Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:18:18 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: ./AgBiS2.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D 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 95 38 10 2818 708 110 Max 96 39 11 2819 726 115 Sum 3425 1381 393 101457 25941 4079 bravais-lattice index = 14 lattice parameter (alat) = 12.8009 a.u. unit-cell volume = 615.0602 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.800920 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.819501 celldm(5)= 0.819501 celldm(6)= 0.819501 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.819501 0.573077 0.000000 ) a(3) = ( 0.819501 0.258113 0.511659 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.430001 -0.880271 ) b(2) = ( 0.000000 1.744965 -0.880271 ) b(3) = ( 0.000000 0.000000 1.954426 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 S 6.00 32.06500 S( 1.00) Bi 15.00 208.98040 Bi( 1.00) Ag 11.00 107.86820 Ag( 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= 304 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 2) = ( 0.0108696 -0.0155435 -0.0095682), wk = 0.0032895 k( 3) = ( 0.0217391 -0.0310870 -0.0191363), wk = 0.0032895 k( 4) = ( 0.0326087 -0.0466305 -0.0287045), wk = 0.0032895 k( 5) = ( 0.0434783 -0.0621740 -0.0382727), wk = 0.0032895 k( 6) = ( 0.0543478 -0.0777175 -0.0478408), wk = 0.0032895 k( 7) = ( 0.0652174 -0.0932609 -0.0574090), wk = 0.0032895 k( 8) = ( 0.0760870 -0.1088044 -0.0669772), wk = 0.0032895 k( 9) = ( 0.0869565 -0.1243479 -0.0765453), wk = 0.0032895 k( 10) = ( 0.0978261 -0.1398914 -0.0861135), wk = 0.0032895 k( 11) = ( 0.1086957 -0.1554349 -0.0956817), wk = 0.0032895 k( 12) = ( 0.1195652 -0.1709784 -0.1052498), wk = 0.0032895 k( 13) = ( 0.1304348 -0.1865219 -0.1148180), wk = 0.0032895 k( 14) = ( 0.1413043 -0.2020654 -0.1243862), wk = 0.0032895 k( 15) = ( 0.1521739 -0.2176089 -0.1339543), wk = 0.0032895 k( 16) = ( 0.1630435 -0.2331524 -0.1435225), wk = 0.0032895 k( 17) = ( 0.1739130 -0.2486959 -0.1530906), wk = 0.0032895 k( 18) = ( 0.1847826 -0.2642394 -0.1626588), wk = 0.0032895 k( 19) = ( 0.1956522 -0.2797828 -0.1722270), wk = 0.0032895 k( 20) = ( 0.2065217 -0.2953263 -0.1817951), wk = 0.0032895 k( 21) = ( 0.2173913 -0.3108698 -0.1913633), wk = 0.0032895 k( 22) = ( 0.2282609 -0.3264133 -0.2009315), wk = 0.0032895 k( 23) = ( 0.2391304 -0.3419568 -0.2104996), wk = 0.0032895 k( 24) = ( 0.2500000 -0.3575003 -0.2200678), wk = 0.0032895 k( 25) = ( 0.2608696 -0.3730438 -0.2296360), wk = 0.0032895 k( 26) = ( 0.2717391 -0.3885873 -0.2392041), wk = 0.0032895 k( 27) = ( 0.2826087 -0.4041308 -0.2487723), wk = 0.0032895 k( 28) = ( 0.2934783 -0.4196743 -0.2583405), wk = 0.0032895 k( 29) = ( 0.3043478 -0.4352178 -0.2679086), wk = 0.0032895 k( 30) = ( 0.3152174 -0.4507613 -0.2774768), wk = 0.0032895 k( 31) = ( 0.3260870 -0.4663048 -0.2870450), wk = 0.0032895 k( 32) = ( 0.3369565 -0.4818482 -0.2966131), wk = 0.0032895 k( 33) = ( 0.3478261 -0.4973917 -0.3061813), wk = 0.0032895 k( 34) = ( 0.3586956 -0.5129352 -0.3157495), wk = 0.0032895 k( 35) = ( 0.3695652 -0.5284787 -0.3253176), wk = 0.0032895 k( 36) = ( 0.3804348 -0.5440222 -0.3348858), wk = 0.0032895 k( 37) = ( 0.3913044 -0.5595657 -0.3444540), wk = 0.0032895 k( 38) = ( 0.4021739 -0.5751092 -0.3540221), wk = 0.0032895 k( 39) = ( 0.4130435 -0.5906527 -0.3635903), wk = 0.0032895 k( 40) = ( 0.4239130 -0.6061962 -0.3731584), wk = 0.0032895 k( 41) = ( 0.4347826 -0.6217397 -0.3827266), wk = 0.0032895 k( 42) = ( 0.4456522 -0.6372831 -0.3922948), wk = 0.0032895 k( 43) = ( 0.4565217 -0.6528266 -0.4018629), wk = 0.0032895 k( 44) = ( 0.4673913 -0.6683701 -0.4114311), wk = 0.0032895 k( 45) = ( 0.4782609 -0.6839136 -0.4209993), wk = 0.0032895 k( 46) = ( 0.4891304 -0.6994571 -0.4305674), wk = 0.0032895 k( 47) = ( 0.5000000 -0.7150006 -0.4401356), wk = 0.0032895 k( 48) = ( 0.5000000 -0.7150006 -0.4401356), wk = 0.0032895 k( 49) = ( 0.5000000 -0.7039802 -0.4580382), wk = 0.0032895 k( 50) = ( 0.5000000 -0.6929599 -0.4759408), wk = 0.0032895 k( 51) = ( 0.5000000 -0.6819395 -0.4938433), wk = 0.0032895 k( 52) = ( 0.5000000 -0.6709192 -0.5117459), wk = 0.0032895 k( 53) = ( 0.5000000 -0.6598988 -0.5296485), wk = 0.0032895 k( 54) = ( 0.5000000 -0.6488785 -0.5475511), wk = 0.0032895 k( 55) = ( 0.5000000 -0.6378581 -0.5654537), wk = 0.0032895 k( 56) = ( 0.5000000 -0.6268377 -0.5833562), wk = 0.0032895 k( 57) = ( 0.5000000 -0.6158174 -0.6012588), wk = 0.0032895 k( 58) = ( 0.5000000 -0.6047970 -0.6191614), wk = 0.0032895 k( 59) = ( 0.5000000 -0.5937767 -0.6370640), wk = 0.0032895 k( 60) = ( 0.5000000 -0.5827563 -0.6549666), wk = 0.0032895 k( 61) = ( 0.5000000 -0.5717359 -0.6728692), wk = 0.0032895 k( 62) = ( 0.5000000 -0.5607156 -0.6907717), wk = 0.0032895 k( 63) = ( 0.5000000 -0.5496952 -0.7086743), wk = 0.0032895 k( 64) = ( 0.5000000 -0.5386749 -0.7265769), wk = 0.0032895 k( 65) = ( 0.5000000 -0.5276545 -0.7444795), wk = 0.0032895 k( 66) = ( 0.5000000 -0.5166342 -0.7623820), wk = 0.0032895 k( 67) = ( 0.5000000 -0.5056138 -0.7802846), wk = 0.0032895 k( 68) = ( 0.5000000 -0.4945934 -0.7981872), wk = 0.0032895 k( 69) = ( 0.5000000 -0.4835731 -0.8160898), wk = 0.0032895 k( 70) = ( 0.5000000 -0.4725527 -0.8339923), wk = 0.0032895 k( 71) = ( 0.5000000 -0.4615324 -0.8518949), wk = 0.0032895 k( 72) = ( 0.5000000 -0.4505120 -0.8697975), wk = 0.0032895 k( 73) = ( 0.5000000 -0.4394917 -0.8877001), wk = 0.0032895 k( 74) = ( 0.5000000 -0.4284713 -0.9056027), wk = 0.0032895 k( 75) = ( 0.5000000 -0.4174509 -0.9235053), wk = 0.0032895 k( 76) = ( 0.5000000 -0.4064306 -0.9414078), wk = 0.0032895 k( 77) = ( 0.5000000 -0.3954102 -0.9593104), wk = 0.0032895 k( 78) = ( 0.5000000 -0.3843899 -0.9772130), wk = 0.0032895 k( 79) = ( 0.8105345 -0.2865827 -0.7833294), wk = 0.0032895 k( 80) = ( 0.8040650 -0.2773314 -0.7649905), wk = 0.0032895 k( 81) = ( 0.7975955 -0.2680800 -0.7466515), wk = 0.0032895 k( 82) = ( 0.7911261 -0.2588287 -0.7283125), wk = 0.0032895 k( 83) = ( 0.7846566 -0.2495773 -0.7099735), wk = 0.0032895 k( 84) = ( 0.7781871 -0.2403260 -0.6916345), wk = 0.0032895 k( 85) = ( 0.7717177 -0.2310746 -0.6732955), wk = 0.0032895 k( 86) = ( 0.7652482 -0.2218233 -0.6549566), wk = 0.0032895 k( 87) = ( 0.7587787 -0.2125719 -0.6366176), wk = 0.0032895 k( 88) = ( 0.7523093 -0.2033206 -0.6182786), wk = 0.0032895 k( 89) = ( 0.7458398 -0.1940692 -0.5999396), wk = 0.0032895 k( 90) = ( 0.7393703 -0.1848179 -0.5816006), wk = 0.0032895 k( 91) = ( 0.7329009 -0.1755665 -0.5632616), wk = 0.0032895 k( 92) = ( 0.7264314 -0.1663152 -0.5449227), wk = 0.0032895 k( 93) = ( 0.7199619 -0.1570638 -0.5265837), wk = 0.0032895 k( 94) = ( 0.7134924 -0.1478125 -0.5082447), wk = 0.0032895 k( 95) = ( 0.7070230 -0.1385611 -0.4899057), wk = 0.0032895 k( 96) = ( 0.7005535 -0.1293098 -0.4715667), wk = 0.0032895 k( 97) = ( 0.6940840 -0.1200584 -0.4532277), wk = 0.0032895 k( 98) = ( 0.6876146 -0.1108071 -0.4348887), wk = 0.0032895 k( 99) = ( 0.6811451 -0.1015557 -0.4165498), wk = 0.0032895 k( 100) = ( 0.6746756 -0.0923044 -0.3982108), wk = 0.0032895 k( 101) = ( 0.6682062 -0.0830531 -0.3798718), wk = 0.0032895 k( 102) = ( 0.6617367 -0.0738017 -0.3615328), wk = 0.0032895 k( 103) = ( 0.6552672 -0.0645504 -0.3431938), wk = 0.0032895 k( 104) = ( 0.6487978 -0.0552990 -0.3248548), wk = 0.0032895 k( 105) = ( 0.6423283 -0.0460477 -0.3065159), wk = 0.0032895 k( 106) = ( 0.6358588 -0.0367963 -0.2881769), wk = 0.0032895 k( 107) = ( 0.6293894 -0.0275450 -0.2698379), wk = 0.0032895 k( 108) = ( 0.6229199 -0.0182936 -0.2514989), wk = 0.0032895 k( 109) = ( 0.6164504 -0.0090423 -0.2331599), wk = 0.0032895 k( 110) = ( 0.6099810 0.0002091 -0.2148209), wk = 0.0032895 k( 111) = ( 0.6035115 0.0094604 -0.1964820), wk = 0.0032895 k( 112) = ( 0.5970420 0.0187118 -0.1781430), wk = 0.0032895 k( 113) = ( 0.5905726 0.0279631 -0.1598040), wk = 0.0032895 k( 114) = ( 0.5841031 0.0372145 -0.1414650), wk = 0.0032895 k( 115) = ( 0.5776336 0.0464658 -0.1231260), wk = 0.0032895 k( 116) = ( 0.5711641 0.0557172 -0.1047870), wk = 0.0032895 k( 117) = ( 0.5646947 0.0649685 -0.0864481), wk = 0.0032895 k( 118) = ( 0.5582252 0.0742199 -0.0681091), wk = 0.0032895 k( 119) = ( 0.5517557 0.0834712 -0.0497701), wk = 0.0032895 k( 120) = ( 0.5452863 0.0927225 -0.0314311), wk = 0.0032895 k( 121) = ( 0.5388168 0.1019739 -0.0130921), wk = 0.0032895 k( 122) = ( 0.5323473 0.1112252 0.0052469), wk = 0.0032895 k( 123) = ( 0.5258779 0.1204766 0.0235858), wk = 0.0032895 k( 124) = ( 0.5194084 0.1297279 0.0419248), wk = 0.0032895 k( 125) = ( 0.5129389 0.1389793 0.0602638), wk = 0.0032895 k( 126) = ( 0.5064695 0.1482306 0.0786028), wk = 0.0032895 k( 127) = ( 0.5000000 0.1574820 0.0969418), wk = 0.0032895 k( 128) = ( 0.5000000 0.1574820 0.0969418), wk = 0.0032895 k( 129) = ( 0.4800000 0.1511827 0.0930641), wk = 0.0032895 k( 130) = ( 0.4600000 0.1448834 0.0891864), wk = 0.0032895 k( 131) = ( 0.4400000 0.1385841 0.0853088), wk = 0.0032895 k( 132) = ( 0.4200000 0.1322849 0.0814311), wk = 0.0032895 k( 133) = ( 0.4000000 0.1259856 0.0775534), wk = 0.0032895 k( 134) = ( 0.3800000 0.1196863 0.0736757), wk = 0.0032895 k( 135) = ( 0.3600000 0.1133870 0.0697981), wk = 0.0032895 k( 136) = ( 0.3400000 0.1070877 0.0659204), wk = 0.0032895 k( 137) = ( 0.3200000 0.1007885 0.0620427), wk = 0.0032895 k( 138) = ( 0.3000000 0.0944892 0.0581651), wk = 0.0032895 k( 139) = ( 0.2800000 0.0881899 0.0542874), wk = 0.0032895 k( 140) = ( 0.2600000 0.0818906 0.0504097), wk = 0.0032895 k( 141) = ( 0.2400000 0.0755914 0.0465321), wk = 0.0032895 k( 142) = ( 0.2200000 0.0692921 0.0426544), wk = 0.0032895 k( 143) = ( 0.2000000 0.0629928 0.0387767), wk = 0.0032895 k( 144) = ( 0.1800000 0.0566935 0.0348990), wk = 0.0032895 k( 145) = ( 0.1600000 0.0503942 0.0310214), wk = 0.0032895 k( 146) = ( 0.1400000 0.0440950 0.0271437), wk = 0.0032895 k( 147) = ( 0.1200000 0.0377957 0.0232660), wk = 0.0032895 k( 148) = ( 0.1000000 0.0314964 0.0193884), wk = 0.0032895 k( 149) = ( 0.0800000 0.0251971 0.0155107), wk = 0.0032895 k( 150) = ( 0.0600000 0.0188978 0.0116330), wk = 0.0032895 k( 151) = ( 0.0400000 0.0125986 0.0077553), wk = 0.0032895 k( 152) = ( 0.0200000 0.0062993 0.0038777), wk = 0.0032895 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 155) = ( 0.0063839 -0.0091290 -0.0180965), wk = 0.0032895 k( 156) = ( 0.0127679 -0.0182581 -0.0361931), wk = 0.0032895 k( 157) = ( 0.0191518 -0.0273871 -0.0542896), wk = 0.0032895 k( 158) = ( 0.0255358 -0.0365162 -0.0723861), wk = 0.0032895 k( 159) = ( 0.0319197 -0.0456452 -0.0904827), wk = 0.0032895 k( 160) = ( 0.0383036 -0.0547743 -0.1085792), wk = 0.0032895 k( 161) = ( 0.0446876 -0.0639033 -0.1266758), wk = 0.0032895 k( 162) = ( 0.0510715 -0.0730323 -0.1447723), wk = 0.0032895 k( 163) = ( 0.0574555 -0.0821614 -0.1628688), wk = 0.0032895 k( 164) = ( 0.0638394 -0.0912904 -0.1809654), wk = 0.0032895 k( 165) = ( 0.0702233 -0.1004195 -0.1990619), wk = 0.0032895 k( 166) = ( 0.0766073 -0.1095485 -0.2171584), wk = 0.0032895 k( 167) = ( 0.0829912 -0.1186775 -0.2352550), wk = 0.0032895 k( 168) = ( 0.0893752 -0.1278066 -0.2533515), wk = 0.0032895 k( 169) = ( 0.0957591 -0.1369356 -0.2714481), wk = 0.0032895 k( 170) = ( 0.1021430 -0.1460647 -0.2895446), wk = 0.0032895 k( 171) = ( 0.1085270 -0.1551937 -0.3076411), wk = 0.0032895 k( 172) = ( 0.1149109 -0.1643228 -0.3257377), wk = 0.0032895 k( 173) = ( 0.1212949 -0.1734518 -0.3438342), wk = 0.0032895 k( 174) = ( 0.1276788 -0.1825808 -0.3619307), wk = 0.0032895 k( 175) = ( 0.1340627 -0.1917099 -0.3800273), wk = 0.0032895 k( 176) = ( 0.1404467 -0.2008389 -0.3981238), wk = 0.0032895 k( 177) = ( 0.1468306 -0.2099680 -0.4162203), wk = 0.0032895 k( 178) = ( 0.1532146 -0.2190970 -0.4343169), wk = 0.0032895 k( 179) = ( 0.1595985 -0.2282260 -0.4524134), wk = 0.0032895 k( 180) = ( 0.1659824 -0.2373551 -0.4705100), wk = 0.0032895 k( 181) = ( 0.1723664 -0.2464841 -0.4886065), wk = 0.0032895 k( 182) = ( 0.1787503 -0.2556132 -0.5067030), wk = 0.0032895 k( 183) = ( 0.1851343 -0.2647422 -0.5247996), wk = 0.0032895 k( 184) = ( 0.1915182 -0.2738713 -0.5428961), wk = 0.0032895 k( 185) = ( 0.1979021 -0.2830003 -0.5609926), wk = 0.0032895 k( 186) = ( 0.2042861 -0.2921293 -0.5790892), wk = 0.0032895 k( 187) = ( 0.2106700 -0.3012584 -0.5971857), wk = 0.0032895 k( 188) = ( 0.2170540 -0.3103874 -0.6152823), wk = 0.0032895 k( 189) = ( 0.2234379 -0.3195165 -0.6333788), wk = 0.0032895 k( 190) = ( 0.2298218 -0.3286455 -0.6514753), wk = 0.0032895 k( 191) = ( 0.2362058 -0.3377746 -0.6695719), wk = 0.0032895 k( 192) = ( 0.2425897 -0.3469036 -0.6876684), wk = 0.0032895 k( 193) = ( 0.2489737 -0.3560326 -0.7057649), wk = 0.0032895 k( 194) = ( 0.2553576 -0.3651617 -0.7238615), wk = 0.0032895 k( 195) = ( 0.2617415 -0.3742907 -0.7419580), wk = 0.0032895 k( 196) = ( 0.2681255 -0.3834198 -0.7600545), wk = 0.0032895 k( 197) = ( 0.2745094 -0.3925488 -0.7781511), wk = 0.0032895 k( 198) = ( 0.2808934 -0.4016778 -0.7962476), wk = 0.0032895 k( 199) = ( 0.2872773 -0.4108069 -0.8143442), wk = 0.0032895 k( 200) = ( 0.2936612 -0.4199359 -0.8324407), wk = 0.0032895 k( 201) = ( 0.3000452 -0.4290650 -0.8505372), wk = 0.0032895 k( 202) = ( 0.3064291 -0.4381940 -0.8686338), wk = 0.0032895 k( 203) = ( 0.3128131 -0.4473231 -0.8867303), wk = 0.0032895 k( 204) = ( 0.3191970 -0.4564521 -0.9048268), wk = 0.0032895 k( 205) = ( 0.3255809 -0.4655811 -0.9229234), wk = 0.0032895 k( 206) = ( 0.3319649 -0.4747102 -0.9410199), wk = 0.0032895 k( 207) = ( 0.3383488 -0.4838392 -0.9591164), wk = 0.0032895 k( 208) = ( 0.3447328 -0.4929683 -0.9772130), wk = 0.0032895 k( 209) = ( 0.6552672 -0.3354863 -0.8802712), wk = 0.0032895 k( 210) = ( 0.6487978 -0.3149459 -0.8802712), wk = 0.0032895 k( 211) = ( 0.6423283 -0.2944056 -0.8802712), wk = 0.0032895 k( 212) = ( 0.6358588 -0.2738652 -0.8802712), wk = 0.0032895 k( 213) = ( 0.6293894 -0.2533249 -0.8802712), wk = 0.0032895 k( 214) = ( 0.6229199 -0.2327846 -0.8802712), wk = 0.0032895 k( 215) = ( 0.6164504 -0.2122442 -0.8802712), wk = 0.0032895 k( 216) = ( 0.6099810 -0.1917039 -0.8802712), wk = 0.0032895 k( 217) = ( 0.6035115 -0.1711635 -0.8802712), wk = 0.0032895 k( 218) = ( 0.5970420 -0.1506232 -0.8802712), wk = 0.0032895 k( 219) = ( 0.5905726 -0.1300829 -0.8802712), wk = 0.0032895 k( 220) = ( 0.5841031 -0.1095425 -0.8802712), wk = 0.0032895 k( 221) = ( 0.5776336 -0.0890022 -0.8802712), wk = 0.0032895 k( 222) = ( 0.5711641 -0.0684618 -0.8802712), wk = 0.0032895 k( 223) = ( 0.5646947 -0.0479215 -0.8802712), wk = 0.0032895 k( 224) = ( 0.5582252 -0.0273811 -0.8802712), wk = 0.0032895 k( 225) = ( 0.5517557 -0.0068408 -0.8802712), wk = 0.0032895 k( 226) = ( 0.5452863 0.0136996 -0.8802712), wk = 0.0032895 k( 227) = ( 0.5388168 0.0342399 -0.8802712), wk = 0.0032895 k( 228) = ( 0.5323473 0.0547803 -0.8802712), wk = 0.0032895 k( 229) = ( 0.5258779 0.0753206 -0.8802712), wk = 0.0032895 k( 230) = ( 0.5194084 0.0958610 -0.8802712), wk = 0.0032895 k( 231) = ( 0.5129389 0.1164013 -0.8802712), wk = 0.0032895 k( 232) = ( 0.5064695 0.1369416 -0.8802712), wk = 0.0032895 k( 233) = ( 0.5000000 0.1574820 -0.8802712), wk = 0.0032895 k( 234) = ( 0.5000000 0.1574820 -0.8802712), wk = 0.0032895 k( 235) = ( 0.5172519 0.1629157 -0.8694999), wk = 0.0032895 k( 236) = ( 0.5345038 0.1683494 -0.8587286), wk = 0.0032895 k( 237) = ( 0.5517557 0.1737832 -0.8479573), wk = 0.0032895 k( 238) = ( 0.5690077 0.1792169 -0.8371860), wk = 0.0032895 k( 239) = ( 0.5862596 0.1846506 -0.8264147), wk = 0.0032895 k( 240) = ( 0.6035115 0.1900844 -0.8156434), wk = 0.0032895 k( 241) = ( 0.6207634 0.1955181 -0.8048721), wk = 0.0032895 k( 242) = ( 0.6380153 0.2009518 -0.7941007), wk = 0.0032895 k( 243) = ( 0.6552672 0.2063856 -0.7833294), wk = 0.0032895 k( 244) = ( 0.6552672 0.2063856 -0.7833294), wk = 0.0032895 k( 245) = ( 0.6515704 0.2052212 -0.7623706), wk = 0.0032895 k( 246) = ( 0.6478736 0.2040568 -0.7414118), wk = 0.0032895 k( 247) = ( 0.6441767 0.2028925 -0.7204529), wk = 0.0032895 k( 248) = ( 0.6404799 0.2017281 -0.6994941), wk = 0.0032895 k( 249) = ( 0.6367830 0.2005637 -0.6785352), wk = 0.0032895 k( 250) = ( 0.6330862 0.1993993 -0.6575764), wk = 0.0032895 k( 251) = ( 0.6293894 0.1982350 -0.6366176), wk = 0.0032895 k( 252) = ( 0.6256925 0.1970706 -0.6156587), wk = 0.0032895 k( 253) = ( 0.6219957 0.1959062 -0.5946999), wk = 0.0032895 k( 254) = ( 0.6182988 0.1947419 -0.5737411), wk = 0.0032895 k( 255) = ( 0.6146020 0.1935775 -0.5527822), wk = 0.0032895 k( 256) = ( 0.6109052 0.1924131 -0.5318234), wk = 0.0032895 k( 257) = ( 0.6072083 0.1912487 -0.5108645), wk = 0.0032895 k( 258) = ( 0.6035115 0.1900844 -0.4899057), wk = 0.0032895 k( 259) = ( 0.5998147 0.1889200 -0.4689469), wk = 0.0032895 k( 260) = ( 0.5961178 0.1877556 -0.4479880), wk = 0.0032895 k( 261) = ( 0.5924210 0.1865913 -0.4270292), wk = 0.0032895 k( 262) = ( 0.5887241 0.1854269 -0.4060703), wk = 0.0032895 k( 263) = ( 0.5850273 0.1842625 -0.3851115), wk = 0.0032895 k( 264) = ( 0.5813305 0.1830981 -0.3641527), wk = 0.0032895 k( 265) = ( 0.5776336 0.1819338 -0.3431938), wk = 0.0032895 k( 266) = ( 0.5739368 0.1807694 -0.3222350), wk = 0.0032895 k( 267) = ( 0.5702399 0.1796050 -0.3012761), wk = 0.0032895 k( 268) = ( 0.5665431 0.1784407 -0.2803173), wk = 0.0032895 k( 269) = ( 0.5628463 0.1772763 -0.2593585), wk = 0.0032895 k( 270) = ( 0.5591494 0.1761119 -0.2383996), wk = 0.0032895 k( 271) = ( 0.5554526 0.1749475 -0.2174408), wk = 0.0032895 k( 272) = ( 0.5517557 0.1737832 -0.1964820), wk = 0.0032895 k( 273) = ( 0.5480589 0.1726188 -0.1755231), wk = 0.0032895 k( 274) = ( 0.5443621 0.1714544 -0.1545643), wk = 0.0032895 k( 275) = ( 0.5406652 0.1702901 -0.1336055), wk = 0.0032895 k( 276) = ( 0.5369684 0.1691257 -0.1126466), wk = 0.0032895 k( 277) = ( 0.5332716 0.1679613 -0.0916878), wk = 0.0032895 k( 278) = ( 0.5295747 0.1667969 -0.0707289), wk = 0.0032895 k( 279) = ( 0.5258779 0.1656326 -0.0497701), wk = 0.0032895 k( 280) = ( 0.5221810 0.1644682 -0.0288113), wk = 0.0032895 k( 281) = ( 0.5184842 0.1633038 -0.0078524), wk = 0.0032895 k( 282) = ( 0.5147874 0.1621395 0.0131064), wk = 0.0032895 k( 283) = ( 0.5110905 0.1609751 0.0340653), wk = 0.0032895 k( 284) = ( 0.5073937 0.1598107 0.0550241), wk = 0.0032895 k( 285) = ( 0.5036968 0.1586464 0.0759829), wk = 0.0032895 k( 286) = ( 0.5000000 0.1574820 0.0969418), wk = 0.0032895 k( 287) = ( 0.5000000 -0.7150006 -0.4401356), wk = 0.0032895 k( 288) = ( 0.5182667 -0.7057370 -0.4344331), wk = 0.0032895 k( 289) = ( 0.5365335 -0.6964733 -0.4287307), wk = 0.0032895 k( 290) = ( 0.5548002 -0.6872097 -0.4230282), wk = 0.0032895 k( 291) = ( 0.5730669 -0.6779460 -0.4173258), wk = 0.0032895 k( 292) = ( 0.5913337 -0.6686824 -0.4116233), wk = 0.0032895 k( 293) = ( 0.6096004 -0.6594187 -0.4059209), wk = 0.0032895 k( 294) = ( 0.6278671 -0.6501551 -0.4002184), wk = 0.0032895 k( 295) = ( 0.6461339 -0.6408914 -0.3945159), wk = 0.0032895 k( 296) = ( 0.6644006 -0.6316278 -0.3888135), wk = 0.0032895 k( 297) = ( 0.6826673 -0.6223641 -0.3831110), wk = 0.0032895 k( 298) = ( 0.7009341 -0.6131005 -0.3774086), wk = 0.0032895 k( 299) = ( 0.7192008 -0.6038369 -0.3717061), wk = 0.0032895 k( 300) = ( 0.7374675 -0.5945732 -0.3660037), wk = 0.0032895 k( 301) = ( 0.7557343 -0.5853096 -0.3603012), wk = 0.0032895 k( 302) = ( 0.7740010 -0.5760459 -0.3545987), wk = 0.0032895 k( 303) = ( 0.7922677 -0.5667823 -0.3488963), wk = 0.0032895 k( 304) = ( 0.8105345 -0.5575186 -0.3431938), wk = 0.0032895 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 2) = ( 0.0108696 0.0000000 0.0000000), wk = 0.0032895 k( 3) = ( 0.0217391 0.0000000 0.0000000), wk = 0.0032895 k( 4) = ( 0.0326087 -0.0000000 0.0000000), wk = 0.0032895 k( 5) = ( 0.0434783 0.0000000 0.0000000), wk = 0.0032895 k( 6) = ( 0.0543478 0.0000000 0.0000000), wk = 0.0032895 k( 7) = ( 0.0652174 0.0000000 0.0000000), wk = 0.0032895 k( 8) = ( 0.0760870 0.0000000 0.0000000), wk = 0.0032895 k( 9) = ( 0.0869565 0.0000000 0.0000000), wk = 0.0032895 k( 10) = ( 0.0978261 0.0000000 0.0000000), wk = 0.0032895 k( 11) = ( 0.1086957 0.0000000 0.0000000), wk = 0.0032895 k( 12) = ( 0.1195652 -0.0000000 -0.0000000), wk = 0.0032895 k( 13) = ( 0.1304348 0.0000000 0.0000000), wk = 0.0032895 k( 14) = ( 0.1413043 0.0000000 0.0000000), wk = 0.0032895 k( 15) = ( 0.1521739 -0.0000000 0.0000000), wk = 0.0032895 k( 16) = ( 0.1630435 -0.0000000 -0.0000000), wk = 0.0032895 k( 17) = ( 0.1739130 0.0000000 0.0000000), wk = 0.0032895 k( 18) = ( 0.1847826 -0.0000000 0.0000000), wk = 0.0032895 k( 19) = ( 0.1956522 0.0000000 0.0000000), wk = 0.0032895 k( 20) = ( 0.2065217 -0.0000000 -0.0000000), wk = 0.0032895 k( 21) = ( 0.2173913 0.0000000 0.0000000), wk = 0.0032895 k( 22) = ( 0.2282609 0.0000000 0.0000000), wk = 0.0032895 k( 23) = ( 0.2391304 0.0000000 0.0000000), wk = 0.0032895 k( 24) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0032895 k( 25) = ( 0.2608696 0.0000000 0.0000000), wk = 0.0032895 k( 26) = ( 0.2717391 0.0000000 0.0000000), wk = 0.0032895 k( 27) = ( 0.2826087 0.0000000 0.0000000), wk = 0.0032895 k( 28) = ( 0.2934783 0.0000000 0.0000000), wk = 0.0032895 k( 29) = ( 0.3043478 0.0000000 0.0000000), wk = 0.0032895 k( 30) = ( 0.3152174 0.0000000 0.0000000), wk = 0.0032895 k( 31) = ( 0.3260870 -0.0000000 -0.0000000), wk = 0.0032895 k( 32) = ( 0.3369565 0.0000000 0.0000000), wk = 0.0032895 k( 33) = ( 0.3478261 0.0000000 0.0000000), wk = 0.0032895 k( 34) = ( 0.3586956 -0.0000000 0.0000000), wk = 0.0032895 k( 35) = ( 0.3695652 -0.0000000 0.0000000), wk = 0.0032895 k( 36) = ( 0.3804348 0.0000000 0.0000000), wk = 0.0032895 k( 37) = ( 0.3913044 0.0000000 -0.0000000), wk = 0.0032895 k( 38) = ( 0.4021739 0.0000000 0.0000000), wk = 0.0032895 k( 39) = ( 0.4130435 -0.0000000 -0.0000000), wk = 0.0032895 k( 40) = ( 0.4239130 0.0000000 0.0000000), wk = 0.0032895 k( 41) = ( 0.4347826 0.0000000 0.0000000), wk = 0.0032895 k( 42) = ( 0.4456522 -0.0000000 0.0000000), wk = 0.0032895 k( 43) = ( 0.4565217 0.0000000 0.0000000), wk = 0.0032895 k( 44) = ( 0.4673913 -0.0000000 -0.0000000), wk = 0.0032895 k( 45) = ( 0.4782609 0.0000000 0.0000000), wk = 0.0032895 k( 46) = ( 0.4891304 0.0000000 0.0000000), wk = 0.0032895 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032895 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032895 k( 49) = ( 0.5000000 0.0063155 -0.0063155), wk = 0.0032895 k( 50) = ( 0.5000000 0.0126310 -0.0126310), wk = 0.0032895 k( 51) = ( 0.5000000 0.0189466 -0.0189465), wk = 0.0032895 k( 52) = ( 0.5000000 0.0252621 -0.0252621), wk = 0.0032895 k( 53) = ( 0.5000000 0.0315776 -0.0315776), wk = 0.0032895 k( 54) = ( 0.5000000 0.0378931 -0.0378931), wk = 0.0032895 k( 55) = ( 0.5000000 0.0442086 -0.0442086), wk = 0.0032895 k( 56) = ( 0.5000000 0.0505241 -0.0505241), wk = 0.0032895 k( 57) = ( 0.5000000 0.0568397 -0.0568397), wk = 0.0032895 k( 58) = ( 0.5000000 0.0631552 -0.0631552), wk = 0.0032895 k( 59) = ( 0.5000000 0.0694707 -0.0694707), wk = 0.0032895 k( 60) = ( 0.5000000 0.0757862 -0.0757862), wk = 0.0032895 k( 61) = ( 0.5000000 0.0821017 -0.0821017), wk = 0.0032895 k( 62) = ( 0.5000000 0.0884172 -0.0884172), wk = 0.0032895 k( 63) = ( 0.5000000 0.0947328 -0.0947328), wk = 0.0032895 k( 64) = ( 0.5000000 0.1010483 -0.1010483), wk = 0.0032895 k( 65) = ( 0.5000000 0.1073638 -0.1073638), wk = 0.0032895 k( 66) = ( 0.5000000 0.1136793 -0.1136793), wk = 0.0032895 k( 67) = ( 0.5000000 0.1199948 -0.1199948), wk = 0.0032895 k( 68) = ( 0.5000000 0.1263104 -0.1263103), wk = 0.0032895 k( 69) = ( 0.5000000 0.1326259 -0.1326259), wk = 0.0032895 k( 70) = ( 0.5000000 0.1389414 -0.1389414), wk = 0.0032895 k( 71) = ( 0.5000000 0.1452569 -0.1452569), wk = 0.0032895 k( 72) = ( 0.5000000 0.1515724 -0.1515724), wk = 0.0032895 k( 73) = ( 0.5000000 0.1578879 -0.1578879), wk = 0.0032895 k( 74) = ( 0.5000000 0.1642035 -0.1642034), wk = 0.0032895 k( 75) = ( 0.5000000 0.1705190 -0.1705190), wk = 0.0032895 k( 76) = ( 0.5000000 0.1768345 -0.1768345), wk = 0.0032895 k( 77) = ( 0.5000000 0.1831500 -0.1831500), wk = 0.0032895 k( 78) = ( 0.5000000 0.1894655 -0.1894655), wk = 0.0032895 k( 79) = ( 0.8105345 0.5000000 0.1894655), wk = 0.0032895 k( 80) = ( 0.8040650 0.5000000 0.1959350), wk = 0.0032895 k( 81) = ( 0.7975955 0.5000000 0.2024045), wk = 0.0032895 k( 82) = ( 0.7911261 0.5000000 0.2088739), wk = 0.0032895 k( 83) = ( 0.7846566 0.5000000 0.2153434), wk = 0.0032895 k( 84) = ( 0.7781871 0.5000000 0.2218129), wk = 0.0032895 k( 85) = ( 0.7717177 0.5000000 0.2282823), wk = 0.0032895 k( 86) = ( 0.7652482 0.5000000 0.2347518), wk = 0.0032895 k( 87) = ( 0.7587787 0.5000000 0.2412213), wk = 0.0032895 k( 88) = ( 0.7523093 0.5000000 0.2476907), wk = 0.0032895 k( 89) = ( 0.7458398 0.5000000 0.2541602), wk = 0.0032895 k( 90) = ( 0.7393703 0.5000000 0.2606297), wk = 0.0032895 k( 91) = ( 0.7329009 0.5000000 0.2670991), wk = 0.0032895 k( 92) = ( 0.7264314 0.5000000 0.2735686), wk = 0.0032895 k( 93) = ( 0.7199619 0.5000000 0.2800381), wk = 0.0032895 k( 94) = ( 0.7134924 0.5000000 0.2865076), wk = 0.0032895 k( 95) = ( 0.7070230 0.5000000 0.2929770), wk = 0.0032895 k( 96) = ( 0.7005535 0.5000000 0.2994465), wk = 0.0032895 k( 97) = ( 0.6940840 0.5000000 0.3059159), wk = 0.0032895 k( 98) = ( 0.6876146 0.5000000 0.3123854), wk = 0.0032895 k( 99) = ( 0.6811451 0.5000000 0.3188549), wk = 0.0032895 k( 100) = ( 0.6746756 0.5000000 0.3253244), wk = 0.0032895 k( 101) = ( 0.6682062 0.5000000 0.3317938), wk = 0.0032895 k( 102) = ( 0.6617367 0.5000000 0.3382633), wk = 0.0032895 k( 103) = ( 0.6552672 0.5000000 0.3447328), wk = 0.0032895 k( 104) = ( 0.6487978 0.5000000 0.3512022), wk = 0.0032895 k( 105) = ( 0.6423283 0.5000000 0.3576717), wk = 0.0032895 k( 106) = ( 0.6358588 0.5000000 0.3641412), wk = 0.0032895 k( 107) = ( 0.6293894 0.5000000 0.3706106), wk = 0.0032895 k( 108) = ( 0.6229199 0.5000000 0.3770801), wk = 0.0032895 k( 109) = ( 0.6164504 0.5000000 0.3835496), wk = 0.0032895 k( 110) = ( 0.6099810 0.5000000 0.3900190), wk = 0.0032895 k( 111) = ( 0.6035115 0.5000000 0.3964885), wk = 0.0032895 k( 112) = ( 0.5970420 0.5000000 0.4029580), wk = 0.0032895 k( 113) = ( 0.5905726 0.5000000 0.4094274), wk = 0.0032895 k( 114) = ( 0.5841031 0.5000000 0.4158969), wk = 0.0032895 k( 115) = ( 0.5776336 0.5000000 0.4223664), wk = 0.0032895 k( 116) = ( 0.5711641 0.5000000 0.4288358), wk = 0.0032895 k( 117) = ( 0.5646947 0.5000000 0.4353053), wk = 0.0032895 k( 118) = ( 0.5582252 0.5000000 0.4417748), wk = 0.0032895 k( 119) = ( 0.5517557 0.5000000 0.4482443), wk = 0.0032895 k( 120) = ( 0.5452863 0.5000000 0.4547137), wk = 0.0032895 k( 121) = ( 0.5388168 0.5000000 0.4611832), wk = 0.0032895 k( 122) = ( 0.5323473 0.5000000 0.4676527), wk = 0.0032895 k( 123) = ( 0.5258779 0.5000000 0.4741221), wk = 0.0032895 k( 124) = ( 0.5194084 0.5000000 0.4805916), wk = 0.0032895 k( 125) = ( 0.5129389 0.5000000 0.4870611), wk = 0.0032895 k( 126) = ( 0.5064695 0.5000000 0.4935305), wk = 0.0032895 k( 127) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032895 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032895 k( 129) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0032895 k( 130) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0032895 k( 131) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0032895 k( 132) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0032895 k( 133) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0032895 k( 134) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0032895 k( 135) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0032895 k( 136) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0032895 k( 137) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0032895 k( 138) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0032895 k( 139) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0032895 k( 140) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0032895 k( 141) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0032895 k( 142) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0032895 k( 143) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0032895 k( 144) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0032895 k( 145) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0032895 k( 146) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0032895 k( 147) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0032895 k( 148) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0032895 k( 149) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0032895 k( 150) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0032895 k( 151) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0032895 k( 152) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0032895 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 155) = ( 0.0063839 0.0000000 -0.0063839), wk = 0.0032895 k( 156) = ( 0.0127679 0.0000000 -0.0127679), wk = 0.0032895 k( 157) = ( 0.0191518 -0.0000000 -0.0191518), wk = 0.0032895 k( 158) = ( 0.0255358 0.0000000 -0.0255358), wk = 0.0032895 k( 159) = ( 0.0319197 -0.0000000 -0.0319197), wk = 0.0032895 k( 160) = ( 0.0383036 -0.0000000 -0.0383036), wk = 0.0032895 k( 161) = ( 0.0446876 0.0000000 -0.0446876), wk = 0.0032895 k( 162) = ( 0.0510715 0.0000000 -0.0510715), wk = 0.0032895 k( 163) = ( 0.0574555 0.0000000 -0.0574555), wk = 0.0032895 k( 164) = ( 0.0638394 -0.0000000 -0.0638394), wk = 0.0032895 k( 165) = ( 0.0702233 -0.0000000 -0.0702233), wk = 0.0032895 k( 166) = ( 0.0766073 -0.0000000 -0.0766073), wk = 0.0032895 k( 167) = ( 0.0829912 -0.0000000 -0.0829912), wk = 0.0032895 k( 168) = ( 0.0893752 0.0000000 -0.0893752), wk = 0.0032895 k( 169) = ( 0.0957591 -0.0000000 -0.0957591), wk = 0.0032895 k( 170) = ( 0.1021430 0.0000000 -0.1021430), wk = 0.0032895 k( 171) = ( 0.1085270 0.0000000 -0.1085270), wk = 0.0032895 k( 172) = ( 0.1149109 0.0000000 -0.1149109), wk = 0.0032895 k( 173) = ( 0.1212949 0.0000000 -0.1212949), wk = 0.0032895 k( 174) = ( 0.1276788 -0.0000000 -0.1276788), wk = 0.0032895 k( 175) = ( 0.1340627 0.0000000 -0.1340627), wk = 0.0032895 k( 176) = ( 0.1404467 -0.0000000 -0.1404467), wk = 0.0032895 k( 177) = ( 0.1468306 0.0000000 -0.1468306), wk = 0.0032895 k( 178) = ( 0.1532146 -0.0000000 -0.1532146), wk = 0.0032895 k( 179) = ( 0.1595985 0.0000000 -0.1595985), wk = 0.0032895 k( 180) = ( 0.1659824 -0.0000000 -0.1659824), wk = 0.0032895 k( 181) = ( 0.1723664 0.0000000 -0.1723664), wk = 0.0032895 k( 182) = ( 0.1787503 0.0000000 -0.1787503), wk = 0.0032895 k( 183) = ( 0.1851343 -0.0000000 -0.1851343), wk = 0.0032895 k( 184) = ( 0.1915182 -0.0000000 -0.1915182), wk = 0.0032895 k( 185) = ( 0.1979021 0.0000000 -0.1979021), wk = 0.0032895 k( 186) = ( 0.2042861 0.0000000 -0.2042861), wk = 0.0032895 k( 187) = ( 0.2106700 0.0000000 -0.2106700), wk = 0.0032895 k( 188) = ( 0.2170540 0.0000000 -0.2170540), wk = 0.0032895 k( 189) = ( 0.2234379 -0.0000000 -0.2234379), wk = 0.0032895 k( 190) = ( 0.2298218 0.0000000 -0.2298218), wk = 0.0032895 k( 191) = ( 0.2362058 0.0000000 -0.2362058), wk = 0.0032895 k( 192) = ( 0.2425897 0.0000000 -0.2425897), wk = 0.0032895 k( 193) = ( 0.2489737 0.0000000 -0.2489737), wk = 0.0032895 k( 194) = ( 0.2553576 -0.0000000 -0.2553576), wk = 0.0032895 k( 195) = ( 0.2617415 0.0000000 -0.2617415), wk = 0.0032895 k( 196) = ( 0.2681255 0.0000000 -0.2681255), wk = 0.0032895 k( 197) = ( 0.2745094 0.0000000 -0.2745094), wk = 0.0032895 k( 198) = ( 0.2808934 -0.0000000 -0.2808934), wk = 0.0032895 k( 199) = ( 0.2872773 0.0000000 -0.2872773), wk = 0.0032895 k( 200) = ( 0.2936612 0.0000000 -0.2936612), wk = 0.0032895 k( 201) = ( 0.3000452 0.0000000 -0.3000452), wk = 0.0032895 k( 202) = ( 0.3064291 -0.0000000 -0.3064291), wk = 0.0032895 k( 203) = ( 0.3128131 0.0000000 -0.3128131), wk = 0.0032895 k( 204) = ( 0.3191970 0.0000000 -0.3191970), wk = 0.0032895 k( 205) = ( 0.3255809 0.0000000 -0.3255809), wk = 0.0032895 k( 206) = ( 0.3319649 -0.0000000 -0.3319649), wk = 0.0032895 k( 207) = ( 0.3383488 -0.0000000 -0.3383488), wk = 0.0032895 k( 208) = ( 0.3447328 0.0000000 -0.3447328), wk = 0.0032895 k( 209) = ( 0.6552672 0.3447328 0.0000000), wk = 0.0032895 k( 210) = ( 0.6487978 0.3512022 0.0000000), wk = 0.0032895 k( 211) = ( 0.6423283 0.3576717 0.0000000), wk = 0.0032895 k( 212) = ( 0.6358588 0.3641412 0.0000000), wk = 0.0032895 k( 213) = ( 0.6293894 0.3706106 0.0000000), wk = 0.0032895 k( 214) = ( 0.6229199 0.3770801 0.0000000), wk = 0.0032895 k( 215) = ( 0.6164504 0.3835496 0.0000000), wk = 0.0032895 k( 216) = ( 0.6099810 0.3900190 0.0000000), wk = 0.0032895 k( 217) = ( 0.6035115 0.3964885 0.0000000), wk = 0.0032895 k( 218) = ( 0.5970420 0.4029580 0.0000000), wk = 0.0032895 k( 219) = ( 0.5905726 0.4094274 -0.0000000), wk = 0.0032895 k( 220) = ( 0.5841031 0.4158969 0.0000000), wk = 0.0032895 k( 221) = ( 0.5776336 0.4223664 -0.0000000), wk = 0.0032895 k( 222) = ( 0.5711641 0.4288358 0.0000000), wk = 0.0032895 k( 223) = ( 0.5646947 0.4353053 0.0000000), wk = 0.0032895 k( 224) = ( 0.5582252 0.4417748 0.0000000), wk = 0.0032895 k( 225) = ( 0.5517557 0.4482443 0.0000000), wk = 0.0032895 k( 226) = ( 0.5452863 0.4547137 0.0000000), wk = 0.0032895 k( 227) = ( 0.5388168 0.4611832 0.0000000), wk = 0.0032895 k( 228) = ( 0.5323473 0.4676527 0.0000000), wk = 0.0032895 k( 229) = ( 0.5258779 0.4741221 0.0000000), wk = 0.0032895 k( 230) = ( 0.5194084 0.4805916 0.0000000), wk = 0.0032895 k( 231) = ( 0.5129389 0.4870611 -0.0000000), wk = 0.0032895 k( 232) = ( 0.5064695 0.4935305 0.0000000), wk = 0.0032895 k( 233) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032895 k( 234) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032895 k( 235) = ( 0.5172519 0.5172519 0.0210517), wk = 0.0032895 k( 236) = ( 0.5345038 0.5345038 0.0421035), wk = 0.0032895 k( 237) = ( 0.5517557 0.5517557 0.0631552), wk = 0.0032895 k( 238) = ( 0.5690077 0.5690077 0.0842069), wk = 0.0032895 k( 239) = ( 0.5862596 0.5862596 0.1052586), wk = 0.0032895 k( 240) = ( 0.6035115 0.6035115 0.1263103), wk = 0.0032895 k( 241) = ( 0.6207634 0.6207634 0.1473621), wk = 0.0032895 k( 242) = ( 0.6380153 0.6380153 0.1684138), wk = 0.0032895 k( 243) = ( 0.6552672 0.6552672 0.1894655), wk = 0.0032895 k( 244) = ( 0.6552672 0.6552672 0.1894655), wk = 0.0032895 k( 245) = ( 0.6515704 0.6515704 0.1968592), wk = 0.0032895 k( 246) = ( 0.6478736 0.6478736 0.2042529), wk = 0.0032895 k( 247) = ( 0.6441767 0.6441767 0.2116466), wk = 0.0032895 k( 248) = ( 0.6404799 0.6404799 0.2190402), wk = 0.0032895 k( 249) = ( 0.6367830 0.6367830 0.2264339), wk = 0.0032895 k( 250) = ( 0.6330862 0.6330862 0.2338276), wk = 0.0032895 k( 251) = ( 0.6293894 0.6293894 0.2412213), wk = 0.0032895 k( 252) = ( 0.6256925 0.6256925 0.2486150), wk = 0.0032895 k( 253) = ( 0.6219957 0.6219957 0.2560086), wk = 0.0032895 k( 254) = ( 0.6182988 0.6182988 0.2634023), wk = 0.0032895 k( 255) = ( 0.6146020 0.6146020 0.2707960), wk = 0.0032895 k( 256) = ( 0.6109052 0.6109052 0.2781897), wk = 0.0032895 k( 257) = ( 0.6072083 0.6072083 0.2855833), wk = 0.0032895 k( 258) = ( 0.6035115 0.6035115 0.2929770), wk = 0.0032895 k( 259) = ( 0.5998147 0.5998147 0.3003707), wk = 0.0032895 k( 260) = ( 0.5961178 0.5961178 0.3077644), wk = 0.0032895 k( 261) = ( 0.5924210 0.5924210 0.3151581), wk = 0.0032895 k( 262) = ( 0.5887241 0.5887241 0.3225517), wk = 0.0032895 k( 263) = ( 0.5850273 0.5850273 0.3299454), wk = 0.0032895 k( 264) = ( 0.5813305 0.5813305 0.3373391), wk = 0.0032895 k( 265) = ( 0.5776336 0.5776336 0.3447328), wk = 0.0032895 k( 266) = ( 0.5739368 0.5739368 0.3521264), wk = 0.0032895 k( 267) = ( 0.5702399 0.5702399 0.3595201), wk = 0.0032895 k( 268) = ( 0.5665431 0.5665431 0.3669138), wk = 0.0032895 k( 269) = ( 0.5628463 0.5628463 0.3743075), wk = 0.0032895 k( 270) = ( 0.5591494 0.5591494 0.3817011), wk = 0.0032895 k( 271) = ( 0.5554526 0.5554526 0.3890948), wk = 0.0032895 k( 272) = ( 0.5517557 0.5517557 0.3964885), wk = 0.0032895 k( 273) = ( 0.5480589 0.5480589 0.4038822), wk = 0.0032895 k( 274) = ( 0.5443621 0.5443621 0.4112759), wk = 0.0032895 k( 275) = ( 0.5406652 0.5406652 0.4186695), wk = 0.0032895 k( 276) = ( 0.5369684 0.5369684 0.4260632), wk = 0.0032895 k( 277) = ( 0.5332716 0.5332716 0.4334569), wk = 0.0032895 k( 278) = ( 0.5295747 0.5295747 0.4408506), wk = 0.0032895 k( 279) = ( 0.5258779 0.5258779 0.4482442), wk = 0.0032895 k( 280) = ( 0.5221810 0.5221810 0.4556379), wk = 0.0032895 k( 281) = ( 0.5184842 0.5184842 0.4630316), wk = 0.0032895 k( 282) = ( 0.5147874 0.5147874 0.4704253), wk = 0.0032895 k( 283) = ( 0.5110905 0.5110905 0.4778190), wk = 0.0032895 k( 284) = ( 0.5073937 0.5073937 0.4852126), wk = 0.0032895 k( 285) = ( 0.5036968 0.5036968 0.4926063), wk = 0.0032895 k( 286) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032895 k( 287) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032895 k( 288) = ( 0.5182667 0.0202784 0.0202784), wk = 0.0032895 k( 289) = ( 0.5365335 0.0405568 0.0405568), wk = 0.0032895 k( 290) = ( 0.5548002 0.0608352 0.0608352), wk = 0.0032895 k( 291) = ( 0.5730669 0.0811136 0.0811136), wk = 0.0032895 k( 292) = ( 0.5913337 0.1013920 0.1013920), wk = 0.0032895 k( 293) = ( 0.6096004 0.1216704 0.1216704), wk = 0.0032895 k( 294) = ( 0.6278671 0.1419488 0.1419488), wk = 0.0032895 k( 295) = ( 0.6461339 0.1622272 0.1622272), wk = 0.0032895 k( 296) = ( 0.6644006 0.1825056 0.1825056), wk = 0.0032895 k( 297) = ( 0.6826673 0.2027840 0.2027840), wk = 0.0032895 k( 298) = ( 0.7009341 0.2230624 0.2230624), wk = 0.0032895 k( 299) = ( 0.7192008 0.2433408 0.2433408), wk = 0.0032895 k( 300) = ( 0.7374675 0.2636192 0.2636192), wk = 0.0032895 k( 301) = ( 0.7557343 0.2838976 0.2838976), wk = 0.0032895 k( 302) = ( 0.7740010 0.3041760 0.3041760), wk = 0.0032895 k( 303) = ( 0.7922677 0.3244544 0.3244544), wk = 0.0032895 k( 304) = ( 0.8105345 0.3447328 0.3447328), wk = 0.0032895 Dense grid: 101457 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 25941 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 190, 46) NL pseudopotentials 0.20 Mb ( 95, 136) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.02 Mb ( 2819) G-vector shells 0.02 Mb ( 2268) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 190, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.19 Mb ( 136, 2, 46) The potential is recalculated from file : ./AgBiS2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 6.7 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.6 secs Computing kpt #: 10 total cpu time spent up to now is 8.0 secs Computing kpt #: 11 total cpu time spent up to now is 8.5 secs Computing kpt #: 12 total cpu time spent up to now is 9.0 secs Computing kpt #: 13 total cpu time spent up to now is 9.4 secs Computing kpt #: 14 total cpu time spent up to now is 9.9 secs Computing kpt #: 15 total cpu time spent up to now is 10.3 secs Computing kpt #: 16 total cpu time spent up to now is 10.8 secs Computing kpt #: 17 total cpu time spent up to now is 11.3 secs Computing kpt #: 18 total cpu time spent up to now is 11.8 secs Computing kpt #: 19 total cpu time spent up to now is 12.3 secs Computing kpt #: 20 total cpu time spent up to now is 12.7 secs Computing kpt #: 21 total cpu time spent up to now is 13.2 secs Computing kpt #: 22 total cpu time spent up to now is 13.7 secs Computing kpt #: 23 total cpu time spent up to now is 14.2 secs Computing kpt #: 24 total cpu time spent up to now is 14.7 secs Computing kpt #: 25 total cpu time spent up to now is 15.2 secs Computing kpt #: 26 total cpu time spent up to now is 15.7 secs Computing kpt #: 27 total cpu time spent up to now is 16.2 secs Computing kpt #: 28 total cpu time spent up to now is 16.7 secs Computing kpt #: 29 total cpu time spent up to now is 17.2 secs Computing kpt #: 30 total cpu time spent up to now is 17.7 secs Computing kpt #: 31 total cpu time spent up to now is 18.2 secs Computing kpt #: 32 total cpu time spent up to now is 18.7 secs Computing kpt #: 33 total cpu time spent up to now is 19.3 secs Computing kpt #: 34 total cpu time spent up to now is 19.8 secs Computing kpt #: 35 total cpu time spent up to now is 20.3 secs Computing kpt #: 36 total cpu time spent up to now is 20.8 secs Computing kpt #: 37 total cpu time spent up to now is 21.3 secs Computing kpt #: 38 total cpu time spent up to now is 21.8 secs Computing kpt #: 39 total cpu time spent up to now is 22.3 secs Computing kpt #: 40 total cpu time spent up to now is 22.8 secs Computing kpt #: 41 total cpu time spent up to now is 23.3 secs Computing kpt #: 42 total cpu time spent up to now is 23.8 secs Computing kpt #: 43 total cpu time spent up to now is 24.3 secs Computing kpt #: 44 total cpu time spent up to now is 24.8 secs Computing kpt #: 45 total cpu time spent up to now is 25.3 secs Computing kpt #: 46 total cpu time spent up to now is 25.7 secs Computing kpt #: 47 total cpu time spent up to now is 26.2 secs Computing kpt #: 48 total cpu time spent up to now is 26.7 secs Computing kpt #: 49 total cpu time spent up to now is 27.2 secs Computing kpt #: 50 total cpu time spent up to now is 27.6 secs Computing kpt #: 51 total cpu time spent up to now is 28.2 secs Computing kpt #: 52 total cpu time spent up to now is 28.7 secs Computing kpt #: 53 total cpu time spent up to now is 29.2 secs Computing kpt #: 54 total cpu time spent up to now is 29.8 secs Computing kpt #: 55 total cpu time spent up to now is 30.4 secs Computing kpt #: 56 total cpu time spent up to now is 31.0 secs Computing kpt #: 57 total cpu time spent up to now is 31.6 secs Computing kpt #: 58 total cpu time spent up to now is 32.2 secs Computing kpt #: 59 total cpu time spent up to now is 32.8 secs Computing kpt #: 60 total cpu time spent up to now is 33.3 secs Computing kpt #: 61 total cpu time spent up to now is 33.9 secs Computing kpt #: 62 total cpu time spent up to now is 34.5 secs Computing kpt #: 63 total cpu time spent up to now is 34.9 secs Computing kpt #: 64 total cpu time spent up to now is 35.4 secs Computing kpt #: 65 total cpu time spent up to now is 35.9 secs Computing kpt #: 66 total cpu time spent up to now is 36.4 secs Computing kpt #: 67 total cpu time spent up to now is 36.8 secs Computing kpt #: 68 total cpu time spent up to now is 37.3 secs Computing kpt #: 69 total cpu time spent up to now is 37.7 secs Computing kpt #: 70 total cpu time spent up to now is 38.2 secs Computing kpt #: 71 total cpu time spent up to now is 38.6 secs Computing kpt #: 72 total cpu time spent up to now is 39.1 secs Computing kpt #: 73 total cpu time spent up to now is 39.5 secs Computing kpt #: 74 total cpu time spent up to now is 40.0 secs Computing kpt #: 75 total cpu time spent up to now is 40.4 secs Computing kpt #: 76 total cpu time spent up to now is 40.9 secs Computing kpt #: 77 total cpu time spent up to now is 41.3 secs Computing kpt #: 78 total cpu time spent up to now is 41.8 secs Computing kpt #: 79 total cpu time spent up to now is 42.3 secs Computing kpt #: 80 total cpu time spent up to now is 42.7 secs Computing kpt #: 81 total cpu time spent up to now is 43.2 secs Computing kpt #: 82 total cpu time spent up to now is 43.6 secs Computing kpt #: 83 total cpu time spent up to now is 44.1 secs Computing kpt #: 84 total cpu time spent up to now is 44.6 secs Computing kpt #: 85 total cpu time spent up to now is 45.0 secs Computing kpt #: 86 total cpu time spent up to now is 45.5 secs Computing kpt #: 87 total cpu time spent up to now is 46.0 secs Computing kpt #: 88 total cpu time spent up to now is 46.4 secs Computing kpt #: 89 total cpu time spent up to now is 46.9 secs Computing kpt #: 90 total cpu time spent up to now is 47.4 secs Computing kpt #: 91 total cpu time spent up to now is 47.8 secs Computing kpt #: 92 total cpu time spent up to now is 48.3 secs Computing kpt #: 93 total cpu time spent up to now is 48.8 secs Computing kpt #: 94 total cpu time spent up to now is 49.2 secs Computing kpt #: 95 total cpu time spent up to now is 49.7 secs Computing kpt #: 96 total cpu time spent up to now is 50.2 secs Computing kpt #: 97 total cpu time spent up to now is 50.7 secs Computing kpt #: 98 total cpu time spent up to now is 51.2 secs Computing kpt #: 99 total cpu time spent up to now is 51.6 secs Computing kpt #: 100 total cpu time spent up to now is 52.1 secs Computing kpt #: 101 total cpu time spent up to now is 52.6 secs Computing kpt #: 102 total cpu time spent up to now is 53.1 secs Computing kpt #: 103 total cpu time spent up to now is 53.5 secs Computing kpt #: 104 total cpu time spent up to now is 54.0 secs Computing kpt #: 105 total cpu time spent up to now is 54.5 secs Computing kpt #: 106 total cpu time spent up to now is 54.9 secs Computing kpt #: 107 total cpu time spent up to now is 55.4 secs Computing kpt #: 108 total cpu time spent up to now is 55.9 secs Computing kpt #: 109 total cpu time spent up to now is 56.3 secs Computing kpt #: 110 total cpu time spent up to now is 56.8 secs Computing kpt #: 111 total cpu time spent up to now is 57.3 secs Computing kpt #: 112 total cpu time spent up to now is 57.7 secs Computing kpt #: 113 total cpu time spent up to now is 58.2 secs Computing kpt #: 114 total cpu time spent up to now is 58.7 secs Computing kpt #: 115 total cpu time spent up to now is 59.2 secs Computing kpt #: 116 total cpu time spent up to now is 59.8 secs Computing kpt #: 117 total cpu time spent up to now is 60.4 secs Computing kpt #: 118 total cpu time spent up to now is 61.0 secs Computing kpt #: 119 total cpu time spent up to now is 61.6 secs Computing kpt #: 120 total cpu time spent up to now is 62.2 secs Computing kpt #: 121 total cpu time spent up to now is 62.8 secs Computing kpt #: 122 total cpu time spent up to now is 63.3 secs Computing kpt #: 123 total cpu time spent up to now is 63.9 secs Computing kpt #: 124 total cpu time spent up to now is 64.5 secs Computing kpt #: 125 total cpu time spent up to now is 65.1 secs Computing kpt #: 126 total cpu time spent up to now is 65.6 secs Computing kpt #: 127 total cpu time spent up to now is 66.2 secs Computing kpt #: 128 total cpu time spent up to now is 66.7 secs Computing kpt #: 129 total cpu time spent up to now is 67.3 secs Computing kpt #: 130 total cpu time spent up to now is 67.8 secs Computing kpt #: 131 total cpu time spent up to now is 68.2 secs Computing kpt #: 132 total cpu time spent up to now is 68.7 secs Computing kpt #: 133 total cpu time spent up to now is 69.2 secs Computing kpt #: 134 total cpu time spent up to now is 69.6 secs Computing kpt #: 135 total cpu time spent up to now is 70.1 secs Computing kpt #: 136 total cpu time spent up to now is 70.6 secs Computing kpt #: 137 total cpu time spent up to now is 71.3 secs Computing kpt #: 138 total cpu time spent up to now is 71.8 secs Computing kpt #: 139 total cpu time spent up to now is 72.2 secs Computing kpt #: 140 total cpu time spent up to now is 72.7 secs Computing kpt #: 141 total cpu time spent up to now is 73.2 secs Computing kpt #: 142 total cpu time spent up to now is 73.6 secs Computing kpt #: 143 total cpu time spent up to now is 74.1 secs Computing kpt #: 144 total cpu time spent up to now is 74.5 secs Computing kpt #: 145 total cpu time spent up to now is 74.9 secs Computing kpt #: 146 total cpu time spent up to now is 75.4 secs Computing kpt #: 147 total cpu time spent up to now is 75.8 secs Computing kpt #: 148 total cpu time spent up to now is 76.2 secs Computing kpt #: 149 total cpu time spent up to now is 76.7 secs Computing kpt #: 150 total cpu time spent up to now is 77.1 secs Computing kpt #: 151 total cpu time spent up to now is 77.5 secs Computing kpt #: 152 total cpu time spent up to now is 77.9 secs Computing kpt #: 153 total cpu time spent up to now is 78.3 secs Computing kpt #: 154 total cpu time spent up to now is 78.8 secs Computing kpt #: 155 total cpu time spent up to now is 79.2 secs Computing kpt #: 156 total cpu time spent up to now is 79.6 secs Computing kpt #: 157 total cpu time spent up to now is 80.0 secs Computing kpt #: 158 total cpu time spent up to now is 80.5 secs Computing kpt #: 159 total cpu time spent up to now is 80.9 secs Computing kpt #: 160 total cpu time spent up to now is 81.3 secs Computing kpt #: 161 total cpu time spent up to now is 81.7 secs Computing kpt #: 162 total cpu time spent up to now is 82.2 secs Computing kpt #: 163 total cpu time spent up to now is 82.6 secs Computing kpt #: 164 total cpu time spent up to now is 83.1 secs Computing kpt #: 165 total cpu time spent up to now is 83.6 secs Computing kpt #: 166 total cpu time spent up to now is 84.0 secs Computing kpt #: 167 total cpu time spent up to now is 84.5 secs Computing kpt #: 168 total cpu time spent up to now is 85.0 secs Computing kpt #: 169 total cpu time spent up to now is 85.5 secs Computing kpt #: 170 total cpu time spent up to now is 86.0 secs Computing kpt #: 171 total cpu time spent up to now is 86.4 secs Computing kpt #: 172 total cpu time spent up to now is 86.9 secs Computing kpt #: 173 total cpu time spent up to now is 87.4 secs Computing kpt #: 174 total cpu time spent up to now is 87.9 secs Computing kpt #: 175 total cpu time spent up to now is 88.4 secs Computing kpt #: 176 total cpu time spent up to now is 88.9 secs Computing kpt #: 177 total cpu time spent up to now is 89.4 secs Computing kpt #: 178 total cpu time spent up to now is 89.9 secs Computing kpt #: 179 total cpu time spent up to now is 90.4 secs Computing kpt #: 180 total cpu time spent up to now is 90.9 secs Computing kpt #: 181 total cpu time spent up to now is 91.3 secs Computing kpt #: 182 total cpu time spent up to now is 91.8 secs Computing kpt #: 183 total cpu time spent up to now is 92.3 secs Computing kpt #: 184 total cpu time spent up to now is 92.7 secs Computing kpt #: 185 total cpu time spent up to now is 93.2 secs Computing kpt #: 186 total cpu time spent up to now is 93.7 secs Computing kpt #: 187 total cpu time spent up to now is 94.1 secs Computing kpt #: 188 total cpu time spent up to now is 94.6 secs Computing kpt #: 189 total cpu time spent up to now is 95.1 secs Computing kpt #: 190 total cpu time spent up to now is 95.5 secs Computing kpt #: 191 total cpu time spent up to now is 96.0 secs Computing kpt #: 192 total cpu time spent up to now is 96.4 secs Computing kpt #: 193 total cpu time spent up to now is 96.9 secs Computing kpt #: 194 total cpu time spent up to now is 97.4 secs Computing kpt #: 195 total cpu time spent up to now is 97.8 secs Computing kpt #: 196 total cpu time spent up to now is 98.3 secs Computing kpt #: 197 total cpu time spent up to now is 98.7 secs Computing kpt #: 198 total cpu time spent up to now is 99.2 secs Computing kpt #: 199 total cpu time spent up to now is 99.6 secs Computing kpt #: 200 total cpu time spent up to now is 100.1 secs Computing kpt #: 201 total cpu time spent up to now is 100.5 secs Computing kpt #: 202 total cpu time spent up to now is 101.0 secs Computing kpt #: 203 total cpu time spent up to now is 101.4 secs Computing kpt #: 204 total cpu time spent up to now is 101.9 secs Computing kpt #: 205 total cpu time spent up to now is 102.3 secs Computing kpt #: 206 total cpu time spent up to now is 102.8 secs Computing kpt #: 207 total cpu time spent up to now is 103.3 secs Computing kpt #: 208 total cpu time spent up to now is 103.7 secs Computing kpt #: 209 total cpu time spent up to now is 104.2 secs Computing kpt #: 210 total cpu time spent up to now is 104.6 secs Computing kpt #: 211 total cpu time spent up to now is 105.1 secs Computing kpt #: 212 total cpu time spent up to now is 105.6 secs Computing kpt #: 213 total cpu time spent up to now is 106.4 secs Computing kpt #: 214 total cpu time spent up to now is 106.9 secs Computing kpt #: 215 total cpu time spent up to now is 107.4 secs Computing kpt #: 216 total cpu time spent up to now is 107.9 secs Computing kpt #: 217 total cpu time spent up to now is 108.3 secs Computing kpt #: 218 total cpu time spent up to now is 108.8 secs Computing kpt #: 219 total cpu time spent up to now is 109.3 secs Computing kpt #: 220 total cpu time spent up to now is 109.7 secs Computing kpt #: 221 total cpu time spent up to now is 110.2 secs Computing kpt #: 222 total cpu time spent up to now is 110.7 secs Computing kpt #: 223 total cpu time spent up to now is 111.1 secs Computing kpt #: 224 total cpu time spent up to now is 111.6 secs Computing kpt #: 225 total cpu time spent up to now is 112.1 secs Computing kpt #: 226 total cpu time spent up to now is 112.5 secs Computing kpt #: 227 total cpu time spent up to now is 113.0 secs Computing kpt #: 228 total cpu time spent up to now is 113.5 secs Computing kpt #: 229 total cpu time spent up to now is 113.9 secs Computing kpt #: 230 total cpu time spent up to now is 114.4 secs Computing kpt #: 231 total cpu time spent up to now is 114.9 secs Computing kpt #: 232 total cpu time spent up to now is 115.3 secs Computing kpt #: 233 total cpu time spent up to now is 115.8 secs Computing kpt #: 234 total cpu time spent up to now is 116.2 secs Computing kpt #: 235 total cpu time spent up to now is 116.7 secs Computing kpt #: 236 total cpu time spent up to now is 117.2 secs Computing kpt #: 237 total cpu time spent up to now is 117.6 secs Computing kpt #: 238 total cpu time spent up to now is 118.1 secs Computing kpt #: 239 total cpu time spent up to now is 118.5 secs Computing kpt #: 240 total cpu time spent up to now is 119.0 secs Computing kpt #: 241 total cpu time spent up to now is 119.5 secs Computing kpt #: 242 total cpu time spent up to now is 120.0 secs Computing kpt #: 243 total cpu time spent up to now is 120.4 secs Computing kpt #: 244 total cpu time spent up to now is 120.9 secs Computing kpt #: 245 total cpu time spent up to now is 121.4 secs Computing kpt #: 246 total cpu time spent up to now is 121.8 secs Computing kpt #: 247 total cpu time spent up to now is 122.3 secs Computing kpt #: 248 total cpu time spent up to now is 122.8 secs Computing kpt #: 249 total cpu time spent up to now is 123.3 secs Computing kpt #: 250 total cpu time spent up to now is 123.7 secs Computing kpt #: 251 total cpu time spent up to now is 124.2 secs Computing kpt #: 252 total cpu time spent up to now is 124.7 secs Computing kpt #: 253 total cpu time spent up to now is 125.2 secs Computing kpt #: 254 total cpu time spent up to now is 125.7 secs Computing kpt #: 255 total cpu time spent up to now is 126.1 secs Computing kpt #: 256 total cpu time spent up to now is 126.6 secs Computing kpt #: 257 total cpu time spent up to now is 127.1 secs Computing kpt #: 258 total cpu time spent up to now is 127.6 secs Computing kpt #: 259 total cpu time spent up to now is 128.0 secs Computing kpt #: 260 total cpu time spent up to now is 128.5 secs Computing kpt #: 261 total cpu time spent up to now is 129.0 secs Computing kpt #: 262 total cpu time spent up to now is 129.5 secs Computing kpt #: 263 total cpu time spent up to now is 129.9 secs Computing kpt #: 264 total cpu time spent up to now is 130.4 secs Computing kpt #: 265 total cpu time spent up to now is 130.8 secs Computing kpt #: 266 total cpu time spent up to now is 131.3 secs Computing kpt #: 267 total cpu time spent up to now is 131.7 secs Computing kpt #: 268 total cpu time spent up to now is 132.2 secs Computing kpt #: 269 total cpu time spent up to now is 132.7 secs Computing kpt #: 270 total cpu time spent up to now is 133.1 secs Computing kpt #: 271 total cpu time spent up to now is 133.6 secs Computing kpt #: 272 total cpu time spent up to now is 134.1 secs Computing kpt #: 273 total cpu time spent up to now is 134.6 secs Computing kpt #: 274 total cpu time spent up to now is 135.1 secs Computing kpt #: 275 total cpu time spent up to now is 135.6 secs Computing kpt #: 276 total cpu time spent up to now is 136.1 secs Computing kpt #: 277 total cpu time spent up to now is 136.7 secs Computing kpt #: 278 total cpu time spent up to now is 137.2 secs Computing kpt #: 279 total cpu time spent up to now is 137.8 secs Computing kpt #: 280 total cpu time spent up to now is 138.5 secs Computing kpt #: 281 total cpu time spent up to now is 139.1 secs Computing kpt #: 282 total cpu time spent up to now is 139.7 secs Computing kpt #: 283 total cpu time spent up to now is 140.3 secs Computing kpt #: 284 total cpu time spent up to now is 140.9 secs Computing kpt #: 285 total cpu time spent up to now is 141.4 secs Computing kpt #: 286 total cpu time spent up to now is 142.0 secs Computing kpt #: 287 total cpu time spent up to now is 142.5 secs Computing kpt #: 288 total cpu time spent up to now is 143.0 secs Computing kpt #: 289 total cpu time spent up to now is 143.4 secs Computing kpt #: 290 total cpu time spent up to now is 143.9 secs Computing kpt #: 291 total cpu time spent up to now is 144.4 secs Computing kpt #: 292 total cpu time spent up to now is 144.8 secs Computing kpt #: 293 total cpu time spent up to now is 145.3 secs Computing kpt #: 294 total cpu time spent up to now is 145.8 secs Computing kpt #: 295 total cpu time spent up to now is 146.3 secs Computing kpt #: 296 total cpu time spent up to now is 146.8 secs Computing kpt #: 297 total cpu time spent up to now is 147.2 secs Computing kpt #: 298 total cpu time spent up to now is 147.7 secs Computing kpt #: 299 total cpu time spent up to now is 148.2 secs Computing kpt #: 300 total cpu time spent up to now is 148.7 secs Computing kpt #: 301 total cpu time spent up to now is 149.1 secs Computing kpt #: 302 total cpu time spent up to now is 149.6 secs Computing kpt #: 303 total cpu time spent up to now is 150.1 secs Computing kpt #: 304 total cpu time spent up to now is 150.5 secs ethr = 2.63E-08, avg # of iterations = 17.1 total cpu time spent up to now is 150.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3211 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9071 -12.9071 -12.9001 -12.9001 -5.2893 -5.2893 -3.5735 -3.5735 -0.7815 -0.7815 4.2981 4.2981 4.4261 4.4261 4.8824 4.8824 5.4401 5.4401 5.4490 5.4490 6.2759 6.2759 6.5213 6.5213 6.8730 6.8730 6.9157 6.9157 8.1777 8.1777 8.2289 8.2289 9.0464 9.0464 10.4457 10.4457 11.2368 11.2368 12.8985 12.8985 k = 0.0109-0.0155-0.0096 ( 3221 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9071 -12.9071 -12.9001 -12.9001 -5.2883 -5.2883 -3.5733 -3.5733 -0.7815 -0.7815 4.2976 4.2976 4.4254 4.4254 4.8810 4.8810 5.4387 5.4387 5.4477 5.4477 6.2683 6.2683 6.5191 6.5191 6.8832 6.8832 6.9213 6.9213 8.1662 8.1662 8.2214 8.2214 9.0561 9.0561 10.4491 10.4491 11.2334 11.2334 12.9099 12.9099 k = 0.0217-0.0311-0.0191 ( 3232 PWs) bands (ev): -15.8970 -15.8970 -15.8869 -15.8869 -12.9220 -12.9220 -12.9070 -12.9070 -12.9001 -12.9001 -5.2851 -5.2851 -3.5725 -3.5725 -0.7816 -0.7816 4.2959 4.2959 4.4235 4.4235 4.8767 4.8767 5.4336 5.4336 5.4449 5.4449 6.2467 6.2467 6.5147 6.5147 6.8985 6.8985 6.9498 6.9498 8.1276 8.1276 8.2057 8.2057 9.0829 9.0829 10.4592 10.4592 11.2238 11.2238 12.9433 12.9433 k = 0.0326-0.0466-0.0287 ( 3238 PWs) bands (ev): -15.8970 -15.8970 -15.8869 -15.8869 -12.9220 -12.9220 -12.9070 -12.9070 -12.9002 -12.9002 -5.2798 -5.2798 -3.5711 -3.5711 -0.7818 -0.7818 4.2930 4.2930 4.4203 4.4203 4.8698 4.8698 5.4236 5.4236 5.4424 5.4424 6.2145 6.2145 6.5118 6.5118 6.9061 6.9061 7.0065 7.0065 8.0621 8.0621 8.1875 8.1875 9.1212 9.1212 10.4756 10.4756 11.2102 11.2102 12.9966 12.9966 k = 0.0435-0.0622-0.0383 ( 3241 PWs) bands (ev): -15.8969 -15.8969 -15.8869 -15.8869 -12.9218 -12.9218 -12.9070 -12.9070 -12.9003 -12.9003 -5.2724 -5.2724 -3.5693 -3.5693 -0.7821 -0.7821 4.2887 4.2887 4.4163 4.4163 4.8602 4.8602 5.4090 5.4090 5.4398 5.4398 6.1759 6.1759 6.5121 6.5121 6.9118 6.9118 7.0790 7.0790 7.9769 7.9769 8.1659 8.1659 9.1652 9.1652 10.4974 10.4974 11.1954 11.1954 13.0667 13.0667 k = 0.0543-0.0777-0.0478 ( 3241 PWs) bands (ev): -15.8968 -15.8968 -15.8869 -15.8869 -12.9217 -12.9217 -12.9069 -12.9069 -12.9004 -12.9004 -5.2629 -5.2629 -3.5669 -3.5669 -0.7826 -0.7826 4.2826 4.2826 4.4117 4.4117 4.8482 4.8482 5.3905 5.3905 5.4369 5.4369 6.1346 6.1346 6.5155 6.5155 6.9178 6.9178 7.1602 7.1602 7.8783 7.8783 8.1405 8.1405 9.2103 9.2103 10.5237 10.5237 11.1827 11.1827 13.1499 13.1499 k = 0.0652-0.0933-0.0574 ( 3246 PWs) bands (ev): -15.8967 -15.8967 -15.8869 -15.8869 -12.9215 -12.9215 -12.9068 -12.9068 -12.9005 -12.9005 -5.2513 -5.2513 -3.5640 -3.5640 -0.7833 -0.7833 4.2745 4.2745 4.4067 4.4067 4.8338 4.8338 5.3689 5.3689 5.4336 5.4336 6.0935 6.0935 6.5210 6.5210 6.9244 6.9244 7.2459 7.2459 7.7712 7.7712 8.1112 8.1112 9.2531 9.2531 10.5533 10.5533 11.1750 11.1750 13.2424 13.2424 k = 0.0761-0.1088-0.0670 ( 3241 PWs) bands (ev): -15.8966 -15.8966 -15.8869 -15.8869 -12.9213 -12.9213 -12.9067 -12.9067 -12.9007 -12.9007 -5.2376 -5.2376 -3.5606 -3.5606 -0.7844 -0.7844 4.2641 4.2641 4.4019 4.4019 4.8172 4.8172 5.3449 5.3449 5.4299 5.4299 6.0542 6.0542 6.5279 6.5279 6.9318 6.9318 7.3310 7.3310 7.6615 7.6615 8.0784 8.0784 9.2916 9.2916 10.5852 10.5852 11.1750 11.1750 13.3403 13.3403 k = 0.0870-0.1243-0.0765 ( 3239 PWs) bands (ev): -15.8965 -15.8965 -15.8869 -15.8869 -12.9211 -12.9211 -12.9066 -12.9066 -12.9008 -12.9008 -5.2218 -5.2218 -3.5567 -3.5567 -0.7860 -0.7860 4.2514 4.2514 4.3973 4.3973 4.7985 4.7985 5.3192 5.3192 5.4259 5.4259 6.0175 6.0175 6.5353 6.5353 6.9397 6.9397 7.3974 7.3974 7.5674 7.5674 8.0427 8.0427 9.3247 9.3247 10.6183 10.6183 11.1843 11.1843 13.4395 13.4395 k = 0.0978-0.1399-0.0861 ( 3239 PWs) bands (ev): -15.8964 -15.8964 -15.8869 -15.8869 -12.9208 -12.9208 -12.9065 -12.9065 -12.9010 -12.9010 -5.2040 -5.2040 -3.5524 -3.5524 -0.7882 -0.7882 4.2364 4.2364 4.3933 4.3933 4.7777 4.7777 5.2925 5.2925 5.4216 5.4216 5.9839 5.9839 6.5425 6.5425 6.9478 6.9478 7.3651 7.3651 7.5695 7.5695 8.0049 8.0049 9.3520 9.3520 10.6520 10.6520 11.2039 11.2039 13.5361 13.5361 k = 0.1087-0.1554-0.0957 ( 3239 PWs) bands (ev): -15.8963 -15.8963 -15.8869 -15.8869 -12.9206 -12.9206 -12.9064 -12.9064 -12.9012 -12.9012 -5.1842 -5.1842 -3.5476 -3.5476 -0.7911 -0.7911 4.2193 4.2193 4.3897 4.3897 4.7548 4.7548 5.2656 5.2656 5.4170 5.4170 5.9534 5.9534 6.5485 6.5485 6.9552 6.9552 7.2592 7.2592 7.6427 7.6427 7.9665 7.9665 9.3741 9.3741 10.6859 10.6859 11.2335 11.2335 13.6257 13.6257 k = 0.1196-0.1710-0.1052 ( 3249 PWs) bands (ev): -15.8961 -15.8961 -15.8869 -15.8869 -12.9203 -12.9203 -12.9063 -12.9063 -12.9014 -12.9014 -5.1624 -5.1624 -3.5423 -3.5423 -0.7949 -0.7949 4.2006 4.2006 4.3865 4.3865 4.7299 4.7299 5.2391 5.2391 5.4122 5.4122 5.9259 5.9259 6.5521 6.5521 6.9597 6.9597 7.1453 7.1453 7.7211 7.7211 7.9309 7.9309 9.3917 9.3917 10.7201 10.7201 11.2721 11.2721 13.7036 13.7036 k = 0.1304-0.1865-0.1148 ( 3248 PWs) bands (ev): -15.8960 -15.8960 -15.8869 -15.8869 -12.9200 -12.9200 -12.9061 -12.9061 -12.9016 -12.9016 -5.1386 -5.1386 -3.5367 -3.5367 -0.7996 -0.7996 4.1808 4.1808 4.3835 4.3835 4.7031 4.7031 5.2137 5.2137 5.4074 5.4074 5.9012 5.9012 6.5513 6.5513 6.9479 6.9479 7.0488 7.0488 7.7803 7.7803 7.9122 7.9122 9.4064 9.4064 10.7546 10.7546 11.3182 11.3182 13.7656 13.7656 k = 0.1413-0.2021-0.1244 ( 3247 PWs) bands (ev): -15.8958 -15.8958 -15.8869 -15.8869 -12.9198 -12.9198 -12.9059 -12.9059 -12.9018 -12.9018 -5.1128 -5.1128 -3.5306 -3.5306 -0.8055 -0.8055 4.1604 4.1604 4.3805 4.3805 4.6745 4.6745 5.1895 5.1895 5.4025 5.4025 5.8789 5.8789 6.5421 6.5421 6.8817 6.8817 7.0141 7.0141 7.7849 7.7849 7.9428 7.9428 9.4198 9.4198 10.7894 10.7894 11.3700 11.3700 13.8075 13.8075 k = 0.1522-0.2176-0.1340 ( 3248 PWs) bands (ev): -15.8956 -15.8956 -15.8869 -15.8869 -12.9195 -12.9195 -12.9058 -12.9058 -12.9019 -12.9019 -5.0851 -5.0851 -3.5242 -3.5242 -0.8126 -0.8126 4.1400 4.1400 4.3772 4.3772 4.6443 4.6443 5.1667 5.1667 5.3976 5.3976 5.8587 5.8587 6.5166 6.5166 6.7974 6.7974 7.0141 7.0141 7.7521 7.7521 8.0036 8.0036 9.4338 9.4338 10.8245 10.8245 11.4257 11.4257 13.8269 13.8269 k = 0.1630-0.2332-0.1435 ( 3244 PWs) bands (ev): -15.8954 -15.8954 -15.8869 -15.8869 -12.9192 -12.9192 -12.9056 -12.9056 -12.9020 -12.9020 -5.0556 -5.0556 -3.5175 -3.5175 -0.8212 -0.8212 4.1200 4.1200 4.3732 4.3732 4.6128 4.6128 5.1453 5.1453 5.3927 5.3927 5.8402 5.8402 6.4645 6.4645 6.7353 6.7353 7.0199 7.0199 7.7095 7.7095 8.0656 8.0656 9.4505 9.4505 10.8593 10.8593 11.4834 11.4834 13.8237 13.8237 k = 0.1739-0.2487-0.1531 ( 3240 PWs) bands (ev): -15.8952 -15.8952 -15.8869 -15.8869 -12.9190 -12.9190 -12.9055 -12.9055 -12.9021 -12.9021 -5.0242 -5.0242 -3.5105 -3.5105 -0.8313 -0.8313 4.1009 4.1009 4.3682 4.3682 4.5807 4.5807 5.1249 5.1249 5.3878 5.3878 5.8230 5.8230 6.3859 6.3859 6.7013 6.7013 7.0266 7.0266 7.6637 7.6637 8.1206 8.1206 9.4713 9.4713 10.8934 10.8934 11.5416 11.5416 13.8008 13.8008 k = 0.1848-0.2642-0.1627 ( 3246 PWs) bands (ev): -15.8950 -15.8950 -15.8869 -15.8869 -12.9188 -12.9188 -12.9054 -12.9054 -12.9021 -12.9021 -4.9910 -4.9910 -3.5033 -3.5033 -0.8430 -0.8430 4.0831 4.0831 4.3615 4.3615 4.5486 4.5486 5.1049 5.1049 5.3830 5.3830 5.8067 5.8067 6.2938 6.2938 6.6850 6.6850 7.0328 7.0328 7.6167 7.6167 8.1658 8.1658 9.4975 9.4975 10.9263 10.9263 11.5987 11.5987 13.7631 13.7631 k = 0.1957-0.2798-0.1722 ( 3241 PWs) bands (ev): -15.8948 -15.8948 -15.8869 -15.8869 -12.9186 -12.9186 -12.9053 -12.9053 -12.9020 -12.9020 -4.9561 -4.9561 -3.4960 -3.4960 -0.8565 -0.8565 4.0668 4.0668 4.3524 4.3524 4.5175 4.5175 5.0848 5.0848 5.3781 5.3781 5.7905 5.7905 6.1998 6.1998 6.6771 6.6771 7.0380 7.0380 7.5694 7.5694 8.1999 8.1999 9.5296 9.5296 10.9572 10.9572 11.6535 11.6535 13.7167 13.7167 k = 0.2065-0.2953-0.1818 ( 3240 PWs) bands (ev): -15.8946 -15.8946 -15.8869 -15.8869 -12.9185 -12.9185 -12.9053 -12.9053 -12.9018 -12.9018 -4.9195 -4.9195 -3.4885 -3.4885 -0.8719 -0.8719 4.0519 4.0519 4.3400 4.3400 4.4889 4.4889 5.0635 5.0635 5.3733 5.3733 5.7737 5.7737 6.1109 6.1109 6.6727 6.6727 7.0418 7.0418 7.5221 7.5221 8.2225 8.2225 9.5673 9.5673 10.9855 10.9855 11.7049 11.7049 13.6676 13.6676 k = 0.2174-0.3109-0.1914 ( 3241 PWs) bands (ev): -15.8944 -15.8944 -15.8869 -15.8869 -12.9184 -12.9184 -12.9054 -12.9054 -12.9015 -12.9015 -4.8813 -4.8813 -3.4810 -3.4810 -0.8891 -0.8891 4.0384 4.0384 4.3232 4.3232 4.4640 4.4640 5.0400 5.0400 5.3685 5.3685 5.7551 5.7551 6.0320 6.0320 6.6697 6.6697 7.0440 7.0440 7.4753 7.4753 8.2338 8.2338 9.6094 9.6094 11.0108 11.0108 11.7519 11.7519 13.6208 13.6208 k = 0.2283-0.3264-0.2009 ( 3243 PWs) bands (ev): -15.8942 -15.8942 -15.8869 -15.8869 -12.9183 -12.9183 -12.9054 -12.9054 -12.9012 -12.9012 -4.8414 -4.8414 -3.4735 -3.4735 -0.9082 -0.9082 4.0257 4.0257 4.3018 4.3018 4.4438 4.4438 5.0134 5.0134 5.3639 5.3639 5.7334 5.7334 5.9668 5.9668 6.6671 6.6671 7.0442 7.0442 7.4292 7.4292 8.2347 8.2347 9.6543 9.6543 11.0327 11.0327 11.7942 11.7942 13.5805 13.5805 k = 0.2391-0.3420-0.2105 ( 3239 PWs) bands (ev): -15.8941 -15.8941 -15.8868 -15.8868 -12.9183 -12.9183 -12.9055 -12.9055 -12.9008 -12.9008 -4.8001 -4.8001 -3.4661 -3.4661 -0.9292 -0.9292 4.0133 4.0133 4.2764 4.2764 4.4282 4.4282 4.9830 4.9830 5.3597 5.3597 5.7082 5.7082 5.9175 5.9175 6.6642 6.6642 7.0423 7.0423 7.3841 7.3841 8.2261 8.2261 9.6995 9.6995 11.0514 11.0514 11.8317 11.8317 13.5492 13.5492 k = 0.2500-0.3575-0.2201 ( 3241 PWs) bands (ev): -15.8939 -15.8939 -15.8868 -15.8868 -12.9183 -12.9183 -12.9056 -12.9056 -12.9003 -12.9003 -4.7573 -4.7573 -3.4590 -3.4590 -0.9520 -0.9520 3.9998 3.9998 4.2490 4.2490 4.4162 4.4162 4.9486 4.9486 5.3564 5.3564 5.6809 5.6809 5.8834 5.8834 6.6607 6.6607 7.0381 7.0381 7.3403 7.3403 8.2093 8.2093 9.7427 9.7427 11.0671 11.0671 11.8647 11.8647 13.5283 13.5283 k = 0.2609-0.3730-0.2296 ( 3247 PWs) bands (ev): -15.8937 -15.8937 -15.8868 -15.8868 -12.9184 -12.9184 -12.9057 -12.9057 -12.8998 -12.8998 -4.7132 -4.7132 -3.4522 -3.4522 -0.9767 -0.9767 3.9836 3.9836 4.2216 4.2216 4.4070 4.4070 4.9111 4.9111 5.3544 5.3544 5.6544 5.6544 5.8613 5.8613 6.6563 6.6563 7.0314 7.0314 7.2980 7.2980 8.1852 8.1852 9.7812 9.7812 11.0808 11.0808 11.8940 11.8940 13.5180 13.5180 k = 0.2717-0.3886-0.2392 ( 3244 PWs) bands (ev): -15.8935 -15.8935 -15.8868 -15.8868 -12.9185 -12.9185 -12.9058 -12.9058 -12.8993 -12.8993 -4.6678 -4.6678 -3.4457 -3.4457 -1.0031 -1.0031 3.9629 3.9629 4.1963 4.1963 4.3996 4.3996 4.8721 4.8721 5.3542 5.3542 5.6314 5.6314 5.8478 5.8478 6.6510 6.6510 7.0222 7.0222 7.2576 7.2576 8.1547 8.1547 9.8127 9.8127 11.0937 11.0937 11.9205 11.9205 13.5171 13.5171 k = 0.2826-0.4041-0.2488 ( 3239 PWs) bands (ev): -15.8933 -15.8933 -15.8867 -15.8867 -12.9186 -12.9186 -12.9059 -12.9059 -12.8987 -12.8987 -4.6213 -4.6213 -3.4398 -3.4398 -1.0311 -1.0311 3.9363 3.9363 4.1741 4.1741 4.3936 4.3936 4.8344 4.8344 5.3561 5.3561 5.6127 5.6127 5.8400 5.8400 6.6445 6.6445 7.0103 7.0103 7.2193 7.2193 8.1186 8.1186 9.8352 9.8352 11.1074 11.1074 11.9452 11.9452 13.5236 13.5236 k = 0.2935-0.4197-0.2583 ( 3237 PWs) bands (ev): -15.8931 -15.8931 -15.8867 -15.8867 -12.9188 -12.9188 -12.9060 -12.9060 -12.8982 -12.8982 -4.5737 -4.5737 -3.4346 -3.4346 -1.0604 -1.0604 3.9030 3.9030 4.1551 4.1551 4.3882 4.3882 4.8009 4.8009 5.3604 5.3604 5.5984 5.5984 5.8364 5.8364 6.6366 6.6366 6.9957 6.9957 7.1833 7.1833 8.0775 8.0775 9.8473 9.8473 11.1234 11.1234 11.9691 11.9691 13.5347 13.5347 k = 0.3043-0.4352-0.2679 ( 3241 PWs) bands (ev): -15.8930 -15.8930 -15.8866 -15.8866 -12.9190 -12.9190 -12.9060 -12.9060 -12.8976 -12.8976 -4.5251 -4.5251 -3.4302 -3.4302 -1.0910 -1.0910 3.8634 3.8634 4.1383 4.1383 4.3829 4.3829 4.7746 4.7746 5.3669 5.3669 5.5878 5.5878 5.8358 5.8358 6.6273 6.6273 6.9786 6.9786 7.1500 7.1500 8.0318 8.0318 9.8485 9.8485 11.1426 11.1426 11.9925 11.9925 13.5472 13.5472 k = 0.3152-0.4508-0.2775 ( 3244 PWs) bands (ev): -15.8928 -15.8928 -15.8866 -15.8866 -12.9192 -12.9192 -12.9061 -12.9061 -12.8970 -12.8970 -4.4756 -4.4756 -3.4267 -3.4267 -1.1226 -1.1226 3.8185 3.8185 4.1225 4.1225 4.3770 4.3770 4.7582 4.7582 5.3756 5.3756 5.5802 5.5802 5.8377 5.8377 6.6164 6.6164 6.9592 6.9592 7.1192 7.1192 7.9820 7.9820 9.8392 9.8392 11.1657 11.1657 12.0161 12.0161 13.5581 13.5581 k = 0.3261-0.4663-0.2870 ( 3244 PWs) bands (ev): -15.8927 -15.8927 -15.8865 -15.8865 -12.9194 -12.9194 -12.9061 -12.9061 -12.8964 -12.8964 -4.4255 -4.4255 -3.4244 -3.4244 -1.1549 -1.1549 3.7696 3.7696 4.1063 4.1063 4.3698 4.3698 4.7536 4.7536 5.3862 5.3862 5.5747 5.5747 5.8417 5.8417 6.6037 6.6037 6.9380 6.9380 7.0909 7.0909 7.9283 7.9283 9.8204 9.8204 11.1925 11.1925 12.0398 12.0398 13.5651 13.5651 k = 0.3370-0.4818-0.2966 ( 3244 PWs) bands (ev): -15.8926 -15.8926 -15.8865 -15.8865 -12.9196 -12.9196 -12.9062 -12.9062 -12.8959 -12.8959 -4.3748 -4.3748 -3.4233 -3.4233 -1.1877 -1.1877 3.7181 3.7181 4.0893 4.0893 4.3612 4.3612 4.7613 4.7613 5.3985 5.3985 5.5708 5.5708 5.8474 5.8474 6.5893 6.5893 6.9153 6.9153 7.0649 7.0649 7.8711 7.8711 9.7941 9.7941 11.2224 11.2224 12.0637 12.0637 13.5669 13.5669 k = 0.3478-0.4974-0.3062 ( 3245 PWs) bands (ev): -15.8925 -15.8925 -15.8864 -15.8864 -12.9198 -12.9198 -12.9062 -12.9062 -12.8953 -12.8953 -4.3236 -4.3236 -3.4236 -3.4236 -1.2206 -1.2206 3.6649 3.6649 4.0712 4.0712 4.3514 4.3514 4.7806 4.7806 5.4123 5.4123 5.5681 5.5681 5.8546 5.8546 6.5730 6.5730 6.8916 6.8916 7.0411 7.0411 7.8108 7.8108 9.7620 9.7620 11.2544 11.2544 12.0877 12.0877 13.5638 13.5638 k = 0.3587-0.5129-0.3157 ( 3247 PWs) bands (ev): -15.8924 -15.8924 -15.8864 -15.8864 -12.9201 -12.9201 -12.9062 -12.9062 -12.8948 -12.8948 -4.2722 -4.2722 -3.4256 -3.4256 -1.2534 -1.2534 3.6114 3.6114 4.0524 4.0524 4.3410 4.3410 4.8102 4.8102 5.4272 5.4272 5.5662 5.5662 5.8629 5.8629 6.5550 6.5550 6.8671 6.8671 7.0195 7.0195 7.7479 7.7479 9.7262 9.7262 11.2875 11.2875 12.1115 12.1115 13.5565 13.5565 k = 0.3696-0.5285-0.3253 ( 3245 PWs) bands (ev): -15.8923 -15.8923 -15.8863 -15.8863 -12.9203 -12.9203 -12.9062 -12.9062 -12.8943 -12.8943 -4.2206 -4.2206 -3.4293 -3.4293 -1.2857 -1.2857 3.5583 3.5583 4.0334 4.0334 4.3306 4.3306 4.8486 4.8486 5.4430 5.4430 5.5648 5.5648 5.8722 5.8722 6.5354 6.5354 6.8419 6.8419 7.0000 7.0000 7.6828 7.6828 9.6885 9.6885 11.3206 11.3206 12.1349 12.1349 13.5462 13.5462 k = 0.3804-0.5440-0.3349 ( 3249 PWs) bands (ev): -15.8922 -15.8922 -15.8862 -15.8862 -12.9205 -12.9205 -12.9062 -12.9062 -12.8938 -12.8938 -4.1692 -4.1692 -3.4350 -3.4350 -1.3171 -1.3171 3.5066 3.5066 4.0145 4.0145 4.3204 4.3204 4.8941 4.8941 5.4593 5.4593 5.5638 5.5638 5.8821 5.8821 6.5146 6.5146 6.8157 6.8157 6.9830 6.9830 7.6164 7.6164 9.6505 9.6505 11.3529 11.3529 12.1577 12.1577 13.5340 13.5340 k = 0.3913-0.5596-0.3445 ( 3250 PWs) bands (ev): -15.8921 -15.8921 -15.8862 -15.8862 -12.9208 -12.9208 -12.9062 -12.9062 -12.8933 -12.8933 -4.1179 -4.1179 -3.4429 -3.4429 -1.3474 -1.3474 3.4572 3.4572 3.9963 3.9963 4.3108 4.3108 4.9450 4.9450 5.4759 5.4759 5.5632 5.5632 5.8925 5.8925 6.4930 6.4930 6.7882 6.7882 6.9688 6.9688 7.5493 7.5493 9.6134 9.6134 11.3837 11.3837 12.1796 12.1796 13.5209 13.5209 k = 0.4022-0.5751-0.3540 ( 3250 PWs) bands (ev): -15.8920 -15.8920 -15.8861 -15.8861 -12.9210 -12.9210 -12.9062 -12.9062 -12.8929 -12.8929 -4.0672 -4.0672 -3.4530 -3.4530 -1.3761 -1.3761 3.4106 3.4106 3.9792 3.9792 4.3019 4.3019 5.0001 5.0001 5.4923 5.4923 5.5627 5.5627 5.9030 5.9030 6.4711 6.4711 6.7591 6.7591 6.9575 6.9575 7.4827 7.4827 9.5782 9.5782 11.4125 11.4125 12.2003 12.2003 13.5076 13.5076 k = 0.4130-0.5907-0.3636 ( 3252 PWs) bands (ev): -15.8920 -15.8920 -15.8861 -15.8861 -12.9212 -12.9212 -12.9062 -12.9062 -12.8925 -12.8925 -4.0171 -4.0171 -3.4656 -3.4656 -1.4029 -1.4029 3.3676 3.3676 3.9633 3.9633 4.2939 4.2939 5.0578 5.0578 5.5081 5.5081 5.5626 5.5626 5.9133 5.9133 6.4495 6.4495 6.7283 6.7283 6.9494 6.9494 7.4175 7.4175 9.5456 9.5456 11.4388 11.4388 12.2196 12.2196 13.4947 13.4947 k = 0.4239-0.6062-0.3732 ( 3253 PWs) bands (ev): -15.8919 -15.8919 -15.8860 -15.8860 -12.9213 -12.9213 -12.9062 -12.9062 -12.8922 -12.8922 -3.9679 -3.9679 -3.4808 -3.4808 -1.4275 -1.4275 3.3285 3.3285 3.9489 3.9489 4.2867 4.2867 5.1167 5.1167 5.5228 5.5228 5.5628 5.5628 5.9231 5.9231 6.4287 6.4287 6.6958 6.6958 6.9446 6.9446 7.3549 7.3549 9.5162 9.5162 11.4623 11.4623 12.2372 12.2372 13.4825 13.4825 k = 0.4348-0.6217-0.3827 ( 3255 PWs) bands (ev): -15.8919 -15.8919 -15.8860 -15.8860 -12.9215 -12.9215 -12.9062 -12.9062 -12.8918 -12.8918 -3.9198 -3.9198 -3.4986 -3.4986 -1.4495 -1.4495 3.2939 3.2939 3.9362 3.9362 4.2805 4.2805 5.1752 5.1752 5.5353 5.5353 5.5639 5.5639 5.9321 5.9321 6.4093 6.4093 6.6621 6.6621 6.9430 6.9430 7.2961 7.2961 9.4903 9.4903 11.4829 11.4829 12.2529 12.2529 13.4714 13.4714 k = 0.4457-0.6373-0.3923 ( 3255 PWs) bands (ev): -15.8918 -15.8918 -15.8859 -15.8859 -12.9216 -12.9216 -12.9062 -12.9062 -12.8916 -12.8916 -3.8730 -3.8730 -3.5192 -3.5192 -1.4687 -1.4687 3.2640 3.2640 3.9254 3.9254 4.2751 4.2751 5.2315 5.2315 5.5444 5.5444 5.5667 5.5667 5.9400 5.9400 6.3921 6.3921 6.6282 6.6282 6.9447 6.9447 7.2419 7.2419 9.4682 9.4682 11.5005 11.5005 12.2665 12.2665 13.4616 13.4616 k = 0.4565-0.6528-0.4019 ( 3252 PWs) bands (ev): -15.8918 -15.8918 -15.8859 -15.8859 -12.9218 -12.9218 -12.9062 -12.9062 -12.8914 -12.8914 -3.8279 -3.8279 -3.5425 -3.5425 -1.4847 -1.4847 3.2392 3.2392 3.9164 3.9164 4.2708 4.2708 5.2836 5.2836 5.5491 5.5491 5.5718 5.5718 5.9466 5.9466 6.3776 6.3776 6.5956 6.5956 6.9493 6.9493 7.1936 7.1936 9.4500 9.4500 11.5149 11.5149 12.2780 12.2780 13.4534 13.4534 k = 0.4674-0.6684-0.4114 ( 3248 PWs) bands (ev): -15.8918 -15.8918 -15.8859 -15.8859 -12.9218 -12.9218 -12.9062 -12.9062 -12.8912 -12.8912 -3.7846 -3.7846 -3.5686 -3.5686 -1.4975 -1.4975 3.2196 3.2196 3.9093 3.9093 4.2674 4.2674 5.3291 5.3291 5.5505 5.5505 5.5775 5.5775 5.9517 5.9517 6.3662 6.3662 6.5661 6.5661 6.9566 6.9566 7.1519 7.1519 9.4358 9.4358 11.5261 11.5261 12.2870 12.2870 13.4468 13.4468 k = 0.4783-0.6839-0.4210 ( 3244 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9219 -12.9219 -12.9062 -12.9062 -12.8911 -12.8911 -3.7436 -3.7436 -3.5972 -3.5972 -1.5067 -1.5067 3.2056 3.2056 3.9042 3.9042 4.2649 4.2649 5.3650 5.3650 5.5504 5.5504 5.5821 5.5821 5.9553 5.9553 6.3582 6.3582 6.5423 6.5423 6.9656 6.9656 7.1182 7.1182 9.4257 9.4257 11.5341 11.5341 12.2935 12.2935 13.4421 13.4421 k = 0.4891-0.6995-0.4306 ( 3244 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.7057 -3.7057 -3.6275 -3.6275 -1.5123 -1.5123 3.1971 3.1971 3.9012 3.9012 4.2635 4.2635 5.3885 5.3885 5.5498 5.5498 5.5848 5.5848 5.9573 5.9573 6.3536 6.3536 6.5267 6.5267 6.9739 6.9739 7.0949 7.0949 9.4196 9.4196 11.5389 11.5389 12.2975 12.2975 13.4392 13.4392 k = 0.5000-0.7150-0.4401 ( 3246 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6811 -3.6811 -3.6496 -3.6496 -1.5142 -1.5142 3.1942 3.1942 3.9002 3.9002 4.2630 4.2630 5.3967 5.3967 5.5495 5.5495 5.5856 5.5856 5.9579 5.9579 6.3521 6.3521 6.5212 6.5212 6.9776 6.9776 7.0862 7.0862 9.4175 9.4175 11.5405 11.5405 12.2988 12.2988 13.4382 13.4382 k = 0.5000-0.7150-0.4401 ( 3246 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6811 -3.6811 -3.6496 -3.6496 -1.5142 -1.5142 3.1942 3.1942 3.9002 3.9002 4.2630 4.2630 5.3967 5.3967 5.5495 5.5495 5.5856 5.5856 5.9579 5.9579 6.3521 6.3521 6.5212 6.5212 6.9776 6.9776 7.0862 7.0862 9.4175 9.4175 11.5405 11.5405 12.2988 12.2988 13.4382 13.4382 k = 0.5000-0.7040-0.4580 ( 3246 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9219 -12.9219 -12.9062 -12.9062 -12.8910 -12.8910 -3.6805 -3.6805 -3.6491 -3.6491 -1.5149 -1.5149 3.1952 3.1952 3.9009 3.9009 4.2638 4.2638 5.3945 5.3945 5.5373 5.5373 5.5992 5.5992 5.9567 5.9567 6.3399 6.3399 6.5190 6.5190 6.9205 6.9205 7.1558 7.1558 9.4238 9.4238 11.5379 11.5379 12.2941 12.2941 13.4418 13.4418 k = 0.5000-0.6930-0.4759 ( 3240 PWs) bands (ev): -15.8917 -15.8917 -15.8858 -15.8858 -12.9219 -12.9219 -12.9062 -12.9062 -12.8911 -12.8911 -3.6787 -3.6787 -3.6478 -3.6478 -1.5172 -1.5172 3.1982 3.1982 3.9029 3.9029 4.2663 4.2663 5.3881 5.3881 5.5171 5.5171 5.6233 5.6233 5.9527 5.9527 6.3080 6.3080 6.5039 6.5039 6.8512 6.8512 7.2668 7.2668 9.4424 9.4424 11.5302 11.5302 12.2801 12.2801 13.4524 13.4524 k = 0.5000-0.6819-0.4938 ( 3244 PWs) bands (ev): -15.8917 -15.8917 -15.8859 -15.8859 -12.9217 -12.9217 -12.9062 -12.9062 -12.8912 -12.8912 -3.6757 -3.6757 -3.6457 -3.6457 -1.5209 -1.5209 3.2033 3.2033 3.9063 3.9063 4.2704 4.2704 5.3772 5.3772 5.4969 5.4969 5.6497 5.6497 5.9454 5.9454 6.2648 6.2648 6.4611 6.4611 6.8113 6.8113 7.3851 7.3851 9.4728 9.4728 11.5177 11.5177 12.2572 12.2572 13.4699 13.4699 k = 0.5000-0.6709-0.5117 ( 3248 PWs) bands (ev): -15.8917 -15.8917 -15.8859 -15.8859 -12.9216 -12.9216 -12.9062 -12.9062 -12.8914 -12.8914 -3.6715 -3.6715 -3.6427 -3.6427 -1.5262 -1.5262 3.2102 3.2102 3.9109 3.9109 4.2762 4.2762 5.3620 5.3620 5.4777 5.4777 5.6768 5.6768 5.9336 5.9336 6.2164 6.2164 6.3915 6.3915 6.8010 6.8010 7.5060 7.5060 9.5139 9.5139 11.5007 11.5007 12.2263 12.2263 13.4942 13.4942 k = 0.5000-0.6599-0.5296 ( 3242 PWs) bands (ev): -15.8916 -15.8916 -15.8859 -15.8859 -12.9213 -12.9213 -12.9062 -12.9062 -12.8916 -12.8916 -3.6662 -3.6662 -3.6389 -3.6389 -1.5329 -1.5329 3.2192 3.2192 3.9168 3.9168 4.2835 4.2835 5.3427 5.3427 5.4590 5.4590 5.7039 5.7039 5.9160 5.9160 6.1662 6.1662 6.3094 6.3094 6.8079 6.8079 7.6274 7.6274 9.5645 9.5645 11.4798 11.4798 12.1882 12.1882 13.5250 13.5250 k = 0.5000-0.6489-0.5476 ( 3240 PWs) bands (ev): -15.8915 -15.8915 -15.8860 -15.8860 -12.9211 -12.9211 -12.9061 -12.9061 -12.8919 -12.8919 -3.6598 -3.6598 -3.6343 -3.6343 -1.5410 -1.5410 3.2300 3.2300 3.9237 3.9237 4.2924 4.2924 5.3197 5.3197 5.4396 5.4396 5.7297 5.7297 5.8918 5.8918 6.1126 6.1126 6.2310 6.2310 6.8220 6.8220 7.7481 7.7481 9.6230 9.6230 11.4560 11.4560 12.1439 12.1439 13.5622 13.5622 k = 0.5000-0.6379-0.5655 ( 3240 PWs) bands (ev): -15.8914 -15.8914 -15.8860 -15.8860 -12.9207 -12.9207 -12.9061 -12.9061 -12.8922 -12.8922 -3.6524 -3.6524 -3.6289 -3.6289 -1.5504 -1.5504 3.2427 3.2427 3.9315 3.9315 4.3027 4.3027 5.2934 5.2934 5.4183 5.4183 5.7511 5.7511 5.8630 5.8630 6.0482 6.0482 6.1725 6.1725 6.8383 6.8383 7.8669 7.8669 9.6874 9.6874 11.4305 11.4305 12.0943 12.0943 13.6056 13.6056 k = 0.5000-0.6268-0.5834 ( 3240 PWs) bands (ev): -15.8913 -15.8913 -15.8861 -15.8861 -12.9204 -12.9204 -12.9061 -12.9061 -12.8925 -12.8925 -3.6440 -3.6440 -3.6228 -3.6228 -1.5613 -1.5613 3.2572 3.2572 3.9401 3.9401 4.3143 4.3143 5.2640 5.2640 5.3937 5.3937 5.7579 5.7579 5.8402 5.8402 5.9737 5.9737 6.1385 6.1385 6.8546 6.8546 7.9827 7.9827 9.7555 9.7555 11.4048 11.4048 12.0404 12.0404 13.6552 13.6552 k = 0.5000-0.6158-0.6013 ( 3238 PWs) bands (ev): -15.8912 -15.8912 -15.8861 -15.8861 -12.9200 -12.9200 -12.9061 -12.9061 -12.8929 -12.8929 -3.6348 -3.6348 -3.6159 -3.6159 -1.5733 -1.5733 3.2734 3.2734 3.9492 3.9492 4.3272 4.3272 5.2314 5.2314 5.3648 5.3648 5.7343 5.7343 5.8339 5.8339 5.9062 5.9062 6.1209 6.1209 6.8698 6.8698 8.0945 8.0945 9.8251 9.8251 11.3808 11.3808 11.9830 11.9830 13.7108 13.7108 k = 0.5000-0.6048-0.6192 ( 3240 PWs) bands (ev): -15.8911 -15.8911 -15.8862 -15.8862 -12.9196 -12.9196 -12.9060 -12.9060 -12.8933 -12.8933 -3.6248 -3.6248 -3.6082 -3.6082 -1.5866 -1.5866 3.2912 3.2912 3.9585 3.9585 4.3411 4.3411 5.1954 5.1954 5.3308 5.3308 5.6895 5.6895 5.8046 5.8046 5.8858 5.8858 6.1130 6.1130 6.8836 6.8836 8.2011 8.2011 9.8933 9.8933 11.3610 11.3610 11.9232 11.9232 13.7724 13.7724 k = 0.5000-0.5938-0.6371 ( 3244 PWs) bands (ev): -15.8910 -15.8910 -15.8863 -15.8863 -12.9191 -12.9191 -12.9060 -12.9060 -12.8937 -12.8937 -3.6143 -3.6143 -3.5998 -3.5998 -1.6009 -1.6009 3.3106 3.3106 3.9677 3.9677 4.3558 4.3558 5.1561 5.1561 5.2914 5.2914 5.6345 5.6345 5.7575 5.7575 5.9011 5.9011 6.1120 6.1120 6.8959 6.8959 8.3014 8.3014 9.9574 9.9574 11.3480 11.3480 11.8616 11.8616 13.8399 13.8399 k = 0.5000-0.5828-0.6550 ( 3244 PWs) bands (ev): -15.8909 -15.8909 -15.8863 -15.8863 -12.9186 -12.9186 -12.9060 -12.9060 -12.8942 -12.8942 -3.6035 -3.6035 -3.5906 -3.5906 -1.6163 -1.6163 3.3314 3.3314 3.9763 3.9763 4.3710 4.3710 5.1139 5.1139 5.2467 5.2467 5.5761 5.5761 5.7196 5.7196 5.9213 5.9213 6.1167 6.1167 6.9066 6.9066 8.3939 8.3939 10.0145 10.0145 11.3445 11.3445 11.7993 11.7993 13.9129 13.9129 k = 0.5000-0.5717-0.6729 ( 3250 PWs) bands (ev): -15.8908 -15.8908 -15.8864 -15.8864 -12.9181 -12.9181 -12.9060 -12.9060 -12.8947 -12.8947 -3.5927 -3.5927 -3.5804 -3.5804 -1.6325 -1.6325 3.3534 3.3534 3.9837 3.9837 4.3862 4.3862 5.0700 5.0700 5.1968 5.1968 5.5205 5.5205 5.6911 5.6911 5.9406 5.9406 6.1267 6.1267 6.9159 6.9159 8.4772 8.4772 10.0621 10.0621 11.3528 11.3528 11.7375 11.7375 13.9900 13.9900 k = 0.5000-0.5607-0.6908 ( 3248 PWs) bands (ev): -15.8906 -15.8906 -15.8865 -15.8865 -12.9175 -12.9175 -12.9060 -12.9060 -12.8952 -12.8952 -3.5821 -3.5821 -3.5692 -3.5692 -1.6495 -1.6495 3.3765 3.3765 3.9895 3.9895 4.4009 4.4009 5.0261 5.0261 5.1427 5.1427 5.4717 5.4717 5.6695 5.6695 5.9572 5.9572 6.1419 6.1419 6.9238 6.9238 8.5497 8.5497 10.0987 10.0987 11.3738 11.3738 11.6780 11.6780 14.0401 14.0401 k = 0.5000-0.5497-0.7087 ( 3248 PWs) bands (ev): -15.8905 -15.8905 -15.8866 -15.8866 -12.9170 -12.9170 -12.9060 -12.9060 -12.8956 -12.8956 -3.5717 -3.5717 -3.5574 -3.5574 -1.6670 -1.6670 3.4004 3.4004 3.9928 3.9928 4.4142 4.4142 4.9844 4.9844 5.0860 5.0860 5.4309 5.4309 5.6527 5.6527 5.9708 5.9708 6.1619 6.1619 6.9305 6.9305 8.6100 8.6100 10.1240 10.1240 11.4051 11.4051 11.6245 11.6245 13.9868 13.9868 k = 0.5000-0.5387-0.7266 ( 3254 PWs) bands (ev): -15.8903 -15.8903 -15.8867 -15.8867 -12.9164 -12.9164 -12.9060 -12.9060 -12.8961 -12.8961 -3.5616 -3.5616 -3.5451 -3.5451 -1.6849 -1.6849 3.4249 3.4249 3.9932 3.9932 4.4251 4.4251 4.9470 4.9470 5.0292 5.0292 5.3977 5.3977 5.6394 5.6394 5.9815 5.9815 6.1860 6.1860 6.9361 6.9361 8.6565 8.6565 10.1388 10.1388 11.4351 11.4351 11.5889 11.5889 13.9245 13.9245 k = 0.5000-0.5277-0.7445 ( 3244 PWs) bands (ev): -15.8902 -15.8902 -15.8868 -15.8868 -12.9158 -12.9158 -12.9061 -12.9061 -12.8966 -12.8966 -3.5516 -3.5516 -3.5326 -3.5326 -1.7030 -1.7030 3.4495 3.4495 3.9900 3.9900 4.4321 4.4321 4.9159 4.9159 4.9749 4.9749 5.3713 5.3713 5.6287 5.6287 5.9898 5.9898 6.2134 6.2134 6.9406 6.9406 8.6880 8.6880 10.1448 10.1448 11.4352 11.4352 11.5989 11.5989 13.8655 13.8655 k = 0.5000-0.5166-0.7624 ( 3240 PWs) bands (ev): -15.8900 -15.8900 -15.8869 -15.8869 -12.9153 -12.9153 -12.9061 -12.9061 -12.8970 -12.8970 -3.5417 -3.5417 -3.5204 -3.5204 -1.7210 -1.7210 3.4739 3.4739 3.9830 3.9830 4.4335 4.4335 4.8927 4.8927 4.9262 4.9262 5.3507 5.3507 5.6199 5.6199 5.9963 5.9963 6.2434 6.2434 6.9441 6.9441 8.7038 8.7038 10.1439 10.1439 11.4043 11.4043 11.6541 11.6541 13.8113 13.8113 k = 0.5000-0.5056-0.7803 ( 3248 PWs) bands (ev): -15.8899 -15.8899 -15.8870 -15.8870 -12.9147 -12.9147 -12.9062 -12.9062 -12.8975 -12.8975 -3.5321 -3.5321 -3.5087 -3.5087 -1.7387 -1.7387 3.4974 3.4974 3.9725 3.9725 4.4278 4.4278 4.8772 4.8772 4.8867 4.8867 5.3351 5.3351 5.6128 5.6128 6.0015 6.0015 6.2751 6.2751 6.9466 6.9466 8.7036 8.7036 10.1373 10.1373 11.3665 11.3665 11.7287 11.7287 13.7624 13.7624 k = 0.5000-0.4946-0.7982 ( 3250 PWs) bands (ev): -15.8898 -15.8898 -15.8870 -15.8870 -12.9142 -12.9142 -12.9063 -12.9063 -12.8978 -12.8978 -3.5227 -3.5227 -3.4978 -3.4978 -1.7558 -1.7558 3.5192 3.5192 3.9592 3.9592 4.4139 4.4139 4.8537 4.8537 4.8744 4.8744 5.3241 5.3241 5.6070 5.6070 6.0059 6.0059 6.3080 6.3080 6.9483 6.9483 8.6881 8.6881 10.1256 10.1256 11.3319 11.3319 11.8109 11.8109 13.7195 13.7195 k = 0.5000-0.4836-0.8161 ( 3242 PWs) bands (ev): -15.8897 -15.8897 -15.8871 -15.8871 -12.9137 -12.9137 -12.9065 -12.9065 -12.8981 -12.8981 -3.5137 -3.5137 -3.4879 -3.4879 -1.7719 -1.7719 3.5381 3.5381 3.9447 3.9447 4.3918 4.3918 4.8345 4.8345 4.8771 4.8771 5.3173 5.3173 5.6025 5.6025 6.0096 6.0096 6.3418 6.3418 6.9491 6.9491 8.6582 8.6582 10.1089 10.1089 11.3040 11.3040 11.8955 11.8955 13.6832 13.6832 k = 0.5000-0.4726-0.8340 ( 3242 PWs) bands (ev): -15.8896 -15.8896 -15.8872 -15.8872 -12.9133 -12.9133 -12.9066 -12.9066 -12.8984 -12.8984 -3.5052 -3.5052 -3.4795 -3.4795 -1.7868 -1.7868 3.5528 3.5528 3.9309 3.9309 4.3631 4.3631 4.8254 4.8254 4.8870 4.8870 5.3149 5.3149 5.5992 5.5992 6.0129 6.0129 6.3761 6.3761 6.9490 6.9490 8.6155 8.6155 10.0869 10.0869 11.2843 11.2843 11.9789 11.9789 13.6543 13.6543 k = 0.5000-0.4615-0.8519 ( 3236 PWs) bands (ev): -15.8895 -15.8895 -15.8873 -15.8873 -12.9129 -12.9129 -12.9068 -12.9068 -12.8986 -12.8986 -3.4974 -3.4974 -3.4726 -3.4726 -1.8001 -1.8001 3.5617 3.5617 3.9202 3.9202 4.3298 4.3298 4.8253 4.8253 4.9023 4.9023 5.3168 5.3168 5.5971 5.5971 6.0160 6.0160 6.4106 6.4106 6.9481 6.9481 8.5618 8.5618 10.0592 10.0592 11.2734 11.2734 12.0585 12.0585 13.6334 13.6334 k = 0.5000-0.4505-0.8698 ( 3234 PWs) bands (ev): -15.8894 -15.8894 -15.8873 -15.8873 -12.9126 -12.9126 -12.9069 -12.9069 -12.8988 -12.8988 -3.4904 -3.4904 -3.4675 -3.4675 -1.8114 -1.8114 3.5636 3.5636 3.9146 3.9146 4.2946 4.2946 4.8320 4.8320 4.9215 4.9215 5.3234 5.3234 5.5962 5.5962 6.0189 6.0189 6.4451 6.4451 6.9465 6.9465 8.4988 8.4988 10.0260 10.0260 11.2709 11.2709 12.1319 12.1319 13.6213 13.6213 k = 0.5000-0.4395-0.8877 ( 3236 PWs) bands (ev): -15.8893 -15.8893 -15.8874 -15.8874 -12.9123 -12.9123 -12.9070 -12.9070 -12.8988 -12.8988 -3.4846 -3.4846 -3.4644 -3.4644 -1.8205 -1.8205 3.5582 3.5582 3.9152 3.9152 4.2595 4.2595 4.8437 4.8437 4.9432 4.9432 5.3350 5.3350 5.5970 5.5970 6.0219 6.0219 6.4794 6.4794 6.9440 6.9440 8.4282 8.4282 9.9878 9.9878 11.2760 11.2760 12.1970 12.1970 13.6184 13.6184 k = 0.5000-0.4285-0.9056 ( 3240 PWs) bands (ev): -15.8893 -15.8893 -15.8874 -15.8874 -12.9122 -12.9122 -12.9071 -12.9071 -12.8989 -12.8989 -3.4808 -3.4808 -3.4627 -3.4627 -1.8269 -1.8269 3.5461 3.5461 3.9215 3.9215 4.2264 4.2264 4.8584 4.8584 4.9662 4.9662 5.3516 5.3516 5.5995 5.5995 6.0249 6.0249 6.5132 6.5132 6.9408 6.9408 8.3516 8.3516 9.9453 9.9453 11.2873 11.2873 12.2525 12.2525 13.6250 13.6250 k = 0.5000-0.4175-0.9235 ( 3234 PWs) bands (ev): -15.8893 -15.8893 -15.8874 -15.8874 -12.9123 -12.9123 -12.9071 -12.9071 -12.8989 -12.8989 -3.4804 -3.4804 -3.4615 -3.4615 -1.8304 -1.8304 3.5292 3.5292 3.9320 3.9320 4.1969 4.1969 4.8748 4.8748 4.9899 4.9899 5.3733 5.3733 5.6043 5.6043 6.0282 6.0282 6.5462 6.5462 6.9370 6.9370 8.2705 8.2705 9.8997 9.8997 11.3035 11.3035 12.2975 12.2975 13.6407 13.6407 k = 0.5000-0.4064-0.9414 ( 3236 PWs) bands (ev): -15.8894 -15.8894 -15.8874 -15.8874 -12.9124 -12.9124 -12.9070 -12.9070 -12.8988 -12.8988 -3.4846 -3.4846 -3.4599 -3.4599 -1.8306 -1.8306 3.5094 3.5094 3.9442 3.9442 4.1728 4.1728 4.8915 4.8915 5.0137 5.0137 5.3998 5.3998 5.6118 5.6118 6.0320 6.0320 6.5782 6.5782 6.9326 6.9326 8.1861 8.1861 9.8523 9.8523 11.3231 11.3231 12.3316 12.3316 13.6648 13.6648 k = 0.5000-0.3954-0.9593 ( 3234 PWs) bands (ev): -15.8894 -15.8894 -15.8873 -15.8873 -12.9126 -12.9126 -12.9069 -12.9069 -12.8988 -12.8988 -3.4933 -3.4933 -3.4581 -3.4581 -1.8275 -1.8275 3.4885 3.4885 3.9553 3.9553 4.1560 4.1560 4.9077 4.9077 5.0370 5.0370 5.4303 5.4303 5.6230 5.6230 6.0363 6.0363 6.6087 6.6087 6.9278 6.9278 8.0994 8.0994 9.8040 9.8040 11.3448 11.3448 12.3555 12.3555 13.6957 13.6957 k = 0.5000-0.3844-0.9772 ( 3230 PWs) bands (ev): -15.8895 -15.8895 -15.8873 -15.8873 -12.9129 -12.9129 -12.9067 -12.9067 -12.8987 -12.8987 -3.5061 -3.5061 -3.4568 -3.4568 -1.8208 -1.8208 3.4679 3.4679 3.9629 3.9629 4.1482 4.1482 4.9226 4.9226 5.0595 5.0595 5.4637 5.4637 5.6389 5.6389 6.0416 6.0416 6.6373 6.6373 6.9230 6.9230 8.0115 8.0115 9.7561 9.7561 11.3674 11.3674 12.3699 12.3699 13.7314 13.7314 k = 0.8105-0.2866-0.7833 ( 3230 PWs) bands (ev): -15.8895 -15.8895 -15.8873 -15.8873 -12.9129 -12.9129 -12.9067 -12.9067 -12.8987 -12.8987 -3.5061 -3.5061 -3.4568 -3.4568 -1.8208 -1.8208 3.4679 3.4679 3.9629 3.9629 4.1482 4.1482 4.9226 4.9226 5.0595 5.0595 5.4637 5.4637 5.6389 5.6389 6.0416 6.0416 6.6373 6.6373 6.9230 6.9230 8.0115 8.0115 9.7561 9.7561 11.3674 11.3674 12.3699 12.3699 13.7314 13.7314 k = 0.8041-0.2773-0.7650 ( 3234 PWs) bands (ev): -15.8896 -15.8896 -15.8872 -15.8872 -12.9132 -12.9132 -12.9065 -12.9065 -12.8986 -12.8986 -3.5231 -3.5231 -3.4564 -3.4564 -1.8101 -1.8101 3.4483 3.4483 3.9656 3.9656 4.1502 4.1502 4.9364 4.9364 5.0812 5.0812 5.4988 5.4988 5.6616 5.6616 6.0484 6.0484 6.6637 6.6637 6.9183 6.9183 7.9211 7.9211 9.7085 9.7085 11.3903 11.3903 12.3763 12.3763 13.7707 13.7707 k = 0.7976-0.2681-0.7467 ( 3232 PWs) bands (ev): -15.8897 -15.8897 -15.8872 -15.8872 -12.9136 -12.9136 -12.9064 -12.9064 -12.8984 -12.8984 -3.5439 -3.5439 -3.4572 -3.4572 -1.7956 -1.7956 3.4313 3.4313 3.9641 3.9641 4.1611 4.1611 4.9487 4.9487 5.1010 5.1010 5.5327 5.5327 5.6923 5.6923 6.0570 6.0570 6.6864 6.6864 6.9146 6.9146 7.8313 7.8313 9.6632 9.6632 11.4123 11.4123 12.3756 12.3756 13.8105 13.8105 k = 0.7911-0.2588-0.7283 ( 3242 PWs) bands (ev): -15.8898 -15.8898 -15.8871 -15.8871 -12.9140 -12.9140 -12.9062 -12.9062 -12.8983 -12.8983 -3.5683 -3.5683 -3.4593 -3.4593 -1.7773 -1.7773 3.4173 3.4173 3.9606 3.9606 4.1781 4.1781 4.9595 4.9595 5.1183 5.1183 5.5633 5.5633 5.7320 5.7320 6.0680 6.0680 6.7041 6.7041 6.9127 6.9127 7.7431 7.7431 9.6211 9.6211 11.4325 11.4325 12.3692 12.3692 13.8485 13.8485 k = 0.7847-0.2496-0.7100 ( 3238 PWs) bands (ev): -15.8899 -15.8899 -15.8871 -15.8871 -12.9144 -12.9144 -12.9060 -12.9060 -12.8982 -12.8982 -3.5961 -3.5961 -3.4628 -3.4628 -1.7553 -1.7553 3.4071 3.4071 3.9571 3.9571 4.1987 4.1987 4.9690 4.9690 5.1330 5.1330 5.5899 5.5899 5.7805 5.7805 6.0822 6.0822 6.7154 6.7154 6.9133 6.9133 7.6578 7.6578 9.5828 9.5828 11.4505 11.4505 12.3582 12.3582 13.8829 13.8829 k = 0.7782-0.2403-0.6916 ( 3238 PWs) bands (ev): -15.8900 -15.8900 -15.8870 -15.8870 -12.9148 -12.9148 -12.9058 -12.9058 -12.8981 -12.8981 -3.6271 -3.6271 -3.4677 -3.4677 -1.7297 -1.7297 3.4009 3.4009 3.9554 3.9554 4.2211 4.2211 4.9776 4.9776 5.1446 5.1446 5.6126 5.6126 5.8363 5.8363 6.1003 6.1003 6.7193 6.7193 6.9167 6.9167 7.5765 7.5765 9.5489 9.5489 11.4657 11.4657 12.3438 12.3438 13.9122 13.9122 k = 0.7717-0.2311-0.6733 ( 3240 PWs) bands (ev): -15.8902 -15.8902 -15.8870 -15.8870 -12.9151 -12.9151 -12.9057 -12.9057 -12.8980 -12.8980 -3.6609 -3.6609 -3.4741 -3.4741 -1.7009 -1.7009 3.3990 3.3990 3.9561 3.9561 4.2441 4.2441 4.9853 4.9853 5.1533 5.1533 5.6315 5.6315 5.8976 5.8976 6.1230 6.1230 6.7155 6.7155 6.9221 6.9221 7.5010 7.5010 9.5198 9.5198 11.4780 11.4780 12.3267 12.3267 13.9354 13.9354 k = 0.7652-0.2218-0.6550 ( 3236 PWs) bands (ev): -15.8903 -15.8903 -15.8869 -15.8869 -12.9155 -12.9155 -12.9055 -12.9055 -12.8980 -12.8980 -3.6974 -3.6974 -3.4820 -3.4820 -1.6689 -1.6689 3.4018 3.4018 3.9600 3.9600 4.2670 4.2670 4.9923 4.9923 5.1592 5.1592 5.6465 5.6465 5.9630 5.9630 6.1508 6.1508 6.7043 6.7043 6.9279 6.9279 7.4333 7.4333 9.4959 9.4959 11.4870 11.4870 12.3075 12.3075 13.9518 13.9518 k = 0.7588-0.2126-0.6366 ( 3240 PWs) bands (ev): -15.8905 -15.8905 -15.8869 -15.8869 -12.9158 -12.9158 -12.9054 -12.9054 -12.8979 -12.8979 -3.7361 -3.7361 -3.4914 -3.4914 -1.6342 -1.6342 3.4092 3.4092 3.9673 3.9673 4.2890 4.2890 4.9986 4.9986 5.1625 5.1625 5.6576 5.6576 6.0310 6.0310 6.1843 6.1843 6.6861 6.6861 6.9321 6.9321 7.3758 7.3758 9.4775 9.4775 11.4928 11.4928 12.2866 12.2866 13.9613 13.9613 k = 0.7523-0.2033-0.6183 ( 3240 PWs) bands (ev): -15.8906 -15.8906 -15.8868 -15.8868 -12.9161 -12.9161 -12.9053 -12.9053 -12.8979 -12.8979 -3.7769 -3.7769 -3.5022 -3.5022 -1.5968 -1.5968 3.4215 3.4215 3.9782 3.9782 4.3100 4.3100 5.0042 5.0042 5.1634 5.1634 5.6648 5.6648 6.1002 6.1002 6.2236 6.2236 6.6612 6.6612 6.9327 6.9327 7.3308 7.3308 9.4647 9.4647 11.4951 11.4951 12.2645 12.2645 13.9640 13.9640 k = 0.7458-0.1941-0.5999 ( 3246 PWs) bands (ev): -15.8908 -15.8908 -15.8868 -15.8868 -12.9164 -12.9164 -12.9051 -12.9051 -12.8980 -12.8980 -3.8195 -3.8195 -3.5145 -3.5145 -1.5572 -1.5572 3.4387 3.4387 3.9927 3.9927 4.3296 4.3296 5.0090 5.0090 5.1622 5.1622 5.6683 5.6683 6.1683 6.1683 6.2692 6.2692 6.6299 6.6299 6.9294 6.9294 7.2999 7.2999 9.4576 9.4576 11.4942 11.4942 12.2412 12.2412 13.9604 13.9604 k = 0.7394-0.1848-0.5816 ( 3240 PWs) bands (ev): -15.8909 -15.8909 -15.8868 -15.8868 -12.9166 -12.9166 -12.9050 -12.9050 -12.8980 -12.8980 -3.8634 -3.8634 -3.5282 -3.5282 -1.5155 -1.5155 3.4608 3.4608 4.0108 4.0108 4.3478 4.3478 5.0129 5.0129 5.1593 5.1593 5.6687 5.6687 6.2325 6.2325 6.3217 6.3217 6.5929 6.5929 6.9235 6.9235 7.2828 7.2828 9.4562 9.4562 11.4900 11.4900 12.2169 12.2169 13.9511 13.9511 k = 0.7329-0.1756-0.5633 ( 3246 PWs) bands (ev): -15.8911 -15.8911 -15.8868 -15.8868 -12.9168 -12.9168 -12.9050 -12.9050 -12.8982 -12.8982 -3.9086 -3.9086 -3.5432 -3.5432 -1.4721 -1.4721 3.4878 3.4878 4.0325 4.0325 4.3643 4.3643 5.0155 5.0155 5.1549 5.1549 5.6663 5.6663 6.2896 6.2896 6.3794 6.3794 6.5533 6.5533 6.9180 6.9180 7.2777 7.2777 9.4603 9.4603 11.4828 11.4828 12.1915 12.1915 13.9368 13.9368 k = 0.7264-0.1663-0.5449 ( 3240 PWs) bands (ev): -15.8913 -15.8913 -15.8868 -15.8868 -12.9170 -12.9170 -12.9049 -12.9049 -12.8983 -12.8983 -3.9546 -3.9546 -3.5595 -3.5595 -1.4270 -1.4270 3.5196 3.5196 4.0577 4.0577 4.3791 4.3791 5.0167 5.0167 5.1493 5.1493 5.6619 5.6619 6.3378 6.3378 6.4284 6.4284 6.5258 6.5258 6.9162 6.9162 7.2817 7.2817 9.4698 9.4698 11.4727 11.4727 12.1650 12.1650 13.9182 13.9182 k = 0.7200-0.1571-0.5266 ( 3232 PWs) bands (ev): -15.8914 -15.8914 -15.8868 -15.8868 -12.9172 -12.9172 -12.9048 -12.9048 -12.8985 -12.8985 -4.0013 -4.0013 -3.5770 -3.5770 -1.3807 -1.3807 3.5562 3.5562 4.0863 4.0863 4.3923 4.3923 5.0160 5.0160 5.1430 5.1430 5.6559 5.6559 6.3686 6.3686 6.4307 6.4307 6.5553 6.5553 6.9214 6.9214 7.2926 7.2926 9.4845 9.4845 11.4599 11.4599 12.1372 12.1372 13.8959 13.8959 k = 0.7135-0.1478-0.5082 ( 3232 PWs) bands (ev): -15.8916 -15.8916 -15.8868 -15.8868 -12.9173 -12.9173 -12.9047 -12.9047 -12.8987 -12.8987 -4.0484 -4.0484 -3.5956 -3.5956 -1.3334 -1.3334 3.5973 3.5973 4.1179 4.1179 4.4040 4.4040 5.0128 5.0128 5.1362 5.1362 5.6490 5.6490 6.3484 6.3484 6.4409 6.4409 6.6197 6.6197 6.9357 6.9357 7.3088 7.3088 9.5039 9.5039 11.4449 11.4449 12.1079 12.1079 13.8706 13.8706 k = 0.7070-0.1386-0.4899 ( 3232 PWs) bands (ev): -15.8918 -15.8918 -15.8868 -15.8868 -12.9174 -12.9174 -12.9047 -12.9047 -12.8990 -12.8990 -4.0957 -4.0957 -3.6151 -3.6151 -1.2851 -1.2851 3.6430 3.6430 4.1524 4.1524 4.4141 4.4141 5.0068 5.0068 5.1294 5.1294 5.6417 5.6417 6.2987 6.2987 6.4664 6.4664 6.6891 6.6891 6.9606 6.9606 7.3297 7.3297 9.5277 9.5277 11.4278 11.4278 12.0770 12.0770 13.8427 13.8427 k = 0.7006-0.1293-0.4716 ( 3234 PWs) bands (ev): -15.8920 -15.8920 -15.8868 -15.8868 -12.9175 -12.9175 -12.9046 -12.9046 -12.8992 -12.8992 -4.1431 -4.1431 -3.6356 -3.6356 -1.2363 -1.2363 3.6928 3.6928 4.1894 4.1894 4.4230 4.4230 4.9976 4.9976 5.1228 5.1228 5.6345 5.6345 6.2441 6.2441 6.4885 6.4885 6.7577 6.7577 6.9956 6.9956 7.3553 7.3553 9.5553 9.5553 11.4091 11.4091 12.0443 12.0443 13.8126 13.8126 k = 0.6941-0.1201-0.4532 ( 3234 PWs) bands (ev): -15.8922 -15.8922 -15.8868 -15.8868 -12.9175 -12.9175 -12.9045 -12.9045 -12.8996 -12.8996 -4.1903 -4.1903 -3.6569 -3.6569 -1.1869 -1.1869 3.7466 3.7466 4.2284 4.2284 4.4308 4.4308 4.9854 4.9854 5.1165 5.1165 5.6277 5.6277 6.1896 6.1896 6.5049 6.5049 6.8237 6.8237 7.0384 7.0384 7.3869 7.3869 9.5859 9.5859 11.3892 11.3892 12.0094 12.0094 13.7807 13.7807 k = 0.6876-0.1108-0.4349 ( 3232 PWs) bands (ev): -15.8924 -15.8924 -15.8868 -15.8868 -12.9176 -12.9176 -12.9045 -12.9045 -12.8999 -12.8999 -4.2371 -4.2371 -3.6789 -3.6789 -1.1374 -1.1374 3.8041 3.8041 4.2687 4.2687 4.4381 4.4381 4.9704 4.9704 5.1103 5.1103 5.6217 5.6217 6.1373 6.1373 6.5160 6.5160 6.8873 6.8873 7.0848 7.0848 7.4259 7.4259 9.6190 9.6190 11.3685 11.3685 11.9723 11.9723 13.7471 13.7471 k = 0.6811-0.1016-0.4165 ( 3230 PWs) bands (ev): -15.8926 -15.8926 -15.8868 -15.8868 -12.9176 -12.9176 -12.9044 -12.9044 -12.9003 -12.9003 -4.2835 -4.2835 -3.7014 -3.7014 -1.0877 -1.0877 3.8647 3.8647 4.3093 4.3093 4.4455 4.4455 4.9532 4.9532 5.1040 5.1040 5.6166 5.6166 6.0883 6.0883 6.5231 6.5231 6.9486 6.9486 7.1301 7.1301 7.4743 7.4743 9.6534 9.6534 11.3476 11.3476 11.9326 11.9326 13.7121 13.7121 k = 0.6747-0.0923-0.3982 ( 3230 PWs) bands (ev): -15.8928 -15.8928 -15.8868 -15.8868 -12.9176 -12.9176 -12.9043 -12.9043 -12.9006 -12.9006 -4.3292 -4.3292 -3.7244 -3.7244 -1.0381 -1.0381 3.9280 3.9280 4.3482 4.3482 4.4544 4.4544 4.9345 4.9345 5.0973 5.0973 5.6127 5.6127 6.0438 6.0438 6.5271 6.5271 7.0082 7.0082 7.1704 7.1704 7.5331 7.5331 9.6882 9.6882 11.3270 11.3270 11.8904 11.8904 13.6760 13.6760 k = 0.6682-0.0831-0.3799 ( 3240 PWs) bands (ev): -15.8930 -15.8930 -15.8868 -15.8868 -12.9177 -12.9177 -12.9043 -12.9043 -12.9010 -12.9010 -4.3742 -4.3742 -3.7476 -3.7476 -0.9888 -0.9888 3.9930 3.9930 4.3825 4.3825 4.4671 4.4671 4.9154 4.9154 5.0903 5.0903 5.6101 5.6101 6.0045 6.0045 6.5292 6.5292 7.0662 7.0662 7.2042 7.2042 7.6019 7.6019 9.7222 9.7222 11.3076 11.3076 11.8455 11.8455 13.6390 13.6390 k = 0.6617-0.0738-0.3615 ( 3242 PWs) bands (ev): -15.8932 -15.8932 -15.8868 -15.8868 -12.9177 -12.9177 -12.9042 -12.9042 -12.9014 -12.9014 -4.4182 -4.4182 -3.7711 -3.7711 -0.9399 -0.9399 4.0585 4.0585 4.4088 4.4088 4.4865 4.4865 4.8969 4.8969 5.0833 5.0833 5.6089 5.6089 5.9712 5.9712 6.5302 6.5302 7.1227 7.1227 7.2316 7.2316 7.6792 7.6792 9.7538 9.7538 11.2898 11.2898 11.7980 11.7980 13.6017 13.6017 k = 0.6553-0.0646-0.3432 ( 3246 PWs) bands (ev): -15.8934 -15.8934 -15.8869 -15.8869 -12.9177 -12.9177 -12.9041 -12.9041 -12.9018 -12.9018 -4.4613 -4.4613 -3.7947 -3.7947 -0.8916 -0.8916 4.1226 4.1226 4.4273 4.4273 4.5118 4.5118 4.8803 4.8803 5.0771 5.0771 5.6092 5.6092 5.9446 5.9446 6.5304 6.5304 7.1773 7.1773 7.2538 7.2538 7.7625 7.7625 9.7818 9.7818 11.2744 11.2744 11.7481 11.7481 13.5647 13.5647 k = 0.6488-0.0553-0.3249 ( 3246 PWs) bands (ev): -15.8936 -15.8936 -15.8869 -15.8869 -12.9178 -12.9178 -12.9040 -12.9040 -12.9022 -12.9022 -4.5032 -4.5032 -3.8183 -3.8183 -0.8440 -0.8440 4.1823 4.1823 4.4427 4.4427 4.5381 4.5381 4.8668 4.8668 5.0731 5.0731 5.6110 5.6110 5.9252 5.9252 6.5305 6.5305 7.2294 7.2294 7.2724 7.2724 7.8497 7.8497 9.8044 9.8044 11.2618 11.2618 11.6964 11.6964 13.5289 13.5289 k = 0.6423-0.0460-0.3065 ( 3254 PWs) bands (ev): -15.8938 -15.8938 -15.8869 -15.8869 -12.9179 -12.9179 -12.9040 -12.9040 -12.9025 -12.9025 -4.5439 -4.5439 -3.8417 -3.8417 -0.7972 -0.7972 4.2335 4.2335 4.4593 4.4593 4.5620 4.5620 4.8574 4.8574 5.0732 5.0732 5.6144 5.6144 5.9136 5.9136 6.5306 6.5306 7.2732 7.2732 7.2940 7.2940 7.9390 7.9390 9.8201 9.8201 11.2521 11.2521 11.6438 11.6438 13.4954 13.4954 k = 0.6359-0.0368-0.2882 ( 3260 PWs) bands (ev): -15.8941 -15.8941 -15.8869 -15.8869 -12.9180 -12.9180 -12.9040 -12.9040 -12.9028 -12.9028 -4.5833 -4.5833 -3.8649 -3.8649 -0.7514 -0.7514 4.2719 4.2719 4.4773 4.4773 4.5842 4.5842 4.8525 4.8525 5.0796 5.0796 5.6195 5.6195 5.9100 5.9100 6.5312 6.5312 7.2925 7.2925 7.3354 7.3354 8.0287 8.0287 9.8277 9.8277 11.2444 11.2444 11.5923 11.5923 13.4655 13.4655 k = 0.6294-0.0275-0.2698 ( 3264 PWs) bands (ev): -15.8943 -15.8943 -15.8869 -15.8869 -12.9181 -12.9181 -12.9040 -12.9040 -12.9029 -12.9029 -4.6214 -4.6214 -3.8877 -3.8877 -0.7067 -0.7067 4.2964 4.2964 4.4908 4.4908 4.6090 4.6090 4.8533 4.8533 5.0937 5.0937 5.6265 5.6265 5.9147 5.9147 6.5324 6.5324 7.3031 7.3031 7.3811 7.3811 8.1174 8.1174 9.8260 9.8260 11.2365 11.2365 11.5447 11.5447 13.4405 13.4405 k = 0.6229-0.0183-0.2515 ( 3258 PWs) bands (ev): -15.8945 -15.8945 -15.8869 -15.8869 -12.9182 -12.9182 -12.9042 -12.9042 -12.9029 -12.9029 -4.6580 -4.6580 -3.9100 -3.9100 -0.6633 -0.6633 4.3095 4.3095 4.4936 4.4936 4.6355 4.6355 4.8636 4.8636 5.1153 5.1153 5.6358 5.6358 5.9280 5.9280 6.5344 6.5344 7.3113 7.3113 7.4250 7.4250 8.2036 8.2036 9.8146 9.8146 11.2239 11.2239 11.5061 11.5061 13.4220 13.4220 k = 0.6165-0.0090-0.2332 ( 3258 PWs) bands (ev): -15.8947 -15.8947 -15.8869 -15.8869 -12.9184 -12.9184 -12.9045 -12.9045 -12.9028 -12.9028 -4.6931 -4.6931 -3.9318 -3.9318 -0.6212 -0.6212 4.3147 4.3147 4.4864 4.4864 4.6541 4.6541 4.8894 4.8894 5.1428 5.1428 5.6480 5.6480 5.9498 5.9498 6.5377 6.5377 7.3179 7.3179 7.4666 7.4666 8.2859 8.2859 9.7934 9.7934 11.2013 11.2013 11.4822 11.4822 13.4113 13.4113 k = 0.6100 0.0002-0.2148 ( 3260 PWs) bands (ev): -15.8949 -15.8949 -15.8869 -15.8869 -12.9186 -12.9186 -12.9047 -12.9047 -12.9027 -12.9027 -4.7265 -4.7265 -3.9530 -3.9530 -0.5806 -0.5806 4.3149 4.3149 4.4727 4.4727 4.6578 4.6578 4.9328 4.9328 5.1739 5.1739 5.6638 5.6638 5.9800 5.9800 6.5426 6.5426 7.3232 7.3232 7.5054 7.5054 8.3626 8.3626 9.7628 9.7628 11.1658 11.1658 11.4759 11.4759 13.4096 13.4096 k = 0.6035 0.0095-0.1965 ( 3262 PWs) bands (ev): -15.8951 -15.8951 -15.8869 -15.8869 -12.9188 -12.9188 -12.9050 -12.9050 -12.9025 -12.9025 -4.7584 -4.7584 -3.9734 -3.9734 -0.5416 -0.5416 4.3117 4.3117 4.4555 4.4555 4.6485 4.6485 4.9878 4.9878 5.2064 5.2064 5.6841 5.6841 6.0181 6.0181 6.5495 6.5495 7.3277 7.3277 7.5412 7.5412 8.4321 8.4321 9.7236 9.7236 11.1200 11.1200 11.4850 11.4850 13.4182 13.4182 k = 0.5970 0.0187-0.1781 ( 3260 PWs) bands (ev): -15.8953 -15.8953 -15.8869 -15.8869 -12.9191 -12.9191 -12.9052 -12.9052 -12.9023 -12.9023 -4.7885 -4.7885 -3.9930 -3.9930 -0.5044 -0.5044 4.3060 4.3060 4.4368 4.4368 4.6315 4.6315 5.0470 5.0470 5.2385 5.2385 5.7103 5.7103 6.0636 6.0636 6.5590 6.5590 7.3315 7.3315 7.5739 7.5739 8.4925 8.4925 9.6771 9.6771 11.0687 11.0687 11.5047 11.5047 13.4376 13.4376 k = 0.5906 0.0280-0.1598 ( 3260 PWs) bands (ev): -15.8955 -15.8955 -15.8869 -15.8869 -12.9193 -12.9193 -12.9055 -12.9055 -12.9021 -12.9021 -4.8169 -4.8169 -4.0116 -4.0116 -0.4689 -0.4689 4.2984 4.2984 4.4178 4.4178 4.6102 4.6102 5.1047 5.1047 5.2692 5.2692 5.7435 5.7435 6.1153 6.1153 6.5718 6.5718 7.3348 7.3348 7.6033 7.6033 8.5418 8.5418 9.6248 9.6248 11.0164 11.0164 11.5309 11.5309 13.4682 13.4682 k = 0.5841 0.0372-0.1415 ( 3254 PWs) bands (ev): -15.8957 -15.8957 -15.8869 -15.8869 -12.9196 -12.9196 -12.9057 -12.9057 -12.9019 -12.9019 -4.8436 -4.8436 -4.0294 -4.0294 -0.4354 -0.4354 4.2892 4.2892 4.3995 4.3995 4.5872 4.5872 5.1571 5.1571 5.2977 5.2977 5.7844 5.7844 6.1722 6.1722 6.5889 6.5889 7.3378 7.3378 7.6292 7.6292 8.5781 8.5781 9.5680 9.5680 10.9666 10.9666 11.5610 11.5610 13.5096 13.5096 k = 0.5776 0.0465-0.1231 ( 3260 PWs) bands (ev): -15.8959 -15.8959 -15.8869 -15.8869 -12.9199 -12.9199 -12.9059 -12.9059 -12.9017 -12.9017 -4.8684 -4.8684 -4.0460 -4.0460 -0.4038 -0.4038 4.2786 4.2786 4.3822 4.3822 4.5637 4.5637 5.2024 5.2024 5.3233 5.3233 5.8327 5.8327 6.2328 6.2328 6.6115 6.6115 7.3407 7.3407 7.6515 7.6515 8.5995 8.5995 9.5083 9.5083 10.9218 10.9218 11.5930 11.5930 13.5595 13.5595 k = 0.5712 0.0557-0.1048 ( 3256 PWs) bands (ev): -15.8960 -15.8960 -15.8868 -15.8868 -12.9202 -12.9202 -12.9061 -12.9061 -12.9015 -12.9015 -4.8913 -4.8913 -4.0616 -4.0616 -0.3744 -0.3744 4.2670 4.2670 4.3663 4.3663 4.5407 4.5407 5.2401 5.2401 5.3459 5.3459 5.8869 5.8869 6.2961 6.2961 6.6406 6.6406 7.3437 7.3437 7.6699 7.6699 8.6049 8.6049 9.4472 9.4472 10.8838 10.8838 11.6262 11.6262 13.6098 13.6098 k = 0.5647 0.0650-0.0864 ( 3260 PWs) bands (ev): -15.8962 -15.8962 -15.8868 -15.8868 -12.9205 -12.9205 -12.9062 -12.9062 -12.9013 -12.9013 -4.9123 -4.9123 -4.0760 -4.0760 -0.3473 -0.3473 4.2548 4.2548 4.3519 4.3519 4.5190 4.5190 5.2706 5.2706 5.3652 5.3652 5.9442 5.9442 6.3612 6.3612 6.6772 6.6772 7.3469 7.3469 7.6844 7.6844 8.5938 8.5938 9.3858 9.3858 10.8536 10.8536 11.6597 11.6597 13.6316 13.6316 k = 0.5582 0.0742-0.0681 ( 3262 PWs) bands (ev): -15.8964 -15.8964 -15.8868 -15.8868 -12.9207 -12.9207 -12.9064 -12.9064 -12.9010 -12.9010 -4.9315 -4.9315 -4.0892 -4.0892 -0.3224 -0.3224 4.2423 4.2423 4.3389 4.3389 4.4988 4.4988 5.2950 5.2950 5.3815 5.3815 6.0009 6.0009 6.4285 6.4285 6.7211 6.7211 7.3504 7.3504 7.6949 7.6949 8.5667 8.5667 9.3251 9.3251 10.8316 10.8316 11.6935 11.6935 13.6070 13.6070 k = 0.5518 0.0835-0.0498 ( 3256 PWs) bands (ev): -15.8965 -15.8965 -15.8868 -15.8868 -12.9210 -12.9210 -12.9065 -12.9065 -12.9009 -12.9009 -4.9486 -4.9486 -4.1011 -4.1011 -0.2999 -0.2999 4.2300 4.2300 4.3272 4.3272 4.4807 4.4807 5.3145 5.3145 5.3951 5.3951 6.0533 6.0533 6.4991 6.4991 6.7713 6.7713 7.3543 7.3543 7.7016 7.7016 8.5252 8.5252 9.2657 9.2657 10.8173 10.8173 11.7272 11.7272 13.5651 13.5651 k = 0.5453 0.0927-0.0314 ( 3258 PWs) bands (ev): -15.8966 -15.8966 -15.8868 -15.8868 -12.9212 -12.9212 -12.9066 -12.9066 -12.9007 -12.9007 -4.9638 -4.9638 -4.1117 -4.1117 -0.2798 -0.2798 4.2183 4.2183 4.3166 4.3166 4.4648 4.4648 5.3300 5.3300 5.4063 5.4063 6.0987 6.0987 6.5741 6.5741 6.8250 6.8250 7.3581 7.3581 7.7053 7.7053 8.4717 8.4717 9.2085 9.2085 10.8096 10.8096 11.7605 11.7605 13.5202 13.5202 k = 0.5388 0.1020-0.0131 ( 3254 PWs) bands (ev): -15.8967 -15.8967 -15.8868 -15.8868 -12.9215 -12.9215 -12.9067 -12.9067 -12.9005 -12.9005 -4.9771 -4.9771 -4.1210 -4.1210 -0.2623 -0.2623 4.2076 4.2076 4.3072 4.3072 4.4511 4.4511 5.3423 5.3423 5.4155 5.4155 6.1358 6.1358 6.6541 6.6541 6.8791 6.8791 7.3609 7.3609 7.7073 7.7073 8.4092 8.4092 9.1545 9.1545 10.8070 10.8070 11.7929 11.7929 13.4765 13.4765 k = 0.5323 0.1112 0.0052 ( 3258 PWs) bands (ev): -15.8968 -15.8968 -15.8868 -15.8868 -12.9216 -12.9216 -12.9068 -12.9068 -12.9004 -12.9004 -4.9883 -4.9883 -4.1289 -4.1289 -0.2473 -0.2473 4.1982 4.1982 4.2989 4.2989 4.4397 4.4397 5.3518 5.3518 5.4229 5.4229 6.1645 6.1645 6.7379 6.7379 6.9300 6.9300 7.3605 7.3605 7.7101 7.7101 8.3410 8.3410 9.1049 9.1049 10.8081 10.8081 11.8237 11.8237 13.4361 13.4361 k = 0.5259 0.1205 0.0236 ( 3256 PWs) bands (ev): -15.8969 -15.8969 -15.8868 -15.8868 -12.9218 -12.9218 -12.9068 -12.9068 -12.9003 -12.9003 -4.9975 -4.9975 -4.1354 -4.1354 -0.2350 -0.2350 4.1902 4.1902 4.2919 4.2919 4.4306 4.4306 5.3591 5.3591 5.4287 5.4287 6.1859 6.1859 6.8236 6.8236 6.9746 6.9746 7.3536 7.3536 7.7174 7.7174 8.2703 8.2703 9.0612 9.0612 10.8112 10.8112 11.8517 11.8517 13.4002 13.4002 k = 0.5194 0.1297 0.0419 ( 3254 PWs) bands (ev): -15.8969 -15.8969 -15.8868 -15.8868 -12.9219 -12.9219 -12.9069 -12.9069 -12.9002 -12.9002 -5.0046 -5.0046 -4.1405 -4.1405 -0.2254 -0.2254 4.1839 4.1839 4.2863 4.2863 4.4236 4.4236 5.3644 5.3644 5.4332 5.4332 6.2012 6.2012 6.9078 6.9078 7.0110 7.0110 7.3364 7.3364 7.7323 7.7323 8.2012 8.2012 9.0250 9.0250 10.8150 10.8150 11.8756 11.8756 13.3704 13.3704 k = 0.5129 0.1390 0.0603 ( 3244 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9220 -12.9220 -12.9069 -12.9069 -12.9001 -12.9001 -5.0097 -5.0097 -4.1441 -4.1441 -0.2185 -0.2185 4.1793 4.1793 4.2822 4.2822 4.4187 4.4187 5.3681 5.3681 5.4363 5.4363 6.2113 6.2113 6.9841 6.9841 7.0402 7.0402 7.3076 7.3076 7.7544 7.7544 8.1390 8.1390 8.9979 8.9979 10.8185 10.8185 11.8940 11.8940 13.3479 13.3479 k = 0.5065 0.1482 0.0786 ( 3252 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9069 -12.9069 -12.9001 -12.9001 -5.0128 -5.0128 -4.1463 -4.1463 -0.2144 -0.2144 4.1765 4.1765 4.2796 4.2796 4.4158 4.4158 5.3702 5.3702 5.4382 5.4382 6.2171 6.2171 7.0327 7.0327 7.0734 7.0734 7.2724 7.2724 7.7771 7.7771 8.0923 8.0923 8.9811 8.9811 10.8208 10.8208 11.9057 11.9057 13.3339 13.3339 k = 0.5000 0.1575 0.0969 ( 3248 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9069 -12.9069 -12.9000 -12.9000 -5.0138 -5.0138 -4.1471 -4.1471 -0.2130 -0.2130 4.1755 4.1755 4.2788 4.2788 4.4149 4.4149 5.3709 5.3709 5.4388 5.4388 6.2190 6.2190 7.0437 7.0437 7.0980 7.0980 7.2524 7.2524 7.7874 7.7874 8.0740 8.0740 8.9754 8.9754 10.8216 10.8216 11.9097 11.9097 13.3291 13.3291 k = 0.5000 0.1575 0.0969 ( 3248 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9069 -12.9069 -12.9000 -12.9000 -5.0138 -5.0138 -4.1471 -4.1471 -0.2130 -0.2130 4.1755 4.1755 4.2788 4.2788 4.4149 4.4149 5.3709 5.3709 5.4388 5.4388 6.2190 6.2190 7.0437 7.0437 7.0980 7.0980 7.2524 7.2524 7.7874 7.7874 8.0740 8.0740 8.9754 8.9754 10.8216 10.8216 11.9097 11.9097 13.3291 13.3291 k = 0.4800 0.1512 0.0931 ( 3245 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9069 -12.9069 -12.9000 -12.9000 -5.0155 -5.0155 -4.1444 -4.1444 -0.2152 -0.2152 4.1779 4.1779 4.2789 4.2789 4.4151 4.4151 5.3711 5.3711 5.4388 5.4388 6.2193 6.2193 7.0344 7.0344 7.0968 7.0968 7.2621 7.2621 7.7892 7.7892 8.0692 8.0692 8.9778 8.9778 10.8197 10.8197 11.9066 11.9066 13.3297 13.3297 k = 0.4600 0.1449 0.0892 ( 3245 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9069 -12.9069 -12.9000 -12.9000 -5.0203 -5.0203 -4.1366 -4.1366 -0.2217 -0.2217 4.1848 4.1848 4.2791 4.2791 4.4160 4.4160 5.3717 5.3717 5.4388 5.4388 6.2203 6.2203 7.0105 7.0105 7.0931 7.0931 7.2872 7.2872 7.7946 7.7946 8.0549 8.0549 8.9848 8.9848 10.8139 10.8139 11.8974 11.8974 13.3312 13.3312 k = 0.4400 0.1386 0.0853 ( 3245 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9069 -12.9069 -12.9000 -12.9000 -5.0282 -5.0282 -4.1238 -4.1238 -0.2326 -0.2326 4.1962 4.1962 4.2795 4.2795 4.4174 4.4174 5.3727 5.3727 5.4388 5.4388 6.2219 6.2219 6.9786 6.9786 7.0871 7.0871 7.3210 7.3210 7.8034 7.8034 8.0319 8.0319 8.9958 8.9958 10.8043 10.8043 11.8823 11.8823 13.3332 13.3332 k = 0.4200 0.1323 0.0814 ( 3248 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9069 -12.9069 -12.9000 -12.9000 -5.0386 -5.0386 -4.1064 -4.1064 -0.2474 -0.2474 4.2117 4.2117 4.2800 4.2800 4.4196 4.4196 5.3740 5.3740 5.4388 5.4388 6.2241 6.2241 6.9429 6.9429 7.0790 7.0790 7.3590 7.3590 7.8153 7.8153 8.0016 8.0016 9.0098 9.0098 10.7913 10.7913 11.8618 11.8618 13.3347 13.3347 k = 0.4000 0.1260 0.0776 ( 3248 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9069 -12.9069 -12.9000 -12.9000 -5.0514 -5.0514 -4.0849 -4.0849 -0.2662 -0.2662 4.2311 4.2311 4.2806 4.2806 4.4226 4.4226 5.3757 5.3757 5.4388 5.4388 6.2269 6.2269 6.9056 6.9056 7.0692 7.0692 7.3986 7.3986 7.8301 7.8301 7.9656 7.9656 9.0258 9.0258 10.7752 10.7752 11.8363 11.8363 13.3345 13.3345 k = 0.3800 0.1197 0.0737 ( 3254 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9069 -12.9069 -12.9001 -12.9001 -5.0659 -5.0659 -4.0599 -4.0599 -0.2884 -0.2884 4.2537 4.2537 4.2814 4.2814 4.4267 4.4267 5.3779 5.3779 5.4388 5.4388 6.2302 6.2302 6.8678 6.8678 7.0579 7.0579 7.4377 7.4377 7.8473 7.8473 7.9259 7.9259 9.0428 9.0428 10.7563 10.7563 11.8064 11.8064 13.3315 13.3315 k = 0.3600 0.1134 0.0698 ( 3239 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9069 -12.9069 -12.9001 -12.9001 -5.0817 -5.0817 -4.0319 -4.0319 -0.3139 -0.3139 4.2787 4.2787 4.2823 4.2823 4.4324 4.4324 5.3804 5.3804 5.4388 5.4388 6.2341 6.2341 6.8303 6.8303 7.0454 7.0454 7.4741 7.4741 7.8666 7.8666 7.8853 7.8853 9.0597 9.0597 10.7352 10.7352 11.7728 11.7728 13.3246 13.3246 k = 0.3400 0.1071 0.0659 ( 3236 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9070 -12.9070 -12.9001 -12.9001 -5.0984 -5.0984 -4.0015 -4.0015 -0.3422 -0.3422 4.2833 4.2833 4.3049 4.3049 4.4404 4.4404 5.3832 5.3832 5.4388 5.4388 6.2385 6.2385 6.7934 6.7934 7.0322 7.0322 7.5042 7.5042 7.8477 7.8477 7.8876 7.8876 9.0758 9.0758 10.7123 10.7123 11.7361 11.7361 13.3127 13.3127 k = 0.3200 0.1008 0.0620 ( 3236 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9070 -12.9070 -12.9001 -12.9001 -5.1157 -5.1157 -3.9692 -3.9692 -0.3729 -0.3729 4.2844 4.2844 4.3306 4.3306 4.4521 4.4521 5.3864 5.3864 5.4389 5.4389 6.2433 6.2433 6.7575 6.7575 7.0184 7.0184 7.5222 7.5222 7.8196 7.8196 7.9099 7.9099 9.0904 9.0904 10.6881 10.6881 11.6971 11.6971 13.2956 13.2956 k = 0.3000 0.0945 0.0582 ( 3236 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9070 -12.9070 -12.9001 -12.9001 -5.1332 -5.1332 -3.9354 -3.9354 -0.4055 -0.4055 4.2855 4.2855 4.3533 4.3533 4.4693 4.4693 5.3900 5.3900 5.4389 5.4389 6.2485 6.2485 6.7229 6.7229 7.0043 7.0043 7.5211 7.5211 7.8087 7.8087 7.9330 7.9330 9.1030 9.1030 10.6633 10.6633 11.6565 11.6565 13.2732 13.2732 k = 0.2800 0.0882 0.0543 ( 3239 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9070 -12.9070 -12.9001 -12.9001 -5.1506 -5.1506 -3.9009 -3.9009 -0.4395 -0.4395 4.2866 4.2866 4.3714 4.3714 4.4933 4.4933 5.3938 5.3938 5.4389 5.4389 6.2541 6.2541 6.6897 6.6897 6.9902 6.9902 7.4982 7.4982 7.8179 7.8179 7.9568 7.9568 9.1130 9.1130 10.6382 10.6382 11.6149 11.6149 13.2461 13.2461 k = 0.2600 0.0819 0.0504 ( 3239 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9070 -12.9070 -12.9001 -12.9001 -5.1675 -5.1675 -3.8659 -3.8659 -0.4745 -0.4745 4.2878 4.2878 4.3845 4.3845 4.5236 4.5236 5.3980 5.3980 5.4390 5.4390 6.2598 6.2598 6.6584 6.6584 6.9762 6.9762 7.4587 7.4587 7.8427 7.8427 7.9807 7.9807 9.1203 9.1203 10.6135 10.6135 11.5731 11.5731 13.2152 13.2152 k = 0.2400 0.0756 0.0465 ( 3245 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9070 -12.9070 -12.9001 -12.9001 -5.1840 -5.1840 -3.8310 -3.8310 -0.5099 -0.5099 4.2890 4.2890 4.3939 4.3939 4.5586 4.5586 5.4024 5.4024 5.4390 5.4390 6.2656 6.2656 6.6290 6.6290 6.9627 6.9627 7.4094 7.4094 7.8767 7.8767 8.0046 8.0046 9.1246 9.1246 10.5896 10.5896 11.5315 11.5315 13.1816 13.1816 k = 0.2200 0.0693 0.0427 ( 3239 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9070 -12.9070 -12.9001 -12.9001 -5.1996 -5.1996 -3.7966 -3.7966 -0.5452 -0.5452 4.2902 4.2902 4.4008 4.4008 4.5964 4.5964 5.4071 5.4071 5.4392 5.4392 6.2713 6.2713 6.6022 6.6022 6.9497 6.9497 7.3550 7.3550 7.9153 7.9153 8.0280 8.0280 9.1258 9.1258 10.5668 10.5668 11.4909 11.4909 13.1465 13.1465 k = 0.2000 0.0630 0.0388 ( 3236 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9070 -12.9070 -12.9001 -12.9001 -5.2143 -5.2143 -3.7632 -3.7632 -0.5798 -0.5798 4.2914 4.2914 4.4061 4.4061 4.6353 4.6353 5.4120 5.4120 5.4392 5.4392 6.2765 6.2765 6.5781 6.5781 6.9373 6.9373 7.2986 7.2986 7.9558 7.9558 8.0507 8.0507 9.1241 9.1241 10.5457 10.5457 11.4518 11.4518 13.1109 13.1109 k = 0.1800 0.0567 0.0349 ( 3236 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9070 -12.9070 -12.9001 -12.9001 -5.2279 -5.2279 -3.7312 -3.7312 -0.6133 -0.6133 4.2925 4.2925 4.4104 4.4104 4.6741 4.6741 5.4169 5.4169 5.4393 5.4393 6.2810 6.2810 6.5573 6.5573 6.9258 6.9258 7.2419 7.2419 7.9968 7.9968 8.0723 8.0723 9.1195 9.1195 10.5263 10.5263 11.4146 11.4146 13.0759 13.0759 k = 0.1600 0.0504 0.0310 ( 3239 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9070 -12.9070 -12.9001 -12.9001 -5.2404 -5.2404 -3.7012 -3.7012 -0.6450 -0.6450 4.2936 4.2936 4.4140 4.4140 4.7119 4.7119 5.4220 5.4220 5.4394 5.4394 6.2844 6.2844 6.5403 6.5403 6.9152 6.9152 7.1864 7.1864 8.0371 8.0371 8.0926 8.0926 9.1124 9.1124 10.5089 10.5089 11.3800 11.3800 13.0424 13.0424 k = 0.1400 0.0441 0.0271 ( 3245 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9070 -12.9070 -12.9001 -12.9001 -5.2516 -5.2516 -3.6734 -3.6734 -0.6745 -0.6745 4.2946 4.2946 4.4169 4.4169 4.7477 4.7477 5.4270 5.4270 5.4395 5.4395 6.2863 6.2863 6.5275 6.5275 6.9057 6.9057 7.1329 7.1329 8.0757 8.0757 8.1112 8.1112 9.1033 9.1033 10.4937 10.4937 11.3482 11.3482 13.0112 13.0112 k = 0.1200 0.0378 0.0233 ( 3233 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9070 -12.9070 -12.9001 -12.9001 -5.2614 -5.2614 -3.6483 -3.6483 -0.7012 -0.7012 4.2955 4.2955 4.4194 4.4194 4.7807 4.7807 5.4319 5.4319 5.4397 5.4397 6.2868 6.2868 6.5189 6.5189 6.8972 6.8972 7.0828 7.0828 8.1119 8.1119 8.1280 8.1280 9.0928 9.0928 10.4806 10.4806 11.3199 11.3199 12.9828 12.9828 k = 0.1000 0.0315 0.0194 ( 3245 PWs) bands (ev): -15.8970 -15.8970 -15.8869 -15.8869 -12.9221 -12.9221 -12.9071 -12.9071 -12.9001 -12.9001 -5.2698 -5.2698 -3.6263 -3.6263 -0.7247 -0.7247 4.2962 4.2962 4.4215 4.4215 4.8100 4.8100 5.4364 5.4364 5.4397 5.4397 6.2857 6.2857 6.5146 6.5146 6.8899 6.8899 7.0369 7.0369 8.1427 8.1427 8.1447 8.1447 9.0817 9.0817 10.4697 10.4697 11.2952 11.2952 12.9580 12.9580 k = 0.0800 0.0252 0.0155 ( 3245 PWs) bands (ev): -15.8970 -15.8970 -15.8869 -15.8869 -12.9221 -12.9221 -12.9071 -12.9071 -12.9001 -12.9001 -5.2768 -5.2768 -3.6078 -3.6078 -0.7446 -0.7446 4.2969 4.2969 4.4231 4.4231 4.8352 4.8352 5.4398 5.4398 5.4405 5.4405 6.2835 6.2835 6.5137 6.5137 6.8839 6.8839 6.9964 6.9964 8.1550 8.1550 8.1733 8.1733 9.0708 9.0708 10.4609 10.4609 11.2745 11.2745 12.9370 12.9370 k = 0.0600 0.0189 0.0116 ( 3245 PWs) bands (ev): -15.8970 -15.8970 -15.8869 -15.8869 -12.9221 -12.9221 -12.9071 -12.9071 -12.9001 -12.9001 -5.2823 -5.2823 -3.5930 -3.5930 -0.7605 -0.7605 4.2974 4.2974 4.4244 4.4244 4.8554 4.8554 5.4398 5.4398 5.4440 5.4440 6.2808 6.2808 6.5153 6.5153 6.8792 6.8792 6.9628 6.9628 8.1648 8.1648 8.1968 8.1968 9.0609 9.0609 10.4541 10.4541 11.2582 11.2582 12.9204 12.9204 k = 0.0400 0.0126 0.0078 ( 3238 PWs) bands (ev): -15.8970 -15.8970 -15.8869 -15.8869 -12.9221 -12.9221 -12.9071 -12.9071 -12.9001 -12.9001 -5.2862 -5.2862 -3.5823 -3.5823 -0.7721 -0.7721 4.2978 4.2978 4.4253 4.4253 4.8702 4.8702 5.4399 5.4399 5.4466 5.4466 6.2783 6.2783 6.5180 6.5180 6.8757 6.8757 6.9372 6.9372 8.1719 8.1719 8.2143 8.2143 9.0531 9.0531 10.4494 10.4494 11.2463 11.2463 12.9083 12.9083 k = 0.0200 0.0063 0.0039 ( 3229 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9071 -12.9071 -12.9001 -12.9001 -5.2885 -5.2885 -3.5757 -3.5757 -0.7791 -0.7791 4.2980 4.2980 4.4259 4.4259 4.8793 4.8793 5.4400 5.4400 5.4483 5.4483 6.2765 6.2765 6.5204 6.5204 6.8737 6.8737 6.9211 6.9211 8.1762 8.1762 8.2252 8.2252 9.0481 9.0481 10.4466 10.4466 11.2392 11.2392 12.9010 12.9010 k = 0.0000 0.0000 0.0000 ( 3211 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9071 -12.9071 -12.9001 -12.9001 -5.2893 -5.2893 -3.5735 -3.5735 -0.7815 -0.7815 4.2981 4.2981 4.4261 4.4261 4.8824 4.8824 5.4401 5.4401 5.4490 5.4490 6.2759 6.2759 6.5213 6.5213 6.8730 6.8730 6.9157 6.9157 8.1777 8.1777 8.2289 8.2289 9.0464 9.0464 10.4457 10.4457 11.2368 11.2368 12.8985 12.8985 k = 0.0000 0.0000 0.0000 ( 3211 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9071 -12.9071 -12.9001 -12.9001 -5.2893 -5.2893 -3.5735 -3.5735 -0.7815 -0.7815 4.2981 4.2981 4.4261 4.4261 4.8824 4.8824 5.4401 5.4401 5.4490 5.4490 6.2759 6.2759 6.5213 6.5213 6.8730 6.8730 6.9157 6.9157 8.1777 8.1777 8.2289 8.2289 9.0464 9.0464 10.4457 10.4457 11.2368 11.2368 12.8985 12.8985 k = 0.0064-0.0091-0.0181 ( 3219 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9071 -12.9071 -12.9001 -12.9001 -5.2882 -5.2882 -3.5732 -3.5732 -0.7816 -0.7816 4.2976 4.2976 4.4254 4.4254 4.8810 4.8810 5.4387 5.4387 5.4476 5.4476 6.2680 6.2680 6.5191 6.5191 6.8837 6.8837 6.9211 6.9211 8.1660 8.1660 8.2211 8.2211 9.0564 9.0564 10.4492 10.4492 11.2332 11.2332 12.9102 12.9102 k = 0.0128-0.0183-0.0362 ( 3227 PWs) bands (ev): -15.8970 -15.8970 -15.8869 -15.8869 -12.9220 -12.9220 -12.9070 -12.9070 -12.9001 -12.9001 -5.2850 -5.2850 -3.5721 -3.5721 -0.7819 -0.7819 4.2959 4.2959 4.4234 4.4234 4.8769 4.8769 5.4334 5.4334 5.4450 5.4450 6.2454 6.2454 6.5151 6.5151 6.9008 6.9008 6.9485 6.9485 8.1285 8.1285 8.2028 8.2028 9.0839 9.0839 10.4595 10.4595 11.2232 11.2232 12.9446 12.9446 k = 0.0192-0.0274-0.0543 ( 3237 PWs) bands (ev): -15.8969 -15.8969 -15.8869 -15.8869 -12.9220 -12.9220 -12.9070 -12.9070 -12.9002 -12.9002 -5.2797 -5.2797 -3.5704 -3.5704 -0.7825 -0.7825 4.2929 4.2929 4.4202 4.4202 4.8699 4.8699 5.4228 5.4228 5.4425 5.4425 6.2113 6.2113 6.5138 6.5138 6.9111 6.9111 7.0032 7.0032 8.0661 8.0661 8.1791 8.1791 9.1235 9.1235 10.4759 10.4759 11.2095 11.2095 12.9993 12.9993 k = 0.0255-0.0365-0.0724 ( 3237 PWs) bands (ev): -15.8969 -15.8969 -15.8869 -15.8869 -12.9218 -12.9218 -12.9070 -12.9070 -12.9003 -12.9003 -5.2722 -5.2722 -3.5680 -3.5680 -0.7833 -0.7833 4.2886 4.2886 4.4159 4.4159 4.8601 4.8601 5.4076 5.4076 5.4400 5.4400 6.1702 6.1702 6.5167 6.5167 6.9207 6.9207 7.0723 7.0723 7.9855 7.9855 8.1495 8.1495 9.1690 9.1690 10.4971 10.4971 11.1955 11.1955 13.0711 13.0711 k = 0.0319-0.0456-0.0905 ( 3247 PWs) bands (ev): -15.8968 -15.8968 -15.8869 -15.8869 -12.9217 -12.9217 -12.9069 -12.9069 -12.9004 -12.9004 -5.2626 -5.2626 -3.5649 -3.5649 -0.7844 -0.7844 4.2827 4.2827 4.4108 4.4108 4.8473 4.8473 5.3885 5.3885 5.4371 5.4371 6.1265 6.1265 6.5233 6.5233 6.9323 6.9323 7.1486 7.1486 7.8926 7.8926 8.1136 8.1136 9.2161 9.2161 10.5215 10.5215 11.1855 11.1855 13.1566 13.1566 k = 0.0383-0.0548-0.1086 ( 3247 PWs) bands (ev): -15.8967 -15.8967 -15.8869 -15.8869 -12.9215 -12.9215 -12.9068 -12.9068 -12.9005 -12.9005 -5.2509 -5.2509 -3.5611 -3.5611 -0.7859 -0.7859 4.2750 4.2750 4.4050 4.4050 4.8315 4.8315 5.3662 5.3662 5.4339 5.4339 6.0831 6.0831 6.5321 6.5321 6.9471 6.9471 7.2279 7.2279 7.7917 7.7917 8.0718 8.0718 9.2616 9.2616 10.5466 10.5466 11.1835 11.1835 13.2520 13.2520 k = 0.0447-0.0639-0.1267 ( 3243 PWs) bands (ev): -15.8966 -15.8966 -15.8869 -15.8869 -12.9213 -12.9213 -12.9067 -12.9067 -12.9007 -12.9007 -5.2370 -5.2370 -3.5568 -3.5568 -0.7879 -0.7879 4.2655 4.2655 4.3986 4.3986 4.8127 4.8127 5.3417 5.3417 5.4302 5.4302 6.0421 6.0421 6.5418 6.5418 6.9654 6.9654 7.3069 7.3069 7.6857 7.6857 8.0254 8.0254 9.3040 9.3040 10.5703 10.5703 11.1928 11.1928 13.3538 13.3538 k = 0.0511-0.0730-0.1448 ( 3245 PWs) bands (ev): -15.8965 -15.8965 -15.8869 -15.8869 -12.9210 -12.9210 -12.9066 -12.9066 -12.9009 -12.9009 -5.2211 -5.2211 -3.5518 -3.5518 -0.7903 -0.7903 4.2539 4.2539 4.3914 4.3914 4.7914 4.7914 5.3156 5.3156 5.4261 5.4261 6.0043 6.0043 6.5509 6.5509 6.9876 6.9876 7.3816 7.3816 7.5767 7.5767 7.9771 7.9771 9.3423 9.3423 10.5908 10.5908 11.2154 11.2154 13.4585 13.4585 k = 0.0575-0.0822-0.1629 ( 3245 PWs) bands (ev): -15.8964 -15.8964 -15.8869 -15.8869 -12.9208 -12.9208 -12.9065 -12.9065 -12.9011 -12.9011 -5.2031 -5.2031 -3.5463 -3.5463 -0.7934 -0.7934 4.2404 4.2404 4.3831 4.3831 4.7679 4.7679 5.2889 5.2889 5.4216 5.4216 5.9702 5.9702 6.5585 6.5585 7.0137 7.0137 7.4459 7.4459 7.4671 7.4671 7.9324 7.9324 9.3766 9.3766 10.6077 10.6077 11.2514 11.2514 13.5629 13.5629 k = 0.0638-0.0913-0.1810 ( 3249 PWs) bands (ev): -15.8962 -15.8962 -15.8869 -15.8869 -12.9205 -12.9205 -12.9064 -12.9064 -12.9013 -12.9013 -5.1831 -5.1831 -3.5402 -3.5402 -0.7971 -0.7971 4.2251 4.2251 4.3732 4.3732 4.7433 4.7433 5.2622 5.2622 5.4168 5.4168 5.9397 5.9397 6.5635 6.5635 7.0426 7.0426 7.3576 7.3576 7.4906 7.4906 7.9015 7.9015 9.4071 9.4071 10.6214 10.6214 11.2992 11.2992 13.6633 13.6633 k = 0.0702-0.1004-0.1991 ( 3253 PWs) bands (ev): -15.8961 -15.8961 -15.8869 -15.8869 -12.9202 -12.9202 -12.9062 -12.9062 -12.9015 -12.9015 -5.1610 -5.1610 -3.5337 -3.5337 -0.8016 -0.8016 4.2082 4.2082 4.3610 4.3610 4.7186 4.7186 5.2361 5.2361 5.4116 5.4116 5.9127 5.9127 6.5652 6.5652 7.0698 7.0698 7.2553 7.2553 7.5004 7.5004 7.8985 7.8985 9.4344 9.4344 10.6333 10.6333 11.3561 11.3561 13.7564 13.7564 k = 0.0766-0.1095-0.2172 ( 3245 PWs) bands (ev): -15.8959 -15.8959 -15.8869 -15.8869 -12.9200 -12.9200 -12.9060 -12.9060 -12.9017 -12.9017 -5.1369 -5.1369 -3.5267 -3.5267 -0.8070 -0.8070 4.1898 4.1898 4.3460 4.3460 4.6954 4.6954 5.2108 5.2108 5.4061 5.4061 5.8889 5.8889 6.5629 6.5629 7.0686 7.0686 7.1861 7.1861 7.4721 7.4721 7.9282 7.9282 9.4589 9.4589 10.6450 10.6450 11.4191 11.4191 13.8385 13.8385 k = 0.0830-0.1187-0.2353 ( 3247 PWs) bands (ev): -15.8957 -15.8957 -15.8869 -15.8869 -12.9197 -12.9197 -12.9058 -12.9058 -12.9019 -12.9019 -5.1109 -5.1109 -3.5193 -3.5193 -0.8134 -0.8134 4.1701 4.1701 4.3274 4.3274 4.6750 4.6750 5.1863 5.1863 5.4004 5.4004 5.8678 5.8678 6.5556 6.5556 6.9971 6.9971 7.1908 7.1908 7.4180 7.4180 7.9807 7.9807 9.4814 9.4814 10.6575 10.6575 11.4850 11.4850 13.9060 13.9060 k = 0.0894-0.1278-0.2534 ( 3245 PWs) bands (ev): -15.8956 -15.8956 -15.8869 -15.8869 -12.9194 -12.9194 -12.9056 -12.9056 -12.9021 -12.9021 -5.0829 -5.0829 -3.5115 -3.5115 -0.8210 -0.8210 4.1492 4.1492 4.3054 4.3054 4.6583 4.6583 5.1627 5.1627 5.3943 5.3943 5.8491 5.8491 6.5415 6.5415 6.9038 6.9038 7.2125 7.2125 7.3605 7.3605 8.0443 8.0443 9.5024 9.5024 10.6717 10.6717 11.5512 11.5512 13.9558 13.9558 k = 0.0958-0.1369-0.2714 ( 3243 PWs) bands (ev): -15.8954 -15.8954 -15.8869 -15.8869 -12.9191 -12.9191 -12.9054 -12.9054 -12.9023 -12.9023 -5.0529 -5.0529 -3.5035 -3.5035 -0.8298 -0.8298 4.1271 4.1271 4.2804 4.2804 4.6458 4.6458 5.1396 5.1396 5.3878 5.3878 5.8325 5.8325 6.5175 6.5175 6.8142 6.8142 7.1910 7.1910 7.3446 7.3446 8.1121 8.1121 9.5222 9.5222 10.6882 10.6882 11.6154 11.6154 13.9856 13.9856 k = 0.1021-0.1461-0.2895 ( 3243 PWs) bands (ev): -15.8952 -15.8952 -15.8869 -15.8869 -12.9189 -12.9189 -12.9051 -12.9051 -12.9025 -12.9025 -5.0211 -5.0211 -3.4951 -3.4951 -0.8400 -0.8400 4.1038 4.1038 4.2534 4.2534 4.6376 4.6376 5.1169 5.1169 5.3809 5.3809 5.8177 5.8177 6.4785 6.4785 6.7374 6.7374 7.1171 7.1171 7.3794 7.3794 8.1805 8.1805 9.5414 9.5414 10.7071 10.7071 11.6757 11.6757 13.9951 13.9951 k = 0.1085-0.1552-0.3076 ( 3243 PWs) bands (ev): -15.8950 -15.8950 -15.8869 -15.8869 -12.9187 -12.9187 -12.9049 -12.9049 -12.9027 -12.9027 -4.9875 -4.9875 -3.4866 -3.4866 -0.8517 -0.8517 4.0794 4.0794 4.2257 4.2257 4.6332 4.6332 5.0945 5.0945 5.3733 5.3733 5.8045 5.8045 6.4204 6.4204 6.6788 6.6788 7.0260 7.0260 7.4308 7.4308 8.2474 8.2474 9.5602 9.5602 10.7286 10.7286 11.7306 11.7306 13.9853 13.9853 k = 0.1149-0.1643-0.3257 ( 3235 PWs) bands (ev): -15.8948 -15.8948 -15.8869 -15.8869 -12.9185 -12.9185 -12.9046 -12.9046 -12.9028 -12.9028 -4.9520 -4.9520 -3.4780 -3.4780 -0.8650 -0.8650 4.0539 4.0539 4.1987 4.1987 4.6320 4.6320 5.0723 5.0723 5.3650 5.3650 5.7927 5.7927 6.3453 6.3453 6.6372 6.6372 6.9293 6.9293 7.4880 7.4880 8.3118 8.3118 9.5788 9.5788 10.7524 10.7524 11.7789 11.7789 13.9591 13.9591 k = 0.1213-0.1735-0.3438 ( 3235 PWs) bands (ev): -15.8945 -15.8945 -15.8869 -15.8869 -12.9183 -12.9183 -12.9043 -12.9043 -12.9029 -12.9029 -4.9148 -4.9148 -3.4693 -3.4693 -0.8799 -0.8799 4.0275 4.0275 4.1732 4.1732 4.6335 4.6335 5.0500 5.0500 5.3555 5.3555 5.7820 5.7820 6.2599 6.2599 6.6064 6.6064 6.8307 6.8307 7.5480 7.5480 8.3728 8.3728 9.5973 9.5973 10.7785 10.7785 11.8200 11.8200 13.9196 13.9196 k = 0.1277-0.1826-0.3619 ( 3231 PWs) bands (ev): -15.8943 -15.8943 -15.8869 -15.8869 -12.9181 -12.9181 -12.9041 -12.9041 -12.9030 -12.9030 -4.8759 -4.8759 -3.4606 -3.4606 -0.8967 -0.8967 4.0007 4.0007 4.1501 4.1501 4.6371 4.6371 5.0277 5.0277 5.3447 5.3447 5.7723 5.7723 6.1698 6.1698 6.5808 6.5808 6.7322 6.7322 7.6094 7.6094 8.4300 8.4300 9.6157 9.6157 10.8065 10.8065 11.8533 11.8533 13.8698 13.8698 k = 0.1341-0.1917-0.3800 ( 3233 PWs) bands (ev): -15.8941 -15.8941 -15.8869 -15.8869 -12.9180 -12.9180 -12.9040 -12.9040 -12.9029 -12.9029 -4.8354 -4.8354 -3.4520 -3.4520 -0.9153 -0.9153 3.9741 3.9741 4.1295 4.1295 4.6423 4.6423 5.0054 5.0054 5.3321 5.3321 5.7633 5.7633 6.0787 6.0787 6.5569 6.5569 6.6358 6.6358 7.6713 7.6713 8.4831 8.4831 9.6340 9.6340 10.8362 10.8362 11.8790 11.8790 13.8121 13.8121 k = 0.1404-0.2008-0.3981 ( 3227 PWs) bands (ev): -15.8939 -15.8939 -15.8869 -15.8869 -12.9179 -12.9179 -12.9040 -12.9040 -12.9026 -12.9026 -4.7933 -4.7933 -3.4435 -3.4435 -0.9358 -0.9358 3.9484 3.9484 4.1116 4.1116 4.6488 4.6488 4.9831 4.9831 5.3172 5.3172 5.7548 5.7548 5.9886 5.9886 6.5231 6.5231 6.5524 6.5524 7.7331 7.7331 8.5318 8.5318 9.6521 9.6521 10.8673 10.8673 11.8974 11.8974 13.7486 13.7486 k = 0.1468-0.2100-0.4162 ( 3229 PWs) bands (ev): -15.8937 -15.8937 -15.8869 -15.8869 -12.9178 -12.9178 -12.9040 -12.9040 -12.9023 -12.9023 -4.7498 -4.7498 -3.4351 -3.4351 -0.9583 -0.9583 3.9242 3.9242 4.0961 4.0961 4.6563 4.6563 4.9610 4.9610 5.2996 5.2996 5.7459 5.7459 5.9013 5.9013 6.4422 6.4422 6.5197 6.5197 7.7940 7.7940 8.5759 8.5759 9.6699 9.6699 10.8995 10.8995 11.9090 11.9090 13.6810 13.6810 k = 0.1532-0.2191-0.4343 ( 3230 PWs) bands (ev): -15.8935 -15.8935 -15.8869 -15.8869 -12.9178 -12.9178 -12.9041 -12.9041 -12.9020 -12.9020 -4.7047 -4.7047 -3.4271 -3.4271 -0.9827 -0.9827 3.9019 3.9019 4.0831 4.0831 4.6644 4.6644 4.9391 4.9391 5.2786 5.2786 5.7332 5.7332 5.8208 5.8208 6.3555 6.3555 6.4969 6.4969 7.8534 7.8534 8.6156 8.6156 9.6872 9.6872 10.9323 10.9323 11.9148 11.9148 13.6110 13.6110 k = 0.1596-0.2282-0.4524 ( 3232 PWs) bands (ev): -15.8933 -15.8933 -15.8869 -15.8869 -12.9177 -12.9177 -12.9042 -12.9042 -12.9016 -12.9016 -4.6584 -4.6584 -3.4193 -3.4193 -1.0090 -1.0090 3.8821 3.8821 4.0724 4.0724 4.6729 4.6729 4.9177 4.9177 5.2536 5.2536 5.6991 5.6991 5.7654 5.7654 6.2730 6.2730 6.4748 6.4748 7.9106 7.9106 8.6507 8.6507 9.7039 9.7039 10.9654 10.9654 11.9159 11.9159 13.5404 13.5404 k = 0.1660-0.2374-0.4705 ( 3240 PWs) bands (ev): -15.8931 -15.8931 -15.8869 -15.8869 -12.9177 -12.9177 -12.9043 -12.9043 -12.9012 -12.9012 -4.6108 -4.6108 -3.4120 -3.4120 -1.0372 -1.0372 3.8648 3.8648 4.0638 4.0638 4.6816 4.6816 4.8970 4.8970 5.2242 5.2242 5.6318 5.6318 5.7468 5.7468 6.1961 6.1961 6.4526 6.4526 7.9648 7.9648 8.6813 8.6813 9.7199 9.7199 10.9984 10.9984 11.9133 11.9133 13.4707 13.4707 k = 0.1724-0.2465-0.4886 ( 3244 PWs) bands (ev): -15.8929 -15.8929 -15.8868 -15.8868 -12.9176 -12.9176 -12.9043 -12.9043 -12.9008 -12.9008 -4.5620 -4.5620 -3.4050 -3.4050 -1.0673 -1.0673 3.8501 3.8501 4.0574 4.0574 4.6900 4.6900 4.8773 4.8773 5.1899 5.1899 5.5577 5.5577 5.7391 5.7391 6.1258 6.1258 6.4302 6.4302 8.0154 8.0154 8.7075 8.7075 9.7353 9.7353 11.0310 11.0310 11.9083 11.9083 13.4033 13.4033 k = 0.1788-0.2556-0.5067 ( 3248 PWs) bands (ev): -15.8927 -15.8927 -15.8868 -15.8868 -12.9176 -12.9176 -12.9044 -12.9044 -12.9004 -12.9004 -4.5122 -4.5122 -3.3986 -3.3986 -1.0991 -1.0991 3.8379 3.8379 4.0532 4.0532 4.6980 4.6980 4.8590 4.8590 5.1510 5.1510 5.4849 5.4849 5.7342 5.7342 6.0626 6.0626 6.4077 6.4077 8.0616 8.0616 8.7294 8.7294 9.7499 9.7499 11.0626 11.0626 11.9019 11.9019 13.3397 13.3397 k = 0.1851-0.2647-0.5248 ( 3246 PWs) bands (ev): -15.8925 -15.8925 -15.8868 -15.8868 -12.9176 -12.9176 -12.9045 -12.9045 -12.9001 -12.9001 -4.4615 -4.4615 -3.3927 -3.3927 -1.1325 -1.1325 3.8280 3.8280 4.0510 4.0510 4.7051 4.7051 4.8425 4.8425 5.1077 5.1077 5.4148 5.4148 5.7304 5.7304 6.0069 6.0069 6.3851 6.3851 8.1024 8.1024 8.7471 8.7471 9.7640 9.7640 11.0930 11.0930 11.8953 11.8953 13.2809 13.2809 k = 0.1915-0.2739-0.5429 ( 3246 PWs) bands (ev): -15.8923 -15.8923 -15.8868 -15.8868 -12.9175 -12.9175 -12.9045 -12.9045 -12.8997 -12.8997 -4.4099 -4.4099 -3.3875 -3.3875 -1.1674 -1.1674 3.8199 3.8199 4.0508 4.0508 4.7108 4.7108 4.8281 4.8281 5.0614 5.0614 5.3474 5.3474 5.7273 5.7273 5.9585 5.9585 6.3626 6.3626 8.1373 8.1373 8.7606 8.7606 9.7778 9.7778 11.1218 11.1218 11.8892 11.8892 13.2280 13.2280 k = 0.1979-0.2830-0.5610 ( 3244 PWs) bands (ev): -15.8921 -15.8921 -15.8868 -15.8868 -12.9175 -12.9175 -12.9046 -12.9046 -12.8994 -12.8994 -4.3577 -4.3577 -3.3829 -3.3829 -1.2037 -1.2037 3.8134 3.8134 4.0526 4.0526 4.7143 4.7143 4.8162 4.8162 5.0138 5.0138 5.2827 5.2827 5.7245 5.7245 5.9174 5.9174 6.3403 6.3403 8.1653 8.1653 8.7702 8.7702 9.7915 9.7915 11.1485 11.1485 11.8845 11.8845 13.1817 13.1817 k = 0.2043-0.2921-0.5791 ( 3244 PWs) bands (ev): -15.8919 -15.8919 -15.8868 -15.8868 -12.9174 -12.9174 -12.9046 -12.9046 -12.8991 -12.8991 -4.3049 -4.3049 -3.3790 -3.3790 -1.2410 -1.2410 3.8077 3.8077 4.0562 4.0562 4.7151 4.7151 4.8066 4.8066 4.9674 4.9674 5.2204 5.2204 5.7218 5.7218 5.8832 5.8832 6.3183 6.3183 8.1857 8.1857 8.7757 8.7757 9.8056 9.8056 11.1729 11.1729 11.8817 11.8817 13.1428 13.1428 k = 0.2107-0.3013-0.5972 ( 3244 PWs) bands (ev): -15.8917 -15.8917 -15.8868 -15.8868 -12.9173 -12.9173 -12.9047 -12.9047 -12.8988 -12.8988 -4.2518 -4.2518 -3.3759 -3.3759 -1.2793 -1.2793 3.8024 3.8024 4.0613 4.0613 4.7125 4.7125 4.7983 4.7983 4.9256 4.9256 5.1606 5.1606 5.7187 5.7187 5.8556 5.8556 6.2967 6.2967 8.1980 8.1980 8.7774 8.7774 9.8202 9.8202 11.1948 11.1948 11.8814 11.8814 13.1117 13.1117 k = 0.2171-0.3104-0.6153 ( 3250 PWs) bands (ev): -15.8915 -15.8915 -15.8868 -15.8868 -12.9172 -12.9172 -12.9048 -12.9048 -12.8986 -12.8986 -4.1985 -4.1985 -3.3735 -3.3735 -1.3182 -1.3182 3.7969 3.7969 4.0672 4.0672 4.7059 4.7059 4.7892 4.7892 4.8928 4.8928 5.1033 5.1033 5.7148 5.7148 5.8341 5.8341 6.2758 6.2758 8.2018 8.2018 8.7753 8.7753 9.8356 9.8356 11.2140 11.2140 11.8838 11.8838 13.0888 13.0888 k = 0.2234-0.3195-0.6334 ( 3244 PWs) bands (ev): -15.8914 -15.8914 -15.8868 -15.8868 -12.9171 -12.9171 -12.9048 -12.9048 -12.8984 -12.8984 -4.1451 -4.1451 -3.3720 -3.3720 -1.3577 -1.3577 3.7907 3.7907 4.0734 4.0734 4.6946 4.6946 4.7780 4.7780 4.8724 4.8724 5.0493 5.0493 5.7097 5.7097 5.8186 5.8186 6.2557 6.2557 8.1968 8.1968 8.7695 8.7695 9.8518 9.8518 11.2305 11.2305 11.8892 11.8892 13.0742 13.0742 k = 0.2298-0.3286-0.6515 ( 3244 PWs) bands (ev): -15.8912 -15.8912 -15.8868 -15.8868 -12.9169 -12.9169 -12.9049 -12.9049 -12.8982 -12.8982 -4.0919 -4.0919 -3.3713 -3.3713 -1.3973 -1.3973 3.7833 3.7833 4.0787 4.0787 4.6787 4.6787 4.7663 4.7663 4.8637 4.8637 4.9996 4.9996 5.7031 5.7031 5.8088 5.8088 6.2365 6.2365 8.1829 8.1829 8.7601 8.7601 9.8689 9.8689 11.2443 11.2443 11.8978 11.8978 13.0678 13.0678 k = 0.2362-0.3378-0.6696 ( 3244 PWs) bands (ev): -15.8910 -15.8910 -15.8868 -15.8868 -12.9167 -12.9167 -12.9050 -12.9050 -12.8981 -12.8981 -4.0392 -4.0392 -3.3714 -3.3714 -1.4368 -1.4368 3.7745 3.7745 4.0819 4.0819 4.6610 4.6610 4.7553 4.7553 4.8622 4.8622 4.9564 4.9564 5.6950 5.6950 5.8041 5.8041 6.2185 6.2185 8.1604 8.1604 8.7473 8.7473 9.8866 9.8866 11.2556 11.2556 11.9095 11.9095 13.0695 13.0695 k = 0.2426-0.3469-0.6877 ( 3242 PWs) bands (ev): -15.8909 -15.8909 -15.8868 -15.8868 -12.9165 -12.9165 -12.9051 -12.9051 -12.8980 -12.8980 -3.9870 -3.9870 -3.3724 -3.3724 -1.4760 -1.4760 3.7641 3.7641 4.0819 4.0819 4.6455 4.6455 4.7426 4.7426 4.8650 4.8650 4.9229 4.9229 5.6858 5.6858 5.8038 5.8038 6.2017 6.2017 8.1296 8.1296 8.7311 8.7311 9.9047 9.9047 11.2644 11.2644 11.9245 11.9245 13.0788 13.0788 k = 0.2490-0.3560-0.7058 ( 3236 PWs) bands (ev): -15.8907 -15.8907 -15.8868 -15.8868 -12.9162 -12.9162 -12.9052 -12.9052 -12.8980 -12.8980 -3.9358 -3.9358 -3.3743 -3.3743 -1.5145 -1.5145 3.7519 3.7519 4.0778 4.0778 4.6345 4.6345 4.7247 4.7247 4.8708 4.8708 4.9025 4.9025 5.6761 5.6761 5.8073 5.8073 6.1865 6.1865 8.0911 8.0911 8.7116 8.7116 9.9227 9.9227 11.2709 11.2709 11.9427 11.9427 13.0951 13.0951 k = 0.2554-0.3652-0.7239 ( 3234 PWs) bands (ev): -15.8906 -15.8906 -15.8868 -15.8868 -12.9159 -12.9159 -12.9053 -12.9053 -12.8980 -12.8980 -3.8857 -3.8857 -3.3771 -3.3771 -1.5521 -1.5521 3.7380 3.7380 4.0693 4.0693 4.6265 4.6265 4.7031 4.7031 4.8792 4.8792 4.8959 4.8959 5.6662 5.6662 5.8138 5.8138 6.1729 6.1729 8.0453 8.0453 8.6889 8.6889 9.9403 9.9403 11.2753 11.2753 11.9639 11.9639 13.1180 13.1180 k = 0.2617-0.3743-0.7420 ( 3238 PWs) bands (ev): -15.8904 -15.8904 -15.8869 -15.8869 -12.9156 -12.9156 -12.9054 -12.9054 -12.8980 -12.8980 -3.8370 -3.8370 -3.3806 -3.3806 -1.5885 -1.5885 3.7225 3.7225 4.0570 4.0570 4.6127 4.6127 4.6889 4.6889 4.8863 4.8863 4.9040 4.9040 5.6564 5.6564 5.8231 5.8231 6.1614 6.1614 7.9931 7.9931 8.6631 8.6631 9.9572 9.9572 11.2777 11.2777 11.9882 11.9882 13.1465 13.1465 k = 0.2681-0.3834-0.7601 ( 3234 PWs) bands (ev): -15.8903 -15.8903 -15.8869 -15.8869 -12.9153 -12.9153 -12.9056 -12.9056 -12.8980 -12.8980 -3.7900 -3.7900 -3.3851 -3.3851 -1.6232 -1.6232 3.7056 3.7056 4.0418 4.0418 4.5851 4.5851 4.6921 4.6921 4.8910 4.8910 4.9244 4.9244 5.6470 5.6470 5.8351 5.8351 6.1520 6.1520 7.9352 7.9352 8.6342 8.6342 9.9729 9.9729 11.2783 11.2783 12.0152 12.0152 13.1800 13.1800 k = 0.2745-0.3925-0.7782 ( 3230 PWs) bands (ev): -15.8901 -15.8901 -15.8870 -15.8870 -12.9150 -12.9150 -12.9057 -12.9057 -12.8981 -12.8981 -3.7450 -3.7450 -3.3903 -3.3903 -1.6562 -1.6562 3.6876 3.6876 4.0249 4.0249 4.5486 4.5486 4.7081 4.7081 4.8961 4.8961 4.9519 4.9519 5.6381 5.6381 5.8497 5.8497 6.1454 6.1454 7.8723 7.8723 8.6022 8.6022 9.9874 9.9874 11.2770 11.2770 12.0447 12.0447 13.2177 13.2177 k = 0.2809-0.4017-0.7962 ( 3234 PWs) bands (ev): -15.8900 -15.8900 -15.8870 -15.8870 -12.9146 -12.9146 -12.9059 -12.9059 -12.8982 -12.8982 -3.7024 -3.7024 -3.3964 -3.3964 -1.6869 -1.6869 3.6689 3.6689 4.0074 4.0074 4.5089 4.5089 4.7306 4.7306 4.9018 4.9018 4.9849 4.9849 5.6298 5.6298 5.8667 5.8667 6.1418 6.1418 7.8050 7.8050 8.5673 8.5673 10.0002 10.0002 11.2739 11.2739 12.0763 12.0763 13.2588 13.2588 k = 0.2873-0.4108-0.8143 ( 3238 PWs) bands (ev): -15.8899 -15.8899 -15.8871 -15.8871 -12.9142 -12.9142 -12.9061 -12.9061 -12.8983 -12.8983 -3.6623 -3.6623 -3.4031 -3.4031 -1.7152 -1.7152 3.6499 3.6499 3.9902 3.9902 4.4688 4.4688 4.7559 4.7559 4.9082 4.9082 5.0225 5.0225 5.6222 5.6222 5.8860 5.8860 6.1420 6.1420 7.7341 7.7341 8.5296 8.5296 10.0115 10.0115 11.2690 11.2690 12.1094 12.1094 13.3024 13.3024 k = 0.2937-0.4199-0.8324 ( 3240 PWs) bands (ev): -15.8897 -15.8897 -15.8871 -15.8871 -12.9138 -12.9138 -12.9062 -12.9062 -12.8984 -12.8984 -3.6252 -3.6252 -3.4106 -3.4106 -1.7408 -1.7408 3.6313 3.6313 3.9738 3.9738 4.4292 4.4292 4.7813 4.7813 4.9155 4.9155 5.0640 5.0640 5.6154 5.6154 5.9076 5.9076 6.1467 6.1467 7.6601 7.6601 8.4890 8.4890 10.0211 10.0211 11.2624 11.2624 12.1435 12.1435 13.3478 13.3478 k = 0.3000-0.4291-0.8505 ( 3238 PWs) bands (ev): -15.8896 -15.8896 -15.8872 -15.8872 -12.9134 -12.9134 -12.9064 -12.9064 -12.8985 -12.8985 -3.5912 -3.5912 -3.4187 -3.4187 -1.7635 -1.7635 3.6134 3.6134 3.9587 3.9587 4.3909 4.3909 4.8048 4.8048 4.9243 4.9243 5.1089 5.1089 5.6096 5.6096 5.9309 5.9309 6.1570 6.1570 7.5835 7.5835 8.4457 8.4457 10.0290 10.0290 11.2540 11.2540 12.1777 12.1777 13.3941 13.3941 k = 0.3064-0.4382-0.8686 ( 3242 PWs) bands (ev): -15.8895 -15.8895 -15.8872 -15.8872 -12.9131 -12.9131 -12.9066 -12.9066 -12.8986 -12.8986 -3.5607 -3.5607 -3.4274 -3.4274 -1.7830 -1.7830 3.5967 3.5967 3.9449 3.9449 4.3544 4.3544 4.8248 4.8248 4.9348 4.9348 5.1562 5.1562 5.6047 5.6047 5.9555 5.9555 6.1738 6.1738 7.5050 7.5050 8.3998 8.3998 10.0354 10.0354 11.2438 11.2438 12.2113 12.2113 13.4404 13.4404 k = 0.3128-0.4473-0.8867 ( 3246 PWs) bands (ev): -15.8894 -15.8894 -15.8873 -15.8873 -12.9128 -12.9128 -12.9068 -12.9068 -12.8987 -12.8987 -3.5339 -3.5339 -3.4366 -3.4366 -1.7992 -1.7992 3.5816 3.5816 3.9326 3.9326 4.3201 4.3201 4.8403 4.8403 4.9469 4.9469 5.2052 5.2052 5.6010 5.6010 5.9813 5.9813 6.1981 6.1981 7.4250 7.4250 8.3515 8.3515 10.0403 10.0403 11.2319 11.2319 12.2433 12.2433 13.4860 13.4860 k = 0.3192-0.4565-0.9048 ( 3242 PWs) bands (ev): -15.8894 -15.8894 -15.8873 -15.8873 -12.9125 -12.9125 -12.9069 -12.9069 -12.8988 -12.8988 -3.5110 -3.5110 -3.4461 -3.4461 -1.8121 -1.8121 3.5685 3.5685 3.9216 3.9216 4.2884 4.2884 4.8516 4.8516 4.9599 4.9599 5.2549 5.2549 5.5986 5.5986 6.0082 6.0082 6.2305 6.2305 7.3439 7.3439 8.3008 8.3008 10.0439 10.0439 11.2184 11.2184 12.2727 12.2727 13.5300 13.5300 k = 0.3256-0.4656-0.9229 ( 3242 PWs) bands (ev): -15.8893 -15.8893 -15.8874 -15.8874 -12.9123 -12.9123 -12.9070 -12.9070 -12.8989 -12.8989 -3.4925 -3.4925 -3.4555 -3.4555 -1.8216 -1.8216 3.5576 3.5576 3.9119 3.9119 4.2598 4.2598 4.8592 4.8592 4.9729 4.9729 5.3040 5.3040 5.5976 5.5976 6.0368 6.0368 6.2708 6.2708 7.2623 7.2623 8.2479 8.2479 10.0461 10.0461 11.2034 11.2034 12.2985 12.2985 13.5715 13.5715 k = 0.3320-0.4747-0.9410 ( 3242 PWs) bands (ev): -15.8893 -15.8893 -15.8874 -15.8874 -12.9122 -12.9122 -12.9071 -12.9071 -12.8989 -12.8989 -3.4809 -3.4809 -3.4621 -3.4621 -1.8277 -1.8277 3.5488 3.5488 3.9034 3.9034 4.2346 4.2346 4.8641 4.8641 4.9846 4.9846 5.3512 5.3512 5.5982 5.5982 6.0682 6.0682 6.3184 6.3184 7.1806 7.1806 8.1931 8.1931 10.0471 10.0471 11.1869 11.1869 12.3197 12.3197 13.6097 13.6097 k = 0.3383-0.4838-0.9591 ( 3242 PWs) bands (ev): -15.8893 -15.8893 -15.8874 -15.8874 -12.9123 -12.9123 -12.9071 -12.9071 -12.8989 -12.8989 -3.4835 -3.4835 -3.4585 -3.4585 -1.8307 -1.8307 3.5422 3.5422 3.8961 3.8961 4.2133 4.2133 4.8671 4.8671 4.9943 4.9943 5.3950 5.3950 5.6006 5.6006 6.1039 6.1039 6.3720 6.3720 7.0994 7.0994 8.1365 8.1365 10.0470 10.0470 11.1692 11.1692 12.3353 12.3353 13.6438 13.6438 k = 0.3447-0.4930-0.9772 ( 3242 PWs) bands (ev): -15.8894 -15.8894 -15.8873 -15.8873 -12.9124 -12.9124 -12.9070 -12.9070 -12.8988 -12.8988 -3.4931 -3.4931 -3.4518 -3.4518 -1.8307 -1.8307 3.5375 3.5375 3.8903 3.8903 4.1961 4.1961 4.8687 4.8687 5.0018 5.0018 5.4338 5.4338 5.6053 5.6053 6.1449 6.1449 6.4298 6.4298 7.0197 7.0197 8.0786 8.0786 10.0457 10.0457 11.1503 11.1503 12.3444 12.3444 13.6730 13.6730 k = 0.6553-0.3355-0.8803 ( 3242 PWs) bands (ev): -15.8894 -15.8894 -15.8873 -15.8873 -12.9124 -12.9124 -12.9070 -12.9070 -12.8988 -12.8988 -3.4931 -3.4931 -3.4518 -3.4518 -1.8307 -1.8307 3.5375 3.5375 3.8903 3.8903 4.1961 4.1961 4.8687 4.8687 5.0018 5.0018 5.4338 5.4338 5.6053 5.6053 6.1449 6.1449 6.4298 6.4298 7.0197 7.0197 8.0786 8.0786 10.0457 10.0457 11.1503 11.1503 12.3444 12.3444 13.6730 13.6730 k = 0.6488-0.3149-0.8803 ( 3246 PWs) bands (ev): -15.8894 -15.8894 -15.8873 -15.8873 -12.9127 -12.9127 -12.9069 -12.9069 -12.8987 -12.8987 -3.5042 -3.5042 -3.4472 -3.4472 -1.8279 -1.8279 3.5343 3.5343 3.8862 3.8862 4.1833 4.1833 4.8692 4.8692 5.0070 5.0070 5.4667 5.4667 5.6129 5.6129 6.1928 6.1928 6.4904 6.4904 6.9419 6.9419 8.0191 8.0191 10.0434 10.0434 11.1302 11.1302 12.3462 12.3462 13.6968 13.6968 k = 0.6423-0.2944-0.8803 ( 3244 PWs) bands (ev): -15.8895 -15.8895 -15.8872 -15.8872 -12.9131 -12.9131 -12.9067 -12.9067 -12.8985 -12.8985 -3.5158 -3.5158 -3.4453 -3.4453 -1.8226 -1.8226 3.5320 3.5320 3.8846 3.8846 4.1751 4.1751 4.8689 4.8689 5.0099 5.0099 5.4922 5.4922 5.6234 5.6234 6.2473 6.2473 6.5486 6.5486 6.8706 6.8706 7.9594 7.9594 10.0398 10.0398 11.1092 11.1092 12.3400 12.3400 13.7144 13.7144 k = 0.6359-0.2739-0.8803 ( 3248 PWs) bands (ev): -15.8896 -15.8896 -15.8872 -15.8872 -12.9135 -12.9135 -12.9065 -12.9065 -12.8983 -12.8983 -3.5276 -3.5276 -3.4462 -3.4462 -1.8152 -1.8152 3.5299 3.5299 3.8864 3.8864 4.1716 4.1716 4.8681 4.8681 5.0107 5.0107 5.5107 5.5107 5.6362 5.6362 6.3072 6.3072 6.5943 6.5943 6.8155 6.8155 7.9004 7.9004 10.0351 10.0351 11.0875 11.0875 12.3255 12.3255 13.7251 13.7251 k = 0.6294-0.2533-0.8803 ( 3242 PWs) bands (ev): -15.8897 -15.8897 -15.8871 -15.8871 -12.9140 -12.9140 -12.9064 -12.9064 -12.8980 -12.8980 -3.5394 -3.5394 -3.4495 -3.4495 -1.8061 -1.8061 3.5271 3.5271 3.8927 3.8927 4.1725 4.1725 4.8668 4.8668 5.0097 5.0097 5.5235 5.5235 5.6504 5.6504 6.3684 6.3684 6.6074 6.6074 6.7988 6.7988 7.8437 7.8437 10.0290 10.0290 11.0653 11.0653 12.3028 12.3028 13.7289 13.7289 k = 0.6229-0.2328-0.8803 ( 3240 PWs) bands (ev): -15.8899 -15.8899 -15.8870 -15.8870 -12.9145 -12.9145 -12.9063 -12.9063 -12.8976 -12.8976 -3.5512 -3.5512 -3.4549 -3.4549 -1.7955 -1.7955 3.5229 3.5229 3.9042 3.9042 4.1777 4.1777 4.8651 4.8651 5.0073 5.0073 5.5321 5.5321 5.6643 5.6643 6.4157 6.4157 6.5953 6.5953 6.8251 6.8251 7.7913 7.7913 10.0215 10.0215 11.0428 11.0428 12.2720 12.2720 13.7256 13.7256 k = 0.6165-0.2122-0.8803 ( 3242 PWs) bands (ev): -15.8900 -15.8900 -15.8869 -15.8869 -12.9151 -12.9151 -12.9062 -12.9062 -12.8972 -12.8972 -3.5628 -3.5628 -3.4620 -3.4620 -1.7840 -1.7840 3.5169 3.5169 3.9217 3.9217 4.1868 4.1868 4.8633 4.8633 5.0037 5.0037 5.5380 5.5380 5.6773 5.6773 6.4130 6.4130 6.6183 6.6183 6.8658 6.8658 7.7463 7.7463 10.0122 10.0122 11.0200 11.0200 12.2341 12.2341 13.7156 13.7156 k = 0.6100-0.1917-0.8803 ( 3238 PWs) bands (ev): -15.8901 -15.8901 -15.8868 -15.8868 -12.9157 -12.9157 -12.9061 -12.9061 -12.8968 -12.8968 -3.5742 -3.5742 -3.4705 -3.4705 -1.7718 -1.7718 3.5089 3.5089 3.9453 3.9453 4.1996 4.1996 4.8613 4.8613 4.9993 4.9993 5.5421 5.5421 5.6887 5.6887 6.3642 6.3642 6.6863 6.6863 6.9021 6.9021 7.7126 7.7126 10.0009 10.0009 10.9971 10.9971 12.1898 12.1898 13.6994 13.6994 k = 0.6035-0.1712-0.8803 ( 3238 PWs) bands (ev): -15.8903 -15.8903 -15.8867 -15.8867 -12.9162 -12.9162 -12.9060 -12.9060 -12.8963 -12.8963 -3.5854 -3.5854 -3.4800 -3.4800 -1.7593 -1.7593 3.4990 3.4990 3.9751 3.9751 4.2158 4.2158 4.8593 4.8593 4.9944 4.9944 5.5450 5.5450 5.6985 5.6985 6.2998 6.2998 6.7720 6.7720 6.9254 6.9254 7.6946 7.6946 9.9872 9.9872 10.9742 10.9742 12.1406 12.1406 13.6777 13.6777 k = 0.5970-0.1506-0.8803 ( 3240 PWs) bands (ev): -15.8904 -15.8904 -15.8866 -15.8866 -12.9168 -12.9168 -12.9060 -12.9060 -12.8958 -12.8958 -3.5962 -3.5962 -3.4903 -3.4903 -1.7466 -1.7466 3.4875 3.4875 4.0103 4.0103 4.2354 4.2354 4.8574 4.8574 4.9893 4.9893 5.5470 5.5470 5.7064 5.7064 6.2314 6.2314 6.8586 6.8586 6.9368 6.9368 7.6955 7.6955 9.9706 9.9706 10.9515 10.9515 12.0879 12.0879 13.6513 13.6513 k = 0.5906-0.1301-0.8803 ( 3242 PWs) bands (ev): -15.8906 -15.8906 -15.8865 -15.8865 -12.9174 -12.9174 -12.9060 -12.9060 -12.8953 -12.8953 -3.6066 -3.6066 -3.5011 -3.5011 -1.7341 -1.7341 3.4750 3.4750 4.0502 4.0502 4.2582 4.2582 4.8555 4.8555 4.9844 4.9844 5.5483 5.5483 5.7125 5.7125 6.1625 6.1625 6.8875 6.8875 6.9902 6.9902 7.7154 7.7154 9.9507 9.9507 10.9290 10.9290 12.0335 12.0335 13.6212 13.6212 k = 0.5841-0.1095-0.8803 ( 3238 PWs) bands (ev): -15.8907 -15.8907 -15.8864 -15.8864 -12.9180 -12.9180 -12.9060 -12.9060 -12.8948 -12.8948 -3.6166 -3.6166 -3.5121 -3.5121 -1.7219 -1.7219 3.4618 3.4618 4.0936 4.0936 4.2844 4.2844 4.8539 4.8539 4.9800 4.9800 5.5489 5.5489 5.7165 5.7165 6.0951 6.0951 6.8556 6.8556 7.0894 7.0894 7.7512 7.7512 9.9267 9.9267 10.9068 10.9068 11.9792 11.9792 13.5885 13.5885 k = 0.5776-0.0890-0.8803 ( 3242 PWs) bands (ev): -15.8909 -15.8909 -15.8864 -15.8864 -12.9185 -12.9185 -12.9060 -12.9060 -12.8943 -12.8943 -3.6260 -3.6260 -3.5230 -3.5230 -1.7103 -1.7103 3.4484 3.4484 4.1391 4.1391 4.3142 4.3142 4.8525 4.8525 4.9764 4.9764 5.5490 5.5490 5.7182 5.7182 6.0303 6.0303 6.8039 6.8039 7.1967 7.1967 7.7983 7.7983 9.8980 9.8980 10.8850 10.8850 11.9267 11.9267 13.5541 13.5541 k = 0.5712-0.0685-0.8803 ( 3244 PWs) bands (ev): -15.8910 -15.8910 -15.8863 -15.8863 -12.9190 -12.9190 -12.9060 -12.9060 -12.8938 -12.8938 -3.6349 -3.6349 -3.5338 -3.5338 -1.6993 -1.6993 3.4351 3.4351 4.1850 4.1850 4.3481 4.3481 4.8516 4.8516 4.9740 4.9740 5.5485 5.5485 5.7172 5.7172 5.9692 5.9692 6.7409 6.7409 7.3071 7.3071 7.8521 7.8521 9.8641 9.8641 10.8638 10.8638 11.8778 11.8778 13.5190 13.5190 k = 0.5647-0.0479-0.8803 ( 3238 PWs) bands (ev): -15.8911 -15.8911 -15.8862 -15.8862 -12.9195 -12.9195 -12.9060 -12.9060 -12.8934 -12.8934 -3.6432 -3.6432 -3.5441 -3.5441 -1.6890 -1.6890 3.4222 3.4222 4.2296 4.2296 4.3863 4.3863 4.8511 4.8511 4.9733 4.9733 5.5472 5.5472 5.7124 5.7124 5.9133 5.9133 6.6707 6.6707 7.4191 7.4191 7.9088 7.9088 9.8245 9.8245 10.8433 10.8433 11.8340 11.8340 13.4840 13.4840 k = 0.5582-0.0274-0.8803 ( 3238 PWs) bands (ev): -15.8912 -15.8912 -15.8861 -15.8861 -12.9200 -12.9200 -12.9061 -12.9061 -12.8930 -12.8930 -3.6508 -3.6508 -3.5539 -3.5539 -1.6796 -1.6796 3.4100 3.4100 4.2712 4.2712 4.4287 4.4287 4.8512 4.8512 4.9750 4.9750 5.5448 5.5448 5.7027 5.7027 5.8644 5.8644 6.5965 6.5965 7.5317 7.5317 7.9656 7.9656 9.7788 9.7788 10.8238 10.8238 11.7964 11.7964 13.4499 13.4499 k = 0.5518-0.0068-0.8803 ( 3236 PWs) bands (ev): -15.8913 -15.8913 -15.8861 -15.8861 -12.9204 -12.9204 -12.9061 -12.9061 -12.8926 -12.8926 -3.6577 -3.6577 -3.5630 -3.5630 -1.6711 -1.6711 3.3986 3.3986 4.3091 4.3091 4.4741 4.4741 4.8520 4.8520 4.9799 4.9799 5.5410 5.5410 5.6869 5.6869 5.8242 5.8242 6.5209 6.5209 7.6439 7.6439 8.0204 8.0204 9.7271 9.7271 10.8056 10.8056 11.7657 11.7657 13.4174 13.4174 k = 0.5453 0.0137-0.8803 ( 3244 PWs) bands (ev): -15.8914 -15.8914 -15.8860 -15.8860 -12.9207 -12.9207 -12.9061 -12.9061 -12.8922 -12.8922 -3.6639 -3.6639 -3.5713 -3.5713 -1.6635 -1.6635 3.3883 3.3883 4.3429 4.3429 4.5203 4.5203 4.8535 4.8535 4.9888 4.9888 5.5349 5.5349 5.6658 5.6658 5.7930 5.7930 6.4463 6.4463 7.7542 7.7542 8.0716 8.0716 9.6700 9.6700 10.7888 10.7888 11.7422 11.7422 13.3869 13.3869 k = 0.5388 0.0342-0.8803 ( 3244 PWs) bands (ev): -15.8915 -15.8915 -15.8860 -15.8860 -12.9211 -12.9211 -12.9061 -12.9061 -12.8919 -12.8919 -3.6694 -3.6694 -3.5787 -3.5787 -1.6569 -1.6569 3.3792 3.3792 4.3728 4.3728 4.5643 4.5643 4.8556 4.8556 5.0027 5.0027 5.5259 5.5259 5.6431 5.6431 5.7680 5.7680 6.3752 6.3752 7.8613 7.8613 8.1181 8.1181 9.6086 9.6086 10.7738 10.7738 11.7254 11.7254 13.3591 13.3591 k = 0.5323 0.0548-0.8803 ( 3242 PWs) bands (ev): -15.8916 -15.8916 -15.8859 -15.8859 -12.9214 -12.9214 -12.9062 -12.9062 -12.8916 -12.8916 -3.6740 -3.6740 -3.5851 -3.5851 -1.6513 -1.6513 3.3712 3.3712 4.3988 4.3988 4.6034 4.6034 4.8583 4.8583 5.0220 5.0220 5.5138 5.5138 5.6231 5.6231 5.7455 5.7455 6.3099 6.3099 7.9629 7.9629 8.1590 8.1590 9.5449 9.5449 10.7608 10.7608 11.7146 11.7146 13.3344 13.3344 k = 0.5259 0.0753-0.8803 ( 3238 PWs) bands (ev): -15.8917 -15.8917 -15.8859 -15.8859 -12.9216 -12.9216 -12.9062 -12.9062 -12.8914 -12.8914 -3.6778 -3.6778 -3.5904 -3.5904 -1.6467 -1.6467 3.3647 3.3647 4.4209 4.4209 4.6354 4.6354 4.8614 4.8614 5.0461 5.0461 5.5001 5.5001 5.6080 5.6080 5.7229 5.7229 6.2531 6.2531 8.0561 8.0561 8.1938 8.1938 9.4817 9.4817 10.7500 10.7500 11.7086 11.7086 13.3131 13.3131 k = 0.5194 0.0959-0.8803 ( 3236 PWs) bands (ev): -15.8917 -15.8917 -15.8859 -15.8859 -12.9218 -12.9218 -12.9062 -12.9062 -12.8912 -12.8912 -3.6808 -3.6808 -3.5946 -3.5946 -1.6431 -1.6431 3.3595 3.3595 4.4386 4.4386 4.6595 4.6595 4.8644 4.8644 5.0725 5.0725 5.4880 5.4880 5.5968 5.5968 5.6997 5.6997 6.2072 6.2072 8.1365 8.1365 8.2225 8.2225 9.4232 9.4232 10.7416 10.7416 11.7059 11.7059 13.2958 13.2958 k = 0.5129 0.1164-0.8803 ( 3240 PWs) bands (ev): -15.8917 -15.8917 -15.8858 -15.8858 -12.9219 -12.9219 -12.9062 -12.9062 -12.8911 -12.8911 -3.6830 -3.6830 -3.5976 -3.5976 -1.6406 -1.6406 3.3558 3.3558 4.4516 4.4516 4.6758 4.6758 4.8669 4.8669 5.0969 5.0969 5.4803 5.4803 5.5880 5.5880 5.6781 5.6781 6.1736 6.1736 8.1972 8.1972 8.2467 8.2467 9.3744 9.3744 10.7355 10.7355 11.7053 11.7053 13.2830 13.2830 k = 0.5065 0.1369-0.8803 ( 3244 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6843 -3.6843 -3.5994 -3.5994 -1.6390 -1.6390 3.3535 3.3535 4.4596 4.4596 4.6851 4.6851 4.8686 4.8686 5.1143 5.1143 5.4775 5.4775 5.5809 5.5809 5.6626 5.6626 6.1534 6.1534 8.2299 8.2299 8.2685 8.2685 9.3415 9.3415 10.7318 10.7318 11.7055 11.7055 13.2750 13.2750 k = 0.5000 0.1575-0.8803 ( 3248 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6847 -3.6847 -3.6000 -3.6000 -1.6385 -1.6385 3.3528 3.3528 4.4622 4.4622 4.6881 4.6881 4.8692 4.8692 5.1206 5.1206 5.4773 5.4773 5.5778 5.5778 5.6569 5.6569 6.1467 6.1467 8.2385 8.2385 8.2787 8.2787 9.3299 9.3299 10.7306 10.7306 11.7057 11.7057 13.2723 13.2723 k = 0.5000 0.1575-0.8803 ( 3248 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6847 -3.6847 -3.6000 -3.6000 -1.6385 -1.6385 3.3528 3.3528 4.4622 4.4622 4.6881 4.6881 4.8692 4.8692 5.1206 5.1206 5.4773 5.4773 5.5778 5.5778 5.6569 5.6569 6.1467 6.1467 8.2385 8.2385 8.2787 8.2787 9.3299 9.3299 10.7306 10.7306 11.7057 11.7057 13.2723 13.2723 k = 0.5173 0.1629-0.8695 ( 3250 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6847 -3.6847 -3.6005 -3.6005 -1.6380 -1.6380 3.3520 3.3520 4.4614 4.4614 4.6858 4.6858 4.8680 4.8680 5.1267 5.1267 5.4757 5.4757 5.5800 5.5800 5.6602 5.6602 6.1472 6.1472 8.2273 8.2273 8.2735 8.2735 9.3398 9.3398 10.7340 10.7340 11.7010 11.7010 13.2760 13.2760 k = 0.5345 0.1683-0.8587 ( 3246 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6848 -3.6848 -3.6019 -3.6019 -1.6366 -1.6366 3.3497 3.3497 4.4588 4.4588 4.6784 4.6784 4.8664 4.8664 5.1438 5.1438 5.4716 5.4716 5.5855 5.5855 5.6706 5.6706 6.1488 6.1488 8.1928 8.1928 8.2603 8.2603 9.3681 9.3681 10.7442 10.7442 11.6878 11.6878 13.2864 13.2864 k = 0.5518 0.1738-0.8480 ( 3246 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6851 -3.6851 -3.6039 -3.6039 -1.6343 -1.6343 3.3459 3.3459 4.4544 4.4544 4.6646 4.6646 4.8686 4.8686 5.1687 5.1687 5.4665 5.4665 5.5923 5.5923 5.6884 5.6884 6.1516 6.1516 8.1367 8.1367 8.2416 8.2416 9.4105 9.4105 10.7607 10.7607 11.6674 11.6674 13.3023 13.3023 k = 0.5690 0.1792-0.8372 ( 3241 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6859 -3.6859 -3.6064 -3.6064 -1.6310 -1.6310 3.3410 3.3410 4.4481 4.4481 4.6442 4.6442 4.8777 4.8777 5.1985 5.1985 5.4613 5.4613 5.5991 5.5991 5.7135 5.7135 6.1558 6.1558 8.0640 8.0640 8.2173 8.2173 9.4620 9.4620 10.7831 10.7831 11.6424 11.6424 13.3221 13.3221 k = 0.5863 0.1847-0.8264 ( 3236 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6876 -3.6876 -3.6090 -3.6090 -1.6269 -1.6269 3.3352 3.3352 4.4399 4.4399 4.6184 4.6184 4.8945 4.8945 5.2310 5.2310 5.4569 5.4569 5.6058 5.6058 5.7447 5.7447 6.1616 6.1616 7.9794 7.9794 8.1875 8.1875 9.5179 9.5179 10.8105 10.8105 11.6154 11.6154 13.3441 13.3441 k = 0.6035 0.1901-0.8156 ( 3234 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8911 -12.8911 -3.6906 -3.6906 -3.6110 -3.6110 -1.6218 -1.6218 3.3287 3.3287 4.4296 4.4296 4.5892 4.5892 4.9183 4.9183 5.2647 5.2647 5.4534 5.4534 5.6128 5.6128 5.7806 5.7806 6.1697 6.1697 7.8865 7.8865 8.1526 8.1526 9.5742 9.5742 10.8419 10.8419 11.5898 11.5898 13.3671 13.3671 k = 0.6208 0.1955-0.8049 ( 3236 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9219 -12.9219 -12.9062 -12.9062 -12.8911 -12.8911 -3.6955 -3.6955 -3.6121 -3.6121 -1.6159 -1.6159 3.3220 3.3220 4.4170 4.4170 4.5587 4.5587 4.9476 4.9476 5.2985 5.2985 5.4511 5.4511 5.6206 5.6206 5.8197 5.8197 6.1805 6.1805 7.7880 7.7880 8.1130 8.1130 9.6274 9.6274 10.8764 10.8764 11.5685 11.5685 13.3901 13.3901 k = 0.6380 0.2010-0.7941 ( 3238 PWs) bands (ev): -15.8918 -15.8918 -15.8859 -15.8859 -12.9219 -12.9219 -12.9062 -12.9062 -12.8912 -12.8912 -3.7027 -3.7027 -3.6117 -3.6117 -1.6091 -1.6091 3.3152 3.3152 4.4020 4.4020 4.5285 4.5285 4.9813 4.9813 5.3315 5.3315 5.4503 5.4503 5.6297 5.6297 5.8604 5.8604 6.1949 6.1949 7.6862 7.6862 8.0693 8.0693 9.6748 9.6748 10.9129 10.9129 11.5545 11.5545 13.4126 13.4126 k = 0.6553 0.2064-0.7833 ( 3240 PWs) bands (ev): -15.8918 -15.8918 -15.8859 -15.8859 -12.9219 -12.9219 -12.9062 -12.9062 -12.8912 -12.8912 -3.7121 -3.7121 -3.6098 -3.6098 -1.6015 -1.6015 3.3087 3.3087 4.3841 4.3841 4.5000 4.5000 5.0179 5.0179 5.3630 5.3630 5.4511 5.4511 5.6408 5.6408 5.9009 5.9009 6.2137 6.2137 7.5829 7.5829 8.0221 8.0221 9.7143 9.7143 10.9505 10.9505 11.5503 11.5503 13.4343 13.4343 k = 0.6553 0.2064-0.7833 ( 3240 PWs) bands (ev): -15.8918 -15.8918 -15.8859 -15.8859 -12.9219 -12.9219 -12.9062 -12.9062 -12.8912 -12.8912 -3.7121 -3.7121 -3.6098 -3.6098 -1.6015 -1.6015 3.3087 3.3087 4.3841 4.3841 4.5000 4.5000 5.0179 5.0179 5.3630 5.3630 5.4511 5.4511 5.6408 5.6408 5.9009 5.9009 6.2137 6.2137 7.5829 7.5829 8.0221 8.0221 9.7143 9.7143 10.9505 10.9505 11.5503 11.5503 13.4343 13.4343 k = 0.6516 0.2052-0.7624 ( 3245 PWs) bands (ev): -15.8918 -15.8918 -15.8859 -15.8859 -12.9218 -12.9218 -12.9062 -12.9062 -12.8914 -12.8914 -3.7449 -3.7449 -3.5984 -3.5984 -1.5882 -1.5882 3.3091 3.3091 4.4004 4.4004 4.5269 4.5269 5.0476 5.0476 5.3390 5.3390 5.4500 5.4500 5.6549 5.6549 5.9051 5.9051 6.2093 6.2093 7.5276 7.5276 8.0399 8.0399 9.7217 9.7217 10.9633 10.9633 11.5464 11.5464 13.4456 13.4456 k = 0.6479 0.2041-0.7414 ( 3245 PWs) bands (ev): -15.8919 -15.8919 -15.8859 -15.8859 -12.9217 -12.9217 -12.9062 -12.9062 -12.8916 -12.8916 -3.7804 -3.7804 -3.5902 -3.5902 -1.5698 -1.5698 3.3135 3.3135 4.4137 4.4137 4.5566 4.5566 5.0727 5.0727 5.3171 5.3171 5.4503 5.4503 5.6699 5.6699 5.9088 5.9088 6.2141 6.2141 7.4709 7.4709 8.0577 8.0577 9.7295 9.7295 10.9769 10.9769 11.5453 11.5453 13.4581 13.4581 k = 0.6442 0.2029-0.7205 ( 3241 PWs) bands (ev): -15.8919 -15.8919 -15.8860 -15.8860 -12.9215 -12.9215 -12.9062 -12.9062 -12.8919 -12.8919 -3.8181 -3.8181 -3.5857 -3.5857 -1.5464 -1.5464 3.3223 3.3223 4.4248 4.4248 4.5879 4.5879 5.0907 5.0907 5.2986 5.2986 5.4524 5.4524 5.6850 5.6850 5.9127 5.9127 6.2287 6.2287 7.4137 7.4137 8.0752 8.0752 9.7378 9.7378 10.9911 10.9911 11.5469 11.5469 13.4716 13.4716 k = 0.6405 0.2017-0.6995 ( 3241 PWs) bands (ev): -15.8919 -15.8919 -15.8860 -15.8860 -12.9214 -12.9214 -12.9062 -12.9062 -12.8922 -12.8922 -3.8576 -3.8576 -3.5846 -3.5846 -1.5185 -1.5185 3.3356 3.3356 4.4344 4.4344 4.6197 4.6197 5.0998 5.0998 5.2843 5.2843 5.4571 5.4571 5.6993 5.6993 5.9177 5.9177 6.2529 6.2529 7.3569 7.3569 8.0924 8.0924 9.7463 9.7463 11.0056 11.0056 11.5510 11.5510 13.4861 13.4861 k = 0.6368 0.2006-0.6785 ( 3241 PWs) bands (ev): -15.8920 -15.8920 -15.8861 -15.8861 -12.9212 -12.9212 -12.9062 -12.9062 -12.8926 -12.8926 -3.8987 -3.8987 -3.5870 -3.5870 -1.4864 -1.4864 3.3535 3.3535 4.4427 4.4427 4.6513 4.6513 5.0994 5.0994 5.2741 5.2741 5.4645 5.4645 5.7120 5.7120 5.9248 5.9248 6.2866 6.2866 7.3017 7.3017 8.1089 8.1089 9.7551 9.7551 11.0204 11.0204 11.5574 11.5574 13.5011 13.5011 k = 0.6331 0.1994-0.6576 ( 3242 PWs) bands (ev): -15.8920 -15.8920 -15.8861 -15.8861 -12.9210 -12.9210 -12.9062 -12.9062 -12.8930 -12.8930 -3.9411 -3.9411 -3.5924 -3.5924 -1.4506 -1.4506 3.3763 3.3763 4.4498 4.4498 4.6817 4.6817 5.0909 5.0909 5.2669 5.2669 5.4747 5.4747 5.7226 5.7226 5.9349 5.9349 6.3289 6.3289 7.2490 7.2490 8.1248 8.1248 9.7641 9.7641 11.0353 11.0353 11.5659 11.5659 13.5161 13.5161 k = 0.6294 0.1982-0.6366 ( 3238 PWs) bands (ev): -15.8921 -15.8921 -15.8862 -15.8862 -12.9207 -12.9207 -12.9062 -12.9062 -12.8934 -12.8934 -3.9845 -3.9845 -3.6007 -3.6007 -1.4115 -1.4115 3.4040 3.4040 4.4560 4.4560 4.7102 4.7102 5.0770 5.0770 5.2611 5.2611 5.4871 5.4871 5.7310 5.7310 5.9484 5.9484 6.3784 6.3784 7.2003 7.2003 8.1398 8.1398 9.7730 9.7730 11.0502 11.0502 11.5763 11.5763 13.5300 13.5300 k = 0.6257 0.1971-0.6157 ( 3238 PWs) bands (ev): -15.8922 -15.8922 -15.8863 -15.8863 -12.9205 -12.9205 -12.9062 -12.9062 -12.8939 -12.8939 -4.0288 -4.0288 -3.6115 -3.6115 -1.3697 -1.3697 3.4366 3.4366 4.4611 4.4611 4.7357 4.7357 5.0602 5.0602 5.2555 5.2555 5.5012 5.5012 5.7375 5.7375 5.9649 5.9649 6.4331 6.4331 7.1576 7.1576 8.1538 8.1538 9.7817 9.7817 11.0650 11.0650 11.5884 11.5884 13.5413 13.5413 k = 0.6220 0.1959-0.5947 ( 3230 PWs) bands (ev): -15.8923 -15.8923 -15.8863 -15.8863 -12.9203 -12.9203 -12.9062 -12.9062 -12.8944 -12.8944 -4.0737 -4.0737 -3.6246 -3.6246 -1.3256 -1.3256 3.4743 3.4743 4.4652 4.4652 4.7570 4.7570 5.0430 5.0430 5.2499 5.2499 5.5162 5.5162 5.7429 5.7429 5.9843 5.9843 6.4902 6.4902 7.1235 7.1235 8.1666 8.1666 9.7900 9.7900 11.0797 11.0797 11.6020 11.6020 13.5476 13.5476 k = 0.6183 0.1947-0.5737 ( 3232 PWs) bands (ev): -15.8924 -15.8924 -15.8864 -15.8864 -12.9200 -12.9200 -12.9062 -12.9062 -12.8949 -12.8949 -4.1189 -4.1189 -3.6396 -3.6396 -1.2796 -1.2796 3.5169 3.5169 4.4681 4.4681 4.7727 4.7727 5.0270 5.0270 5.2442 5.2442 5.5315 5.5315 5.7484 5.7484 6.0059 6.0059 6.5451 6.5451 7.1018 7.1018 8.1781 8.1781 9.7975 9.7975 11.0942 11.0942 11.6170 11.6170 13.5454 13.5454 k = 0.6146 0.1936-0.5528 ( 3231 PWs) bands (ev): -15.8925 -15.8925 -15.8864 -15.8864 -12.9198 -12.9198 -12.9062 -12.9062 -12.8955 -12.8955 -4.1644 -4.1644 -3.6564 -3.6564 -1.2322 -1.2322 3.5644 3.5644 4.4699 4.4699 4.7815 4.7815 5.0140 5.0140 5.2387 5.2387 5.5464 5.5464 5.7550 5.7550 6.0294 6.0294 6.5924 6.5924 7.0978 7.0978 8.1882 8.1882 9.8041 9.8041 11.1082 11.1082 11.6332 11.6332 13.5314 13.5314 k = 0.6109 0.1924-0.5318 ( 3233 PWs) bands (ev): -15.8926 -15.8926 -15.8865 -15.8865 -12.9195 -12.9195 -12.9062 -12.9062 -12.8961 -12.8961 -4.2098 -4.2098 -3.6747 -3.6747 -1.1836 -1.1836 3.6167 3.6167 4.4704 4.4704 4.7822 4.7822 5.0048 5.0048 5.2337 5.2337 5.5602 5.5602 5.7640 5.7640 6.0545 6.0545 6.6265 6.6265 7.1165 7.1165 8.1968 8.1968 9.8094 9.8094 11.1217 11.1217 11.6502 11.6502 13.5036 13.5036 k = 0.6072 0.1912-0.5109 ( 3232 PWs) bands (ev): -15.8928 -15.8928 -15.8866 -15.8866 -12.9193 -12.9193 -12.9061 -12.9061 -12.8966 -12.8966 -4.2551 -4.2551 -3.6941 -3.6941 -1.1343 -1.1343 3.6737 3.6737 4.4697 4.4697 4.7752 4.7752 4.9991 4.9991 5.2294 5.2294 5.5724 5.5724 5.7765 5.7765 6.0810 6.0810 6.6449 6.6449 7.1596 7.1596 8.2036 8.2036 9.8132 9.8132 11.1344 11.1344 11.6680 11.6680 13.4626 13.4626 k = 0.6035 0.1901-0.4899 ( 3239 PWs) bands (ev): -15.8929 -15.8929 -15.8866 -15.8866 -12.9191 -12.9191 -12.9061 -12.9061 -12.8972 -12.8972 -4.3000 -4.3000 -3.7146 -3.7146 -1.0846 -1.0846 3.7351 3.7351 4.4678 4.4678 4.7615 4.7615 4.9954 4.9954 5.2263 5.2263 5.5825 5.5825 5.7933 5.7933 6.1089 6.1089 6.6503 6.6503 7.2241 7.2241 8.2085 8.2085 9.8152 9.8152 11.1461 11.1461 11.6859 11.6859 13.4113 13.4113 k = 0.5998 0.1889-0.4689 ( 3243 PWs) bands (ev): -15.8931 -15.8931 -15.8867 -15.8867 -12.9189 -12.9189 -12.9060 -12.9060 -12.8978 -12.8978 -4.3444 -4.3444 -3.7359 -3.7359 -1.0348 -1.0348 3.8007 3.8007 4.4646 4.4646 4.7431 4.7431 4.9918 4.9918 5.2246 5.2246 5.5904 5.5904 5.8150 5.8150 6.1379 6.1379 6.6477 6.6477 7.3045 7.3045 8.2116 8.2116 9.8151 9.8151 11.1566 11.1566 11.7035 11.7035 13.3530 13.3530 k = 0.5961 0.1878-0.4480 ( 3249 PWs) bands (ev): -15.8932 -15.8932 -15.8867 -15.8867 -12.9187 -12.9187 -12.9059 -12.9059 -12.8984 -12.8984 -4.3881 -4.3881 -3.7578 -3.7578 -0.9850 -0.9850 3.8700 3.8700 4.4604 4.4604 4.7217 4.7217 4.9864 4.9864 5.2248 5.2248 5.5964 5.5964 5.8413 5.8413 6.1681 6.1681 6.6418 6.6418 7.3954 7.3954 8.2125 8.2125 9.8127 9.8127 11.1657 11.1657 11.7201 11.7201 13.2915 13.2915 k = 0.5924 0.1866-0.4270 ( 3243 PWs) bands (ev): -15.8934 -15.8934 -15.8867 -15.8867 -12.9186 -12.9186 -12.9058 -12.9058 -12.8990 -12.8990 -4.4310 -4.4310 -3.7802 -3.7802 -0.9357 -0.9357 3.9426 3.9426 4.4551 4.4551 4.6986 4.6986 4.9781 4.9781 5.2271 5.2271 5.6010 5.6010 5.8720 5.8720 6.1994 6.1994 6.6359 6.6359 7.4931 7.4931 8.2113 8.2113 9.8078 9.8078 11.1729 11.1729 11.7345 11.7345 13.2301 13.2301 k = 0.5887 0.1854-0.4061 ( 3245 PWs) bands (ev): -15.8936 -15.8936 -15.8868 -15.8868 -12.9185 -12.9185 -12.9058 -12.9058 -12.8995 -12.8995 -4.4729 -4.4729 -3.8028 -3.8028 -0.8869 -0.8869 4.0176 4.0176 4.4488 4.4488 4.6752 4.6752 4.9666 4.9666 5.2314 5.2314 5.6049 5.6049 5.9062 5.9062 6.2314 6.2314 6.6320 6.6320 7.5946 7.5946 8.2079 8.2079 9.8001 9.8001 11.1781 11.1781 11.7455 11.7455 13.1722 13.1722 k = 0.5850 0.1843-0.3851 ( 3254 PWs) bands (ev): -15.8938 -15.8938 -15.8868 -15.8868 -12.9184 -12.9184 -12.9057 -12.9057 -12.9001 -12.9001 -4.5139 -4.5139 -3.8255 -3.8255 -0.8389 -0.8389 4.0940 4.0940 4.4417 4.4417 4.6524 4.6524 4.9519 4.9519 5.2376 5.2376 5.6087 5.6087 5.9432 5.9432 6.2641 6.2641 6.6318 6.6318 7.6980 7.6980 8.2023 8.2023 9.7894 9.7894 11.1809 11.1809 11.7517 11.7517 13.1210 13.1210 k = 0.5813 0.1831-0.3642 ( 3258 PWs) bands (ev): -15.8940 -15.8940 -15.8868 -15.8868 -12.9183 -12.9183 -12.9055 -12.9055 -12.9005 -12.9005 -4.5536 -4.5536 -3.8482 -3.8482 -0.7918 -0.7918 4.1698 4.1698 4.4340 4.4340 4.6316 4.6316 4.9348 4.9348 5.2454 5.2454 5.6130 5.6130 5.9821 5.9821 6.2971 6.2971 6.6362 6.6362 7.8013 7.8013 8.1946 8.1946 9.7757 9.7757 11.1809 11.1809 11.7520 11.7520 13.0799 13.0799 k = 0.5776 0.1819-0.3432 ( 3258 PWs) bands (ev): -15.8942 -15.8942 -15.8868 -15.8868 -12.9183 -12.9183 -12.9054 -12.9054 -12.9010 -12.9010 -4.5922 -4.5922 -3.8707 -3.8707 -0.7458 -0.7458 4.2420 4.2420 4.4261 4.4261 4.6146 4.6146 4.9168 4.9168 5.2545 5.2545 5.6184 5.6184 6.0224 6.0224 6.3301 6.3301 6.6460 6.6460 7.9026 7.9026 8.1853 8.1853 9.7588 9.7588 11.1773 11.1773 11.7454 11.7454 13.0516 13.0516 k = 0.5739 0.1808-0.3222 ( 3256 PWs) bands (ev): -15.8944 -15.8944 -15.8868 -15.8868 -12.9184 -12.9184 -12.9054 -12.9054 -12.9014 -12.9014 -4.6294 -4.6294 -3.8929 -3.8929 -0.7010 -0.7010 4.3045 4.3045 4.4193 4.4193 4.6045 4.6045 4.9000 4.9000 5.2646 5.2646 5.6253 5.6253 6.0631 6.0631 6.3629 6.3629 6.6620 6.6620 7.9987 7.9987 8.1761 8.1761 9.7386 9.7386 11.1695 11.1695 11.7322 11.7322 13.0382 13.0382 k = 0.5702 0.1796-0.3013 ( 3252 PWs) bands (ev): -15.8946 -15.8946 -15.8869 -15.8869 -12.9185 -12.9185 -12.9053 -12.9053 -12.9017 -12.9017 -4.6652 -4.6652 -3.9148 -3.9148 -0.6576 -0.6576 4.3472 4.3472 4.4163 4.4163 4.6050 4.6050 4.8880 4.8880 5.2754 5.2754 5.6343 5.6343 6.1036 6.1036 6.3955 6.3955 6.6844 6.6844 8.0789 8.0789 8.1763 8.1763 9.7152 9.7152 11.1564 11.1564 11.7137 11.7137 13.0408 13.0408 k = 0.5665 0.1784-0.2803 ( 3252 PWs) bands (ev): -15.8948 -15.8948 -15.8869 -15.8869 -12.9186 -12.9186 -12.9053 -12.9053 -12.9019 -12.9019 -4.6996 -4.6996 -3.9361 -3.9361 -0.6156 -0.6156 4.3616 4.3616 4.4189 4.4189 4.6167 4.6167 4.8869 4.8869 5.2866 5.2866 5.6459 5.6459 6.1431 6.1431 6.4279 6.4279 6.7133 6.7133 8.1071 8.1071 8.2204 8.2204 9.6885 9.6885 11.1371 11.1371 11.6925 11.6925 13.0592 13.0592 k = 0.5628 0.1773-0.2594 ( 3254 PWs) bands (ev): -15.8950 -15.8950 -15.8869 -15.8869 -12.9187 -12.9187 -12.9053 -12.9053 -12.9020 -12.9020 -4.7324 -4.7324 -3.9568 -3.9568 -0.5752 -0.5752 4.3577 4.3577 4.4190 4.4190 4.6298 4.6298 4.9044 4.9044 5.2982 5.2982 5.6610 5.6610 6.1811 6.1811 6.4608 6.4608 6.7483 6.7483 8.0964 8.0964 8.2939 8.2939 9.6588 9.6588 11.1109 11.1109 11.6719 11.6719 13.0925 13.0925 k = 0.5591 0.1761-0.2384 ( 3254 PWs) bands (ev): -15.8952 -15.8952 -15.8869 -15.8869 -12.9189 -12.9189 -12.9054 -12.9054 -12.9021 -12.9021 -4.7636 -4.7636 -3.9768 -3.9768 -0.5365 -0.5365 4.3471 4.3471 4.4130 4.4130 4.6323 4.6323 4.9436 4.9436 5.3099 5.3099 5.6805 5.6805 6.2171 6.2171 6.4948 6.4948 6.7889 6.7889 8.0758 8.0758 8.3661 8.3661 9.6259 9.6259 11.0778 11.0778 11.6549 11.6549 13.1391 13.1391 k = 0.5555 0.1749-0.2174 ( 3251 PWs) bands (ev): -15.8954 -15.8954 -15.8869 -15.8869 -12.9192 -12.9192 -12.9055 -12.9055 -12.9020 -12.9020 -4.7931 -4.7931 -3.9960 -3.9960 -0.4996 -0.4996 4.3337 4.3337 4.4032 4.4032 4.6227 4.6227 4.9986 4.9986 5.3216 5.3216 5.7055 5.7055 6.2512 6.2512 6.5305 6.5305 6.8343 6.8343 8.0509 8.0509 8.4298 8.4298 9.5900 9.5900 11.0389 11.0389 11.6437 11.6437 13.1971 13.1971 k = 0.5518 0.1738-0.1965 ( 3256 PWs) bands (ev): -15.8955 -15.8955 -15.8869 -15.8869 -12.9194 -12.9194 -12.9056 -12.9056 -12.9019 -12.9019 -4.8209 -4.8209 -4.0143 -4.0143 -0.4645 -0.4645 4.3190 4.3190 4.3919 4.3919 4.6054 4.6054 5.0600 5.0600 5.3332 5.3332 5.7372 5.7372 6.2834 6.2834 6.5682 6.5682 6.8835 6.8835 8.0229 8.0229 8.4821 8.4821 9.5512 9.5512 10.9967 10.9967 11.6395 11.6395 13.2643 13.2643 k = 0.5481 0.1726-0.1755 ( 3264 PWs) bands (ev): -15.8957 -15.8957 -15.8869 -15.8869 -12.9197 -12.9197 -12.9058 -12.9058 -12.9018 -12.9018 -4.8470 -4.8470 -4.0317 -4.0317 -0.4314 -0.4314 4.3035 4.3035 4.3801 4.3801 4.5841 4.5841 5.1206 5.1206 5.3448 5.3448 5.7767 5.7767 6.3147 6.3147 6.6081 6.6081 6.9356 6.9356 7.9925 7.9925 8.5213 8.5213 9.5094 9.5094 10.9539 10.9539 11.6422 11.6422 13.3384 13.3384 k = 0.5444 0.1715-0.1546 ( 3254 PWs) bands (ev): -15.8959 -15.8959 -15.8868 -15.8868 -12.9199 -12.9199 -12.9060 -12.9060 -12.9016 -12.9016 -4.8713 -4.8713 -4.0480 -4.0480 -0.4003 -0.4003 4.2879 4.2879 4.3684 4.3684 4.5615 4.5615 5.1755 5.1755 5.3562 5.3562 5.8242 5.8242 6.3462 6.3462 6.6499 6.6499 6.9899 6.9899 7.9600 7.9600 8.5461 8.5461 9.4645 9.4645 10.9137 10.9137 11.6515 11.6515 13.4158 13.4158 k = 0.5407 0.1703-0.1336 ( 3255 PWs) bands (ev): -15.8961 -15.8961 -15.8868 -15.8868 -12.9202 -12.9202 -12.9061 -12.9061 -12.9014 -12.9014 -4.8938 -4.8938 -4.0633 -4.0633 -0.3714 -0.3714 4.2725 4.2725 4.3569 4.3569 4.5390 4.5390 5.2223 5.2223 5.3674 5.3674 5.8787 5.8787 6.3797 6.3797 6.6932 6.6932 7.0455 7.0455 7.9257 7.9257 8.5556 8.5556 9.4166 9.4166 10.8786 10.8786 11.6665 11.6665 13.4896 13.4896 k = 0.5370 0.1691-0.1126 ( 3258 PWs) bands (ev): -15.8962 -15.8962 -15.8868 -15.8868 -12.9205 -12.9205 -12.9062 -12.9062 -12.9012 -12.9012 -4.9144 -4.9144 -4.0774 -4.0774 -0.3447 -0.3447 4.2576 4.2576 4.3458 4.3458 4.5175 4.5175 5.2601 5.2601 5.3785 5.3785 5.9375 5.9375 6.4175 6.4175 6.7374 6.7374 7.1013 7.1013 7.8901 7.8901 8.5500 8.5500 9.3657 9.3657 10.8503 10.8503 11.6864 11.6864 13.5450 13.5450 k = 0.5333 0.1680-0.0917 ( 3254 PWs) bands (ev): -15.8964 -15.8964 -15.8868 -15.8868 -12.9208 -12.9208 -12.9064 -12.9064 -12.9010 -12.9010 -4.9331 -4.9331 -4.0903 -4.0903 -0.3202 -0.3202 4.2434 4.2434 4.3351 4.3351 4.4975 4.4975 5.2897 5.2897 5.3891 5.3891 5.9966 5.9966 6.4622 6.4622 6.7821 6.7821 7.1563 7.1563 7.8540 7.8540 8.5297 8.5297 9.3126 9.3126 10.8296 10.8296 11.7104 11.7104 13.5623 13.5623 k = 0.5296 0.1668-0.0707 ( 3256 PWs) bands (ev): -15.8965 -15.8965 -15.8868 -15.8868 -12.9210 -12.9210 -12.9065 -12.9065 -12.9008 -12.9008 -4.9500 -4.9500 -4.1020 -4.1020 -0.2981 -0.2981 4.2302 4.2302 4.3249 4.3249 4.4796 4.4796 5.3123 5.3123 5.3992 5.3992 6.0514 6.0514 6.5164 6.5164 6.8265 6.8265 7.2091 7.2091 7.8182 7.8182 8.4959 8.4959 9.2581 9.2581 10.8161 10.8161 11.7375 11.7375 13.5444 13.5444 k = 0.5259 0.1656-0.0498 ( 3256 PWs) bands (ev): -15.8966 -15.8966 -15.8868 -15.8868 -12.9213 -12.9213 -12.9066 -12.9066 -12.9007 -12.9007 -4.9649 -4.9649 -4.1124 -4.1124 -0.2785 -0.2785 4.2181 4.2181 4.3153 4.3153 4.4639 4.4639 5.3294 5.3294 5.4084 5.4084 6.0986 6.0986 6.5812 6.5812 6.8700 6.8700 7.2576 7.2576 7.7843 7.7843 8.4502 8.4502 9.2037 9.2037 10.8091 10.8091 11.7666 11.7666 13.5103 13.5103 k = 0.5222 0.1645-0.0288 ( 3254 PWs) bands (ev): -15.8967 -15.8967 -15.8868 -15.8868 -12.9215 -12.9215 -12.9067 -12.9067 -12.9005 -12.9005 -4.9778 -4.9778 -4.1215 -4.1215 -0.2613 -0.2613 4.2072 4.2072 4.3064 4.3064 4.4504 4.4504 5.3423 5.3423 5.4165 5.4165 6.1364 6.1364 6.6561 6.6561 6.9116 6.9116 7.2988 7.2988 7.7550 7.7550 8.3947 8.3947 9.1512 9.1512 10.8069 10.8069 11.7965 11.7965 13.4715 13.4715 k = 0.5185 0.1633-0.0079 ( 3256 PWs) bands (ev): -15.8968 -15.8968 -15.8868 -15.8868 -12.9217 -12.9217 -12.9068 -12.9068 -12.9004 -12.9004 -4.9888 -4.9888 -4.1293 -4.1293 -0.2466 -0.2466 4.1978 4.1978 4.2984 4.2984 4.4392 4.4392 5.3520 5.3520 5.4234 5.4234 6.1653 6.1653 6.7383 6.7383 6.9504 6.9504 7.3281 7.3281 7.7343 7.7343 8.3320 8.3320 9.1025 9.1025 10.8082 10.8082 11.8258 11.8258 13.4333 13.4333 k = 0.5148 0.1621 0.0131 ( 3253 PWs) bands (ev): -15.8969 -15.8969 -15.8868 -15.8868 -12.9218 -12.9218 -12.9068 -12.9068 -12.9003 -12.9003 -4.9978 -4.9978 -4.1357 -4.1357 -0.2346 -0.2346 4.1900 4.1900 4.2916 4.2916 4.4303 4.4303 5.3593 5.3593 5.4290 5.4290 6.1865 6.1865 6.8240 6.8240 6.9854 6.9854 7.3404 7.3404 7.7269 7.7269 8.2653 8.2653 9.0596 9.0596 10.8113 10.8113 11.8529 11.8529 13.3987 13.3987 k = 0.5111 0.1610 0.0341 ( 3247 PWs) bands (ev): -15.8969 -15.8969 -15.8868 -15.8868 -12.9219 -12.9219 -12.9069 -12.9069 -12.9002 -12.9002 -5.0048 -5.0048 -4.1406 -4.1406 -0.2252 -0.2252 4.1837 4.1837 4.2861 4.2861 4.4234 4.4234 5.3646 5.3646 5.4333 5.4333 6.2016 6.2016 6.9086 6.9086 7.0155 7.0155 7.3323 7.3323 7.7350 7.7350 8.1986 8.1986 9.0240 9.0240 10.8151 10.8151 11.8763 11.8763 13.3696 13.3696 k = 0.5074 0.1598 0.0550 ( 3242 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9220 -12.9220 -12.9069 -12.9069 -12.9001 -12.9001 -5.0098 -5.0098 -4.1442 -4.1442 -0.2184 -0.2184 4.1792 4.1792 4.2821 4.2821 4.4186 4.4186 5.3682 5.3682 5.4364 5.4364 6.2115 6.2115 6.9850 6.9850 7.0416 7.0416 7.3065 7.3065 7.7551 7.7551 8.1378 8.1378 8.9974 8.9974 10.8185 10.8185 11.8943 11.8943 13.3475 13.3475 k = 0.5037 0.1586 0.0760 ( 3249 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9069 -12.9069 -12.9001 -12.9001 -5.0128 -5.0128 -4.1464 -4.1464 -0.2143 -0.2143 4.1764 4.1764 4.2796 4.2796 4.4158 4.4158 5.3702 5.3702 5.4382 5.4382 6.2172 6.2172 7.0330 7.0330 7.0738 7.0738 7.2721 7.2721 7.7773 7.7773 8.0919 8.0919 8.9810 8.9810 10.8208 10.8208 11.9058 11.9058 13.3338 13.3338 k = 0.5000 0.1575 0.0969 ( 3248 PWs) bands (ev): -15.8970 -15.8970 -15.8868 -15.8868 -12.9221 -12.9221 -12.9069 -12.9069 -12.9000 -12.9000 -5.0138 -5.0138 -4.1471 -4.1471 -0.2130 -0.2130 4.1755 4.1755 4.2788 4.2788 4.4149 4.4149 5.3709 5.3709 5.4388 5.4388 6.2190 6.2190 7.0437 7.0437 7.0980 7.0980 7.2524 7.2524 7.7874 7.7874 8.0740 8.0740 8.9754 8.9754 10.8216 10.8216 11.9097 11.9097 13.3291 13.3291 k = 0.5000-0.7150-0.4401 ( 3246 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6811 -3.6811 -3.6496 -3.6496 -1.5142 -1.5142 3.1942 3.1942 3.9002 3.9002 4.2630 4.2630 5.3967 5.3967 5.5495 5.5495 5.5856 5.5856 5.9579 5.9579 6.3521 6.3521 6.5212 6.5212 6.9776 6.9776 7.0862 7.0862 9.4175 9.4175 11.5405 11.5405 12.2988 12.2988 13.4382 13.4382 k = 0.5183-0.7057-0.4344 ( 3245 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6813 -3.6813 -3.6493 -3.6493 -1.5148 -1.5148 3.1951 3.1951 3.9019 3.9019 4.2637 4.2637 5.3947 5.3947 5.5454 5.5454 5.5881 5.5881 5.9587 5.9587 6.3350 6.3350 6.5352 6.5352 6.9847 6.9847 7.0828 7.0828 9.4216 9.4216 11.5362 11.5362 12.2927 12.2927 13.4404 13.4404 k = 0.5365-0.6965-0.4287 ( 3241 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6817 -3.6817 -3.6486 -3.6486 -1.5165 -1.5165 3.1978 3.1978 3.9071 3.9071 4.2660 4.2660 5.3889 5.3889 5.5358 5.5358 5.5930 5.5930 5.9609 5.9609 6.2946 6.2946 6.5669 6.5669 7.0035 7.0035 7.0745 7.0745 9.4335 9.4335 11.5234 11.5234 12.2748 12.2748 13.4465 13.4465 k = 0.5548-0.6872-0.4230 ( 3237 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6822 -3.6822 -3.6474 -3.6474 -1.5194 -1.5194 3.2022 3.2022 3.9158 3.9158 4.2698 4.2698 5.3788 5.3788 5.5242 5.5242 5.5978 5.5978 5.9635 5.9635 6.2441 6.2441 6.6045 6.6045 7.0183 7.0183 7.0762 7.0762 9.4529 9.4529 11.5026 11.5026 12.2459 12.2459 13.4558 13.4558 k = 0.5731-0.6779-0.4173 ( 3235 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6830 -3.6830 -3.6458 -3.6458 -1.5233 -1.5233 3.2080 3.2080 3.9282 3.9282 4.2750 4.2750 5.3642 5.3642 5.5128 5.5128 5.6015 5.6015 5.9654 5.9654 6.1902 6.1902 6.6428 6.6428 7.0050 7.0050 7.1115 7.1115 9.4787 9.4787 11.4744 11.4744 12.2072 12.2072 13.4670 13.4670 k = 0.5913-0.6687-0.4116 ( 3242 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6838 -3.6838 -3.6440 -3.6440 -1.5282 -1.5282 3.2150 3.2150 3.9444 3.9444 4.2817 4.2817 5.3452 5.3452 5.5025 5.5025 5.6040 5.6040 5.9640 5.9640 6.1372 6.1372 6.6787 6.6787 6.9793 6.9793 7.1654 7.1654 9.5101 9.5101 11.4398 11.4398 12.1602 12.1602 13.4788 13.4788 k = 0.6096-0.6594-0.4059 ( 3242 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6848 -3.6848 -3.6419 -3.6419 -1.5339 -1.5339 3.2230 3.2230 3.9644 3.9644 4.2899 4.2899 5.3224 5.3224 5.4937 5.4937 5.6052 5.6052 5.9553 5.9553 6.0903 6.0903 6.7061 6.7061 6.9562 6.9562 7.2282 7.2282 9.5456 9.5456 11.3998 11.3998 12.1065 12.1065 13.4898 13.4898 k = 0.6279-0.6502-0.4002 ( 3246 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9220 -12.9220 -12.9062 -12.9062 -12.8910 -12.8910 -3.6858 -3.6858 -3.6397 -3.6397 -1.5403 -1.5403 3.2317 3.2317 3.9885 3.9885 4.2994 4.2994 5.2966 5.2966 5.4864 5.4864 5.6051 5.6051 5.9326 5.9326 6.0568 6.0568 6.7138 6.7138 6.9495 6.9495 7.2965 7.2965 9.5836 9.5836 11.3559 11.3559 12.0474 12.0474 13.4989 13.4989 k = 0.6461-0.6409-0.3945 ( 3247 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9219 -12.9219 -12.9062 -12.9062 -12.8910 -12.8910 -3.6869 -3.6869 -3.6373 -3.6373 -1.5471 -1.5471 3.2407 3.2407 4.0167 4.0167 4.3104 4.3104 5.2687 5.2687 5.4802 5.4802 5.6036 5.6036 5.8941 5.8941 6.0389 6.0389 6.6935 6.6935 6.9692 6.9692 7.3684 7.3684 9.6227 9.6227 11.3094 11.3094 11.9847 11.9847 13.5054 13.5054 k = 0.6644-0.6316-0.3888 ( 3249 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9219 -12.9219 -12.9062 -12.9062 -12.8910 -12.8910 -3.6882 -3.6882 -3.6348 -3.6348 -1.5543 -1.5543 3.2497 3.2497 4.0489 4.0489 4.3228 4.3228 5.2395 5.2395 5.4748 5.4748 5.6003 5.6003 5.8468 5.8468 6.0303 6.0303 6.6505 6.6505 7.0112 7.0112 7.4428 7.4428 9.6608 9.6608 11.2617 11.2617 11.9198 11.9198 13.5088 13.5088 k = 0.6827-0.6224-0.3831 ( 3236 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9219 -12.9219 -12.9062 -12.9062 -12.8910 -12.8910 -3.6896 -3.6896 -3.6323 -3.6323 -1.5616 -1.5616 3.2586 3.2586 4.0852 4.0852 4.3365 4.3365 5.2097 5.2097 5.4700 5.4700 5.5943 5.5943 5.7979 5.7979 6.0248 6.0248 6.5947 6.5947 7.0664 7.0664 7.5185 7.5185 9.6961 9.6961 11.2144 11.2144 11.8542 11.8542 13.5088 13.5088 k = 0.7009-0.6131-0.3774 ( 3239 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9219 -12.9219 -12.9062 -12.9062 -12.8911 -12.8911 -3.6913 -3.6913 -3.6296 -3.6296 -1.5689 -1.5689 3.2672 3.2672 4.1251 4.1251 4.3516 4.3516 5.1799 5.1799 5.4656 5.4656 5.5839 5.5839 5.7519 5.7519 6.0195 6.0195 6.5326 6.5326 7.1297 7.1297 7.5948 7.5948 9.7263 9.7263 11.1687 11.1687 11.7899 11.7899 13.5056 13.5056 k = 0.7192-0.6038-0.3717 ( 3241 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9219 -12.9219 -12.9062 -12.9062 -12.8911 -12.8911 -3.6933 -3.6933 -3.6268 -3.6268 -1.5760 -1.5760 3.2753 3.2753 4.1684 4.1684 4.3682 4.3682 5.1504 5.1504 5.4614 5.4614 5.5664 5.5664 5.7130 5.7130 6.0126 6.0126 6.4681 6.4681 7.1984 7.1984 7.6708 7.6708 9.7496 9.7496 11.1259 11.1259 11.7286 11.7286 13.4992 13.4992 k = 0.7375-0.5946-0.3660 ( 3240 PWs) bands (ev): -15.8918 -15.8918 -15.8858 -15.8858 -12.9219 -12.9219 -12.9062 -12.9062 -12.8911 -12.8911 -3.6958 -3.6958 -3.6239 -3.6239 -1.5826 -1.5826 3.2829 3.2829 4.2142 4.2142 4.3865 4.3865 5.1216 5.1216 5.4572 5.4572 5.5394 5.5394 5.6845 5.6845 6.0026 6.0026 6.4041 6.4041 7.2710 7.2710 7.7460 7.7460 9.7639 9.7639 11.0865 11.0865 11.6726 11.6726 13.4901 13.4901 k = 0.7557-0.5853-0.3603 ( 3244 PWs) bands (ev): -15.8918 -15.8918 -15.8859 -15.8859 -12.9219 -12.9219 -12.9062 -12.9062 -12.8911 -12.8911 -3.6988 -3.6988 -3.6208 -3.6208 -1.5886 -1.5886 3.2899 3.2899 4.2613 4.2613 4.4071 4.4071 5.0937 5.0937 5.4523 5.4523 5.5041 5.5041 5.6661 5.6661 5.9879 5.9879 6.3439 6.3439 7.3464 7.3464 7.8194 7.8194 9.7679 9.7679 11.0503 11.0503 11.6244 11.6244 13.4787 13.4787 k = 0.7740-0.5760-0.3546 ( 3242 PWs) bands (ev): -15.8918 -15.8918 -15.8859 -15.8859 -12.9219 -12.9219 -12.9062 -12.9062 -12.8912 -12.8912 -3.7025 -3.7025 -3.6174 -3.6174 -1.5939 -1.5939 3.2966 3.2966 4.3075 4.3075 4.4314 4.4314 5.0670 5.0670 5.4414 5.4414 5.4693 5.4693 5.6545 5.6545 5.9667 5.9667 6.2904 6.2904 7.4240 7.4240 7.8905 7.8905 9.7608 9.7608 11.0165 11.0165 11.5866 11.5866 13.4653 13.4653 k = 0.7923-0.5668-0.3489 ( 3240 PWs) bands (ev): -15.8918 -15.8918 -15.8859 -15.8859 -12.9219 -12.9219 -12.9062 -12.9062 -12.8912 -12.8912 -3.7069 -3.7069 -3.6138 -3.6138 -1.5982 -1.5982 3.3028 3.3028 4.3496 4.3496 4.4617 4.4617 5.0417 5.0417 5.4074 5.4074 5.4552 5.4552 5.6468 5.6468 5.9377 5.9377 6.2466 6.2466 7.5030 7.5030 7.9584 7.9584 9.7426 9.7426 10.9837 10.9837 11.5615 11.5615 13.4505 13.4505 k = 0.8105-0.5575-0.3432 ( 3240 PWs) bands (ev): -15.8918 -15.8918 -15.8859 -15.8859 -12.9219 -12.9219 -12.9062 -12.9062 -12.8912 -12.8912 -3.7121 -3.7121 -3.6098 -3.6098 -1.6015 -1.6015 3.3087 3.3087 4.3841 4.3841 4.5000 4.5000 5.0179 5.0179 5.3630 5.3630 5.4511 5.4511 5.6408 5.6408 5.9009 5.9009 6.2137 6.2137 7.5829 7.5829 8.0221 8.0221 9.7143 9.7143 10.9505 10.9505 11.5503 11.5503 13.4343 13.4343 Writing output data file AgBiS2.save init_run : 0.70s CPU 0.93s WALL ( 1 calls) electrons : 144.86s CPU 146.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 144.86s CPU 146.82s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.15s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 304 calls) cegterg : 130.21s CPU 131.76s WALL ( 338 calls) Called by sum_band: Called by *egterg: h_psi : 98.84s CPU 100.34s WALL ( 5843 calls) s_psi : 3.44s CPU 3.47s WALL ( 5843 calls) g_psi : 0.15s CPU 0.12s WALL ( 5201 calls) cdiaghg : 30.91s CPU 31.21s WALL ( 5505 calls) cegterg:over : 3.30s CPU 3.23s WALL ( 5201 calls) cegterg:upda : 2.70s CPU 2.73s WALL ( 5201 calls) cegterg:last : 1.38s CPU 1.48s WALL ( 946 calls) cdiaghg:chol : 1.68s CPU 1.77s WALL ( 5505 calls) cdiaghg:inve : 1.07s CPU 1.10s WALL ( 5505 calls) cdiaghg:para : 1.90s CPU 1.77s WALL ( 11010 calls) Called by h_psi: h_psi:vloc : 91.28s CPU 92.60s WALL ( 5843 calls) h_psi:vnl : 7.46s CPU 7.61s WALL ( 5843 calls) add_vuspsi : 3.88s CPU 4.00s WALL ( 5843 calls) General routines calbec : 3.56s CPU 3.59s WALL ( 5843 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 81.36s CPU 82.88s WALL ( 552748 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.13s CPU 0.13s WALL ( 608 calls) Parallel routines fft_scatter : 20.66s CPU 20.93s WALL ( 552771 calls) PWSCF : 2m38.03s CPU 3m 3.17s WALL This run was terminated on: 19:21:21 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=