 -20.7456 -8.4333 -8.4333 -5.7001 -5.7001 -5.4693 -5.4693 -5.4692 -5.4692 -3.5160 -3.5160 -3.5119 -3.5119 -3.4846 -3.4846 -2.9358 -2.9358 -2.9235 -2.9235 -1.6753 -1.6753 -1.3708 -1.3708 -1.3685 -1.3685 -1.3004 -1.3004 -0.9081 -0.9081 -0.8824 -0.8824 -0.3335 -0.3335 -0.2002 -0.2002 -0.1765 -0.1765 9.2673 9.2673 11.7396 11.7396 12.6599 12.6599 14.2649 14.2649 14.2913 14.2913 k = 0.3421 0.1894 0.1320 ( 10547 PWs) bands (ev): -41.3769 -41.3769 -23.8951 -23.8951 -21.7517 -21.7517 -21.6287 -21.6287 -21.6251 -21.6251 -20.7449 -20.7449 -20.7447 -20.7447 -8.4448 -8.4448 -5.6965 -5.6965 -5.4827 -5.4827 -5.4825 -5.4825 -3.5236 -3.5236 -3.5121 -3.5121 -3.4812 -3.4812 -2.9378 -2.9378 -2.9255 -2.9255 -1.6413 -1.6413 -1.3552 -1.3552 -1.3535 -1.3535 -1.3022 -1.3022 -0.9082 -0.9082 -0.8825 -0.8825 -0.3322 -0.3322 -0.1956 -0.1956 -0.1720 -0.1720 9.2157 9.2157 11.7599 11.7599 12.6631 12.6631 14.1935 14.1935 14.2199 14.2199 k = 0.3289 0.1822 0.1269 ( 10547 PWs) bands (ev): -41.3769 -41.3769 -23.8981 -23.8981 -21.7469 -21.7469 -21.6292 -21.6292 -21.6257 -21.6257 -20.7439 -20.7439 -20.7437 -20.7437 -8.4569 -8.4569 -5.6926 -5.6926 -5.4966 -5.4966 -5.4964 -5.4964 -3.5359 -3.5359 -3.5092 -3.5092 -3.4786 -3.4786 -2.9386 -2.9386 -2.9264 -2.9264 -1.6059 -1.6059 -1.3389 -1.3389 -1.3388 -1.3388 -1.3032 -1.3032 -0.9083 -0.9083 -0.8827 -0.8827 -0.3308 -0.3308 -0.1908 -0.1908 -0.1673 -0.1673 9.1623 9.1623 11.7792 11.7792 12.6673 12.6673 14.1234 14.1234 14.1500 14.1500 k = 0.3158 0.1749 0.1218 ( 10553 PWs) bands (ev): -41.3769 -41.3769 -23.9011 -23.9011 -21.7419 -21.7419 -21.6298 -21.6298 -21.6262 -21.6262 -20.7430 -20.7430 -20.7428 -20.7428 -8.4695 -8.4695 -5.6886 -5.6886 -5.5109 -5.5109 -5.5107 -5.5107 -3.5484 -3.5484 -3.5074 -3.5074 -3.4772 -3.4772 -2.9380 -2.9380 -2.9260 -2.9260 -1.5694 -1.5694 -1.3261 -1.3261 -1.3222 -1.3222 -1.3019 -1.3019 -0.9084 -0.9084 -0.8829 -0.8829 -0.3295 -0.3295 -0.1858 -0.1858 -0.1624 -0.1624 9.1078 9.1078 11.7974 11.7974 12.6726 12.6726 14.0547 14.0547 14.0815 14.0815 k = 0.3026 0.1676 0.1167 ( 10562 PWs) bands (ev): -41.3769 -41.3769 -23.9043 -23.9043 -21.7368 -21.7368 -21.6303 -21.6303 -21.6268 -21.6268 -20.7420 -20.7420 -20.7418 -20.7418 -8.4825 -8.4825 -5.6845 -5.6845 -5.5255 -5.5255 -5.5252 -5.5252 -3.5609 -3.5609 -3.5069 -3.5069 -3.4770 -3.4770 -2.9359 -2.9359 -2.9242 -2.9242 -1.5320 -1.5320 -1.3196 -1.3196 -1.3053 -1.3053 -1.2939 -1.2939 -0.9084 -0.9084 -0.8831 -0.8831 -0.3281 -0.3281 -0.1806 -0.1806 -0.1572 -0.1572 9.0524 9.0524 11.8142 11.8142 12.6790 12.6790 13.9878 13.9878 14.0147 14.0147 k = 0.2895 0.1603 0.1117 ( 10562 PWs) bands (ev): -41.3769 -41.3769 -23.9075 -23.9075 -21.7315 -21.7315 -21.6309 -21.6309 -21.6274 -21.6274 -20.7409 -20.7409 -20.7407 -20.7407 -8.4958 -8.4958 -5.6803 -5.6803 -5.5402 -5.5402 -5.5399 -5.5399 -3.5733 -3.5733 -3.5077 -3.5077 -3.4783 -3.4783 -2.9323 -2.9323 -2.9210 -2.9210 -1.4941 -1.4941 -1.3187 -1.3187 -1.2881 -1.2881 -1.2800 -1.2800 -0.9085 -0.9085 -0.8834 -0.8834 -0.3267 -0.3267 -0.1753 -0.1753 -0.1520 -0.1520 8.9966 8.9966 11.8294 11.8294 12.6864 12.6864 13.9226 13.9226 13.9497 13.9497 k = 0.2763 0.1530 0.1066 ( 10568 PWs) bands (ev): -41.3769 -41.3769 -23.9108 -23.9108 -21.7261 -21.7261 -21.6315 -21.6315 -21.6280 -21.6280 -20.7399 -20.7399 -20.7397 -20.7397 -8.5094 -8.5094 -5.6760 -5.6760 -5.5550 -5.5550 -5.5547 -5.5547 -3.5856 -3.5856 -3.5098 -3.5098 -3.4809 -3.4809 -2.9271 -2.9271 -2.9163 -2.9163 -1.4563 -1.4563 -1.3195 -1.3195 -1.2709 -1.2709 -1.2640 -1.2640 -0.9085 -0.9085 -0.8836 -0.8836 -0.3253 -0.3253 -0.1699 -0.1699 -0.1467 -0.1467 8.9407 8.9407 11.8428 11.8428 12.6950 12.6950 13.8593 13.8593 13.8866 13.8866 k = 0.2632 0.1457 0.1015 ( 10550 PWs) bands (ev): -41.3769 -41.3769 -23.9141 -23.9141 -21.7206 -21.7206 -21.6321 -21.6321 -21.6286 -21.6286 -20.7388 -20.7388 -20.7386 -20.7386 -8.5231 -8.5231 -5.6717 -5.6717 -5.5697 -5.5697 -5.5694 -5.5694 -3.5977 -3.5977 -3.5131 -3.5131 -3.4848 -3.4848 -2.9205 -2.9205 -2.9102 -2.9102 -1.4191 -1.4191 -1.3200 -1.3200 -1.2537 -1.2537 -1.2474 -1.2474 -0.9085 -0.9085 -0.8838 -0.8838 -0.3240 -0.3240 -0.1645 -0.1645 -0.1413 -0.1413 8.8850 8.8850 11.8546 11.8546 12.7047 12.7047 13.7980 13.7980 13.8256 13.8256 k = 0.2500 0.1384 0.0964 ( 10550 PWs) bands (ev): -41.3769 -41.3769 -23.9174 -23.9174 -21.7151 -21.7151 -21.6327 -21.6327 -21.6292 -21.6292 -20.7378 -20.7378 -20.7376 -20.7376 -8.5367 -8.5367 -5.6674 -5.6674 -5.5842 -5.5842 -5.5839 -5.5839 -3.6094 -3.6094 -3.5176 -3.5176 -3.4900 -3.4900 -2.9127 -2.9127 -2.9029 -2.9029 -1.3845 -1.3845 -1.3184 -1.3184 -1.2367 -1.2367 -1.2305 -1.2305 -0.9085 -0.9085 -0.8840 -0.8840 -0.3226 -0.3226 -0.1590 -0.1590 -0.1359 -0.1359 8.8299 8.8299 11.8645 11.8645 12.7152 12.7152 13.7389 13.7389 13.7667 13.7667 k = 0.2368 0.1312 0.0914 ( 10547 PWs) bands (ev): -41.3769 -41.3769 -23.9207 -23.9207 -21.7097 -21.7097 -21.6334 -21.6334 -21.6299 -21.6299 -20.7367 -20.7367 -20.7365 -20.7365 -8.5504 -8.5504 -5.6631 -5.6631 -5.5985 -5.5985 -5.5982 -5.5982 -3.6208 -3.6208 -3.5232 -3.5232 -3.4962 -3.4962 -2.9037 -2.9037 -2.8945 -2.8945 -1.3581 -1.3581 -1.3092 -1.3092 -1.2200 -1.2200 -1.2136 -1.2136 -0.9084 -0.9084 -0.8842 -0.8842 -0.3214 -0.3214 -0.1536 -0.1536 -0.1306 -0.1306 8.7757 8.7757 11.8728 11.8728 12.7266 12.7266 13.6821 13.6821 13.7101 13.7101 k = 0.2237 0.1239 0.0863 ( 10544 PWs) bands (ev): -41.3769 -41.3769 -23.9240 -23.9240 -21.7042 -21.7042 -21.6340 -21.6340 -21.6305 -21.6305 -20.7356 -20.7356 -20.7354 -20.7354 -8.5639 -8.5639 -5.6588 -5.6588 -5.6125 -5.6125 -5.6122 -5.6122 -3.6317 -3.6317 -3.5296 -3.5296 -3.5032 -3.5032 -2.8938 -2.8938 -2.8853 -2.8853 -1.3470 -1.3470 -1.2854 -1.2854 -1.2036 -1.2036 -1.1968 -1.1968 -0.9083 -0.9083 -0.8844 -0.8844 -0.3202 -0.3202 -0.1483 -0.1483 -0.1253 -0.1253 8.7226 8.7226 11.8796 11.8796 12.7386 12.7386 13.6277 13.6277 13.6559 13.6559 k = 0.2105 0.1166 0.0812 ( 10550 PWs) bands (ev): -41.3769 -41.3769 -23.9272 -23.9272 -21.6989 -21.6989 -21.6346 -21.6346 -21.6311 -21.6311 -20.7346 -20.7346 -20.7344 -20.7344 -8.5771 -8.5771 -5.6547 -5.6547 -5.6261 -5.6261 -5.6257 -5.6257 -3.6422 -3.6422 -3.5367 -3.5367 -3.5109 -3.5109 -2.8833 -2.8833 -2.8753 -2.8753 -1.3450 -1.3450 -1.2537 -1.2537 -1.1877 -1.1877 -1.1800 -1.1800 -0.9082 -0.9082 -0.8846 -0.8846 -0.3190 -0.3190 -0.1431 -0.1431 -0.1201 -0.1201 8.6709 8.6709 11.8848 11.8848 12.7511 12.7511 13.5758 13.5758 13.6042 13.6042 k = 0.1974 0.1093 0.0761 ( 10553 PWs) bands (ev): -41.3769 -41.3769 -23.9303 -23.9303 -21.6937 -21.6937 -21.6351 -21.6351 -21.6317 -21.6317 -20.7336 -20.7336 -20.7334 -20.7334 -8.5900 -8.5900 -5.6506 -5.6506 -5.6392 -5.6392 -5.6388 -5.6388 -3.6522 -3.6522 -3.5443 -3.5443 -3.5192 -3.5192 -2.8722 -2.8722 -2.8649 -2.8649 -1.3457 -1.3457 -1.2210 -1.2210 -1.1722 -1.1722 -1.1628 -1.1628 -0.9080 -0.9080 -0.8848 -0.8848 -0.3180 -0.3180 -0.1380 -0.1380 -0.1151 -0.1151 8.6210 8.6210 11.8887 11.8887 12.7639 12.7639 13.5265 13.5265 13.5550 13.5550 k = 0.1842 0.1020 0.0711 ( 10553 PWs) bands (ev): -41.3769 -41.3769 -23.9334 -23.9334 -21.6886 -21.6886 -21.6357 -21.6357 -21.6322 -21.6322 -20.7326 -20.7326 -20.7324 -20.7324 -8.6025 -8.6025 -5.6517 -5.6517 -5.6515 -5.6515 -5.6464 -5.6464 -3.6616 -3.6616 -3.5522 -3.5522 -3.5277 -3.5277 -2.8610 -2.8610 -2.8541 -2.8541 -1.3473 -1.3473 -1.1901 -1.1901 -1.1574 -1.1574 -1.1447 -1.1447 -0.9077 -0.9077 -0.8850 -0.8850 -0.3170 -0.3170 -0.1331 -0.1331 -0.1103 -0.1103 8.5730 8.5730 11.8915 11.8915 12.7768 12.7768 13.4799 13.4799 13.5086 13.5086 k = 0.1711 0.0947 0.0660 ( 10556 PWs) bands (ev): -41.3769 -41.3769 -23.9363 -23.9363 -21.6838 -21.6838 -21.6362 -21.6362 -21.6328 -21.6328 -20.7316 -20.7316 -20.7314 -20.7314 -8.6145 -8.6145 -5.6636 -5.6636 -5.6634 -5.6634 -5.6428 -5.6428 -3.6705 -3.6705 -3.5603 -3.5603 -3.5363 -3.5363 -2.8497 -2.8497 -2.8433 -2.8433 -1.3493 -1.3493 -1.1633 -1.1633 -1.1433 -1.1433 -1.1241 -1.1241 -0.9073 -0.9073 -0.8851 -0.8851 -0.3161 -0.3161 -0.1285 -0.1285 -0.1056 -0.1056 8.5272 8.5272 11.8933 11.8933 12.7897 12.7897 13.4361 13.4361 13.4649 13.4649 k = 0.1579 0.0874 0.0609 ( 10565 PWs) bands (ev): -41.3769 -41.3769 -23.9390 -23.9390 -21.6792 -21.6792 -21.6367 -21.6367 -21.6333 -21.6333 -20.7307 -20.7307 -20.7305 -20.7305 -8.6259 -8.6259 -5.6749 -5.6749 -5.6746 -5.6746 -5.6392 -5.6392 -3.6788 -3.6788 -3.5684 -3.5684 -3.5449 -3.5449 -2.8385 -2.8385 -2.8326 -2.8326 -1.3513 -1.3513 -1.1421 -1.1421 -1.1299 -1.1299 -1.1001 -1.1001 -0.9069 -0.9069 -0.8853 -0.8853 -0.3153 -0.3153 -0.1240 -0.1240 -0.1012 -0.1012 8.4837 8.4837 11.8943 11.8943 12.8022 12.8022 13.3952 13.3952 13.4242 13.4242 k = 0.1447 0.0802 0.0558 ( 10559 PWs) bands (ev): -41.3769 -41.3769 -23.9417 -23.9417 -21.6748 -21.6748 -21.6372 -21.6372 -21.6338 -21.6338 -20.7298 -20.7298 -20.7296 -20.7296 -8.6367 -8.6367 -5.6854 -5.6854 -5.6851 -5.6851 -5.6358 -5.6358 -3.6865 -3.6865 -3.5764 -3.5764 -3.5533 -3.5533 -2.8276 -2.8276 -2.8221 -2.8221 -1.3534 -1.3534 -1.1255 -1.1255 -1.1173 -1.1173 -1.0740 -1.0740 -0.9063 -0.9063 -0.8854 -0.8854 -0.3146 -0.3146 -0.1199 -0.1199 -0.0971 -0.0971 8.4430 8.4430 11.8946 11.8946 12.8144 12.8144 13.3573 13.3573 13.3863 13.3863 k = 0.1316 0.0729 0.0508 ( 10565 PWs) bands (ev): -41.3769 -41.3769 -23.9441 -23.9441 -21.6707 -21.6707 -21.6376 -21.6376 -21.6343 -21.6343 -20.7290 -20.7290 -20.7288 -20.7288 -8.6468 -8.6468 -5.6952 -5.6952 -5.6949 -5.6949 -5.6326 -5.6326 -3.6936 -3.6936 -3.5840 -3.5840 -3.5614 -3.5614 -2.8172 -2.8172 -2.8121 -2.8121 -1.3554 -1.3554 -1.1118 -1.1118 -1.1056 -1.1056 -1.0479 -1.0479 -0.9055 -0.9055 -0.8854 -0.8854 -0.3140 -0.3140 -0.1160 -0.1160 -0.0933 -0.0933 8.4050 8.4050 11.8943 11.8943 12.8260 12.8260 13.3224 13.3224 13.3515 13.3515 k = 0.1184 0.0656 0.0457 ( 10564 PWs) bands (ev): -41.3769 -41.3769 -23.9464 -23.9464 -21.6669 -21.6669 -21.6380 -21.6380 -21.6347 -21.6347 -20.7283 -20.7283 -20.7281 -20.7281 -8.6561 -8.6561 -5.7042 -5.7042 -5.7039 -5.7039 -5.6297 -5.6297 -3.7001 -3.7001 -3.5913 -3.5913 -3.5691 -3.5691 -2.8074 -2.8074 -2.8027 -2.8027 -1.3573 -1.3573 -1.1000 -1.1000 -1.0949 -1.0949 -1.0231 -1.0231 -0.9046 -0.9046 -0.8855 -0.8855 -0.3135 -0.3135 -0.1125 -0.1125 -0.0898 -0.0898 8.3700 8.3700 11.8937 11.8937 12.8368 12.8368 13.2907 13.2907 13.3198 13.3198 k = 0.1053 0.0583 0.0406 ( 10576 PWs) bands (ev): -41.3769 -41.3769 -23.9484 -23.9484 -21.6635 -21.6635 -21.6384 -21.6384 -21.6351 -21.6351 -20.7276 -20.7276 -20.7274 -20.7274 -8.6645 -8.6645 -5.7123 -5.7123 -5.7120 -5.7120 -5.6270 -5.6270 -3.7059 -3.7059 -3.5981 -3.5981 -3.5761 -3.5761 -2.7984 -2.7984 -2.7939 -2.7939 -1.3591 -1.3591 -1.0897 -1.0897 -1.0851 -1.0851 -1.0004 -1.0004 -0.9033 -0.9033 -0.8855 -0.8855 -0.3131 -0.3131 -0.1093 -0.1093 -0.0866 -0.0866 8.3383 8.3383 11.8929 11.8929 12.8469 12.8469 13.2621 13.2621 13.2913 13.2913 k = 0.0921 0.0510 0.0355 ( 10582 PWs) bands (ev): -41.3769 -41.3769 -23.9503 -23.9503 -21.6604 -21.6604 -21.6387 -21.6387 -21.6354 -21.6354 -20.7270 -20.7270 -20.7268 -20.7268 -8.6721 -8.6721 -5.7196 -5.7196 -5.7192 -5.7192 -5.6246 -5.6246 -3.7110 -3.7110 -3.6043 -3.6043 -3.5826 -3.5826 -2.7901 -2.7901 -2.7859 -2.7859 -1.3607 -1.3607 -1.0807 -1.0807 -1.0764 -1.0764 -0.9802 -0.9802 -0.9017 -0.9017 -0.8856 -0.8856 -0.3127 -0.3127 -0.1065 -0.1065 -0.0837 -0.0837 8.3099 8.3099 11.8918 11.8918 12.8559 12.8559 13.2368 13.2368 13.2660 13.2660 k = 0.0789 0.0437 0.0305 ( 10576 PWs) bands (ev): -41.3769 -41.3769 -23.9519 -23.9519 -21.6577 -21.6577 -21.6390 -21.6390 -21.6357 -21.6357 -20.7264 -20.7264 -20.7262 -20.7262 -8.6788 -8.6788 -5.7259 -5.7259 -5.7256 -5.7256 -5.6224 -5.6224 -3.7155 -3.7155 -3.6098 -3.6098 -3.5883 -3.5883 -2.7828 -2.7828 -2.7788 -2.7788 -1.3621 -1.3621 -1.0730 -1.0730 -1.0687 -1.0687 -0.9629 -0.9629 -0.8996 -0.8996 -0.8856 -0.8856 -0.3125 -0.3125 -0.1040 -0.1040 -0.0812 -0.0812 8.2849 8.2849 11.8908 11.8908 12.8640 12.8640 13.2147 13.2147 13.2439 13.2439 k = 0.0658 0.0364 0.0254 ( 10570 PWs) bands (ev): -41.3769 -41.3769 -23.9533 -23.9533 -21.6554 -21.6554 -21.6392 -21.6392 -21.6360 -21.6360 -20.7260 -20.7260 -20.7258 -20.7258 -8.6846 -8.6846 -5.7313 -5.7313 -5.7310 -5.7310 -5.6206 -5.6206 -3.7192 -3.7192 -3.6146 -3.6146 -3.5933 -3.5933 -2.7765 -2.7765 -2.7727 -2.7727 -1.3633 -1.3633 -1.0665 -1.0665 -1.0622 -1.0622 -0.9490 -0.9490 -0.8968 -0.8968 -0.8855 -0.8855 -0.3123 -0.3123 -0.1019 -0.1019 -0.0791 -0.0791 8.2636 8.2636 11.8897 11.8897 12.8709 12.8709 13.1960 13.1960 13.2252 13.2252 k = 0.0526 0.0291 0.0203 ( 10591 PWs) bands (ev): -41.3769 -41.3769 -23.9544 -23.9544 -21.6535 -21.6535 -21.6393 -21.6393 -21.6362 -21.6362 -20.7256 -20.7256 -20.7254 -20.7254 -8.6893 -8.6893 -5.7357 -5.7357 -5.7354 -5.7354 -5.6191 -5.6191 -3.7223 -3.7223 -3.6186 -3.6186 -3.5974 -3.5974 -2.7713 -2.7713 -2.7675 -2.7675 -1.3643 -1.3643 -1.0612 -1.0612 -1.0568 -1.0568 -0.9385 -0.9385 -0.8933 -0.8933 -0.8855 -0.8855 -0.3121 -0.3121 -0.1001 -0.1001 -0.0774 -0.0774 8.2460 8.2460 11.8888 11.8888 12.8766 12.8766 13.1807 13.1807 13.2098 13.2098 k = 0.0395 0.0219 0.0152 ( 10603 PWs) bands (ev): -41.3769 -41.3769 -23.9553 -23.9553 -21.6520 -21.6520 -21.6394 -21.6394 -21.6364 -21.6364 -20.7253 -20.7253 -20.7251 -20.7251 -8.6930 -8.6930 -5.7392 -5.7392 -5.7389 -5.7389 -5.6180 -5.6180 -3.7248 -3.7248 -3.6217 -3.6217 -3.6007 -3.6007 -2.7671 -2.7671 -2.7635 -2.7635 -1.3651 -1.3651 -1.0570 -1.0570 -1.0526 -1.0526 -0.9314 -0.9314 -0.8895 -0.8895 -0.8855 -0.8855 -0.3120 -0.3120 -0.0988 -0.0988 -0.0760 -0.0760 8.2323 8.2323 11.8880 11.8880 12.8811 12.8811 13.1687 13.1687 13.1978 13.1978 k = 0.0263 0.0146 0.0102 ( 10603 PWs) bands (ev): -41.3769 -41.3769 -23.9560 -23.9560 -21.6510 -21.6510 -21.6395 -21.6395 -21.6365 -21.6365 -20.7251 -20.7251 -20.7249 -20.7249 -8.6957 -8.6957 -5.7417 -5.7417 -5.7414 -5.7414 -5.6171 -5.6171 -3.7265 -3.7265 -3.6240 -3.6240 -3.6031 -3.6031 -2.7642 -2.7642 -2.7606 -2.7606 -1.3656 -1.3656 -1.0541 -1.0541 -1.0496 -1.0496 -0.9270 -0.9270 -0.8859 -0.8859 -0.8855 -0.8855 -0.3120 -0.3120 -0.0978 -0.0978 -0.0751 -0.0751 8.2224 8.2224 11.8874 11.8874 12.8844 12.8844 13.1601 13.1601 13.1892 13.1892 k = 0.0132 0.0073 0.0051 ( 10591 PWs) bands (ev): -41.3769 -41.3769 -23.9564 -23.9564 -21.6504 -21.6504 -21.6395 -21.6395 -21.6366 -21.6366 -20.7249 -20.7249 -20.7247 -20.7247 -8.6973 -8.6973 -5.7432 -5.7432 -5.7429 -5.7429 -5.6166 -5.6166 -3.7275 -3.7275 -3.6253 -3.6253 -3.6045 -3.6045 -2.7624 -2.7624 -2.7589 -2.7589 -1.3660 -1.3660 -1.0523 -1.0523 -1.0478 -1.0478 -0.9247 -0.9247 -0.8855 -0.8855 -0.8835 -0.8835 -0.3119 -0.3119 -0.0972 -0.0972 -0.0745 -0.0745 8.2164 8.2164 11.8870 11.8870 12.8863 12.8863 13.1550 13.1550 13.1841 13.1841 k = 0.0000 0.0000 0.0000 ( 10591 PWs) bands (ev): -41.3769 -41.3769 -23.9565 -23.9565 -21.6502 -21.6502 -21.6396 -21.6396 -21.6366 -21.6366 -20.7249 -20.7249 -20.7247 -20.7247 -8.6978 -8.6978 -5.7437 -5.7437 -5.7434 -5.7434 -5.6164 -5.6164 -3.7279 -3.7279 -3.6258 -3.6258 -3.6050 -3.6050 -2.7617 -2.7617 -2.7583 -2.7583 -1.3661 -1.3661 -1.0517 -1.0517 -1.0471 -1.0471 -0.9240 -0.9240 -0.8855 -0.8855 -0.8826 -0.8826 -0.3119 -0.3119 -0.0970 -0.0970 -0.0743 -0.0743 8.2144 8.2144 11.8869 11.8869 12.8870 12.8870 13.1533 13.1533 13.1824 13.1824 k = 0.0000 0.0000 0.0000 ( 10591 PWs) bands (ev): -41.3769 -41.3769 -23.9565 -23.9565 -21.6502 -21.6502 -21.6396 -21.6396 -21.6366 -21.6366 -20.7249 -20.7249 -20.7247 -20.7247 -8.6978 -8.6978 -5.7437 -5.7437 -5.7434 -5.7434 -5.6164 -5.6164 -3.7279 -3.7279 -3.6258 -3.6258 -3.6050 -3.6050 -2.7617 -2.7617 -2.7583 -2.7583 -1.3661 -1.3661 -1.0517 -1.0517 -1.0471 -1.0471 -0.9240 -0.9240 -0.8855 -0.8855 -0.8826 -0.8826 -0.3119 -0.3119 -0.0970 -0.0970 -0.0743 -0.0743 8.2144 8.2144 11.8869 11.8869 12.8870 12.8870 13.1533 13.1533 13.1824 13.1824 k = 0.0077-0.0048-0.0131 ( 10595 PWs) bands (ev): -41.3769 -41.3769 -23.9564 -23.9564 -21.6501 -21.6501 -21.6397 -21.6397 -21.6367 -21.6367 -20.7250 -20.7250 -20.7247 -20.7247 -8.6974 -8.6974 -5.7436 -5.7436 -5.7431 -5.7431 -5.6162 -5.6162 -3.7273 -3.7273 -3.6255 -3.6255 -3.6046 -3.6046 -2.7624 -2.7624 -2.7588 -2.7588 -1.3658 -1.3658 -1.0521 -1.0521 -1.0474 -1.0474 -0.9245 -0.9245 -0.8865 -0.8865 -0.8831 -0.8831 -0.3117 -0.3117 -0.0971 -0.0971 -0.0744 -0.0744 8.2164 8.2164 11.8858 11.8858 12.8890 12.8890 13.1543 13.1543 13.1835 13.1835 k = 0.0155-0.0097-0.0262 ( 10591 PWs) bands (ev): -41.3769 -41.3769 -23.9559 -23.9559 -21.6501 -21.6501 -21.6400 -21.6400 -21.6370 -21.6370 -20.7253 -20.7253 -20.7247 -20.7247 -8.6960 -8.6960 -5.7436 -5.7436 -5.7419 -5.7419 -5.6153 -5.6153 -3.7257 -3.7257 -3.6245 -3.6245 -3.6035 -3.6035 -2.7644 -2.7644 -2.7603 -2.7603 -1.3652 -1.3652 -1.0532 -1.0532 -1.0479 -1.0479 -0.9262 -0.9262 -0.8897 -0.8897 -0.8843 -0.8843 -0.3110 -0.3110 -0.0973 -0.0973 -0.0746 -0.0746 8.2222 8.2222 11.8825 11.8825 12.8948 12.8948 13.1568 13.1568 13.1873 13.1873 k = 0.0232-0.0145-0.0393 ( 10599 PWs) bands (ev): -41.3769 -41.3769 -23.9553 -23.9553 -21.6499 -21.6499 -21.6406 -21.6406 -21.6374 -21.6374 -20.7257 -20.7257 -20.7248 -20.7248 -8.6938 -8.6938 -5.7435 -5.7435 -5.7400 -5.7400 -5.6139 -5.6139 -3.7229 -3.7229 -3.6232 -3.6232 -3.6015 -3.6015 -2.7682 -2.7682 -2.7622 -2.7622 -1.3640 -1.3640 -1.0553 -1.0553 -1.0487 -1.0487 -0.9293 -0.9293 -0.8950 -0.8950 -0.8860 -0.8860 -0.3098 -0.3098 -0.0976 -0.0976 -0.0750 -0.0750 8.2318 8.2318 11.8771 11.8771 12.9045 12.9045 13.1593 13.1593 13.1953 13.1953 k = 0.0309-0.0194-0.0524 ( 10601 PWs) bands (ev): -41.3769 -41.3769 -23.9543 -23.9543 -21.6498 -21.6498 -21.6415 -21.6415 -21.6377 -21.6377 -20.7264 -20.7264 -20.7248 -20.7248 -8.6908 -8.6908 -5.7434 -5.7434 -5.7374 -5.7374 -5.6119 -5.6119 -3.7191 -3.7191 -3.6217 -3.6217 -3.5982 -3.5982 -2.7738 -2.7738 -2.7645 -2.7645 -1.3625 -1.3625 -1.0586 -1.0586 -1.0496 -1.0496 -0.9343 -0.9343 -0.9017 -0.9017 -0.8883 -0.8883 -0.3082 -0.3082 -0.0982 -0.0982 -0.0755 -0.0755 8.2452 8.2452 11.8698 11.8698 12.9180 12.9180 13.1608 13.1608 13.2082 13.2082 k = 0.0387-0.0242-0.0655 ( 10605 PWs) bands (ev): -41.3769 -41.3769 -23.9531 -23.9531 -21.6497 -21.6497 -21.6428 -21.6428 -21.6380 -21.6380 -20.7272 -20.7272 -20.7249 -20.7249 -8.6869 -8.6869 -5.7433 -5.7433 -5.7341 -5.7341 -5.6093 -5.6093 -3.7143 -3.7143 -3.6204 -3.6204 -3.5935 -3.5935 -2.7811 -2.7811 -2.7673 -2.7673 -1.3606 -1.3606 -1.0631 -1.0631 -1.0506 -1.0506 -0.9416 -0.9416 -0.9089 -0.9089 -0.8911 -0.8911 -0.3062 -0.3062 -0.0988 -0.0988 -0.0763 -0.0763 8.2623 8.2623 11.8608 11.8608 12.9351 12.9351 13.1612 13.1612 13.2259 13.2259 k = 0.0464-0.0291-0.0786 ( 10605 PWs) bands (ev): -41.3769 -41.3769 -23.9516 -23.9516 -21.6498 -21.6498 -21.6444 -21.6444 -21.6382 -21.6382 -20.7282 -20.7282 -20.7250 -20.7250 -8.6821 -8.6821 -5.7431 -5.7431 -5.7301 -5.7301 -5.6061 -5.6061 -3.7084 -3.7084 -3.6194 -3.6194 -3.5873 -3.5873 -2.7898 -2.7898 -2.7707 -2.7707 -1.3585 -1.3585 -1.0691 -1.0691 -1.0518 -1.0518 -0.9518 -0.9518 -0.9157 -0.9157 -0.8943 -0.8943 -0.3039 -0.3039 -0.0997 -0.0997 -0.0771 -0.0771 8.2831 8.2831 11.8503 11.8503 12.9558 12.9558 13.1607 13.1607 13.2479 13.2479 k = 0.0541-0.0339-0.0917 ( 10603 PWs) bands (ev): -41.3769 -41.3769 -23.9498 -23.9498 -21.6503 -21.6503 -21.6459 -21.6459 -21.6382 -21.6382 -20.7293 -20.7293 -20.7251 -20.7251 -8.6766 -8.6766 -5.7430 -5.7430 -5.7256 -5.7256 -5.6021 -5.6021 -3.7016 -3.7016 -3.6186 -3.6186 -3.5796 -3.5796 -2.8000 -2.8000 -2.7746 -2.7746 -1.3562 -1.3562 -1.0768 -1.0768 -1.0534 -1.0534 -0.9644 -0.9644 -0.9221 -0.9221 -0.8981 -0.8981 -0.3013 -0.3013 -0.1007 -0.1007 -0.0781 -0.0781 8.3074 8.3074 11.8387 11.8387 12.9798 12.9798 13.1597 13.1597 13.2736 13.2736 k = 0.0619-0.0387-0.1048 ( 10605 PWs) bands (ev): -41.3769 -41.3769 -23.9478 -23.9478 -21.6517 -21.6517 -21.6471 -21.6471 -21.6381 -21.6381 -20.7306 -20.7306 -20.7252 -20.7252 -8.6702 -8.6702 -5.7427 -5.7427 -5.7206 -5.7206 -5.5975 -5.5975 -3.6939 -3.6939 -3.6179 -3.6179 -3.5706 -3.5706 -2.8114 -2.8114 -2.7790 -2.7790 -1.3539 -1.3539 -1.0864 -1.0864 -1.0553 -1.0553 -0.9786 -0.9786 -0.9281 -0.9281 -0.9022 -0.9022 -0.2985 -0.2985 -0.1020 -0.1020 -0.0793 -0.0793 8.3352 8.3352 11.8261 11.8261 13.0069 13.0069 13.1585 13.1585 13.3024 13.3024 k = 0.0696-0.0436-0.1179 ( 10611 PWs) bands (ev): -41.3769 -41.3769 -23.9456 -23.9456 -21.6540 -21.6540 -21.6478 -21.6478 -21.6378 -21.6378 -20.7320 -20.7320 -20.7254 -20.7254 -8.6631 -8.6631 -5.7424 -5.7424 -5.7152 -5.7152 -5.5921 -5.5921 -3.6854 -3.6854 -3.6173 -3.6173 -3.5604 -3.5604 -2.8240 -2.8240 -2.7839 -2.7839 -1.3517 -1.3517 -1.0985 -1.0985 -1.0579 -1.0579 -0.9932 -0.9932 -0.9342 -0.9342 -0.9066 -0.9066 -0.2954 -0.2954 -0.1035 -0.1035 -0.0806 -0.0806 8.3662 8.3662 11.8130 11.8130 13.0367 13.0367 13.1574 13.1574 13.3339 13.3339 k = 0.0774-0.0484-0.1310 ( 10605 PWs) bands (ev): -41.3769 -41.3769 -23.9432 -23.9432 -21.6569 -21.6569 -21.6484 -21.6484 -21.6372 -21.6372 -20.7335 -20.7335 -20.7255 -20.7255 -8.6553 -8.6553 -5.7421 -5.7421 -5.7094 -5.7094 -5.5859 -5.5859 -3.6761 -3.6761 -3.6167 -3.6167 -3.5492 -3.5492 -2.8375 -2.8375 -2.7893 -2.7893 -1.3499 -1.3499 -1.1134 -1.1134 -1.0612 -1.0612 -1.0070 -1.0070 -0.9406 -0.9406 -0.9113 -0.9113 -0.2922 -0.2922 -0.1053 -0.1053 -0.0820 -0.0820 8.4004 8.4004 11.7995 11.7995 13.0681 13.0681 13.1572 13.1572 13.3674 13.3674 k = 0.0851-0.0533-0.1441 ( 10613 PWs) bands (ev): -41.3769 -41.3769 -23.9405 -23.9405 -21.6602 -21.6602 -21.6491 -21.6491 -21.6365 -21.6365 -20.7352 -20.7352 -20.7258 -20.7258 -8.6467 -8.6467 -5.7417 -5.7417 -5.7034 -5.7034 -5.5788 -5.5788 -3.6661 -3.6661 -3.6160 -3.6160 -3.5372 -3.5372 -2.8518 -2.8518 -2.7951 -2.7951 -1.3486 -1.3486 -1.1313 -1.1313 -1.0655 -1.0655 -1.0192 -1.0192 -0.9474 -0.9474 -0.9161 -0.9161 -0.2890 -0.2890 -0.1074 -0.1074 -0.0836 -0.0836 8.4377 8.4377 11.7859 11.7859 13.0981 13.0981 13.1609 13.1609 13.4025 13.4025 k = 0.0928-0.0581-0.1572 ( 10611 PWs) bands (ev): -41.3769 -41.3769 -23.9376 -23.9376 -21.6637 -21.6637 -21.6499 -21.6499 -21.6356 -21.6356 -20.7369 -20.7369 -20.7260 -20.7260 -8.6375 -8.6375 -5.7412 -5.7412 -5.6972 -5.6972 -5.5709 -5.5709 -3.6557 -3.6557 -3.6150 -3.6150 -3.5245 -3.5245 -2.8666 -2.8666 -2.8014 -2.8014 -1.3484 -1.3484 -1.1519 -1.1519 -1.0709 -1.0709 -1.0293 -1.0293 -0.9547 -0.9547 -0.9209 -0.9209 -0.2856 -0.2856 -0.1097 -0.1097 -0.0852 -0.0852 8.4777 8.4777 11.7724 11.7724 13.1183 13.1183 13.1766 13.1766 13.4385 13.4385 k = 0.1006-0.0629-0.1703 ( 10607 PWs) bands (ev): -41.3769 -41.3769 -23.9346 -23.9346 -21.6675 -21.6675 -21.6508 -21.6508 -21.6346 -21.6346 -20.7387 -20.7387 -20.7263 -20.7263 -8.6277 -8.6277 -5.7406 -5.7406 -5.6909 -5.6909 -5.5622 -5.5622 -3.6450 -3.6450 -3.6135 -3.6135 -3.5113 -3.5113 -2.8819 -2.8819 -2.8080 -2.8080 -1.3498 -1.3498 -1.1741 -1.1741 -1.0773 -1.0773 -1.0375 -1.0375 -0.9625 -0.9625 -0.9256 -0.9256 -0.2823 -0.2823 -0.1123 -0.1123 -0.0870 -0.0870 8.5204 8.5204 11.7594 11.7594 13.1239 13.1239 13.2087 13.2087 13.4745 13.4745 k = 0.1083-0.0678-0.1834 ( 10605 PWs) bands (ev): -41.3769 -41.3769 -23.9314 -23.9314 -21.6714 -21.6714 -21.6519 -21.6519 -21.6335 -21.6335 -20.7405 -20.7405 -20.7267 -20.7267 -8.6173 -8.6173 -5.7399 -5.7399 -5.6846 -5.6846 -5.5526 -5.5526 -3.6347 -3.6347 -3.6109 -3.6109 -3.4980 -3.4980 -2.8972 -2.8972 -2.8150 -2.8150 -1.3537 -1.3537 -1.1968 -1.1968 -1.0845 -1.0845 -1.0444 -1.0444 -0.9710 -0.9710 -0.9301 -0.9301 -0.2790 -0.2790 -0.1152 -0.1152 -0.0888 -0.0888 8.5656 8.5656 11.7469 11.7469 13.1225 13.1225 13.2494 13.2494 13.5097 13.5097 k = 0.1160-0.0726-0.1965 ( 10597 PWs) bands (ev): -41.3769 -41.3769 -23.9280 -23.9280 -21.6755 -21.6755 -21.6531 -21.6531 -21.6323 -21.6323 -20.7424 -20.7424 -20.7271 -20.7271 -8.6063 -8.6063 -5.7391 -5.7391 -5.6782 -5.6782 -5.5423 -5.5423 -3.6261 -3.6261 -3.6059 -3.6059 -3.4847 -3.4847 -2.9125 -2.9125 -2.8222 -2.8222 -1.3612 -1.3612 -1.2182 -1.2182 -1.0921 -1.0921 -1.0507 -1.0507 -0.9800 -0.9800 -0.9343 -0.9343 -0.2757 -0.2757 -0.1184 -0.1184 -0.0908 -0.0908 8.6131 8.6131 11.7351 11.7351 13.1182 13.1182 13.2939 13.2939 13.5431 13.5431 k = 0.1238-0.0775-0.2096 ( 10593 PWs) bands (ev): -41.3769 -41.3769 -23.9245 -23.9245 -21.6797 -21.6797 -21.6544 -21.6544 -21.6311 -21.6311 -20.7443 -20.7443 -20.7275 -20.7275 -8.5949 -8.5949 -5.7382 -5.7382 -5.6719 -5.6719 -5.5312 -5.5312 -3.6206 -3.6206 -3.5973 -3.5973 -3.4716 -3.4716 -2.9274 -2.9274 -2.8298 -2.8298 -1.3736 -1.3736 -1.2367 -1.2367 -1.0998 -1.0998 -1.0567 -1.0567 -0.9896 -0.9896 -0.9382 -0.9382 -0.2725 -0.2725 -0.1219 -0.1219 -0.0928 -0.0928 8.6627 8.6627 11.7244 11.7244 13.1124 13.1124 13.3405 13.3405 13.5736 13.5736 k = 0.1315-0.0823-0.2227 ( 10603 PWs) bands (ev): -41.3769 -41.3769 -23.9209 -23.9209 -21.6839 -21.6839 -21.6558 -21.6558 -21.6299 -21.6299 -20.7462 -20.7462 -20.7280 -20.7280 -8.5830 -8.5830 -5.7372 -5.7372 -5.6656 -5.6656 -5.5194 -5.5194 -3.6174 -3.6174 -3.5858 -3.5858 -3.4591 -3.4591 -2.9416 -2.9416 -2.8375 -2.8375 -1.3914 -1.3914 -1.2514 -1.2514 -1.1076 -1.1076 -1.0628 -1.0628 -0.9997 -0.9997 -0.9417 -0.9417 -0.2694 -0.2694 -0.1256 -0.1256 -0.0950 -0.0950 8.7141 8.7141 11.7147 11.7147 13.1052 13.1052 13.3878 13.3878 13.6005 13.6005 k = 0.1392-0.0872-0.2358 ( 10603 PWs) bands (ev): -41.3769 -41.3769 -23.9172 -23.9172 -21.6882 -21.6882 -21.6574 -21.6574 -21.6287 -21.6287 -20.7480 -20.7480 -20.7286 -20.7286 -8.5707 -8.5707 -5.7360 -5.7360 -5.6593 -5.6593 -5.5071 -5.5071 -3.6151 -3.6151 -3.5731 -3.5731 -3.4473 -3.4473 -2.9549 -2.9549 -2.8453 -2.8453 -1.4143 -1.4143 -1.2623 -1.2623 -1.1153 -1.1153 -1.0694 -1.0694 -1.0104 -1.0104 -0.9448 -0.9448 -0.2664 -0.2664 -0.1295 -0.1295 -0.0973 -0.0973 8.7672 8.7672 11.7064 11.7064 13.0968 13.0968 13.4340 13.4340 13.6240 13.6240 k = 0.1470-0.0920-0.2489 ( 10605 PWs) bands (ev): -41.3769 -41.3769 -23.9134 -23.9134 -21.6925 -21.6925 -21.6589 -21.6589 -21.6276 -21.6276 -20.7498 -20.7498 -20.7293 -20.7293 -8.5580 -8.5580 -5.7347 -5.7347 -5.6531 -5.6531 -5.4944 -5.4944 -3.6131 -3.6131 -3.5598 -3.5598 -3.4364 -3.4364 -2.9672 -2.9672 -2.8533 -2.8533 -1.4408 -1.4408 -1.2704 -1.2704 -1.1227 -1.1227 -1.0764 -1.0764 -1.0215 -1.0215 -0.9474 -0.9474 -0.2635 -0.2635 -0.1336 -0.1336 -0.0997 -0.0997 8.8216 8.8216 11.6994 11.6994 13.0872 13.0872 13.4762 13.4762 13.6461 13.6461 k = 0.1547-0.0968-0.2620 ( 10597 PWs) bands (ev): -41.3769 -41.3769 -23.9095 -23.9095 -21.6967 -21.6967 -21.6606 -21.6606 -21.6265 -21.6265 -20.7516 -20.7516 -20.7300 -20.7300 -8.5451 -8.5451 -5.7333 -5.7333 -5.6469 -5.6469 -5.4814 -5.4814 -3.6111 -3.6111 -3.5463 -3.5463 -3.4267 -3.4267 -2.9781 -2.9781 -2.8612 -2.8612 -1.4696 -1.4696 -1.2771 -1.2771 -1.1297 -1.1297 -1.0842 -1.0842 -1.0330 -1.0330 -0.9494 -0.9494 -0.2608 -0.2608 -0.1379 -0.1379 -0.1023 -0.1023 8.8773 8.8773 11.6941 11.6941 13.0763 13.0763 13.5099 13.5099 13.6715 13.6715 k = 0.1624-0.1017-0.2751 ( 10589 PWs) bands (ev): -41.3769 -41.3769 -23.9056 -23.9056 -21.7009 -21.7009 -21.6623 -21.6623 -21.6255 -21.6255 -20.7532 -20.7532 -20.7307 -20.7307 -8.5318 -8.5318 -5.7316 -5.7316 -5.6406 -5.6406 -5.4682 -5.4682 -3.6091 -3.6091 -3.5330 -3.5330 -3.4180 -3.4180 -2.9876 -2.9876 -2.8692 -2.8692 -1.4993 -1.4993 -1.2831 -1.2831 -1.1362 -1.1362 -1.0925 -1.0925 -1.0449 -1.0449 -0.9510 -0.9510 -0.2582 -0.2582 -0.1423 -0.1423 -0.1050 -0.1050 8.9340 8.9340 11.6904 11.6904 13.0640 13.0640 13.5308 13.5308 13.7051 13.7051 k = 0.1702-0.1065-0.2882 ( 10589 PWs) bands (ev): -41.3769 -41.3769 -23.9017 -23.9017 -21.7050 -21.7050 -21.6641 -21.6641 -21.6246 -21.6246 -20.7547 -20.7547 -20.7316 -20.7316 -8.5184 -8.5184 -5.7299 -5.7299 -5.6344 -5.6344 -5.4550 -5.4550 -3.6071 -3.6071 -3.5201 -3.5201 -3.4104 -3.4104 -2.9957 -2.9957 -2.8772 -2.8772 -1.5289 -1.5289 -1.2893 -1.2893 -1.1424 -1.1424 -1.1015 -1.1015 -1.0572 -1.0572 -0.9521 -0.9521 -0.2557 -0.2557 -0.1468 -0.1468 -0.1078 -0.1078 8.9913 8.9913 11.6885 11.6885 13.0502 13.0502 13.5386 13.5386 13.7483 13.7483 k = 0.1779-0.1114-0.3013 ( 10601 PWs) bands (ev): -41.3769 -41.3769 -23.8977 -23.8977 -21.7089 -21.7089 -21.6660 -21.6660 -21.6238 -21.6238 -20.7562 -20.7562 -20.7325 -20.7325 -8.5049 -8.5049 -5.7279 -5.7279 -5.6281 -5.6281 -5.4419 -5.4419 -3.6050 -3.6050 -3.5080 -3.5080 -3.4034 -3.4034 -3.0024 -3.0024 -2.8852 -2.8852 -1.5577 -1.5577 -1.2960 -1.2960 -1.1481 -1.1481 -1.1110 -1.1110 -1.0698 -1.0698 -0.9528 -0.9528 -0.2534 -0.2534 -0.1515 -0.1515 -0.1108 -0.1108 9.0492 9.0492 11.6886 11.6886 13.0347 13.0347 13.5370 13.5370 13.7986 13.7986 k = 0.1856-0.1162-0.3144 ( 10597 PWs) bands (ev): -41.3769 -41.3769 -23.8938 -23.8938 -21.7127 -21.7127 -21.6679 -21.6679 -21.6231 -21.6231 -20.7574 -20.7574 -20.7335 -20.7335 -8.4913 -8.4913 -5.7257 -5.7257 -5.6218 -5.6218 -5.4291 -5.4291 -3.6029 -3.6029 -3.4970 -3.4970 -3.3968 -3.3968 -3.0078 -3.0078 -2.8933 -2.8933 -1.5849 -1.5849 -1.3035 -1.3035 -1.1536 -1.1536 -1.1208 -1.1208 -1.0828 -1.0828 -0.9531 -0.9531 -0.2513 -0.2513 -0.1562 -0.1562 -0.1140 -0.1140 9.1073 9.1073 11.6908 11.6908 13.0176 13.0176 13.5297 13.5297 13.8531 13.8531 k = 0.1934-0.1211-0.3275 ( 10595 PWs) bands (ev): -41.3769 -41.3769 -23.8899 -23.8899 -21.7163 -21.7163 -21.6698 -21.6698 -21.6226 -21.6226 -20.7586 -20.7586 -20.7345 -20.7345 -8.4776 -8.4776 -5.7234 -5.7234 -5.6155 -5.6155 -5.4168 -5.4168 -3.6009 -3.6009 -3.4874 -3.4874 -3.3900 -3.3900 -3.0120 -3.0120 -2.9015 -2.9015 -1.6101 -1.6101 -1.3118 -1.3118 -1.1592 -1.1592 -1.1306 -1.1306 -1.0960 -1.0960 -0.9531 -0.9531 -0.2492 -0.2492 -0.1609 -0.1609 -0.1172 -0.1172 9.1654 9.1654 11.6951 11.6951 12.9987 12.9987 13.5194 13.5194 13.9099 13.9099 k = 0.2011-0.1259-0.3406 ( 10591 PWs) bands (ev): -41.3769 -41.3769 -23.8860 -23.8860 -21.7197 -21.7197 -21.6718 -21.6718 -21.6223 -21.6223 -20.7596 -20.7596 -20.7356 -20.7356 -8.4639 -8.4639 -5.7209 -5.7209 -5.6091 -5.6091 -5.4050 -5.4050 -3.5990 -3.5990 -3.4794 -3.4794 -3.3826 -3.3826 -3.0154 -3.0154 -2.9101 -2.9101 -1.6328 -1.6328 -1.3211 -1.3211 -1.1656 -1.1656 -1.1399 -1.1399 -1.1095 -1.1095 -0.9528 -0.9528 -0.2473 -0.2473 -0.1656 -0.1656 -0.1207 -0.1207 9.2233 9.2233 11.7017 11.7017 12.9781 12.9781 13.5077 13.5077 13.9677 13.9677 k = 0.2088-0.1307-0.3537 ( 10591 PWs) bands (ev): -41.3769 -41.3769 -23.8822 -23.8822 -21.7229 -21.7229 -21.6739 -21.6739 -21.6221 -21.6221 -20.7604 -20.7604 -20.7368 -20.7368 -8.4503 -8.4503 -5.7181 -5.7181 -5.6026 -5.6026 -5.3940 -5.3940 -3.5973 -3.5973 -3.4728 -3.4728 -3.3745 -3.3745 -3.0179 -3.0179 -2.9191 -2.9191 -1.6524 -1.6524 -1.3313 -1.3313 -1.1735 -1.1735 -1.1479 -1.1479 -1.1230 -1.1230 -0.9523 -0.9523 -0.2455 -0.2455 -0.1703 -0.1703 -0.1243 -0.1243 9.2806 9.2806 11.7107 11.7107 12.9557 12.9557 13.4956 13.4956 14.0257 14.0257 k = 0.2166-0.1356-0.3669 ( 10595 PWs) bands (ev): -41.3769 -41.3769 -23.8785 -23.8785 -21.7258 -21.7258 -21.6759 -21.6759 -21.6221 -21.6221 -20.7610 -20.7610 -20.7380 -20.7380 -8.4368 -8.4368 -5.7152 -5.7152 -5.5961 -5.5961 -5.3838 -5.3838 -3.5959 -3.5959 -3.4676 -3.4676 -3.3656 -3.3656 -3.0197 -3.0197 -2.9287 -2.9287 -1.6687 -1.6687 -1.3424 -1.3424 -1.1833 -1.1833 -1.1547 -1.1547 -1.1364 -1.1364 -0.9517 -0.9517 -0.2438 -0.2438 -0.1750 -0.1750 -0.1280 -0.1280 9.3373 9.3373 11.7222 11.7222 12.9316 12.9316 13.4838 13.4838 14.0834 14.0834 k = 0.2243-0.1404-0.3800 ( 10595 PWs) bands (ev): -41.3769 -41.3769 -23.8749 -23.8749 -21.7284 -21.7284 -21.6780 -21.6780 -21.6223 -21.6223 -20.7615 -20.7615 -20.7392 -20.7392 -8.4235 -8.4235 -5.7121 -5.7121 -5.5895 -5.5895 -5.3747 -5.3747 -3.5947 -3.5947 -3.4631 -3.4631 -3.3562 -3.3562 -3.0210 -3.0210 -2.9392 -2.9392 -1.6813 -1.6813 -1.3544 -1.3544 -1.1947 -1.1947 -1.1617 -1.1617 -1.1483 -1.1483 -0.9509 -0.9509 -0.2422 -0.2422 -0.1796 -0.1796 -0.1318 -0.1318 9.3930 9.3930 11.7363 11.7363 12.9059 12.9059 13.4726 13.4726 14.1402 14.1402 k = 0.2321-0.1453-0.3931 ( 10601 PWs) bands (ev): -41.3769 -41.3769 -23.8714 -23.8714 -21.7307 -21.7307 -21.6801 -21.6801 -21.6227 -21.6227 -20.7619 -20.7619 -20.7405 -20.7405 -8.4103 -8.4103 -5.7088 -5.7088 -5.5829 -5.5829 -5.3666 -5.3666 -3.5937 -3.5937 -3.4590 -3.4590 -3.3467 -3.3467 -3.0218 -3.0218 -2.9505 -2.9505 -1.6901 -1.6901 -1.3671 -1.3671 -1.2071 -1.2071 -1.1721 -1.1721 -1.1562 -1.1562 -0.9500 -0.9500 -0.2407 -0.2407 -0.1842 -0.1842 -0.1357 -0.1357 9.4476 9.4476 11.7530 11.7530 12.8787 12.8787 13.4623 13.4623 14.1955 14.1955 k = 0.2398-0.1501-0.4062 ( 10609 PWs) bands (ev): -41.3769 -41.3769 -23.8680 -23.8680 -21.7327 -21.7327 -21.6823 -21.6823 -21.6233 -21.6233 -20.7622 -20.7622 -20.7417 -20.7417 -8.3974 -8.3974 -5.7053 -5.7053 -5.5762 -5.5762 -5.3598 -5.3598 -3.5931 -3.5931 -3.4547 -3.4547 -3.3373 -3.3373 -3.0224 -3.0224 -2.9624 -2.9624 -1.6951 -1.6951 -1.3806 -1.3806 -1.2203 -1.2203 -1.1855 -1.1855 -1.1608 -1.1608 -0.9491 -0.9491 -0.2393 -0.2393 -0.1885 -0.1885 -0.1398 -0.1398 9.5008 9.5008 11.7724 11.7724 12.8502 12.8502 13.4531 13.4531 14.2490 14.2490 k = 0.2475-0.1550-0.4193 ( 10615 PWs) bands (ev): -41.3769 -41.3769 -23.8647 -23.8647 -21.7343 -21.7343 -21.6844 -21.6844 -21.6241 -21.6241 -20.7624 -20.7624 -20.7428 -20.7428 -8.3848 -8.3848 -5.7016 -5.7016 -5.5694 -5.5694 -5.3544 -5.3544 -3.5926 -3.5926 -3.4501 -3.4501 -3.3285 -3.3285 -3.0235 -3.0235 -2.9739 -2.9739 -1.6962 -1.6962 -1.3948 -1.3948 -1.2338 -1.2338 -1.2001 -1.2001 -1.1641 -1.1641 -0.9482 -0.9482 -0.2380 -0.2380 -0.1928 -0.1928 -0.1439 -0.1439 9.5525 9.5525 11.7945 11.7945 12.8205 12.8205 13.4449 13.4449 14.3000 14.3000 k = 0.2553-0.1598-0.4324 ( 10607 PWs) bands (ev): -41.3769 -41.3769 -23.8616 -23.8616 -21.7357 -21.7357 -21.6865 -21.6865 -21.6251 -21.6251 -20.7626 -20.7626 -20.7438 -20.7438 -8.3726 -8.3726 -5.6978 -5.6978 -5.5625 -5.5625 -5.3503 -5.3503 -3.5923 -3.5923 -3.4449 -3.4449 -3.3204 -3.3204 -3.0270 -3.0270 -2.9832 -2.9832 -1.6937 -1.6937 -1.4098 -1.4098 -1.2476 -1.2476 -1.2151 -1.2151 -1.1670 -1.1670 -0.9473 -0.9473 -0.2369 -0.2369 -0.1967 -0.1967 -0.1480 -0.1480 9.6024 9.6024 11.8194 11.8194 12.7899 12.7899 13.4379 13.4379 14.3481 14.3481 k = 0.2630-0.1646-0.4455 ( 10599 PWs) bands (ev): -41.3769 -41.3769 -23.8587 -23.8587 -21.7366 -21.7366 -21.6887 -21.6887 -21.6263 -21.6263 -20.7629 -20.7629 -20.7445 -20.7445 -8.3606 -8.3606 -5.6938 -5.6938 -5.5556 -5.5556 -5.3476 -5.3476 -3.5921 -3.5921 -3.4392 -3.4392 -3.3133 -3.3133 -3.0352 -3.0352 -2.9873 -2.9873 -1.6877 -1.6877 -1.4255 -1.4255 -1.2615 -1.2615 -1.2301 -1.2301 -1.1697 -1.1697 -0.9464 -0.9464 -0.2361 -0.2361 -0.2004 -0.2004 -0.1522 -0.1522 9.6505 9.6505 11.8471 11.8471 12.7586 12.7586 13.4319 13.4319 14.3925 14.3925 k = 0.2707-0.1695-0.4586 ( 10613 PWs) bands (ev): -41.3769 -41.3769 -23.8559 -23.8559 -21.7373 -21.7373 -21.6908 -21.6908 -21.6277 -21.6277 -20.7633 -20.7633 -20.7450 -20.7450 -8.3491 -8.3491 -5.6896 -5.6896 -5.5487 -5.5487 -5.3464 -5.3464 -3.5921 -3.5921 -3.4329 -3.4329 -3.3073 -3.3073 -3.0481 -3.0481 -2.9860 -2.9860 -1.6787 -1.6787 -1.4419 -1.4419 -1.2757 -1.2757 -1.2448 -1.2448 -1.1724 -1.1724 -0.9457 -0.9457 -0.2357 -0.2357 -0.2035 -0.2035 -0.1563 -0.1563 9.6965 9.6965 11.8776 11.8776 12.7266 12.7266 13.4268 13.4268 14.4323 14.4323 k = 0.2785-0.1743-0.4717 ( 10607 PWs) bands (ev): -41.3769 -41.3769 -23.8533 -23.8533 -21.7376 -21.7376 -21.6929 -21.6929 -21.6293 -21.6293 -20.7641 -20.7641 -20.7451 -20.7451 -8.3380 -8.3380 -5.6852 -5.6852 -5.5417 -5.5417 -5.3465 -5.3465 -3.5921 -3.5921 -3.4262 -3.4262 -3.3026 -3.3026 -3.0635 -3.0635 -2.9809 -2.9809 -1.6670 -1.6670 -1.4591 -1.4591 -1.2901 -1.2901 -1.2590 -1.2590 -1.1751 -1.1751 -0.9450 -0.9450 -0.2359 -0.2359 -0.2062 -0.2062 -0.1603 -0.1603 9.7405 9.7405 11.9108 11.9108 12.6943 12.6943 13.4227 13.4227 14.4659 14.4659 k = 0.2862-0.1792-0.4848 ( 10597 PWs) bands (ev): -41.3769 -41.3769 -23.8508 -23.8508 -21.7375 -21.7375 -21.6950 -21.6950 -21.6310 -21.6310 -20.7651 -20.7651 -20.7447 -20.7447 -8.3274 -8.3274 -5.6807 -5.6807 -5.5346 -5.5346 -5.3481 -5.3481 -3.5923 -3.5923 -3.4192 -3.4192 -3.2993 -3.2993 -3.0792 -3.0792 -2.9734 -2.9734 -1.6533 -1.6533 -1.4770 -1.4770 -1.3051 -1.3051 -1.2720 -1.2720 -1.1779 -1.1779 -0.9443 -0.9443 -0.2368 -0.2368 -0.2081 -0.2081 -0.1640 -0.1640 9.7822 9.7822 11.9466 11.9466 12.6617 12.6617 13.4194 13.4194 14.4879 14.4879 k = 0.2939-0.1840-0.4979 ( 10605 PWs) bands (ev): -41.3769 -41.3769 -23.8485 -23.8485 -21.7371 -21.7371 -21.6971 -21.6971 -21.6329 -21.6329 -20.7664 -20.7664 -20.7439 -20.7439 -8.3173 -8.3173 -5.6761 -5.6761 -5.5275 -5.5275 -5.3511 -5.3511 -3.5928 -3.5928 -3.4125 -3.4125 -3.2975 -3.2975 -3.0938 -3.0938 -2.9641 -2.9641 -1.6381 -1.6381 -1.4955 -1.4955 -1.3207 -1.3207 -1.2834 -1.2834 -1.1807 -1.1807 -0.9438 -0.9438 -0.2386 -0.2386 -0.2095 -0.2095 -0.1674 -0.1674 9.8217 9.8217 11.9850 11.9850 12.6291 12.6291 13.4169 13.4169 14.4798 14.4798 k = 0.3017-0.1888-0.5110 ( 10609 PWs) bands (ev): -41.3769 -41.3769 -23.8464 -23.8464 -21.7364 -21.7364 -21.6992 -21.6992 -21.6349 -21.6349 -20.7680 -20.7680 -20.7427 -20.7427 -8.3076 -8.3076 -5.6714 -5.6714 -5.5204 -5.5204 -5.3553 -5.3553 -3.5938 -3.5938 -3.4066 -3.4066 -3.2971 -3.2971 -3.1058 -3.1058 -2.9535 -2.9535 -1.6224 -1.6224 -1.5145 -1.5145 -1.3370 -1.3370 -1.2928 -1.2928 -1.1836 -1.1836 -0.9434 -0.9434 -0.2411 -0.2411 -0.2105 -0.2105 -0.1702 -0.1702 9.8590 9.8590 12.0258 12.0258 12.5966 12.5966 13.4150 13.4150 14.4363 14.4363 k = 0.3094-0.1937-0.5241 ( 10601 PWs) bands (ev): -41.3769 -41.3769 -23.8445 -23.8445 -21.7354 -21.7354 -21.7012 -21.7012 -21.6371 -21.6371 -20.7699 -20.7699 -20.7412 -20.7412 -8.2985 -8.2985 -5.6666 -5.6666 -5.5133 -5.5133 -5.3607 -5.3607 -3.5953 -3.5953 -3.4026 -3.4026 -3.2975 -3.2975 -3.1142 -3.1142 -2.9419 -2.9419 -1.6072 -1.6072 -1.5335 -1.5335 -1.3541 -1.3541 -1.2997 -1.2997 -1.1865 -1.1865 -0.9430 -0.9430 -0.2441 -0.2441 -0.2116 -0.2116 -0.1721 -0.1721 9.8939 9.8939 12.0689 12.0689 12.5644 12.5644 13.4138 13.4138 14.3827 14.3827 k = 0.3171-0.1985-0.5372 ( 10605 PWs) bands (ev): -41.3769 -41.3769 -23.8427 -23.8427 -21.7340 -21.7340 -21.7032 -21.7032 -21.6393 -21.6393 -20.7719 -20.7719 -20.7394 -20.7394 -8.2898 -8.2898 -5.6618 -5.6618 -5.5062 -5.5062 -5.3671 -5.3671 -3.5975 -3.5975 -3.4022 -3.4022 -3.2973 -3.2973 -3.1182 -3.1182 -2.9295 -2.9295 -1.5955 -1.5955 -1.5504 -1.5504 -1.3718 -1.3718 -1.3040 -1.3040 -1.1893 -1.1893 -0.9426 -0.9426 -0.2476 -0.2476 -0.2131 -0.2131 -0.1730 -0.1730 9.9266 9.9266 12.1139 12.1139 12.5326 12.5326 13.4132 13.4132 14.3280 14.3280 k = 0.3249-0.2034-0.5503 ( 10599 PWs) bands (ev): -41.3769 -41.3769 -23.8411 -23.8411 -21.7324 -21.7324 -21.7051 -21.7051 -21.6417 -21.6417 -20.7740 -20.7740 -20.7374 -20.7374 -8.2818 -8.2818 -5.6569 -5.6569 -5.4991 -5.4991 -5.3746 -5.3746 -3.6004 -3.6004 -3.4068 -3.4068 -3.2946 -3.2946 -3.1178 -3.1178 -2.9166 -2.9166 -1.5956 -1.5956 -1.5576 -1.5576 -1.3898 -1.3898 -1.3052 -1.3052 -1.1920 -1.1920 -0.9424 -0.9424 -0.2515 -0.2515 -0.2152 -0.2152 -0.1728 -0.1728 9.9571 9.9571 12.1607 12.1607 12.5015 12.5015 13.4130 13.4130 14.2744 14.2744 k = 0.3326-0.2082-0.5634 ( 10597 PWs) bands (ev): -41.3769 -41.3769 -23.8397 -23.8397 -21.7306 -21.7306 -21.7070 -21.7070 -21.6442 -21.6442 -20.7763 -20.7763 -20.7352 -20.7352 -8.2742 -8.2742 -5.6519 -5.6519 -5.4920 -5.4920 -5.3828 -5.3828 -3.6043 -3.6043 -3.4170 -3.4170 -3.2881 -3.2881 -3.1133 -3.1133 -2.9033 -2.9033 -1.6112 -1.6112 -1.5522 -1.5522 -1.4082 -1.4082 -1.3032 -1.3032 -1.1943 -1.1943 -0.9422 -0.9422 -0.2555 -0.2555 -0.2180 -0.2180 -0.1715 -0.1715 9.9855 9.9855 12.2088 12.2088 12.4714 12.4714 13.4132 13.4132 14.2226 14.2226 k = 0.3403-0.2131-0.5765 ( 10595 PWs) bands (ev): -41.3769 -41.3769 -23.8384 -23.8384 -21.7285 -21.7285 -21.7088 -21.7088 -21.6467 -21.6467 -20.7787 -20.7787 -20.7328 -20.7328 -8.2672 -8.2672 -5.6470 -5.6470 -5.4850 -5.4850 -5.3917 -5.3917 -3.6089 -3.6089 -3.4322 -3.4322 -3.2779 -3.2779 -3.1052 -3.1052 -2.8898 -2.8898 -1.6325 -1.6325 -1.5446 -1.5446 -1.4266 -1.4266 -1.2979 -1.2979 -1.1961 -1.1961 -0.9419 -0.9419 -0.2596 -0.2596 -0.2213 -0.2213 -0.1693 -0.1693 10.0118 10.0118 12.2573 12.2573 12.4431 12.4431 13.4138 13.4138 14.1728 14.1728 k = 0.3481-0.2179-0.5896 ( 10583 PWs) bands (ev): -41.3769 -41.3769 -23.8373 -23.8373 -21.7263 -21.7263 -21.7106 -21.7106 -21.6492 -21.6492 -20.7811 -20.7811 -20.7304 -20.7304 -8.2607 -8.2607 -5.6421 -5.6421 -5.4781 -5.4781 -5.4011 -5.4011 -3.6145 -3.6145 -3.4507 -3.4507 -3.2647 -3.2647 -3.0942 -3.0942 -2.8762 -2.8762 -1.6557 -1.6557 -1.5389 -1.5389 -1.4450 -1.4450 -1.2898 -1.2898 -1.1970 -1.1970 -0.9418 -0.9418 -0.2638 -0.2638 -0.2252 -0.2252 -0.1663 -0.1663 10.0361 10.0361 12.3038 12.3038 12.4189 12.4189 13.4147 13.4147 14.1254 14.1254 k = 0.3558-0.2227-0.6027 ( 10583 PWs) bands (ev): -41.3769 -41.3769 -23.8363 -23.8363 -21.7240 -21.7240 -21.7122 -21.7122 -21.6518 -21.6518 -20.7835 -20.7835 -20.7278 -20.7278 -8.2547 -8.2547 -5.6373 -5.6373 -5.4713 -5.4713 -5.4108 -5.4108 -3.6209 -3.6209 -3.4714 -3.4714 -3.2492 -3.2492 -3.0809 -3.0809 -2.8627 -2.8627 -1.6799 -1.6799 -1.5361 -1.5361 -1.4628 -1.4628 -1.2798 -1.2798 -1.1961 -1.1961 -0.9416 -0.9416 -0.2681 -0.2681 -0.2293 -0.2293 -0.1628 -0.1628 10.0584 10.0584 12.3363 12.3363 12.4106 12.4106 13.4159 13.4159 14.0804 14.0804 k = 0.3636-0.2276-0.6158 ( 10583 PWs) bands (ev): -41.3769 -41.3769 -23.8355 -23.8355 -21.7216 -21.7216 -21.7135 -21.7135 -21.6544 -21.6544 -20.7860 -20.7860 -20.7253 -20.7253 -8.2492 -8.2492 -5.6325 -5.6325 -5.4648 -5.4648 -5.4207 -5.4207 -3.6280 -3.6280 -3.4930 -3.4930 -3.2320 -3.2320 -3.0656 -3.0656 -2.8492 -2.8492 -1.7047 -1.7047 -1.5367 -1.5367 -1.4796 -1.4796 -1.2698 -1.2698 -1.1925 -1.1925 -0.9414 -0.9414 -0.2724 -0.2724 -0.2337 -0.2337 -0.1590 -0.1590 10.0790 10.0790 12.3332 12.3332 12.4397 12.4397 13.4172 13.4172 14.0378 14.0378 k = 0.3713-0.2324-0.6289 ( 10591 PWs) bands (ev): -41.3769 -41.3769 -23.8348 -23.8348 -21.7197 -21.7197 -21.7143 -21.7143 -21.6569 -21.6569 -20.7884 -20.7884 -20.7227 -20.7227 -8.2442 -8.2442 -5.6278 -5.6278 -5.4587 -5.4587 -5.4303 -5.4303 -3.6359 -3.6359 -3.5149 -3.5149 -3.2137 -3.2137 -3.0488 -3.0488 -2.8360 -2.8360 -1.7300 -1.7300 -1.5412 -1.5412 -1.4943 -1.4943 -1.2615 -1.2615 -1.1848 -1.1848 -0.9411 -0.9411 -0.2767 -0.2767 -0.2381 -0.2381 -0.1548 -0.1548 10.0979 10.0979 12.3127 12.3127 12.4878 12.4878 13.4187 13.4187 13.9978 13.9978 k = 0.6287 0.0445-0.4360 ( 10591 PWs) bands (ev): -41.3769 -41.3769 -23.8348 -23.8348 -21.7197 -21.7197 -21.7145 -21.7145 -21.6567 -21.6567 -20.7885 -20.7885 -20.7225 -20.7225 -8.2442 -8.2442 -5.6277 -5.6277 -5.4589 -5.4589 -5.4302 -5.4302 -3.6359 -3.6359 -3.5149 -3.5149 -3.2137 -3.2137 -3.0489 -3.0489 -2.8359 -2.8359 -1.7300 -1.7300 -1.5413 -1.5413 -1.4945 -1.4945 -1.2614 -1.2614 -1.1848 -1.1848 -0.9410 -0.9410 -0.2768 -0.2768 -0.2382 -0.2382 -0.1547 -0.1547 10.0978 10.0978 12.3127 12.3127 12.4878 12.4878 13.4188 13.4188 13.9979 13.9979 k = 0.6211 0.0581-0.4360 ( 10593 PWs) bands (ev): -41.3769 -41.3769 -23.8342 -23.8342 -21.7193 -21.7193 -21.7136 -21.7136 -21.6592 -21.6592 -20.7909 -20.7909 -20.7200 -20.7200 -8.2398 -8.2398 -5.6233 -5.6233 -5.4547 -5.4547 -5.4381 -5.4381 -3.6443 -3.6443 -3.5360 -3.5360 -3.1950 -3.1950 -3.0313 -3.0313 -2.8231 -2.8231 -1.7551 -1.7551 -1.5501 -1.5501 -1.5058 -1.5058 -1.2562 -1.2562 -1.1728 -1.1728 -0.9407 -0.9407 -0.2810 -0.2810 -0.2425 -0.2425 -0.1505 -0.1505 10.1147 10.1147 12.2898 12.2898 12.5391 12.5391 13.4204 13.4204 13.9612 13.9612 k = 0.6136 0.0718-0.4360 ( 10589 PWs) bands (ev): -41.3769 -41.3769 -23.8337 -23.8337 -21.7201 -21.7201 -21.7114 -21.7114 -21.6616 -21.6616 -20.7933 -20.7933 -20.7175 -20.7175 -8.2358 -8.2358 -5.6191 -5.6191 -5.4566 -5.4566 -5.4398 -5.4398 -3.6534 -3.6534 -3.5562 -3.5562 -3.1758 -3.1758 -3.0128 -3.0128 -2.8107 -2.8107 -1.7803 -1.7803 -1.5629 -1.5629 -1.5139 -1.5139 -1.2539 -1.2539 -1.1571 -1.1571 -0.9405 -0.9405 -0.2851 -0.2851 -0.2469 -0.2469 -0.1463 -0.1463 10.1301 10.1301 12.2667 12.2667 12.5918 12.5918 13.4221 13.4221 13.9269 13.9269 k = 0.6060 0.0855-0.4360 ( 10593 PWs) bands (ev): -41.3769 -41.3769 -23.8333 -23.8333 -21.7212 -21.7212 -21.7088 -21.7088 -21.6639 -21.6639 -20.7955 -20.7955 -20.7151 -20.7151 -8.2322 -8.2322 -5.6150 -5.6150 -5.4642 -5.4642 -5.4359 -5.4359 -3.6632 -3.6632 -3.5752 -3.5752 -3.1565 -3.1565 -2.9936 -2.9936 -2.7986 -2.7986 -1.8055 -1.8055 -1.5782 -1.5782 -1.5199 -1.5199 -1.2535 -1.2535 -1.1390 -1.1390 -0.9401 -0.9401 -0.2891 -0.2891 -0.2512 -0.2512 -0.1421 -0.1421 10.1442 10.1442 12.2443 12.2443 12.6448 12.6448 13.4238 13.4238 13.8951 13.8951 k = 0.5984 0.0991-0.4360 ( 10603 PWs) bands (ev): -41.3769 -41.3769 -23.8330 -23.8330 -21.7224 -21.7224 -21.7061 -21.7061 -21.6662 -21.6662 -20.7977 -20.7977 -20.7127 -20.7127 -8.2290 -8.2290 -5.6111 -5.6111 -5.4731 -5.4731 -5.4306 -5.4306 -3.6736 -3.6736 -3.5927 -3.5927 -3.1372 -3.1372 -2.9741 -2.9741 -2.7869 -2.7869 -1.8306 -1.8306 -1.5946 -1.5946 -1.5249 -1.5249 -1.2543 -1.2543 -1.1196 -1.1196 -0.9398 -0.9398 -0.2931 -0.2931 -0.2553 -0.2553 -0.1379 -0.1379 10.1569 10.1569 12.2229 12.2229 12.6976 12.6976 13.4255 13.4255 13.8656 13.8656 k = 0.5909 0.1128-0.4360 ( 10603 PWs) bands (ev): -41.3769 -41.3769 -23.8327 -23.8327 -21.7235 -21.7235 -21.7034 -21.7034 -21.6683 -21.6683 -20.7999 -20.7999 -20.7104 -20.7104 -8.2262 -8.2262 -5.6075 -5.6075 -5.4819 -5.4819 -5.4253 -5.4253 -3.6847 -3.6847 -3.6083 -3.6083 -3.1183 -3.1183 -2.9543 -2.9543 -2.7756 -2.7756 -1.8553 -1.8553 -1.6113 -1.6113 -1.5293 -1.5293 -1.2558 -1.2558 -1.0998 -1.0998 -0.9394 -0.9394 -0.2969 -0.2969 -0.2593 -0.2593 -0.1339 -0.1339 10.1684 10.1684 12.2027 12.2027 12.7498 12.7498 13.4272 13.4272 13.8386 13.8386 k = 0.5833 0.1265-0.4360 ( 10587 PWs) bands (ev): -41.3769 -41.3769 -23.8325 -23.8325 -21.7246 -21.7246 -21.7008 -21.7008 -21.6703 -21.6703 -20.8019 -20.8019 -20.7083 -20.7083 -8.2237 -8.2237 -5.6042 -5.6042 -5.4903 -5.4903 -5.4200 -5.4200 -3.6963 -3.6963 -3.6221 -3.6221 -3.1000 -3.1000 -2.9345 -2.9345 -2.7648 -2.7648 -1.8795 -1.8795 -1.6280 -1.6280 -1.5333 -1.5333 -1.2577 -1.2577 -1.0803 -1.0803 -0.9389 -0.9389 -0.3006 -0.3006 -0.2632 -0.2632 -0.1301 -0.1301 10.1787 10.1787 12.1837 12.1837 12.8010 12.8010 13.4289 13.4289 13.8138 13.8138 k = 0.5757 0.1402-0.4360 ( 10589 PWs) bands (ev): -41.3769 -41.3769 -23.8324 -23.8324 -21.7256 -21.7256 -21.6983 -21.6983 -21.6722 -21.6722 -20.8038 -20.8038 -20.7062 -20.7062 -8.2215 -8.2215 -5.6011 -5.6011 -5.4982 -5.4982 -5.4150 -5.4150 -3.7081 -3.7081 -3.6341 -3.6341 -3.0824 -3.0824 -2.9150 -2.9150 -2.7545 -2.7545 -1.9031 -1.9031 -1.6441 -1.6441 -1.5369 -1.5369 -1.2597 -1.2597 -1.0614 -1.0614 -0.9384 -0.9384 -0.3041 -0.3041 -0.2668 -0.2668 -0.1265 -0.1265 10.1879 10.1879 12.1662 12.1662 12.8509 12.8509 13.4306 13.4306 13.7913 13.7913 k = 0.5681 0.1538-0.4360 ( 10579 PWs) bands (ev): -41.3769 -41.3769 -23.8323 -23.8323 -21.7265 -21.7265 -21.6959 -21.6959 -21.6740 -21.6740 -20.8056 -20.8056 -20.7043 -20.7043 -8.2196 -8.2196 -5.5984 -5.5984 -5.5056 -5.5056 -5.4103 -5.4103 -3.7198 -3.7198 -3.6444 -3.6444 -3.0659 -3.0659 -2.8961 -2.8961 -2.7448 -2.7448 -1.9257 -1.9257 -1.6596 -1.6596 -1.5403 -1.5403 -1.2618 -1.2618 -1.0436 -1.0436 -0.9379 -0.9379 -0.3074 -0.3074 -0.2701 -0.2701 -0.1231 -0.1231 10.1961 10.1961 12.1501 12.1501 12.8991 12.8991 13.4322 13.4322 13.7709 13.7709 k = 0.5606 0.1675-0.4360 ( 10579 PWs) bands (ev): -41.3769 -41.3769 -23.8323 -23.8323 -21.7273 -21.7273 -21.6936 -21.6936 -21.6756 -21.6756 -20.8072 -20.8072 -20.7026 -20.7026 -8.2180 -8.2180 -5.5960 -5.5960 -5.5122 -5.5122 -5.4060 -5.4060 -3.7311 -3.7311 -3.6531 -3.6531 -3.0506 -3.0506 -2.8779 -2.8779 -2.7358 -2.7358 -1.9471 -1.9471 -1.6741 -1.6741 -1.5434 -1.5434 -1.2637 -1.2637 -1.0271 -1.0271 -0.9372 -0.9372 -0.3105 -0.3105 -0.2732 -0.2732 -0.1200 -0.1200 10.2033 10.2033 12.1355 12.1355 12.9451 12.9451 13.4337 13.4337 13.7527 13.7527 k = 0.5530 0.1812-0.4360 ( 10569 PWs) bands (ev): -41.3769 -41.3769 -23.8322 -23.8322 -21.7281 -21.7281 -21.6916 -21.6916 -21.6770 -21.6770 -20.8086 -20.8086 -20.7011 -20.7011 -8.2167 -8.2167 -5.5939 -5.5939 -5.5181 -5.5181 -5.4021 -5.4021 -3.7417 -3.7417 -3.6606 -3.6606 -3.0366 -3.0366 -2.8608 -2.8608 -2.7274 -2.7274 -1.9671 -1.9671 -1.6875 -1.6875 -1.5462 -1.5462 -1.2656 -1.2656 -1.0122 -1.0122 -0.9365 -0.9365 -0.3133 -0.3133 -0.2760 -0.2760 -0.1172 -0.1172 10.2096 10.2096 12.1225 12.1225 12.9884 12.9884 13.4352 13.4352 13.7366 13.7366 k = 0.5454 0.1949-0.4360 ( 10557 PWs) bands (ev): -41.3769 -41.3769 -23.8322 -23.8322 -21.7287 -21.7287 -21.6899 -21.6899 -21.6782 -21.6782 -20.8099 -20.8099 -20.6997 -20.6997 -8.2155 -8.2155 -5.5922 -5.5922 -5.5232 -5.5232 -5.3986 -5.3986 -3.7513 -3.7513 -3.6668 -3.6668 -3.0242 -3.0242 -2.8450 -2.8450 -2.7199 -2.7199 -1.9854 -1.9854 -1.6996 -1.6996 -1.5486 -1.5486 -1.2673 -1.2673 -0.9991 -0.9991 -0.9357 -0.9357 -0.3158 -0.3158 -0.2785 -0.2785 -0.1148 -0.1148 10.2149 10.2149 12.1112 12.1112 13.0285 13.0285 13.4366 13.4366 13.7225 13.7225 k = 0.5379 0.2085-0.4360 ( 10569 PWs) bands (ev): -41.3769 -41.3769 -23.8322 -23.8322 -21.7293 -21.7293 -21.6884 -21.6884 -21.6791 -21.6791 -20.8111 -20.8111 -20.6985 -20.6985 -8.2146 -8.2146 -5.5908 -5.5908 -5.5276 -5.5276 -5.3956 -5.3956 -3.7598 -3.7598 -3.6720 -3.6720 -3.0135 -3.0135 -2.8310 -2.8310 -2.7133 -2.7133 -2.0015 -2.0015 -1.7102 -1.7102 -1.5507 -1.5507 -1.2687 -1.2687 -0.9879 -0.9879 -0.9347 -0.9347 -0.3180 -0.3180 -0.2806 -0.2806 -0.1127 -0.1127 10.2194 10.2194 12.1015 12.1015 13.0645 13.0645 13.4380 13.4380 13.7103 13.7103 k = 0.5303 0.2222-0.4360 ( 10555 PWs) bands (ev): -41.3769 -41.3769 -23.8322 -23.8322 -21.7297 -21.7297 -21.6872 -21.6872 -21.6799 -21.6799 -20.8120 -20.8120 -20.6975 -20.6975 -8.2139 -8.2139 -5.5898 -5.5898 -5.5310 -5.5310 -5.3931 -5.3931 -3.7668 -3.7668 -3.6762 -3.6762 -3.0046 -3.0046 -2.8189 -2.8189 -2.7076 -2.7076 -2.0153 -2.0153 -1.7192 -1.7192 -1.5524 -1.5524 -1.2700 -1.2700 -0.9789 -0.9789 -0.9337 -0.9337 -0.3199 -0.3199 -0.2824 -0.2824 -0.1109 -0.1109 10.2230 10.2230 12.0935 12.0935 13.0957 13.0957 13.4392 13.4392 13.7001 13.7001 k = 0.5227 0.2359-0.4360 ( 10554 PWs) bands (ev): -41.3769 -41.3769 -23.8322 -23.8322 -21.7301 -21.7301 -21.6863 -21.6863 -21.6804 -21.6804 -20.8127 -20.8127 -20.6968 -20.6968 -8.2133 -8.2133 -5.5890 -5.5890 -5.5337 -5.5337 -5.3912 -5.3912 -3.7724 -3.7724 -3.6794 -3.6794 -2.9976 -2.9976 -2.8092 -2.8092 -2.7031 -2.7031 -2.0265 -2.0265 -1.7263 -1.7263 -1.5538 -1.5538 -1.2709 -1.2709 -0.9721 -0.9721 -0.9325 -0.9325 -0.3213 -0.3213 -0.2838 -0.2838 -0.1096 -0.1096 10.2258 10.2258 12.0873 12.0873 13.1213 13.1213 13.4404 13.4404 13.6920 13.6920 k = 0.5151 0.2495-0.4360 ( 10552 PWs) bands (ev): -41.3768 -41.3768 -23.8322 -23.8322 -21.7304 -21.7304 -21.6857 -21.6857 -21.6807 -21.6807 -20.8132 -20.8132 -20.6962 -20.6962 -8.2129 -8.2129 -5.5885 -5.5885 -5.5356 -5.5356 -5.3897 -5.3897 -3.7765 -3.7765 -3.6816 -3.6816 -2.9925 -2.9925 -2.8020 -2.8020 -2.6999 -2.6999 -2.0346 -2.0346 -1.7315 -1.7315 -1.5548 -1.5548 -1.2716 -1.2716 -0.9673 -0.9673 -0.9315 -0.9315 -0.3224 -0.3224 -0.2848 -0.2848 -0.1086 -0.1086 10.2278 10.2278 12.0828 12.0828 13.1404 13.1404 13.4413 13.4413 13.6860 13.6860 k = 0.5076 0.2632-0.4360 ( 10562 PWs) bands (ev): -41.3769 -41.3769 -23.8322 -23.8322 -21.7305 -21.7305 -21.6854 -21.6854 -21.6809 -21.6809 -20.8136 -20.8136 -20.6959 -20.6959 -8.2127 -8.2127 -5.5883 -5.5883 -5.5367 -5.5367 -5.3889 -5.3889 -3.7789 -3.7789 -3.6830 -3.6830 -2.9894 -2.9894 -2.7976 -2.7976 -2.6979 -2.6979 -2.0396 -2.0396 -1.7346 -1.7346 -1.5553 -1.5553 -1.2721 -1.2721 -0.9646 -0.9646 -0.9308 -0.9308 -0.3231 -0.3231 -0.2854 -0.2854 -0.1080 -0.1080 10.2290 10.2290 12.0802 12.0802 13.1522 13.1522 13.4419 13.4419 13.6823 13.6823 k = 0.5000 0.2769-0.4360 ( 10566 PWs) bands (ev): -41.3769 -41.3769 -23.8323 -23.8323 -21.7306 -21.7306 -21.6853 -21.6853 -21.6809 -21.6809 -20.8137 -20.8137 -20.6958 -20.6958 -8.2126 -8.2126 -5.5882 -5.5882 -5.5370 -5.5370 -5.3886 -5.3886 -3.7798 -3.7798 -3.6834 -3.6834 -2.9884 -2.9884 -2.7961 -2.7961 -2.6972 -2.6972 -2.0413 -2.0413 -1.7357 -1.7357 -1.5555 -1.5555 -1.2722 -1.2722 -0.9637 -0.9637 -0.9305 -0.9305 -0.3233 -0.3233 -0.2856 -0.2856 -0.1078 -0.1078 10.2294 10.2294 12.0793 12.0793 13.1562 13.1562 13.4422 13.4422 13.6810 13.6810 k = 0.5000 0.2769-0.4360 ( 10566 PWs) bands (ev): -41.3769 -41.3769 -23.8323 -23.8323 -21.7306 -21.7306 -21.6853 -21.6853 -21.6809 -21.6809 -20.8137 -20.8137 -20.6958 -20.6958 -8.2126 -8.2126 -5.5882 -5.5882 -5.5370 -5.5370 -5.3886 -5.3886 -3.7798 -3.7798 -3.6834 -3.6834 -2.9884 -2.9884 -2.7961 -2.7961 -2.6972 -2.6972 -2.0413 -2.0413 -1.7357 -1.7357 -1.5555 -1.5555 -1.2722 -1.2722 -0.9637 -0.9637 -0.9305 -0.9305 -0.3233 -0.3233 -0.2856 -0.2856 -0.1078 -0.1078 10.2294 10.2294 12.0793 12.0793 13.1562 13.1562 13.4422 13.4422 13.6810 13.6810 k = 0.5086 0.2816-0.4232 ( 10567 PWs) bands (ev): -41.3769 -41.3769 -23.8323 -23.8323 -21.7305 -21.7305 -21.6853 -21.6853 -21.6810 -21.6810 -20.8135 -20.8135 -20.6959 -20.6959 -8.2127 -8.2127 -5.5877 -5.5877 -5.5373 -5.5373 -5.3888 -5.3888 -3.7791 -3.7791 -3.6827 -3.6827 -2.9895 -2.9895 -2.7966 -2.7966 -2.6988 -2.6988 -2.0396 -2.0396 -1.7351 -1.7351 -1.5549 -1.5549 -1.2722 -1.2722 -0.9640 -0.9640 -0.9315 -0.9315 -0.3231 -0.3231 -0.2855 -0.2855 -0.1080 -0.1080 10.2293 10.2293 12.0804 12.0804 13.1569 13.1569 13.4266 13.4266 13.6939 13.6939 k = 0.5172 0.2864-0.4103 ( 10570 PWs) bands (ev): -41.3769 -41.3769 -23.8323 -23.8323 -21.7303 -21.7303 -21.6852 -21.6852 -21.6812 -21.6812 -20.8131 -20.8131 -20.6963 -20.6963 -8.2129 -8.2129 -5.5864 -5.5864 -5.5379 -5.5379 -5.3893 -5.3893 -3.7773 -3.7773 -3.6803 -3.6803 -2.9929 -2.9929 -2.7981 -2.7981 -2.7036 -2.7036 -2.0344 -2.0344 -1.7334 -1.7334 -1.5529 -1.5529 -1.2721 -1.2721 -0.9650 -0.9650 -0.9345 -0.9345 -0.3227 -0.3227 -0.2854 -0.2854 -0.1085 -0.1085 10.2289 10.2289 12.0838 12.0838 13.1587 13.1587 13.3877 13.3877 13.7240 13.7240 k = 0.5257 0.2911-0.3975 ( 10577 PWs) bands (ev): -41.3769 -41.3769 -23.8324 -23.8324 -21.7301 -21.7301 -21.6853 -21.6853 -21.6814 -21.6814 -20.8125 -20.8125 -20.6969 -20.6969 -8.2132 -8.2132 -5.5843 -5.5843 -5.5390 -5.5390 -5.3901 -5.3901 -3.7742 -3.7742 -3.6764 -3.6764 -2.9983 -2.9983 -2.8005 -2.8005 -2.7116 -2.7116 -2.0260 -2.0260 -1.7306 -1.7306 -1.5497 -1.5497 -1.2719 -1.2719 -0.9672 -0.9672 -0.9389 -0.9389 -0.3220 -0.3220 -0.2851 -0.2851 -0.1095 -0.1095 10.2282 10.2282 12.0895 12.0895 13.1615 13.1615 13.3375 13.3375 13.7585 13.7585 k = 0.5343 0.2959-0.3846 ( 10577 PWs) bands (ev): -41.3769 -41.3769 -23.8325 -23.8325 -21.7297 -21.7297 -21.6858 -21.6858 -21.6812 -21.6812 -20.8115 -20.8115 -20.6977 -20.6977 -8.2136 -8.2136 -5.5816 -5.5816 -5.5402 -5.5402 -5.3913 -5.3913 -3.7700 -3.7700 -3.6708 -3.6708 -3.0059 -3.0059 -2.8039 -2.8039 -2.7223 -2.7223 -2.0146 -2.0146 -1.7266 -1.7266 -1.5453 -1.5453 -1.2716 -1.2716 -0.9715 -0.9715 -0.9438 -0.9438 -0.3210 -0.3210 -0.2847 -0.2847 -0.1108 -0.1108 10.2273 10.2273 12.0974 12.0974 13.1637 13.1637 13.2835 13.2835 13.7894 13.7894 k = 0.5429 0.3006-0.3717 ( 10589 PWs) bands (ev): -41.3769 -41.3769 -23.8326 -23.8326 -21.7292 -21.7292 -21.6868 -21.6868 -21.6807 -21.6807 -20.8104 -20.8104 -20.6988 -20.6988 -8.2142 -8.2142 -5.5785 -5.5785 -5.5414 -5.5414 -5.3927 -5.3927 -3.7648 -3.7648 -3.6636 -3.6636 -3.0153 -3.0153 -2.8082 -2.8082 -2.7358 -2.7358 -2.0003 -2.0003 -1.7216 -1.7216 -1.5397 -1.5397 -1.2712 -1.2712 -0.9790 -0.9790 -0.9479 -0.9479 -0.3198 -0.3198 -0.2842 -0.2842 -0.1124 -0.1124 10.2258 10.2258 12.1075 12.1075 13.1595 13.1595 13.2347 13.2347 13.8135 13.8135 k = 0.5515 0.3054-0.3589 ( 10597 PWs) bands (ev): -41.3769 -41.3769 -23.8327 -23.8327 -21.7286 -21.7286 -21.6882 -21.6882 -21.6797 -21.6797 -20.8090 -20.8090 -20.7001 -20.7001 -8.2150 -8.2150 -5.5755 -5.5755 -5.5420 -5.5420 -5.3945 -5.3945 -3.7588 -3.7588 -3.6545 -3.6545 -3.0264 -3.0264 -2.8135 -2.8135 -2.7515 -2.7515 -1.9836 -1.9836 -1.7156 -1.7156 -1.5331 -1.5331 -1.2708 -1.2708 -0.9902 -0.9902 -0.9507 -0.9507 -0.3184 -0.3184 -0.2835 -0.2835 -0.1144 -0.1144 10.2239 10.2239 12.1196 12.1196 13.1298 13.1298 13.2117 13.2117 13.8308 13.8308 k = 0.5601 0.3102-0.3460 ( 10590 PWs) bands (ev): -41.3769 -41.3769 -23.8329 -23.8329 -21.7279 -21.7279 -21.6900 -21.6900 -21.6784 -21.6784 -20.8073 -20.8073 -20.7016 -20.7016 -8.2160 -8.2160 -5.5736 -5.5736 -5.5413 -5.5413 -5.3965 -5.3965 -3.7520 -3.7520 -3.6437 -3.6437 -3.0392 -3.0392 -2.8198 -2.8198 -2.7691 -2.7691 -1.9648 -1.9648 -1.7086 -1.7086 -1.5254 -1.5254 -1.2703 -1.2703 -1.0048 -1.0048 -0.9523 -0.9523 -0.3167 -0.3167 -0.2828 -0.2828 -0.1168 -0.1168 10.2213 10.2213 12.1338 12.1338 13.0766 13.0766 13.2133 13.2133 13.8428 13.8428 k = 0.5686 0.3149-0.3332 ( 10596 PWs) bands (ev): -41.3769 -41.3769 -23.8332 -23.8332 -21.7271 -21.7271 -21.6920 -21.6920 -21.6769 -21.6769 -20.8055 -20.8055 -20.7033 -20.7033 -8.2172 -8.2172 -5.5735 -5.5735 -5.5385 -5.5385 -5.3987 -5.3987 -3.7446 -3.7446 -3.6310 -3.6310 -3.0532 -3.0532 -2.8273 -2.8273 -2.7882 -2.7882 -1.9441 -1.9441 -1.7007 -1.7007 -1.5169 -1.5169 -1.2697 -1.2697 -1.0221 -1.0221 -0.9533 -0.9533 -0.3149 -0.3149 -0.2819 -0.2819 -0.1194 -0.1194 10.2180 10.2180 12.1500 12.1500 13.0171 13.0171 13.2230 13.2230 13.8511 13.8511 k = 0.5772 0.3197-0.3203 ( 10590 PWs) bands (ev): -41.3769 -41.3769 -23.8335 -23.8335 -21.7263 -21.7263 -21.6942 -21.6942 -21.6752 -21.6752 -20.8035 -20.8035 -20.7052 -20.7052 -8.2186 -8.2186 -5.5753 -5.5753 -5.5334 -5.5334 -5.4011 -5.4011 -3.7368 -3.7368 -3.6165 -3.6165 -3.0685 -3.0685 -2.8366 -2.8366 -2.8080 -2.8080 -1.9218 -1.9218 -1.6919 -1.6919 -1.5075 -1.5075 -1.2690 -1.2690 -1.0416 -1.0416 -0.9539 -0.9539 -0.3129 -0.3129 -0.2809 -0.2809 -0.1223 -0.1223 10.2137 10.2137 12.1679 12.1679 12.9560 12.9560 13.2360 13.2360 13.8569 13.8569 k = 0.5858 0.3244-0.3075 ( 10592 PWs) bands (ev): -41.3769 -41.3769 -23.8339 -23.8339 -21.7254 -21.7254 -21.6966 -21.6966 -21.6733 -21.6733 -20.8013 -20.8013 -20.7073 -20.7073 -8.2203 -8.2203 -5.5786 -5.5786 -5.5267 -5.5267 -5.4036 -5.4036 -3.7286 -3.7286 -3.6001 -3.6001 -3.0846 -3.0846 -2.8490 -2.8490 -2.8265 -2.8265 -1.8983 -1.8983 -1.6823 -1.6823 -1.4975 -1.4975 -1.2682 -1.2682 -1.0630 -1.0630 -0.9543 -0.9543 -0.3107 -0.3107 -0.2798 -0.2798 -0.1255 -0.1255 10.2082 10.2082 12.1875 12.1875 12.8950 12.8950 13.2514 13.2514 13.8610 13.8610 k = 0.5944 0.3292-0.2946 ( 10586 PWs) bands (ev): -41.3769 -41.3769 -23.8343 -23.8343 -21.7245 -21.7245 -21.6990 -21.6990 -21.6712 -21.6712 -20.7989 -20.7989 -20.7095 -20.7095 -8.2224 -8.2224 -5.5831 -5.5831 -5.5187 -5.5187 -5.4062 -5.4062 -3.7201 -3.7201 -3.5820 -3.5820 -3.1016 -3.1016 -2.8666 -2.8666 -2.8415 -2.8415 -1.8737 -1.8737 -1.6720 -1.6720 -1.4868 -1.4868 -1.2674 -1.2674 -1.0860 -1.0860 -0.9547 -0.9547 -0.3085 -0.3085 -0.2785 -0.2785 -0.1289 -0.1289 10.2015 10.2015 12.2086 12.2086 12.8346 12.8346 13.2687 13.2687 13.8640 13.8640 k = 0.6030 0.3339-0.2817 ( 10590 PWs) bands (ev): -41.3769 -41.3769 -23.8348 -23.8348 -21.7235 -21.7235 -21.7014 -21.7014 -21.6690 -21.6690 -20.7965 -20.7965 -20.7118 -20.7118 -8.2247 -8.2247 -5.5883 -5.5883 -5.5101 -5.5101 -5.4087 -5.4087 -3.7115 -3.7115 -3.5622 -3.5622 -3.1192 -3.1192 -2.8886 -2.8886 -2.8535 -2.8535 -1.8484 -1.8484 -1.6611 -1.6611 -1.4757 -1.4757 -1.2666 -1.2666 -1.1102 -1.1102 -0.9549 -0.9549 -0.3062 -0.3062 -0.2770 -0.2770 -0.1325 -0.1325 10.1933 10.1933 12.2311 12.2311 12.7752 12.7752 13.2875 13.2875 13.8662 13.8662 k = 0.6116 0.3387-0.2689 ( 10600 PWs) bands (ev): -41.3769 -41.3769 -23.8354 -23.8354 -21.7227 -21.7227 -21.7038 -21.7038 -21.6667 -21.6667 -20.7939 -20.7939 -20.7143 -20.7143 -8.2275 -8.2275 -5.5940 -5.5940 -5.5013 -5.5013 -5.4110 -5.4110 -3.7028 -3.7028 -3.5409 -3.5409 -3.1372 -3.1372 -2.9124 -2.9124 -2.8647 -2.8647 -1.8224 -1.8224 -1.6497 -1.6497 -1.4641 -1.4641 -1.2658 -1.2658 -1.1352 -1.1352 -0.9552 -0.9552 -0.3038 -0.3038 -0.2754 -0.2754 -0.1362 -0.1362 10.1835 10.1835 12.2545 12.2545 12.7174 12.7174 13.3077 13.3077 13.8680 13.8680 k = 0.6201 0.3434-0.2560 ( 10592 PWs) bands (ev): -41.3769 -41.3769 -23.8361 -23.8361 -21.7220 -21.7220 -21.7059 -21.7059 -21.6642 -21.6642 -20.7912 -20.7912 -20.7168 -20.7168 -8.2307 -8.2307 -5.6001 -5.6001 -5.4927 -5.4927 -5.4127 -5.4127 -3.6941 -3.6941 -3.5181 -3.5181 -3.1554 -3.1554 -2.9370 -2.9370 -2.8758 -2.8758 -1.7961 -1.7961 -1.6379 -1.6379 -1.4523 -1.4523 -1.2653 -1.2653 -1.1606 -1.1606 -0.9554 -0.9554 -0.3014 -0.3014 -0.2736 -0.2736 -0.1400 -0.1400 10.1717 10.1717 12.2786 12.2786 12.6616 12.6616 13.3289 13.3289 13.8697 13.8697 k = 0.6287 0.3482-0.2432 ( 10590 PWs) bands (ev): -41.3769 -41.3769 -23.8369 -23.8369 -21.7216 -21.7216 -21.7076 -21.7076 -21.6617 -21.6617 -20.7885 -20.7885 -20.7194 -20.7194 -8.2343 -8.2343 -5.6064 -5.6064 -5.4849 -5.4849 -5.4135 -5.4135 -3.6854 -3.6854 -3.4943 -3.4943 -3.1739 -3.1739 -2.9617 -2.9617 -2.8871 -2.8871 -1.7696 -1.7696 -1.6258 -1.6258 -1.4403 -1.4403 -1.2652 -1.2652 -1.1856 -1.1856 -0.9556 -0.9556 -0.2991 -0.2991 -0.2716 -0.2716 -0.1438 -0.1438 10.1579 10.1579 12.3026 12.3026 12.6085 12.6085 13.3507 13.3507 13.8715 13.8715 k = 0.6287 0.3482-0.2432 ( 10590 PWs) bands (ev): -41.3769 -41.3769 -23.8369 -23.8369 -21.7216 -21.7216 -21.7076 -21.7076 -21.6617 -21.6617 -20.7885 -20.7885 -20.7194 -20.7194 -8.2343 -8.2343 -5.6064 -5.6064 -5.4849 -5.4849 -5.4135 -5.4135 -3.6854 -3.6854 -3.4943 -3.4943 -3.1739 -3.1739 -2.9617 -2.9617 -2.8871 -2.8871 -1.7696 -1.7696 -1.6258 -1.6258 -1.4403 -1.4403 -1.2652 -1.2652 -1.1856 -1.1856 -0.9556 -0.9556 -0.2991 -0.2991 -0.2716 -0.2716 -0.1438 -0.1438 10.1579 10.1579 12.3026 12.3026 12.6085 12.6085 13.3507 13.3507 13.8715 13.8715 k = 0.6243 0.3457-0.2281 ( 10578 PWs) bands (ev): -41.3769 -41.3769 -23.8376 -23.8376 -21.7189 -21.7189 -21.7110 -21.7110 -21.6602 -21.6602 -20.7868 -20.7868 -20.7207 -20.7207 -8.2355 -8.2355 -5.6056 -5.6056 -5.4850 -5.4850 -5.4129 -5.4129 -3.6790 -3.6790 -3.4806 -3.4806 -3.1864 -3.1864 -2.9779 -2.9779 -2.8905 -2.8905 -1.7467 -1.7467 -1.6228 -1.6228 -1.4379 -1.4379 -1.2689 -1.2689 -1.1988 -1.1988 -0.9567 -0.9567 -0.2983 -0.2983 -0.2705 -0.2705 -0.1480 -0.1480 10.1516 10.1516 12.3058 12.3058 12.5925 12.5925 13.3632 13.3632 13.8837 13.8837 k = 0.6198 0.3432-0.2131 ( 10573 PWs) bands (ev): -41.3769 -41.3769 -23.8385 -23.8385 -21.7169 -21.7169 -21.7133 -21.7133 -21.6587 -21.6587 -20.7851 -20.7851 -20.7220 -20.7220 -8.2376 -8.2376 -5.6056 -5.6056 -5.4850 -5.4850 -5.4118 -5.4118 -3.6724 -3.6724 -3.4669 -3.4669 -3.1995 -3.1995 -2.9942 -2.9942 -2.8935 -2.8935 -1.7270 -1.7270 -1.6158 -1.6158 -1.4352 -1.4352 -1.2726 -1.2726 -1.2114 -1.2114 -0.9578 -0.9578 -0.2974 -0.2974 -0.2691 -0.2691 -0.1523 -0.1523 10.1418 10.1418 12.2962 12.2962 12.5868 12.5868 13.3809 13.3809 13.8993 13.8993 k = 0.6154 0.3408-0.1981 ( 10566 PWs) bands (ev): -41.3769 -41.3769 -23.8396 -23.8396 -21.7192 -21.7192 -21.7112 -21.7112 -21.6572 -21.6572 -20.7833 -20.7833 -20.7234 -20.7234 -8.2404 -8.2404 -5.6065 -5.6065 -5.4848 -5.4848 -5.4104 -5.4104 -3.6656 -3.6656 -3.4535 -3.4535 -3.2129 -3.2129 -3.0102 -3.0102 -2.8961 -2.8961 -1.7128 -1.7128 -1.6030 -1.6030 -1.4321 -1.4321 -1.2767 -1.2767 -1.2229 -1.2229 -0.9587 -0.9587 -0.2966 -0.2966 -0.2674 -0.2674 -0.1567 -0.1567 10.1287 10.1287 12.2751 12.2751 12.5897 12.5897 13.4042 13.4042 13.9181 13.9181 k = 0.6110 0.3383-0.1830 ( 10560 PWs) bands (ev): -41.3769 -41.3769 -23.8408 -23.8408 -21.7227 -21.7227 -21.7077 -21.7077 -21.6555 -21.6555 -20.7815 -20.7815 -20.7249 -20.7249 -8.2439 -8.2439 -5.6084 -5.6084 -5.4840 -5.4840 -5.4087 -5.4087 -3.6586 -3.6586 -3.4407 -3.4407 -3.2265 -3.2265 -3.0253 -3.0253 -2.8984 -2.8984 -1.7049 -1.7049 -1.5844 -1.5844 -1.4286 -1.4286 -1.2814 -1.2814 -1.2329 -1.2329 -0.9594 -0.9594 -0.2958 -0.2958 -0.2654 -0.2654 -0.1611 -0.1611 10.1125 10.1125 12.2457 12.2457 12.5982 12.5982 13.4332 13.4332 13.9401 13.9401 k = 0.6065 0.3359-0.1680 ( 10562 PWs) bands (ev): -41.3769 -41.3769 -23.8422 -23.8422 -21.7263 -21.7263 -21.7038 -21.7038 -21.6538 -21.6538 -20.7796 -20.7796 -20.7263 -20.7263 -8.2481 -8.2481 -5.6114 -5.6114 -5.4825 -5.4825 -5.4070 -5.4070 -3.6515 -3.6515 -3.4289 -3.4289 -3.2405 -3.2405 -3.0391 -3.0391 -2.9003 -2.9003 -1.7021 -1.7021 -1.5619 -1.5619 -1.4245 -1.4245 -1.2869 -1.2869 -1.2406 -1.2406 -0.9599 -0.9599 -0.2951 -0.2951 -0.2632 -0.2632 -0.1655 -0.1655 10.0936 10.0936 12.2108 12.2108 12.6092 12.6092 13.4677 13.4677 13.9652 13.9652 k = 0.6021 0.3334-0.1530 ( 10560 PWs) bands (ev): -41.3769 -41.3769 -23.8438 -23.8438 -21.7300 -21.7300 -21.6996 -21.6996 -21.6521 -21.6521 -20.7777 -20.7777 -20.7278 -20.7278 -8.2528 -8.2528 -5.6153 -5.6153 -5.4801 -5.4801 -5.4052 -5.4052 -3.6443 -3.6443 -3.4185 -3.4185 -3.2547 -3.2547 -3.0508 -3.0508 -2.9018 -2.9018 -1.7029 -1.7029 -1.5380 -1.5380 -1.4195 -1.4195 -1.2931 -1.2931 -1.2459 -1.2459 -0.9600 -0.9600 -0.2946 -0.2946 -0.2608 -0.2608 -0.1699 -0.1699 10.0722 10.0722 12.1727 12.1727 12.6207 12.6207 13.5076 13.5076 13.9932 13.9932 k = 0.5976 0.3310-0.1379 ( 10560 PWs) bands (ev): -41.3769 -41.3769 -23.8454 -23.8454 -21.7337 -21.7337 -21.6953 -21.6953 -21.6503 -21.6503 -20.7758 -20.7758 -20.7293 -20.7293 -8.2581 -8.2581 -5.6201 -5.6201 -5.4770 -5.4770 -5.4034 -5.4034 -3.6371 -3.6371 -3.4098 -3.4098 -3.2692 -3.2692 -3.0601 -3.0601 -2.9031 -2.9031 -1.7061 -1.7061 -1.5153 -1.5153 -1.4133 -1.4133 -1.2995 -1.2995 -1.2485 -1.2485 -0.9597 -0.9597 -0.2943 -0.2943 -0.2582 -0.2582 -0.1742 -0.1742 10.0487 10.0487 12.1329 12.1329 12.6314 12.6314 13.5524 13.5524 14.0242 14.0242 k = 0.5932 0.3285-0.1229 ( 10555 PWs) bands (ev): -41.3769 -41.3769 -23.8472 -23.8472 -21.7373 -21.7373 -21.6908 -21.6908 -21.6485 -21.6485 -20.7739 -20.7739 -20.7308 -20.7308 -8.2638 -8.2638 -5.6256 -5.6256 -5.4731 -5.4731 -5.4017 -5.4017 -3.6299 -3.6299 -3.4032 -3.4032 -3.2841 -3.2841 -3.0664 -3.0664 -2.9040 -2.9040 -1.7110 -1.7110 -1.4960 -1.4960 -1.4057 -1.4057 -1.3048 -1.3048 -1.2484 -1.2484 -0.9589 -0.9589 -0.2943 -0.2943 -0.2555 -0.2555 -0.1784 -0.1784 10.0234 10.0234 12.0924 12.0924 12.6409 12.6409 13.6018 13.6018 14.0580 14.0580 k = 0.5888 0.3260-0.1079 ( 10552 PWs) bands (ev): -41.3769 -41.3769 -23.8490 -23.8490 -21.7410 -21.7410 -21.6863 -21.6863 -21.6467 -21.6467 -20.7721 -20.7721 -20.7322 -20.7322 -8.2699 -8.2699 -5.6317 -5.6317 -5.4687 -5.4687 -5.4000 -5.4000 -3.6228 -3.6228 -3.3989 -3.3989 -3.2993 -3.2993 -3.0693 -3.0693 -2.9047 -2.9047 -1.7173 -1.7173 -1.4815 -1.4815 -1.3978 -1.3978 -1.3075 -1.3075 -1.2454 -1.2454 -0.9576 -0.9576 -0.2946 -0.2946 -0.2527 -0.2527 -0.1823 -0.1823 9.9967 9.9967 12.0518 12.0518 12.6489 12.6489 13.6552 13.6552 14.0944 14.0944 k = 0.5843 0.3236-0.0928 ( 10550 PWs) bands (ev): -41.3769 -41.3769 -23.8509 -23.8509 -21.7445 -21.7445 -21.6816 -21.6816 -21.6449 -21.6449 -20.7703 -20.7703 -20.7337 -20.7337 -8.2763 -8.2763 -5.6382 -5.6382 -5.4637 -5.4637 -5.3985 -5.3985 -3.6158 -3.6158 -3.3967 -3.3967 -3.3150 -3.3150 -3.0688 -3.0688 -2.9050 -2.9050 -1.7246 -1.7246 -1.4718 -1.4718 -1.3922 -1.3922 -1.3064 -1.3064 -1.2387 -1.2387 -0.9559 -0.9559 -0.2953 -0.2953 -0.2498 -0.2498 -0.1861 -0.1861 9.9689 9.9689 12.0117 12.0117 12.6553 12.6553 13.7122 13.7122 14.1334 14.1334 k = 0.5799 0.3211-0.0778 ( 10550 PWs) bands (ev): -41.3769 -41.3769 -23.8529 -23.8529 -21.7480 -21.7480 -21.6770 -21.6770 -21.6431 -21.6431 -20.7685 -20.7685 -20.7352 -20.7352 -8.2830 -8.2830 -5.6449 -5.6449 -5.4584 -5.4584 -5.3971 -5.3971 -3.6090 -3.6090 -3.3968 -3.3968 -3.3308 -3.3308 -3.0651 -3.0651 -2.9051 -2.9051 -1.7329 -1.7329 -1.4657 -1.4657 -1.3908 -1.3908 -1.3021 -1.3021 -1.2269 -1.2269 -0.9536 -0.9536 -0.2964 -0.2964 -0.2470 -0.2470 -0.1895 -0.1895 9.9403 9.9403 11.9723 11.9723 12.6602 12.6602 13.7723 13.7723 14.1748 14.1748 k = 0.5755 0.3187-0.0627 ( 10558 PWs) bands (ev): -41.3769 -41.3769 -23.8548 -23.8548 -21.7513 -21.7513 -21.6723 -21.6723 -21.6413 -21.6413 -20.7667 -20.7667 -20.7366 -20.7366 -8.2897 -8.2897 -5.6517 -5.6517 -5.4528 -5.4528 -5.3958 -5.3958 -3.6024 -3.6024 -3.3989 -3.3989 -3.3465 -3.3465 -3.0585 -3.0585 -2.9050 -2.9050 -1.7419 -1.7419 -1.4622 -1.4622 -1.3933 -1.3933 -1.2970 -1.2970 -1.2096 -1.2096 -0.9508 -0.9508 -0.2978 -0.2978 -0.2443 -0.2443 -0.1926 -0.1926 9.9112 9.9112 11.9339 11.9339 12.6638 12.6638 13.8349 13.8349 14.2184 14.2184 k = 0.5710 0.3162-0.0477 ( 10558 PWs) bands (ev): -41.3769 -41.3769 -23.8568 -23.8568 -21.7546 -21.7546 -21.6677 -21.6677 -21.6395 -21.6395 -20.7650 -20.7650 -20.7380 -20.7380 -8.2966 -8.2966 -5.6585 -5.6585 -5.4470 -5.4470 -5.3946 -5.3946 -3.5961 -3.5961 -3.4031 -3.4031 -3.3615 -3.3615 -3.0496 -3.0496 -2.9047 -2.9047 -1.7516 -1.7516 -1.4602 -1.4602 -1.3982 -1.3982 -1.2928 -1.2928 -1.1875 -1.1875 -0.9475 -0.9475 -0.2997 -0.2997 -0.2416 -0.2416 -0.1953 -0.1953 9.8820 9.8820 11.8968 11.8968 12.6662 12.6662 13.8998 13.8998 14.2640 14.2640 k = 0.5666 0.3138-0.0327 ( 10558 PWs) bands (ev): -41.3769 -41.3769 -23.8587 -23.8587 -21.7577 -21.7577 -21.6632 -21.6632 -21.6378 -21.6378 -20.7634 -20.7634 -20.7393 -20.7393 -8.3035 -8.3035 -5.6653 -5.6653 -5.4412 -5.4412 -5.3935 -5.3935 -3.5901 -3.5901 -3.4096 -3.4096 -3.3751 -3.3751 -3.0387 -3.0387 -2.9042 -2.9042 -1.7619 -1.7619 -1.4592 -1.4592 -1.4043 -1.4043 -1.2898 -1.2898 -1.1624 -1.1624 -0.9438 -0.9438 -0.3019 -0.3019 -0.2391 -0.2391 -0.1977 -0.1977 9.8530 9.8530 11.8611 11.8611 12.6676 12.6676 13.9665 13.9665 14.3116 14.3116 k = 0.5621 0.3113-0.0176 ( 10558 PWs) bands (ev): -41.3769 -41.3769 -23.8607 -23.8607 -21.7607 -21.7607 -21.6587 -21.6587 -21.6361 -21.6361 -20.7619 -20.7619 -20.7406 -20.7406 -8.3103 -8.3103 -5.6719 -5.6719 -5.4354 -5.4354 -5.3926 -5.3926 -3.5844 -3.5844 -3.4189 -3.4189 -3.3862 -3.3862 -3.0265 -3.0265 -2.9035 -2.9035 -1.7725 -1.7725 -1.4589 -1.4589 -1.4109 -1.4109 -1.2879 -1.2879 -1.1356 -1.1356 -0.9397 -0.9397 -0.3045 -0.3045 -0.2369 -0.2369 -0.1996 -0.1996 9.8243 9.8243 11.8271 11.8271 12.6683 12.6683 14.0347 14.0347 14.3609 14.3609 k = 0.5577 0.3088-0.0026 ( 10554 PWs) bands (ev): -41.3769 -41.3769 -23.8625 -23.8625 -21.7635 -21.7635 -21.6544 -21.6544 -21.6345 -21.6345 -20.7604 -20.7604 -20.7419 -20.7419 -8.3169 -8.3169 -5.6782 -5.6782 -5.4297 -5.4297 -5.3917 -5.3917 -3.5791 -3.5791 -3.4307 -3.4307 -3.3948 -3.3948 -3.0134 -3.0134 -2.9027 -2.9027 -1.7835 -1.7835 -1.4590 -1.4590 -1.4175 -1.4175 -1.2867 -1.2867 -1.1083 -1.1083 -0.9353 -0.9353 -0.3074 -0.3074 -0.2348 -0.2348 -0.2011 -0.2011 9.7964 9.7964 11.7948 11.7948 12.6683 12.6683 14.1040 14.1040 14.4116 14.4116 k = 0.5533 0.3064 0.0124 ( 10555 PWs) bands (ev): -41.3769 -41.3769 -23.8643 -23.8643 -21.7662 -21.7662 -21.6503 -21.6503 -21.6329 -21.6329 -20.7591 -20.7591 -20.7431 -20.7431 -8.3234 -8.3234 -5.6842 -5.6842 -5.4242 -5.4242 -5.3910 -5.3910 -3.5742 -3.5742 -3.4439 -3.4439 -3.4014 -3.4014 -2.9998 -2.9998 -2.9018 -2.9018 -1.7945 -1.7945 -1.4595 -1.4595 -1.4240 -1.4240 -1.2860 -1.2860 -1.0813 -1.0813 -0.9307 -0.9307 -0.3106 -0.3106 -0.2330 -0.2330 -0.2023 -0.2023 9.7695 9.7695 11.7644 11.7644 12.6677 12.6677 14.1740 14.1740 14.4636 14.4636 k = 0.5488 0.3039 0.0275 ( 10552 PWs) bands (ev): -41.3769 -41.3769 -23.8661 -23.8661 -21.7687 -21.7687 -21.6464 -21.6464 -21.6314 -21.6314 -20.7578 -20.7578 -20.7442 -20.7442 -8.3296 -8.3296 -5.6899 -5.6899 -5.4189 -5.4189 -5.3903 -5.3903 -3.5699 -3.5699 -3.4574 -3.4574 -3.4068 -3.4068 -2.9861 -2.9861 -2.9008 -2.9008 -1.8055 -1.8055 -1.4601 -1.4601 -1.4302 -1.4302 -1.2856 -1.2856 -1.0551 -1.0551 -0.9259 -0.9259 -0.3140 -0.3140 -0.2315 -0.2315 -0.2031 -0.2031 9.7438 9.7438 11.7360 11.7360 12.6668 12.6668 14.2446 14.2446 14.5166 14.5166 k = 0.5444 0.3015 0.0425 ( 10555 PWs) bands (ev): -41.3769 -41.3769 -23.8677 -23.8677 -21.7710 -21.7710 -21.6428 -21.6428 -21.6300 -21.6300 -20.7566 -20.7566 -20.7453 -20.7453 -8.3355 -8.3355 -5.6951 -5.6951 -5.4138 -5.4138 -5.3898 -5.3898 -3.5660 -3.5660 -3.4705 -3.4705 -3.4114 -3.4114 -2.9726 -2.9726 -2.8998 -2.8998 -1.8164 -1.8164 -1.4608 -1.4608 -1.4359 -1.4359 -1.2854 -1.2854 -1.0302 -1.0302 -0.9211 -0.9211 -0.3175 -0.3175 -0.2303 -0.2303 -0.2035 -0.2035 9.7195 9.7195 11.7098 11.7098 12.6656 12.6656 14.3153 14.3153 14.5705 14.5705 k = 0.5399 0.2990 0.0575 ( 10543 PWs) bands (ev): -41.3769 -41.3769 -23.8692 -23.8692 -21.7731 -21.7731 -21.6394 -21.6394 -21.6287 -21.6287 -20.7555 -20.7555 -20.7462 -20.7462 -8.3409 -8.3409 -5.7000 -5.7000 -5.4092 -5.4092 -5.3893 -5.3893 -3.5627 -3.5627 -3.4828 -3.4828 -3.4153 -3.4153 -2.9596 -2.9596 -2.8987 -2.8987 -1.8268 -1.8268 -1.4615 -1.4615 -1.4413 -1.4413 -1.2855 -1.2855 -1.0069 -1.0069 -0.9162 -0.9162 -0.3211 -0.3211 -0.2292 -0.2292 -0.2038 -0.2038 9.6969 9.6969 11.6858 11.6858 12.6643 12.6643 14.3858 14.3858 14.6248 14.6248 k = 0.5355 0.2966 0.0726 ( 10537 PWs) bands (ev): -41.3769 -41.3769 -23.8706 -23.8706 -21.7751 -21.7751 -21.6363 -21.6363 -21.6275 -21.6275 -20.7545 -20.7545 -20.7471 -20.7471 -8.3460 -8.3460 -5.7044 -5.7044 -5.4049 -5.4049 -5.3889 -5.3889 -3.5600 -3.5600 -3.4941 -3.4941 -3.4187 -3.4187 -2.9473 -2.9473 -2.8977 -2.8977 -1.8367 -1.8367 -1.4623 -1.4623 -1.4461 -1.4461 -1.2856 -1.2856 -0.9854 -0.9854 -0.9114 -0.9114 -0.3246 -0.3246 -0.2285 -0.2285 -0.2038 -0.2038 9.6761 9.6761 11.6640 11.6640 12.6628 12.6628 14.4556 14.4556 14.6793 14.6793 k = 0.5311 0.2941 0.0876 ( 10535 PWs) bands (ev): -41.3769 -41.3769 -23.8719 -23.8719 -21.7768 -21.7768 -21.6336 -21.6336 -21.6264 -21.6264 -20.7537 -20.7537 -20.7479 -20.7479 -8.3506 -8.3506 -5.7083 -5.7083 -5.4010 -5.4010 -5.3886 -5.3886 -3.5580 -3.5580 -3.5040 -3.5040 -3.4217 -3.4217 -2.9360 -2.9360 -2.8966 -2.8966 -1.8460 -1.8460 -1.4631 -1.4631 -1.4504 -1.4504 -1.2857 -1.2857 -0.9662 -0.9662 -0.9067 -0.9067 -0.3280 -0.3280 -0.2278 -0.2278 -0.2036 -0.2036 9.6573 9.6573 11.6447 11.6447 12.6614 12.6614 14.5240 14.5240 14.7336 14.7336 k = 0.5266 0.2916 0.1026 ( 10530 PWs) bands (ev): -41.3769 -41.3769 -23.8730 -23.8730 -21.7783 -21.7783 -21.6312 -21.6312 -21.6253 -21.6253 -20.7529 -20.7529 -20.7486 -20.7486 -8.3546 -8.3546 -5.7117 -5.7117 -5.3975 -5.3975 -5.3883 -5.3883 -3.5567 -3.5567 -3.5124 -3.5124 -3.4241 -3.4241 -2.9258 -2.9258 -2.8955 -2.8955 -1.8544 -1.8544 -1.4638 -1.4638 -1.4541 -1.4541 -1.2859 -1.2859 -0.9494 -0.9494 -0.9021 -0.9021 -0.3312 -0.3312 -0.2274 -0.2274 -0.2034 -0.2034 9.6408 9.6408 11.6278 11.6278 12.6600 12.6600 14.5900 14.5900 14.7872 14.7872 k = 0.5222 0.2892 0.1177 ( 10530 PWs) bands (ev): -41.3769 -41.3769 -23.8739 -23.8739 -21.7796 -21.7796 -21.6293 -21.6293 -21.6244 -21.6244 -20.7523 -20.7523 -20.7492 -20.7492 -8.3581 -8.3581 -5.7147 -5.7147 -5.3946 -5.3946 -5.3881 -5.3881 -3.5562 -3.5562 -3.5191 -3.5191 -3.4261 -3.4261 -2.9171 -2.9171 -2.8943 -2.8943 -1.8617 -1.8617 -1.4645 -1.4645 -1.4572 -1.4572 -1.2861 -1.2861 -0.9354 -0.9354 -0.8975 -0.8975 -0.3341 -0.3341 -0.2270 -0.2270 -0.2032 -0.2032 9.6265 9.6265 11.6134 11.6134 12.6588 12.6588 14.6522 14.6522 14.8393 14.8393 k = 0.5178 0.2867 0.1327 ( 10530 PWs) bands (ev): -41.3769 -41.3769 -23.8747 -23.8747 -21.7806 -21.7806 -21.6277 -21.6277 -21.6235 -21.6235 -20.7518 -20.7518 -20.7497 -20.7497 -8.3610 -8.3610 -5.7171 -5.7171 -5.3921 -5.3921 -5.3879 -5.3879 -3.5565 -3.5565 -3.5240 -3.5240 -3.4277 -3.4277 -2.9101 -2.9101 -2.8930 -2.8930 -1.8680 -1.8680 -1.4653 -1.4653 -1.4597 -1.4597 -1.2863 -1.2863 -0.9244 -0.9244 -0.8929 -0.8929 -0.3366 -0.3366 -0.2268 -0.2268 -0.2029 -0.2029 9.6147 9.6147 11.6015 11.6015 12.6577 12.6577 14.7082 14.7082 14.8884 14.8884 k = 0.5133 0.2843 0.1478 ( 10534 PWs) bands (ev): -41.3769 -41.3769 -23.8753 -23.8753 -21.7814 -21.7814 -21.6266 -21.6266 -21.6228 -21.6228 -20.7513 -20.7513 -20.7501 -20.7501 -8.3633 -8.3633 -5.7190 -5.7190 -5.3902 -5.3902 -5.3878 -5.3878 -3.5574 -3.5574 -3.5273 -3.5273 -3.4289 -3.4289 -2.9049 -2.9049 -2.8916 -2.8916 -1.8730 -1.8730 -1.4660 -1.4660 -1.4614 -1.4614 -1.2865 -1.2865 -0.9165 -0.9165 -0.8885 -0.8885 -0.3386 -0.3386 -0.2266 -0.2266 -0.2027 -0.2027 9.6054 9.6054 11.5923 11.5923 12.6568 12.6568 14.7544 14.7544 14.9321 14.9321 k = 0.5089 0.2818 0.1628 ( 10533 PWs) bands (ev): -41.3769 -41.3769 -23.8758 -23.8758 -21.7820 -21.7820 -21.6258 -21.6258 -21.6222 -21.6222 -20.7511 -20.7511 -20.7504 -20.7504 -8.3649 -8.3649 -5.7203 -5.7203 -5.3888 -5.3888 -5.3877 -5.3877 -3.5584 -3.5584 -3.5293 -3.5293 -3.4298 -3.4298 -2.9017 -2.9017 -2.8900 -2.8900 -1.8766 -1.8766 -1.4667 -1.4667 -1.4625 -1.4625 -1.2866 -1.2866 -0.9113 -0.9113 -0.8848 -0.8848 -0.3401 -0.3401 -0.2265 -0.2265 -0.2026 -0.2026 9.5987 9.5987 11.5856 11.5856 12.6561 12.6561 14.7875 14.7875 14.9673 14.9673 k = 0.5044 0.2793 0.1778 ( 10530 PWs) bands (ev): -41.3769 -41.3769 -23.8761 -23.8761 -21.7824 -21.7824 -21.6253 -21.6253 -21.6218 -21.6218 -20.7509 -20.7509 -20.7506 -20.7506 -8.3659 -8.3659 -5.7211 -5.7211 -5.3879 -5.3879 -5.3876 -5.3876 -3.5592 -3.5592 -3.5303 -3.5303 -3.4303 -3.4303 -2.9000 -2.9000 -2.8888 -2.8888 -1.8788 -1.8788 -1.4672 -1.4672 -1.4631 -1.4631 -1.2867 -1.2867 -0.9085 -0.9085 -0.8822 -0.8822 -0.3411 -0.3411 -0.2265 -0.2265 -0.2025 -0.2025 9.5947 9.5947 11.5816 11.5816 12.6557 12.6557 14.8063 14.8063 14.9930 14.9930 k = 0.5000 0.2769 0.1929 ( 10526 PWs) bands (ev): -41.3769 -41.3769 -23.8761 -23.8761 -21.7825 -21.7825 -21.6252 -21.6252 -21.6217 -21.6217 -20.7508 -20.7508 -20.7506 -20.7506 -8.3662 -8.3662 -5.7214 -5.7214 -5.3877 -5.3877 -5.3876 -5.3876 -3.5595 -3.5595 -3.5306 -3.5306 -3.4304 -3.4304 -2.8995 -2.8995 -2.8883 -2.8883 -1.8796 -1.8796 -1.4674 -1.4674 -1.4633 -1.4633 -1.2867 -1.2867 -0.9076 -0.9076 -0.8813 -0.8813 -0.3414 -0.3414 -0.2264 -0.2264 -0.2024 -0.2024 9.5933 9.5933 11.5803 11.5803 12.6556 12.6556 14.8123 14.8123 15.0034 15.0034 k = 0.5000-0.3130-0.2180 ( 10600 PWs) bands (ev): -41.3769 -41.3769 -23.8643 -23.8643 -21.7843 -21.7843 -21.6404 -21.6404 -21.6105 -21.6105 -20.7746 -20.7746 -20.7393 -20.7393 -8.3971 -8.3971 -5.8468 -5.8468 -5.4011 -5.4011 -5.2885 -5.2885 -3.7406 -3.7406 -3.4312 -3.4312 -3.1676 -3.1676 -3.1115 -3.1115 -2.8581 -2.8581 -1.9088 -1.9088 -1.5595 -1.5595 -1.4142 -1.4142 -1.0574 -1.0574 -0.9183 -0.9183 -0.8985 -0.8985 -0.2661 -0.2661 -0.2041 -0.2041 -0.1282 -0.1282 9.5717 9.5717 11.8707 11.8707 12.3795 12.3795 13.7702 13.7702 14.7650 14.7650 k = 0.5095-0.3027-0.2109 ( 10606 PWs) bands (ev): -41.3769 -41.3769 -23.8642 -23.8642 -21.7842 -21.7842 -21.6405 -21.6405 -21.6107 -21.6107 -20.7746 -20.7746 -20.7393 -20.7393 -8.3967 -8.3967 -5.8463 -5.8463 -5.4012 -5.4012 -5.2889 -5.2889 -3.7403 -3.7403 -3.4309 -3.4309 -3.1679 -3.1679 -3.1115 -3.1115 -2.8587 -2.8587 -1.9082 -1.9082 -1.5591 -1.5591 -1.4141 -1.4141 -1.0579 -1.0579 -0.9194 -0.9194 -0.8990 -0.8990 -0.2661 -0.2661 -0.2043 -0.2043 -0.1283 -0.1283 9.5731 9.5731 11.8719 11.8719 12.3798 12.3798 13.7705 13.7705 14.7441 14.7441 k = 0.5191-0.2925-0.2037 ( 10600 PWs) bands (ev): -41.3769 -41.3769 -23.8640 -23.8640 -21.7838 -21.7838 -21.6408 -21.6408 -21.6112 -21.6112 -20.7745 -20.7745 -20.7394 -20.7394 -8.3955 -8.3955 -5.8448 -5.8448 -5.4013 -5.4013 -5.2900 -5.2900 -3.7391 -3.7391 -3.4299 -3.4299 -3.1689 -3.1689 -3.1115 -3.1115 -2.8604 -2.8604 -1.9064 -1.9064 -1.5577 -1.5577 -1.4137 -1.4137 -1.0593 -1.0593 -0.9226 -0.9226 -0.9003 -0.9003 -0.2662 -0.2662 -0.2047 -0.2047 -0.1285 -0.1285 9.5772 9.5772 11.8753 11.8753 12.3809 12.3809 13.7713 13.7713 14.6976 14.6976 k = 0.5286-0.2822-0.1966 ( 10596 PWs) bands (ev): -41.3769 -41.3769 -23.8636 -23.8636 -21.7833 -21.7833 -21.6413 -21.6413 -21.6120 -21.6120 -20.7743 -20.7743 -20.7395 -20.7395 -8.3934 -8.3934 -5.8424 -5.8424 -5.4016 -5.4016 -5.2920 -5.2920 -3.7372 -3.7372 -3.4283 -3.4283 -3.1704 -3.1704 -3.1114 -3.1114 -2.8631 -2.8631 -1.9035 -1.9035 -1.5556 -1.5556 -1.4132 -1.4132 -1.0616 -1.0616 -0.9281 -0.9281 -0.9023 -0.9023 -0.2664 -0.2664 -0.2055 -0.2055 -0.1289 -0.1289 9.5842 9.5842 11.8811 11.8811 12.3826 12.3826 13.7727 13.7727 14.6406 14.6406 k = 0.5381-0.2720-0.1894 ( 10597 PWs) bands (ev): -41.3769 -41.3769 -23.8631 -23.8631 -21.7825 -21.7825 -21.6420 -21.6420 -21.6131 -21.6131 -20.7740 -20.7740 -20.7396 -20.7396 -8.3906 -8.3906 -5.8390 -5.8390 -5.4020 -5.4020 -5.2947 -5.2947 -3.7346 -3.7346 -3.4260 -3.4260 -3.1726 -3.1726 -3.1112 -3.1112 -2.8669 -2.8669 -1.8996 -1.8996 -1.5525 -1.5525 -1.4123 -1.4123 -1.0650 -1.0650 -0.9359 -0.9359 -0.9048 -0.9048 -0.2666 -0.2666 -0.2066 -0.2066 -0.1294 -0.1294 9.5938 9.5938 11.8891 11.8891 12.3849 12.3849 13.7746 13.7746 14.5781 14.5781 k = 0.5477-0.2617-0.1823 ( 10600 PWs) bands (ev): -41.3769 -41.3769 -23.8625 -23.8625 -21.7815 -21.7815 -21.6430 -21.6430 -21.6146 -21.6146 -20.7737 -20.7737 -20.7397 -20.7397 -8.3870 -8.3870 -5.8347 -5.8347 -5.4025 -5.4025 -5.2981 -5.2981 -3.7314 -3.7314 -3.4232 -3.4232 -3.1755 -3.1755 -3.1109 -3.1109 -2.8714 -2.8714 -1.8947 -1.8947 -1.5487 -1.5487 -1.4113 -1.4113 -1.0693 -1.0693 -0.9461 -0.9461 -0.9076 -0.9076 -0.2670 -0.2670 -0.2080 -0.2080 -0.1300 -0.1300 9.6061 9.6061 11.8993 11.8993 12.3879 12.3879 13.7771 13.7771 14.5122 14.5122 k = 0.5572-0.2515-0.1752 ( 10600 PWs) bands (ev): -41.3769 -41.3769 -23.8617 -23.8617 -21.7802 -21.7802 -21.6442 -21.6442 -21.6162 -21.6162 -20.7734 -20.7734 -20.7398 -20.7398 -8.3827 -8.3827 -5.8294 -5.8294 -5.4031 -5.4031 -5.3023 -5.3023 -3.7275 -3.7275 -3.4197 -3.4197 -3.1791 -3.1791 -3.1105 -3.1105 -2.8766 -2.8766 -1.8889 -1.8889 -1.5442 -1.5442 -1.4099 -1.4099 -1.0747 -1.0747 -0.9586 -0.9586 -0.9106 -0.9106 -0.2674 -0.2674 -0.2096 -0.2096 -0.1308 -0.1308 9.6209 9.6209 11.9118 11.9118 12.3915 12.3915 13.7799 13.7799 14.4443 14.4443 k = 0.5667-0.2412-0.1680 ( 10603 PWs) bands (ev): -41.3769 -41.3769 -23.8608 -23.8608 -21.7788 -21.7788 -21.6456 -21.6456 -21.6181 -21.6181 -20.7731 -20.7731 -20.7399 -20.7399 -8.3777 -8.3777 -5.8233 -5.8233 -5.4039 -5.4039 -5.3071 -5.3071 -3.7232 -3.7232 -3.4157 -3.4157 -3.1834 -3.1834 -3.1098 -3.1098 -2.8823 -2.8823 -1.8824 -1.8824 -1.5389 -1.5389 -1.4083 -1.4083 -1.0813 -1.0813 -0.9732 -0.9732 -0.9137 -0.9137 -0.2679 -0.2679 -0.2116 -0.2116 -0.1316 -0.1316 9.6382 9.6382 11.9264 11.9264 12.3957 12.3957 13.7832 13.7832 14.3751 14.3751 k = 0.5763-0.2310-0.1609 ( 10603 PWs) bands (ev): -41.3769 -41.3769 -23.8598 -23.8598 -21.7771 -21.7771 -21.6473 -21.6473 -21.6203 -21.6203 -20.7727 -20.7727 -20.7400 -20.7400 -8.3720 -8.3720 -5.8163 -5.8163 -5.4047 -5.4047 -5.3126 -5.3126 -3.7184 -3.7184 -3.4113 -3.4113 -3.1884 -3.1884 -3.1088 -3.1088 -2.8883 -2.8883 -1.8753 -1.8753 -1.5332 -1.5332 -1.4063 -1.4063 -1.0890 -1.0890 -0.9898 -0.9898 -0.9170 -0.9170 -0.2685 -0.2685 -0.2138 -0.2138 -0.1326 -0.1326 9.6578 9.6578 11.9431 11.9431 12.4003 12.4003 13.7868 13.7868 14.3052 14.3052 k = 0.5858-0.2207-0.1537 ( 10601 PWs) bands (ev): -41.3769 -41.3769 -23.8587 -23.8587 -21.7753 -21.7753 -21.6492 -21.6492 -21.6225 -21.6225 -20.7724 -20.7724 -20.7400 -20.7400 -8.3658 -8.3658 -5.8084 -5.8084 -5.4057 -5.4057 -5.3186 -5.3186 -3.7133 -3.7133 -3.4064 -3.4064 -3.1940 -3.1940 -3.1075 -3.1075 -2.8944 -2.8944 -1.8677 -1.8677 -1.5270 -1.5270 -1.4039 -1.4039 -1.0980 -1.0980 -1.0080 -1.0080 -0.9202 -0.9202 -0.2693 -0.2693 -0.2162 -0.2162 -0.1336 -0.1336 9.6795 9.6795 11.9620 11.9620 12.4053 12.4053 13.7907 13.7907 14.2353 14.2353 k = 0.5953-0.2105-0.1466 ( 10601 PWs) bands (ev): -41.3769 -41.3769 -23.8575 -23.8575 -21.7732 -21.7732 -21.6513 -21.6513 -21.6249 -21.6249 -20.7722 -20.7722 -20.7399 -20.7399 -8.3590 -8.3590 -5.7998 -5.7998 -5.4068 -5.4068 -5.3252 -5.3252 -3.7081 -3.7081 -3.4013 -3.4013 -3.2003 -3.2003 -3.1057 -3.1057 -2.9005 -2.9005 -1.8598 -1.8598 -1.5206 -1.5206 -1.4010 -1.4010 -1.1083 -1.1083 -1.0276 -1.0276 -0.9234 -0.9234 -0.2701 -0.2701 -0.2189 -0.2189 -0.1347 -0.1347 9.7032 9.7032 11.9828 11.9828 12.4106 12.4106 13.7948 13.7948 14.1656 14.1656 k = 0.6049-0.2002-0.1394 ( 10595 PWs) bands (ev): -41.3769 -41.3769 -23.8562 -23.8562 -21.7710 -21.7710 -21.6537 -21.6537 -21.6274 -21.6274 -20.7721 -20.7721 -20.7397 -20.7397 -8.3517 -8.3517 -5.7904 -5.7904 -5.4081 -5.4081 -5.3323 -5.3323 -3.7027 -3.7027 -3.3960 -3.3960 -3.2071 -3.2071 -3.1034 -3.1034 -2.9062 -2.9062 -1.8517 -1.8517 -1.5143 -1.5143 -1.3974 -1.3974 -1.1201 -1.1201 -1.0482 -1.0482 -0.9265 -0.9265 -0.2711 -0.2711 -0.2217 -0.2217 -0.1358 -0.1358 9.7287 9.7287 12.0055 12.0055 12.4161 12.4161 13.7990 13.7990 14.0967 14.0967 k = 0.6144-0.1899-0.1323 ( 10595 PWs) bands (ev): -41.3769 -41.3769 -23.8549 -23.8549 -21.7686 -21.7686 -21.6564 -21.6564 -21.6299 -21.6299 -20.7721 -20.7721 -20.7393 -20.7393 -8.3440 -8.3440 -5.7804 -5.7804 -5.4094 -5.4094 -5.3398 -5.3398 -3.6975 -3.6975 -3.3908 -3.3908 -3.2142 -3.2142 -3.1004 -3.1004 -2.9115 -2.9115 -1.8434 -1.8434 -1.5084 -1.5084 -1.3931 -1.3931 -1.1337 -1.1337 -1.0692 -1.0692 -0.9295 -0.9295 -0.2723 -0.2723 -0.2248 -0.2248 -0.1369 -0.1369 9.7557 9.7557 12.0301 12.0301 12.4217 12.4217 13.8030 13.8030 14.0290 14.0290 k = 0.6239-0.1797-0.1252 ( 10599 PWs) bands (ev): -41.3769 -41.3769 -23.8535 -23.8535 -21.7660 -21.7660 -21.6593 -21.6593 -21.6325 -21.6325 -20.7722 -20.7722 -20.7389 -20.7389 -8.3359 -8.3359 -5.7697 -5.7697 -5.4110 -5.4110 -5.3476 -5.3476 -3.6924 -3.6924 -3.3860 -3.3860 -3.2213 -3.2213 -3.0968 -3.0968 -2.9163 -2.9163 -1.8351 -1.8351 -1.5031 -1.5031 -1.3880 -1.3880 -1.1492 -1.1492 -1.0900 -1.0900 -0.9324 -0.9324 -0.2735 -0.2735 -0.2280 -0.2280 -0.1380 -0.1380 9.7842 9.7842 12.0563 12.0563 12.4273 12.4273 13.8066 13.8066 13.9630 13.9630 k = 0.6335-0.1694-0.1180 ( 10605 PWs) bands (ev): -41.3769 -41.3769 -23.8520 -23.8520 -21.7633 -21.7633 -21.6625 -21.6625 -21.6350 -21.6350 -20.7725 -20.7725 -20.7382 -20.7382 -8.3276 -8.3276 -5.7585 -5.7585 -5.4127 -5.4127 -5.3557 -5.3557 -3.6876 -3.6876 -3.3819 -3.3819 -3.2281 -3.2281 -3.0924 -3.0924 -2.9203 -2.9203 -1.8268 -1.8268 -1.4990 -1.4990 -1.3817 -1.3817 -1.1671 -1.1671 -1.1100 -1.1100 -0.9350 -0.9350 -0.2749 -0.2749 -0.2313 -0.2313 -0.1391 -0.1391 9.8137 9.8137 12.0842 12.0842 12.4326 12.4326 13.8087 13.8087 13.9003 13.9003 k = 0.6430-0.1592-0.1109 ( 10609 PWs) bands (ev): -41.3769 -41.3769 -23.8505 -23.8505 -21.7604 -21.7604 -21.6659 -21.6659 -21.6375 -21.6375 -20.7730 -20.7730 -20.7374 -20.7374 -8.3191 -8.3191 -5.7468 -5.7468 -5.4147 -5.4147 -5.3640 -5.3640 -3.6833 -3.6833 -3.3791 -3.3791 -3.2340 -3.2340 -3.0872 -3.0872 -2.9235 -2.9235 -1.8186 -1.8186 -1.4964 -1.4964 -1.3745 -1.3745 -1.1872 -1.1872 -1.1284 -1.1284 -0.9375 -0.9375 -0.2765 -0.2765 -0.2348 -0.2348 -0.1401 -0.1401 9.8442 9.8442 12.1135 12.1135 12.4376 12.4376 13.8021 13.8021 13.8481 13.8481 k = 0.6525-0.1489-0.1037 ( 10606 PWs) bands (ev): -41.3769 -41.3769 -23.8491 -23.8491 -21.7574 -21.7574 -21.6695 -21.6695 -21.6399 -21.6399 -20.7737 -20.7737 -20.7364 -20.7364 -8.3104 -8.3104 -5.7346 -5.7346 -5.4169 -5.4169 -5.3722 -5.3722 -3.6795 -3.6795 -3.3781 -3.3781 -3.2384 -3.2384 -3.0811 -3.0811 -2.9259 -2.9259 -1.8107 -1.8107 -1.4956 -1.4956 -1.3662 -1.3662 -1.2091 -1.2091 -1.1453 -1.1453 -0.9398 -0.9398 -0.2781 -0.2781 -0.2383 -0.2383 -0.1410 -0.1410 9.8752 9.8752 12.1440 12.1440 12.4420 12.4420 13.7624 13.7624 13.8313 13.8313 k = 0.6621-0.1387-0.0966 ( 10603 PWs) bands (ev): -41.3769 -41.3769 -23.8476 -23.8476 -21.7543 -21.7543 -21.6732 -21.6732 -21.6422 -21.6422 -20.7745 -20.7745 -20.7353 -20.7353 -8.3018 -8.3018 -5.7222 -5.7222 -5.4195 -5.4195 -5.3803 -5.3803 -3.6763 -3.6763 -3.3794 -3.3794 -3.2408 -3.2408 -3.0740 -3.0740 -2.9274 -2.9274 -1.8030 -1.8030 -1.4970 -1.4970 -1.3573 -1.3573 -1.2318 -1.2318 -1.1607 -1.1607 -0.9420 -0.9420 -0.2798 -0.2798 -0.2419 -0.2419 -0.1419 -0.1419 9.9065 9.9065 12.1755 12.1755 12.4458 12.4458 13.7083 13.7083 13.8316 13.8316 k = 0.6716-0.1284-0.0894 ( 10603 PWs) bands (ev): -41.3769 -41.3769 -23.8461 -23.8461 -21.7511 -21.7511 -21.6770 -21.6770 -21.6445 -21.6445 -20.7755 -20.7755 -20.7340 -20.7340 -8.2933 -8.2933 -5.7095 -5.7095 -5.4227 -5.4227 -5.3879 -5.3879 -3.6739 -3.6739 -3.3835 -3.3835 -3.2407 -3.2407 -3.0659 -3.0659 -2.9279 -2.9279 -1.7955 -1.7955 -1.5008 -1.5008 -1.3488 -1.3488 -1.2536 -1.2536 -1.1748 -1.1748 -0.9439 -0.9439 -0.2816 -0.2816 -0.2455 -0.2455 -0.1426 -0.1426 9.9378 9.9378 12.2075 12.2075 12.4490 12.4490 13.6549 13.6549 13.8342 13.8342 k = 0.6812-0.1182-0.0823 ( 10601 PWs) bands (ev): -41.3769 -41.3769 -23.8447 -23.8447 -21.7478 -21.7478 -21.6809 -21.6809 -21.6468 -21.6468 -20.7766 -20.7766 -20.7326 -20.7326 -8.2849 -8.2849 -5.6967 -5.6967 -5.4267 -5.4267 -5.3948 -5.3948 -3.6723 -3.6723 -3.3903 -3.3903 -3.2382 -3.2382 -3.0569 -3.0569 -2.9274 -2.9274 -1.7885 -1.7885 -1.5073 -1.5073 -1.3427 -1.3427 -1.2719 -1.2719 -1.1876 -1.1876 -0.9458 -0.9458 -0.2835 -0.2835 -0.2491 -0.2491 -0.1432 -0.1432 9.9687 9.9687 12.2395 12.2395 12.4517 12.4517 13.6043 13.6043 13.8372 13.8372 k = 0.6907-0.1079-0.0752 ( 10596 PWs) bands (ev): -41.3769 -41.3769 -23.8434 -23.8434 -21.7444 -21.7444 -21.6848 -21.6848 -21.6489 -21.6489 -20.7779 -20.7779 -20.7311 -20.7311 -8.2767 -8.2767 -5.6840 -5.6840 -5.4317 -5.4317 -5.4006 -5.4006 -3.6715 -3.6715 -3.3995 -3.3995 -3.2335 -3.2335 -3.0470 -3.0470 -2.9259 -2.9259 -1.7819 -1.7819 -1.5165 -1.5165 -1.3434 -1.3434 -1.2819 -1.2819 -1.1991 -1.1991 -0.9474 -0.9474 -0.2854 -0.2854 -0.2526 -0.2526 -0.1437 -0.1437 9.9989 9.9989 12.2703 12.2703 12.4546 12.4546 13.5574 13.5574 13.8404 13.8404 k = 0.7002-0.0976-0.0680 ( 10600 PWs) bands (ev): -41.3769 -41.3769 -23.8421 -23.8421 -21.7410 -21.7410 -21.6886 -21.6886 -21.6510 -21.6510 -20.7793 -20.7793 -20.7296 -20.7296 -8.2689 -8.2689 -5.6713 -5.6713 -5.4378 -5.4378 -5.4052 -5.4052 -3.6714 -3.6714 -3.4107 -3.4107 -3.2269 -3.2269 -3.0362 -3.0362 -2.9235 -2.9235 -1.7760 -1.7760 -1.5284 -1.5284 -1.3535 -1.3535 -1.2810 -1.2810 -1.2091 -1.2091 -0.9490 -0.9490 -0.2874 -0.2874 -0.2561 -0.2561 -0.1441 -0.1441 10.0280 10.0280 12.2981 12.2981 12.4591 12.4591 13.5146 13.5146 13.8436 13.8436 k = 0.7098-0.0874-0.0609 ( 10605 PWs) bands (ev): -41.3769 -41.3769 -23.8409 -23.8409 -21.7375 -21.7375 -21.6924 -21.6924 -21.6530 -21.6530 -20.7807 -20.7807 -20.7279 -20.7279 -8.2616 -8.2616 -5.6590 -5.6590 -5.4449 -5.4449 -5.4085 -5.4085 -3.6722 -3.6722 -3.4232 -3.4232 -3.2192 -3.2192 -3.0246 -3.0246 -2.9200 -2.9200 -1.7707 -1.7707 -1.5430 -1.5430 -1.3686 -1.3686 -1.2738 -1.2738 -1.2168 -1.2168 -0.9504 -0.9504 -0.2893 -0.2893 -0.2594 -0.2594 -0.1444 -0.1444 10.0556 10.0556 12.3202 12.3202 12.4677 12.4677 13.4762 13.4762 13.8469 13.8469 k = 0.7193-0.0771-0.0537 ( 10599 PWs) bands (ev): -41.3769 -41.3769 -23.8399 -23.8399 -21.7341 -21.7341 -21.6960 -21.6960 -21.6549 -21.6549 -20.7822 -20.7822 -20.7262 -20.7262 -8.2547 -8.2547 -5.6471 -5.6471 -5.4525 -5.4525 -5.4109 -5.4109 -3.6736 -3.6736 -3.4368 -3.4368 -3.2105 -3.2105 -3.0125 -3.0125 -2.9154 -2.9154 -1.7665 -1.7665 -1.5596 -1.5596 -1.3848 -1.3848 -1.2657 -1.2657 -1.2210 -1.2210 -0.9517 -0.9517 -0.2913 -0.2913 -0.2624 -0.2624 -0.1445 -0.1445 10.0814 10.0814 12.3333 12.3333 12.4834 12.4834 13.4424 13.4424 13.8504 13.8504 k = 0.7288-0.0669-0.0466 ( 10591 PWs) bands (ev): -41.3769 -41.3769 -23.8389 -23.8389 -21.7307 -21.7307 -21.6995 -21.6995 -21.6568 -21.6568 -20.7837 -20.7837 -20.7246 -20.7246 -8.2485 -8.2485 -5.6357 -5.6357 -5.4605 -5.4605 -5.4125 -5.4125 -3.6758 -3.6758 -3.4510 -3.4510 -3.2014 -3.2014 -2.9999 -2.9999 -2.9099 -2.9099 -1.7637 -1.7637 -1.5774 -1.5774 -1.4004 -1.4004 -1.2607 -1.2607 -1.2194 -1.2194 -0.9528 -0.9528 -0.2933 -0.2933 -0.2652 -0.2652 -0.1445 -0.1445 10.1050 10.1050 12.3361 12.3361 12.5072 12.5072 13.4131 13.4131 13.8543 13.8543 k = 0.7384-0.0566-0.0394 ( 10595 PWs) bands (ev): -41.3769 -41.3769 -23.8381 -23.8381 -21.7273 -21.7273 -21.7026 -21.7026 -21.6586 -21.6586 -20.7853 -20.7853 -20.7229 -20.7229 -8.2430 -8.2430 -5.6251 -5.6251 -5.4687 -5.4687 -5.4134 -5.4134 -3.6785 -3.6785 -3.4654 -3.4654 -3.1921 -3.1921 -2.9870 -2.9870 -2.9033 -2.9033 -1.7628 -1.7628 -1.5952 -1.5952 -1.4149 -1.4149 -1.2603 -1.2603 -1.2114 -1.2114 -0.9539 -0.9539 -0.2952 -0.2952 -0.2677 -0.2677 -0.1444 -0.1444 10.1258 10.1258 12.3304 12.3304 12.5374 12.5374 13.3883 13.3883 13.8589 13.8589 k = 0.7479-0.0464-0.0323 ( 10590 PWs) bands (ev): -41.3769 -41.3769 -23.8374 -23.8374 -21.7242 -21.7242 -21.7054 -21.7054 -21.6603 -21.6603 -20.7868 -20.7868 -20.7212 -20.7212 -8.2382 -8.2382 -5.6153 -5.6153 -5.4768 -5.4768 -5.4137 -5.4137 -3.6817 -3.6817 -3.4799 -3.4799 -3.1828 -3.1828 -2.9743 -2.9743 -2.8957 -2.8957 -1.7646 -1.7646 -1.6117 -1.6117 -1.4281 -1.4281 -1.2625 -1.2625 -1.1994 -1.1994 -0.9549 -0.9549 -0.2972 -0.2972 -0.2698 -0.2698 -0.1442 -0.1442 10.1436 10.1436 12.3186 12.3186 12.5718 12.5718 13.3676 13.3676 13.8645 13.8645 k = 0.7574-0.0361-0.0252 ( 10590 PWs) bands (ev): -41.3769 -41.3769 -23.8370 -23.8370 -21.7214 -21.7214 -21.7076 -21.7076 -21.6619 -21.6619 -20.7883 -20.7883 -20.7195 -20.7195 -8.2343 -8.2343 -5.6066 -5.6066 -5.4848 -5.4848 -5.4134 -5.4134 -3.6854 -3.6854 -3.4943 -3.4943 -3.1738 -3.1738 -2.9618 -2.9618 -2.8870 -2.8870 -1.7696 -1.7696 -1.6256 -1.6256 -1.4401 -1.4401 -1.2654 -1.2654 -1.1856 -1.1856 -0.9558 -0.9558 -0.2991 -0.2991 -0.2715 -0.2715 -0.1439 -0.1439 10.1579 10.1579 12.3026 12.3026 12.6085 12.6085 13.3507 13.3507 13.8714 13.8714 Writing output data file LiPF6.save init_run : 0.30s CPU 0.45s WALL ( 1 calls) electrons : 250.37s CPU 253.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 250.37s CPU 253.62s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.14s WALL ( 286 calls) cegterg : 227.55s CPU 229.68s WALL ( 343 calls) Called by sum_band: Called by *egterg: h_psi : 162.32s CPU 164.13s WALL ( 5935 calls) s_psi : 5.59s CPU 5.47s WALL ( 5935 calls) g_psi : 0.46s CPU 0.50s WALL ( 5306 calls) cdiaghg : 44.76s CPU 45.23s WALL ( 5592 calls) cegterg:over : 11.84s CPU 11.90s WALL ( 5306 calls) cegterg:upda : 11.38s CPU 11.36s WALL ( 5306 calls) cegterg:last : 6.00s CPU 6.10s WALL ( 915 calls) cdiaghg:chol : 2.54s CPU 2.62s WALL ( 5592 calls) cdiaghg:inve : 1.66s CPU 1.70s WALL ( 5592 calls) cdiaghg:para : 2.80s CPU 2.82s WALL ( 11184 calls) Called by h_psi: h_psi:vloc : 148.94s CPU 150.50s WALL ( 5935 calls) h_psi:vnl : 12.84s CPU 13.05s WALL ( 5935 calls) add_vuspsi : 5.63s CPU 5.88s WALL ( 5935 calls) General routines calbec : 7.17s CPU 7.15s WALL ( 5935 calls) fft : 0.01s CPU 0.02s WALL ( 15 calls) fftw : 141.54s CPU 143.00s WALL ( 691836 calls) davcio : 0.31s CPU 0.50s WALL ( 572 calls) Parallel routines fft_scatter : 43.83s CPU 44.63s WALL ( 691851 calls) PWSCF : 4m39.09s CPU 5m 3.76s WALL This run was terminated on: 18:10:58 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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