Program PWSCF v.5.1.1 starts on 19Jun2016 at 10: 4:47 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SiHgP2.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 105 44 12 3504 955 145 Max 106 45 13 3507 975 147 Sum 5069 2151 623 168269 46335 7015 bravais-lattice index = 14 lattice parameter (alat) = 12.6298 a.u. unit-cell volume = 1174.9593 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.629780 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.633668 celldm(5)= -0.633668 celldm(6)= 0.267337 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.267337 0.963603 0.000000 ) a(3) = ( -0.633668 -0.481802 0.605253 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.277434 0.826100 ) b(2) = ( 0.000000 1.037772 0.826100 ) b(3) = ( 0.000000 0.000000 1.652201 ) PseudoPot. # 1 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Si 4.00 28.08550 Si( 1.00) P 5.00 30.97380 P( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 275 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0000000 0.0211821), wk = 0.0036364 k( 3) = ( 0.0000000 0.0000000 0.0423641), wk = 0.0036364 k( 4) = ( 0.0000000 0.0000000 0.0635462), wk = 0.0036364 k( 5) = ( 0.0000000 0.0000000 0.0847282), wk = 0.0036364 k( 6) = ( 0.0000000 0.0000000 0.1059103), wk = 0.0036364 k( 7) = ( 0.0000000 0.0000000 0.1270924), wk = 0.0036364 k( 8) = ( 0.0000000 0.0000000 0.1482744), wk = 0.0036364 k( 9) = ( 0.0000000 0.0000000 0.1694565), wk = 0.0036364 k( 10) = ( 0.0000000 0.0000000 0.1906385), wk = 0.0036364 k( 11) = ( 0.0000000 0.0000000 0.2118206), wk = 0.0036364 k( 12) = ( 0.0000000 0.0000000 0.2330026), wk = 0.0036364 k( 13) = ( 0.0000000 0.0000000 0.2541847), wk = 0.0036364 k( 14) = ( 0.0000000 0.0000000 0.2753668), wk = 0.0036364 k( 15) = ( 0.0000000 0.0000000 0.2965488), wk = 0.0036364 k( 16) = ( 0.0000000 0.0000000 0.3177309), wk = 0.0036364 k( 17) = ( 0.0000000 0.0000000 0.3389130), wk = 0.0036364 k( 18) = ( 0.0000000 0.0000000 0.3600950), wk = 0.0036364 k( 19) = ( 0.0000000 0.0000000 0.3812771), wk = 0.0036364 k( 20) = ( 0.0000000 0.0000000 0.4024591), wk = 0.0036364 k( 21) = ( 0.0000000 0.0000000 0.4236412), wk = 0.0036364 k( 22) = ( 0.0000000 0.0000000 0.4448232), wk = 0.0036364 k( 23) = ( 0.0000000 0.0000000 0.4660053), wk = 0.0036364 k( 24) = ( 0.0000000 0.0000000 0.4871873), wk = 0.0036364 k( 25) = ( 0.0000000 0.0000000 0.5083694), wk = 0.0036364 k( 26) = ( 0.0000000 0.0000000 0.5295515), wk = 0.0036364 k( 27) = ( 0.0000000 0.0000000 0.5507335), wk = 0.0036364 k( 28) = ( 0.0000000 0.0000000 0.5719156), wk = 0.0036364 k( 29) = ( 0.0000000 0.0000000 0.5930977), wk = 0.0036364 k( 30) = ( 0.0000000 0.0000000 0.6142797), wk = 0.0036364 k( 31) = ( 0.0000000 0.0000000 0.6354618), wk = 0.0036364 k( 32) = ( 0.0000000 0.0000000 0.6566438), wk = 0.0036364 k( 33) = ( 0.0000000 0.0000000 0.6778259), wk = 0.0036364 k( 34) = ( 0.0000000 0.0000000 0.6990079), wk = 0.0036364 k( 35) = ( 0.0000000 0.0000000 0.7201900), wk = 0.0036364 k( 36) = ( 0.0000000 0.0000000 0.7413721), wk = 0.0036364 k( 37) = ( 0.0000000 0.0000000 0.7625541), wk = 0.0036364 k( 38) = ( 0.0000000 0.0000000 0.7837362), wk = 0.0036364 k( 39) = ( 0.0000000 0.0000000 0.8049182), wk = 0.0036364 k( 40) = ( 0.0000000 0.0000000 0.8261003), wk = 0.0036364 k( 41) = ( 0.0000000 0.0000000 0.8261003), wk = 0.0036364 k( 42) = ( -0.0120440 0.0158404 0.8261003), wk = 0.0036364 k( 43) = ( -0.0240880 0.0316807 0.8261003), wk = 0.0036364 k( 44) = ( -0.0361320 0.0475211 0.8261003), wk = 0.0036364 k( 45) = ( -0.0481760 0.0633614 0.8261003), wk = 0.0036364 k( 46) = ( -0.0602201 0.0792018 0.8261003), wk = 0.0036364 k( 47) = ( -0.0722641 0.0950421 0.8261003), wk = 0.0036364 k( 48) = ( -0.0843081 0.1108825 0.8261003), wk = 0.0036364 k( 49) = ( -0.0963521 0.1267229 0.8261003), wk = 0.0036364 k( 50) = ( -0.1083961 0.1425632 0.8261003), wk = 0.0036364 k( 51) = ( -0.1204401 0.1584036 0.8261003), wk = 0.0036364 k( 52) = ( -0.1324841 0.1742439 0.8261003), wk = 0.0036364 k( 53) = ( -0.1445281 0.1900843 0.8261003), wk = 0.0036364 k( 54) = ( -0.1445281 0.1900843 0.8261003), wk = 0.0036364 k( 55) = ( -0.1534149 0.2017723 0.8114175), wk = 0.0036364 k( 56) = ( -0.1623017 0.2134602 0.7967348), wk = 0.0036364 k( 57) = ( -0.1711885 0.2251482 0.7820520), wk = 0.0036364 k( 58) = ( -0.1800753 0.2368362 0.7673692), wk = 0.0036364 k( 59) = ( -0.1889621 0.2485241 0.7526865), wk = 0.0036364 k( 60) = ( -0.1978489 0.2602121 0.7380037), wk = 0.0036364 k( 61) = ( -0.2067357 0.2719001 0.7233209), wk = 0.0036364 k( 62) = ( -0.2156225 0.2835880 0.7086381), wk = 0.0036364 k( 63) = ( -0.2245093 0.2952760 0.6939554), wk = 0.0036364 k( 64) = ( -0.2333961 0.3069640 0.6792726), wk = 0.0036364 k( 65) = ( -0.2422829 0.3186519 0.6645898), wk = 0.0036364 k( 66) = ( -0.2511697 0.3303399 0.6499071), wk = 0.0036364 k( 67) = ( -0.2600565 0.3420279 0.6352243), wk = 0.0036364 k( 68) = ( -0.2689433 0.3537158 0.6205415), wk = 0.0036364 k( 69) = ( -0.2778301 0.3654038 0.6058588), wk = 0.0036364 k( 70) = ( -0.2867169 0.3770918 0.5911760), wk = 0.0036364 k( 71) = ( -0.2956037 0.3887797 0.5764932), wk = 0.0036364 k( 72) = ( -0.3044905 0.4004677 0.5618104), wk = 0.0036364 k( 73) = ( -0.3133773 0.4121557 0.5471277), wk = 0.0036364 k( 74) = ( -0.3222641 0.4238436 0.5324449), wk = 0.0036364 k( 75) = ( -0.3222641 0.4238436 0.5324449), wk = 0.0036364 k( 76) = ( -0.3133123 0.4120702 0.5176548), wk = 0.0036364 k( 77) = ( -0.3043605 0.4002968 0.5028646), wk = 0.0036364 k( 78) = ( -0.2954087 0.3885233 0.4880745), wk = 0.0036364 k( 79) = ( -0.2864570 0.3767499 0.4732844), wk = 0.0036364 k( 80) = ( -0.2775052 0.3649765 0.4584942), wk = 0.0036364 k( 81) = ( -0.2685534 0.3532030 0.4437041), wk = 0.0036364 k( 82) = ( -0.2596016 0.3414296 0.4289140), wk = 0.0036364 k( 83) = ( -0.2506498 0.3296562 0.4141238), wk = 0.0036364 k( 84) = ( -0.2416981 0.3178827 0.3993337), wk = 0.0036364 k( 85) = ( -0.2327463 0.3061093 0.3845435), wk = 0.0036364 k( 86) = ( -0.2237945 0.2943359 0.3697534), wk = 0.0036364 k( 87) = ( -0.2148427 0.2825624 0.3549633), wk = 0.0036364 k( 88) = ( -0.2058909 0.2707890 0.3401731), wk = 0.0036364 k( 89) = ( -0.1969392 0.2590156 0.3253830), wk = 0.0036364 k( 90) = ( -0.1879874 0.2472421 0.3105929), wk = 0.0036364 k( 91) = ( -0.1790356 0.2354687 0.2958027), wk = 0.0036364 k( 92) = ( -0.1700838 0.2236953 0.2810126), wk = 0.0036364 k( 93) = ( -0.1611320 0.2119218 0.2662225), wk = 0.0036364 k( 94) = ( -0.1521803 0.2001484 0.2514323), wk = 0.0036364 k( 95) = ( -0.1432285 0.1883750 0.2366422), wk = 0.0036364 k( 96) = ( -0.1342767 0.1766015 0.2218520), wk = 0.0036364 k( 97) = ( -0.1253249 0.1648281 0.2070619), wk = 0.0036364 k( 98) = ( -0.1163731 0.1530547 0.1922718), wk = 0.0036364 k( 99) = ( -0.1074214 0.1412812 0.1774816), wk = 0.0036364 k( 100) = ( -0.0984696 0.1295078 0.1626915), wk = 0.0036364 k( 101) = ( -0.0895178 0.1177343 0.1479014), wk = 0.0036364 k( 102) = ( -0.0805660 0.1059609 0.1331112), wk = 0.0036364 k( 103) = ( -0.0716142 0.0941875 0.1183211), wk = 0.0036364 k( 104) = ( -0.0626625 0.0824140 0.1035310), wk = 0.0036364 k( 105) = ( -0.0537107 0.0706406 0.0887408), wk = 0.0036364 k( 106) = ( -0.0447589 0.0588672 0.0739507), wk = 0.0036364 k( 107) = ( -0.0358071 0.0470937 0.0591605), wk = 0.0036364 k( 108) = ( -0.0268553 0.0353203 0.0443704), wk = 0.0036364 k( 109) = ( -0.0179036 0.0235469 0.0295803), wk = 0.0036364 k( 110) = ( -0.0089518 0.0117734 0.0147901), wk = 0.0036364 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 113) = ( 0.0166667 0.0126723 0.0000000), wk = 0.0036364 k( 114) = ( 0.0333333 0.0253446 0.0000000), wk = 0.0036364 k( 115) = ( 0.0500000 0.0380169 -0.0000000), wk = 0.0036364 k( 116) = ( 0.0666667 0.0506891 -0.0000000), wk = 0.0036364 k( 117) = ( 0.0833333 0.0633614 -0.0000000), wk = 0.0036364 k( 118) = ( 0.1000000 0.0760337 -0.0000000), wk = 0.0036364 k( 119) = ( 0.1166667 0.0887060 -0.0000000), wk = 0.0036364 k( 120) = ( 0.1333333 0.1013783 -0.0000000), wk = 0.0036364 k( 121) = ( 0.1500000 0.1140506 -0.0000000), wk = 0.0036364 k( 122) = ( 0.1666667 0.1267229 -0.0000000), wk = 0.0036364 k( 123) = ( 0.1833333 0.1393951 0.0000000), wk = 0.0036364 k( 124) = ( 0.2000000 0.1520674 -0.0000000), wk = 0.0036364 k( 125) = ( 0.2166667 0.1647397 -0.0000000), wk = 0.0036364 k( 126) = ( 0.2333333 0.1774120 0.0000000), wk = 0.0036364 k( 127) = ( 0.2500000 0.1900843 0.0000000), wk = 0.0036364 k( 128) = ( 0.2666667 0.2027566 0.0000000), wk = 0.0036364 k( 129) = ( 0.2833333 0.2154289 -0.0000000), wk = 0.0036364 k( 130) = ( 0.3000000 0.2281011 -0.0000000), wk = 0.0036364 k( 131) = ( 0.3166667 0.2407734 -0.0000000), wk = 0.0036364 k( 132) = ( 0.3333333 0.2534457 0.0000000), wk = 0.0036364 k( 133) = ( 0.3500000 0.2661180 0.0000000), wk = 0.0036364 k( 134) = ( 0.3666667 0.2787903 0.0000000), wk = 0.0036364 k( 135) = ( 0.3833333 0.2914626 -0.0000000), wk = 0.0036364 k( 136) = ( 0.4000000 0.3041349 -0.0000000), wk = 0.0036364 k( 137) = ( 0.4166667 0.3168072 0.0000000), wk = 0.0036364 k( 138) = ( 0.4333333 0.3294794 0.0000000), wk = 0.0036364 k( 139) = ( 0.4500000 0.3421517 0.0000000), wk = 0.0036364 k( 140) = ( 0.4666667 0.3548240 0.0000000), wk = 0.0036364 k( 141) = ( 0.4833333 0.3674963 -0.0000000), wk = 0.0036364 k( 142) = ( 0.5000000 0.3801686 0.0000000), wk = 0.0036364 k( 143) = ( 0.5000000 0.3801686 0.0000000), wk = 0.0036364 k( 144) = ( 0.4911132 0.3918566 0.0146828), wk = 0.0036364 k( 145) = ( 0.4822264 0.4035445 0.0293655), wk = 0.0036364 k( 146) = ( 0.4733396 0.4152325 0.0440483), wk = 0.0036364 k( 147) = ( 0.4644528 0.4269205 0.0587311), wk = 0.0036364 k( 148) = ( 0.4555660 0.4386084 0.0734138), wk = 0.0036364 k( 149) = ( 0.4466792 0.4502964 0.0880966), wk = 0.0036364 k( 150) = ( 0.4377924 0.4619844 0.1027794), wk = 0.0036364 k( 151) = ( 0.4289056 0.4736723 0.1174622), wk = 0.0036364 k( 152) = ( 0.4200188 0.4853603 0.1321449), wk = 0.0036364 k( 153) = ( 0.4111320 0.4970483 0.1468277), wk = 0.0036364 k( 154) = ( 0.4022452 0.5087362 0.1615105), wk = 0.0036364 k( 155) = ( 0.3933584 0.5204242 0.1761932), wk = 0.0036364 k( 156) = ( 0.3844716 0.5321122 0.1908760), wk = 0.0036364 k( 157) = ( 0.3755849 0.5438001 0.2055588), wk = 0.0036364 k( 158) = ( 0.3666981 0.5554881 0.2202415), wk = 0.0036364 k( 159) = ( 0.3578113 0.5671761 0.2349243), wk = 0.0036364 k( 160) = ( 0.3489245 0.5788640 0.2496071), wk = 0.0036364 k( 161) = ( 0.3400377 0.5905520 0.2642899), wk = 0.0036364 k( 162) = ( 0.3311509 0.6022400 0.2789726), wk = 0.0036364 k( 163) = ( 0.3222641 0.6139279 0.2936554), wk = 0.0036364 k( 164) = ( 0.3222641 0.6139279 0.2936554), wk = 0.0036364 k( 165) = ( 0.3033074 0.6083372 0.3006786), wk = 0.0036364 k( 166) = ( 0.2843506 0.6027465 0.3077019), wk = 0.0036364 k( 167) = ( 0.2653939 0.5971558 0.3147251), wk = 0.0036364 k( 168) = ( 0.2464372 0.5915651 0.3217483), wk = 0.0036364 k( 169) = ( 0.2274805 0.5859744 0.3287715), wk = 0.0036364 k( 170) = ( 0.2085238 0.5803837 0.3357947), wk = 0.0036364 k( 171) = ( 0.1895671 0.5747929 0.3428179), wk = 0.0036364 k( 172) = ( 0.1706104 0.5692022 0.3498412), wk = 0.0036364 k( 173) = ( 0.1516537 0.5636115 0.3568644), wk = 0.0036364 k( 174) = ( 0.1326970 0.5580208 0.3638876), wk = 0.0036364 k( 175) = ( 0.1137403 0.5524301 0.3709108), wk = 0.0036364 k( 176) = ( 0.0947835 0.5468394 0.3779340), wk = 0.0036364 k( 177) = ( 0.0758268 0.5412487 0.3849573), wk = 0.0036364 k( 178) = ( 0.0568701 0.5356579 0.3919805), wk = 0.0036364 k( 179) = ( 0.0379134 0.5300672 0.3990037), wk = 0.0036364 k( 180) = ( 0.0189567 0.5244765 0.4060269), wk = 0.0036364 k( 181) = ( 0.0000000 0.5188858 0.4130502), wk = 0.0036364 k( 182) = ( 0.0000000 0.5188858 0.4130502), wk = 0.0036364 k( 183) = ( 0.0089286 0.5071429 0.4278019), wk = 0.0036364 k( 184) = ( 0.0178571 0.4954000 0.4425537), wk = 0.0036364 k( 185) = ( 0.0267857 0.4836571 0.4573055), wk = 0.0036364 k( 186) = ( 0.0357143 0.4719141 0.4720573), wk = 0.0036364 k( 187) = ( 0.0446429 0.4601712 0.4868091), wk = 0.0036364 k( 188) = ( 0.0535714 0.4484283 0.5015609), wk = 0.0036364 k( 189) = ( 0.0625000 0.4366854 0.5163127), wk = 0.0036364 k( 190) = ( 0.0714286 0.4249425 0.5310645), wk = 0.0036364 k( 191) = ( 0.0803571 0.4131996 0.5458163), wk = 0.0036364 k( 192) = ( 0.0892857 0.4014567 0.5605681), wk = 0.0036364 k( 193) = ( 0.0982143 0.3897138 0.5753199), wk = 0.0036364 k( 194) = ( 0.1071429 0.3779709 0.5900716), wk = 0.0036364 k( 195) = ( 0.1160714 0.3662279 0.6048234), wk = 0.0036364 k( 196) = ( 0.1250000 0.3544850 0.6195752), wk = 0.0036364 k( 197) = ( 0.1339286 0.3427421 0.6343270), wk = 0.0036364 k( 198) = ( 0.1428571 0.3309992 0.6490788), wk = 0.0036364 k( 199) = ( 0.1517857 0.3192563 0.6638306), wk = 0.0036364 k( 200) = ( 0.1607143 0.3075134 0.6785824), wk = 0.0036364 k( 201) = ( 0.1696429 0.2957705 0.6933342), wk = 0.0036364 k( 202) = ( 0.1785714 0.2840276 0.7080860), wk = 0.0036364 k( 203) = ( 0.1875000 0.2722847 0.7228378), wk = 0.0036364 k( 204) = ( 0.1964286 0.2605418 0.7375896), wk = 0.0036364 k( 205) = ( 0.2053571 0.2487988 0.7523413), wk = 0.0036364 k( 206) = ( 0.2142857 0.2370559 0.7670931), wk = 0.0036364 k( 207) = ( 0.2232143 0.2253130 0.7818449), wk = 0.0036364 k( 208) = ( 0.2321429 0.2135701 0.7965967), wk = 0.0036364 k( 209) = ( 0.2410714 0.2018272 0.8113485), wk = 0.0036364 k( 210) = ( 0.2500000 0.1900843 0.8261003), wk = 0.0036364 k( 211) = ( 0.2500000 0.1900843 0.8261003), wk = 0.0036364 k( 212) = ( 0.2631579 0.2000887 0.8135324), wk = 0.0036364 k( 213) = ( 0.2763158 0.2100932 0.8009646), wk = 0.0036364 k( 214) = ( 0.2894737 0.2200976 0.7883967), wk = 0.0036364 k( 215) = ( 0.3026316 0.2301020 0.7758288), wk = 0.0036364 k( 216) = ( 0.3157895 0.2401065 0.7632610), wk = 0.0036364 k( 217) = ( 0.3289474 0.2501109 0.7506931), wk = 0.0036364 k( 218) = ( 0.3421053 0.2601153 0.7381252), wk = 0.0036364 k( 219) = ( 0.3552632 0.2701198 0.7255574), wk = 0.0036364 k( 220) = ( 0.3684211 0.2801242 0.7129895), wk = 0.0036364 k( 221) = ( 0.3815789 0.2901287 0.7004216), wk = 0.0036364 k( 222) = ( 0.3947368 0.3001331 0.6878538), wk = 0.0036364 k( 223) = ( 0.4078947 0.3101375 0.6752859), wk = 0.0036364 k( 224) = ( 0.4210526 0.3201420 0.6627180), wk = 0.0036364 k( 225) = ( 0.4342105 0.3301464 0.6501502), wk = 0.0036364 k( 226) = ( 0.4473684 0.3401508 0.6375823), wk = 0.0036364 k( 227) = ( 0.4605263 0.3501553 0.6250144), wk = 0.0036364 k( 228) = ( 0.4736842 0.3601597 0.6124465), wk = 0.0036364 k( 229) = ( 0.4868421 0.3701641 0.5998787), wk = 0.0036364 k( 230) = ( 0.5000000 0.3801686 0.5873108), wk = 0.0036364 k( 231) = ( 0.5000000 0.3801686 0.5873108), wk = 0.0036364 k( 232) = ( 0.5000000 0.3801686 0.5663354), wk = 0.0036364 k( 233) = ( 0.5000000 0.3801686 0.5453600), wk = 0.0036364 k( 234) = ( 0.5000000 0.3801686 0.5243846), wk = 0.0036364 k( 235) = ( 0.5000000 0.3801686 0.5034093), wk = 0.0036364 k( 236) = ( 0.5000000 0.3801686 0.4824339), wk = 0.0036364 k( 237) = ( 0.5000000 0.3801686 0.4614585), wk = 0.0036364 k( 238) = ( 0.5000000 0.3801686 0.4404831), wk = 0.0036364 k( 239) = ( 0.5000000 0.3801686 0.4195077), wk = 0.0036364 k( 240) = ( 0.5000000 0.3801686 0.3985323), wk = 0.0036364 k( 241) = ( 0.5000000 0.3801686 0.3775569), wk = 0.0036364 k( 242) = ( 0.5000000 0.3801686 0.3565816), wk = 0.0036364 k( 243) = ( 0.5000000 0.3801686 0.3356062), wk = 0.0036364 k( 244) = ( 0.5000000 0.3801686 0.3146308), wk = 0.0036364 k( 245) = ( 0.5000000 0.3801686 0.2936554), wk = 0.0036364 k( 246) = ( 0.5000000 0.3801686 0.2726800), wk = 0.0036364 k( 247) = ( 0.5000000 0.3801686 0.2517046), wk = 0.0036364 k( 248) = ( 0.5000000 0.3801686 0.2307293), wk = 0.0036364 k( 249) = ( 0.5000000 0.3801686 0.2097539), wk = 0.0036364 k( 250) = ( 0.5000000 0.3801686 0.1887785), wk = 0.0036364 k( 251) = ( 0.5000000 0.3801686 0.1678031), wk = 0.0036364 k( 252) = ( 0.5000000 0.3801686 0.1468277), wk = 0.0036364 k( 253) = ( 0.5000000 0.3801686 0.1258523), wk = 0.0036364 k( 254) = ( 0.5000000 0.3801686 0.1048769), wk = 0.0036364 k( 255) = ( 0.5000000 0.3801686 0.0839015), wk = 0.0036364 k( 256) = ( 0.5000000 0.3801686 0.0629262), wk = 0.0036364 k( 257) = ( 0.5000000 0.3801686 0.0419508), wk = 0.0036364 k( 258) = ( 0.5000000 0.3801686 0.0209754), wk = 0.0036364 k( 259) = ( 0.5000000 0.3801686 0.0000000), wk = 0.0036364 k( 260) = ( 0.0000000 0.0000000 0.8261003), wk = 0.0036364 k( 261) = ( 0.0166667 0.0126723 0.8261003), wk = 0.0036364 k( 262) = ( 0.0333333 0.0253446 0.8261003), wk = 0.0036364 k( 263) = ( 0.0500000 0.0380169 0.8261003), wk = 0.0036364 k( 264) = ( 0.0666667 0.0506891 0.8261003), wk = 0.0036364 k( 265) = ( 0.0833333 0.0633614 0.8261003), wk = 0.0036364 k( 266) = ( 0.1000000 0.0760337 0.8261003), wk = 0.0036364 k( 267) = ( 0.1166667 0.0887060 0.8261003), wk = 0.0036364 k( 268) = ( 0.1333333 0.1013783 0.8261003), wk = 0.0036364 k( 269) = ( 0.1500000 0.1140506 0.8261003), wk = 0.0036364 k( 270) = ( 0.1666667 0.1267229 0.8261003), wk = 0.0036364 k( 271) = ( 0.1833333 0.1393951 0.8261003), wk = 0.0036364 k( 272) = ( 0.2000000 0.1520674 0.8261003), wk = 0.0036364 k( 273) = ( 0.2166667 0.1647397 0.8261003), wk = 0.0036364 k( 274) = ( 0.2333333 0.1774120 0.8261003), wk = 0.0036364 k( 275) = ( 0.2500000 0.1900843 0.8261003), wk = 0.0036364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0036364 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0036364 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0036364 k( 5) = ( 0.0000000 0.0000000 0.0512820), wk = 0.0036364 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0036364 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0036364 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0036364 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0036364 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0036364 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0036364 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0036364 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0036364 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036364 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0036364 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0036364 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0036364 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0036364 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0036364 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0036364 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0036364 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0036364 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0036364 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0036364 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0036364 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0036364 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036364 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0036364 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0036364 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0036364 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0036364 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0036364 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0036364 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0036364 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0036364 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0036364 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0036364 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0036364 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0036364 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 42) = ( -0.0120440 0.0120440 0.5000000), wk = 0.0036364 k( 43) = ( -0.0240880 0.0240880 0.5000000), wk = 0.0036364 k( 44) = ( -0.0361320 0.0361320 0.5000000), wk = 0.0036364 k( 45) = ( -0.0481760 0.0481760 0.5000000), wk = 0.0036364 k( 46) = ( -0.0602201 0.0602201 0.5000000), wk = 0.0036364 k( 47) = ( -0.0722641 0.0722641 0.5000000), wk = 0.0036364 k( 48) = ( -0.0843081 0.0843081 0.5000000), wk = 0.0036364 k( 49) = ( -0.0963521 0.0963521 0.5000000), wk = 0.0036364 k( 50) = ( -0.1083961 0.1083961 0.5000000), wk = 0.0036364 k( 51) = ( -0.1204401 0.1204401 0.5000000), wk = 0.0036364 k( 52) = ( -0.1324841 0.1324841 0.5000000), wk = 0.0036364 k( 53) = ( -0.1445281 0.1445281 0.5000000), wk = 0.0036364 k( 54) = ( -0.1445281 0.1445281 0.5000000), wk = 0.0036364 k( 55) = ( -0.1534149 0.1534149 0.4911132), wk = 0.0036364 k( 56) = ( -0.1623017 0.1623017 0.4822264), wk = 0.0036364 k( 57) = ( -0.1711885 0.1711885 0.4733396), wk = 0.0036364 k( 58) = ( -0.1800753 0.1800753 0.4644528), wk = 0.0036364 k( 59) = ( -0.1889621 0.1889621 0.4555660), wk = 0.0036364 k( 60) = ( -0.1978489 0.1978489 0.4466792), wk = 0.0036364 k( 61) = ( -0.2067357 0.2067357 0.4377924), wk = 0.0036364 k( 62) = ( -0.2156225 0.2156225 0.4289056), wk = 0.0036364 k( 63) = ( -0.2245093 0.2245093 0.4200188), wk = 0.0036364 k( 64) = ( -0.2333961 0.2333961 0.4111320), wk = 0.0036364 k( 65) = ( -0.2422829 0.2422829 0.4022452), wk = 0.0036364 k( 66) = ( -0.2511697 0.2511697 0.3933584), wk = 0.0036364 k( 67) = ( -0.2600565 0.2600565 0.3844716), wk = 0.0036364 k( 68) = ( -0.2689433 0.2689433 0.3755848), wk = 0.0036364 k( 69) = ( -0.2778301 0.2778301 0.3666981), wk = 0.0036364 k( 70) = ( -0.2867169 0.2867169 0.3578113), wk = 0.0036364 k( 71) = ( -0.2956037 0.2956037 0.3489245), wk = 0.0036364 k( 72) = ( -0.3044905 0.3044905 0.3400377), wk = 0.0036364 k( 73) = ( -0.3133773 0.3133773 0.3311509), wk = 0.0036364 k( 74) = ( -0.3222641 0.3222641 0.3222641), wk = 0.0036364 k( 75) = ( -0.3222641 0.3222641 0.3222641), wk = 0.0036364 k( 76) = ( -0.3133123 0.3133123 0.3133123), wk = 0.0036364 k( 77) = ( -0.3043605 0.3043605 0.3043605), wk = 0.0036364 k( 78) = ( -0.2954087 0.2954087 0.2954087), wk = 0.0036364 k( 79) = ( -0.2864570 0.2864570 0.2864570), wk = 0.0036364 k( 80) = ( -0.2775052 0.2775052 0.2775052), wk = 0.0036364 k( 81) = ( -0.2685534 0.2685534 0.2685534), wk = 0.0036364 k( 82) = ( -0.2596016 0.2596016 0.2596016), wk = 0.0036364 k( 83) = ( -0.2506498 0.2506498 0.2506498), wk = 0.0036364 k( 84) = ( -0.2416981 0.2416981 0.2416981), wk = 0.0036364 k( 85) = ( -0.2327463 0.2327463 0.2327463), wk = 0.0036364 k( 86) = ( -0.2237945 0.2237945 0.2237945), wk = 0.0036364 k( 87) = ( -0.2148427 0.2148427 0.2148427), wk = 0.0036364 k( 88) = ( -0.2058909 0.2058909 0.2058909), wk = 0.0036364 k( 89) = ( -0.1969392 0.1969392 0.1969392), wk = 0.0036364 k( 90) = ( -0.1879874 0.1879874 0.1879874), wk = 0.0036364 k( 91) = ( -0.1790356 0.1790356 0.1790356), wk = 0.0036364 k( 92) = ( -0.1700838 0.1700838 0.1700838), wk = 0.0036364 k( 93) = ( -0.1611320 0.1611320 0.1611320), wk = 0.0036364 k( 94) = ( -0.1521803 0.1521803 0.1521803), wk = 0.0036364 k( 95) = ( -0.1432285 0.1432285 0.1432285), wk = 0.0036364 k( 96) = ( -0.1342767 0.1342767 0.1342767), wk = 0.0036364 k( 97) = ( -0.1253249 0.1253249 0.1253249), wk = 0.0036364 k( 98) = ( -0.1163731 0.1163731 0.1163731), wk = 0.0036364 k( 99) = ( -0.1074214 0.1074214 0.1074214), wk = 0.0036364 k( 100) = ( -0.0984696 0.0984696 0.0984696), wk = 0.0036364 k( 101) = ( -0.0895178 0.0895178 0.0895178), wk = 0.0036364 k( 102) = ( -0.0805660 0.0805660 0.0805660), wk = 0.0036364 k( 103) = ( -0.0716142 0.0716142 0.0716142), wk = 0.0036364 k( 104) = ( -0.0626625 0.0626625 0.0626625), wk = 0.0036364 k( 105) = ( -0.0537107 0.0537107 0.0537107), wk = 0.0036364 k( 106) = ( -0.0447589 0.0447589 0.0447589), wk = 0.0036364 k( 107) = ( -0.0358071 0.0358071 0.0358071), wk = 0.0036364 k( 108) = ( -0.0268553 0.0268553 0.0268553), wk = 0.0036364 k( 109) = ( -0.0179036 0.0179036 0.0179036), wk = 0.0036364 k( 110) = ( -0.0089518 0.0089518 0.0089518), wk = 0.0036364 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 113) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0036364 k( 114) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0036364 k( 115) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0036364 k( 116) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0036364 k( 117) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0036364 k( 118) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0036364 k( 119) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0036364 k( 120) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0036364 k( 121) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0036364 k( 122) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0036364 k( 123) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0036364 k( 124) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0036364 k( 125) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0036364 k( 126) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0036364 k( 127) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036364 k( 128) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0036364 k( 129) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0036364 k( 130) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0036364 k( 131) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0036364 k( 132) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0036364 k( 133) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0036364 k( 134) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0036364 k( 135) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0036364 k( 136) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0036364 k( 137) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0036364 k( 138) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0036364 k( 139) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0036364 k( 140) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0036364 k( 141) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0036364 k( 142) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 143) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 144) = ( 0.4911132 0.5088868 -0.4911132), wk = 0.0036364 k( 145) = ( 0.4822264 0.5177736 -0.4822264), wk = 0.0036364 k( 146) = ( 0.4733396 0.5266604 -0.4733396), wk = 0.0036364 k( 147) = ( 0.4644528 0.5355472 -0.4644528), wk = 0.0036364 k( 148) = ( 0.4555660 0.5444340 -0.4555660), wk = 0.0036364 k( 149) = ( 0.4466792 0.5533208 -0.4466792), wk = 0.0036364 k( 150) = ( 0.4377924 0.5622076 -0.4377924), wk = 0.0036364 k( 151) = ( 0.4289056 0.5710944 -0.4289056), wk = 0.0036364 k( 152) = ( 0.4200188 0.5799812 -0.4200188), wk = 0.0036364 k( 153) = ( 0.4111320 0.5888680 -0.4111320), wk = 0.0036364 k( 154) = ( 0.4022452 0.5977548 -0.4022452), wk = 0.0036364 k( 155) = ( 0.3933584 0.6066416 -0.3933584), wk = 0.0036364 k( 156) = ( 0.3844716 0.6155283 -0.3844716), wk = 0.0036364 k( 157) = ( 0.3755849 0.6244152 -0.3755848), wk = 0.0036364 k( 158) = ( 0.3666981 0.6333019 -0.3666981), wk = 0.0036364 k( 159) = ( 0.3578113 0.6421887 -0.3578113), wk = 0.0036364 k( 160) = ( 0.3489245 0.6510755 -0.3489245), wk = 0.0036364 k( 161) = ( 0.3400377 0.6599623 -0.3400377), wk = 0.0036364 k( 162) = ( 0.3311509 0.6688491 -0.3311509), wk = 0.0036364 k( 163) = ( 0.3222641 0.6777359 -0.3222641), wk = 0.0036364 k( 164) = ( 0.3222641 0.6777359 -0.3222641), wk = 0.0036364 k( 165) = ( 0.3033074 0.6672809 -0.3033074), wk = 0.0036364 k( 166) = ( 0.2843506 0.6568258 -0.2843506), wk = 0.0036364 k( 167) = ( 0.2653939 0.6463708 -0.2653939), wk = 0.0036364 k( 168) = ( 0.2464372 0.6359157 -0.2464372), wk = 0.0036364 k( 169) = ( 0.2274805 0.6254606 -0.2274805), wk = 0.0036364 k( 170) = ( 0.2085238 0.6150056 -0.2085238), wk = 0.0036364 k( 171) = ( 0.1895671 0.6045505 -0.1895671), wk = 0.0036364 k( 172) = ( 0.1706104 0.5940955 -0.1706104), wk = 0.0036364 k( 173) = ( 0.1516537 0.5836404 -0.1516537), wk = 0.0036364 k( 174) = ( 0.1326970 0.5731854 -0.1326970), wk = 0.0036364 k( 175) = ( 0.1137403 0.5627303 -0.1137403), wk = 0.0036364 k( 176) = ( 0.0947835 0.5522753 -0.0947836), wk = 0.0036364 k( 177) = ( 0.0758268 0.5418202 -0.0758268), wk = 0.0036364 k( 178) = ( 0.0568701 0.5313652 -0.0568701), wk = 0.0036364 k( 179) = ( 0.0379134 0.5209101 -0.0379134), wk = 0.0036364 k( 180) = ( 0.0189567 0.5104551 -0.0189567), wk = 0.0036364 k( 181) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 182) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 183) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036364 k( 184) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036364 k( 185) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036364 k( 186) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036364 k( 187) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036364 k( 188) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036364 k( 189) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036364 k( 190) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036364 k( 191) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036364 k( 192) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036364 k( 193) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036364 k( 194) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036364 k( 195) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036364 k( 196) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036364 k( 197) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036364 k( 198) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036364 k( 199) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036364 k( 200) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036364 k( 201) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036364 k( 202) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036364 k( 203) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036364 k( 204) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036364 k( 205) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036364 k( 206) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036364 k( 207) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036364 k( 208) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036364 k( 209) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036364 k( 210) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 k( 211) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 k( 212) = ( 0.2631579 0.2631579 0.2292354), wk = 0.0036364 k( 213) = ( 0.2763158 0.2763158 0.2084707), wk = 0.0036364 k( 214) = ( 0.2894737 0.2894737 0.1877061), wk = 0.0036364 k( 215) = ( 0.3026316 0.3026316 0.1669414), wk = 0.0036364 k( 216) = ( 0.3157895 0.3157895 0.1461768), wk = 0.0036364 k( 217) = ( 0.3289474 0.3289474 0.1254122), wk = 0.0036364 k( 218) = ( 0.3421053 0.3421053 0.1046475), wk = 0.0036364 k( 219) = ( 0.3552632 0.3552632 0.0838829), wk = 0.0036364 k( 220) = ( 0.3684211 0.3684211 0.0631182), wk = 0.0036364 k( 221) = ( 0.3815789 0.3815789 0.0423536), wk = 0.0036364 k( 222) = ( 0.3947368 0.3947368 0.0215890), wk = 0.0036364 k( 223) = ( 0.4078947 0.4078947 0.0008243), wk = 0.0036364 k( 224) = ( 0.4210526 0.4210526 -0.0199403), wk = 0.0036364 k( 225) = ( 0.4342105 0.4342105 -0.0407050), wk = 0.0036364 k( 226) = ( 0.4473684 0.4473684 -0.0614696), wk = 0.0036364 k( 227) = ( 0.4605263 0.4605263 -0.0822342), wk = 0.0036364 k( 228) = ( 0.4736842 0.4736842 -0.1029989), wk = 0.0036364 k( 229) = ( 0.4868421 0.4868421 -0.1237635), wk = 0.0036364 k( 230) = ( 0.5000000 0.5000000 -0.1445281), wk = 0.0036364 k( 231) = ( 0.5000000 0.5000000 -0.1445281), wk = 0.0036364 k( 232) = ( 0.5000000 0.5000000 -0.1572236), wk = 0.0036364 k( 233) = ( 0.5000000 0.5000000 -0.1699190), wk = 0.0036364 k( 234) = ( 0.5000000 0.5000000 -0.1826144), wk = 0.0036364 k( 235) = ( 0.5000000 0.5000000 -0.1953098), wk = 0.0036364 k( 236) = ( 0.5000000 0.5000000 -0.2080053), wk = 0.0036364 k( 237) = ( 0.5000000 0.5000000 -0.2207007), wk = 0.0036364 k( 238) = ( 0.5000000 0.5000000 -0.2333961), wk = 0.0036364 k( 239) = ( 0.5000000 0.5000000 -0.2460915), wk = 0.0036364 k( 240) = ( 0.5000000 0.5000000 -0.2587870), wk = 0.0036364 k( 241) = ( 0.5000000 0.5000000 -0.2714824), wk = 0.0036364 k( 242) = ( 0.5000000 0.5000000 -0.2841778), wk = 0.0036364 k( 243) = ( 0.5000000 0.5000000 -0.2968732), wk = 0.0036364 k( 244) = ( 0.5000000 0.5000000 -0.3095686), wk = 0.0036364 k( 245) = ( 0.5000000 0.5000000 -0.3222641), wk = 0.0036364 k( 246) = ( 0.5000000 0.5000000 -0.3349595), wk = 0.0036364 k( 247) = ( 0.5000000 0.5000000 -0.3476549), wk = 0.0036364 k( 248) = ( 0.5000000 0.5000000 -0.3603503), wk = 0.0036364 k( 249) = ( 0.5000000 0.5000000 -0.3730458), wk = 0.0036364 k( 250) = ( 0.5000000 0.5000000 -0.3857412), wk = 0.0036364 k( 251) = ( 0.5000000 0.5000000 -0.3984366), wk = 0.0036364 k( 252) = ( 0.5000000 0.5000000 -0.4111320), wk = 0.0036364 k( 253) = ( 0.5000000 0.5000000 -0.4238275), wk = 0.0036364 k( 254) = ( 0.5000000 0.5000000 -0.4365229), wk = 0.0036364 k( 255) = ( 0.5000000 0.5000000 -0.4492183), wk = 0.0036364 k( 256) = ( 0.5000000 0.5000000 -0.4619137), wk = 0.0036364 k( 257) = ( 0.5000000 0.5000000 -0.4746091), wk = 0.0036364 k( 258) = ( 0.5000000 0.5000000 -0.4873046), wk = 0.0036364 k( 259) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 260) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 261) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0036364 k( 262) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0036364 k( 263) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036364 k( 264) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0036364 k( 265) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0036364 k( 266) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036364 k( 267) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0036364 k( 268) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0036364 k( 269) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036364 k( 270) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0036364 k( 271) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0036364 k( 272) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036364 k( 273) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0036364 k( 274) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0036364 k( 275) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 Dense grid: 168269 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 46335 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 242, 62) NL pseudopotentials 0.50 Mb ( 121, 272) Each V/rho on FFT grid 0.20 Mb ( 13122) Each G-vector array 0.03 Mb ( 3505) G-vector shells 0.01 Mb ( 1612) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.92 Mb ( 242, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.51 Mb ( 272, 2, 62) The potential is recalculated from file : ./SiHgP2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 48.1 secs Computing kpt #: 2 total cpu time spent up to now is 53.6 secs Computing kpt #: 3 total cpu time spent up to now is 59.1 secs Computing kpt #: 4 total cpu time spent up to now is 64.7 secs Computing kpt #: 5 total cpu time spent up to now is 70.3 secs Computing kpt #: 6 total cpu time spent up to now is 75.8 secs Computing kpt #: 7 total cpu time spent up to now is 81.4 secs Computing kpt #: 8 total cpu time spent up to now is 87.0 secs Computing kpt #: 9 total cpu time spent up to now is 92.5 secs Computing kpt #: 10 total cpu time spent up to now is 98.0 secs Computing kpt #: 11 total cpu time spent up to now is 103.6 secs Computing kpt #: 12 total cpu time spent up to now is 109.3 secs Computing kpt #: 13 total cpu time spent up to now is 114.8 secs Computing kpt #: 14 total cpu time spent up to now is 120.5 secs Computing kpt #: 15 total cpu time spent up to now is 126.1 secs Computing kpt #: 16 total cpu time spent up to now is 131.7 secs Computing kpt #: 17 total cpu time spent up to now is 137.5 secs Computing kpt #: 18 total cpu time spent up to now is 143.7 secs Computing kpt #: 19 total cpu time spent up to now is 149.9 secs Computing kpt #: 20 total cpu time spent up to now is 156.9 secs Computing kpt #: 21 total cpu time spent up to now is 163.8 secs Computing kpt #: 22 total cpu time spent up to now is 170.8 secs Computing kpt #: 23 total cpu time spent up to now is 178.0 secs Computing kpt #: 24 total cpu time spent up to now is 184.3 secs Computing kpt #: 25 total cpu time spent up to now is 190.8 secs Computing kpt #: 26 total cpu time spent up to now is 197.2 secs Computing kpt #: 27 total cpu time spent up to now is 203.5 secs Computing kpt #: 28 total cpu time spent up to now is 209.8 secs Computing kpt #: 29 total cpu time spent up to now is 216.2 secs Computing kpt #: 30 total cpu time spent up to now is 222.6 secs Computing kpt #: 31 total cpu time spent up to now is 229.1 secs Computing kpt #: 32 total cpu time spent up to now is 235.4 secs Computing kpt #: 33 total cpu time spent up to now is 242.0 secs Computing kpt #: 34 total cpu time spent up to now is 248.4 secs Computing kpt #: 35 total cpu time spent up to now is 255.0 secs Computing kpt #: 36 total cpu time spent up to now is 261.5 secs Computing kpt #: 37 total cpu time spent up to now is 267.9 secs Computing kpt #: 38 total cpu time spent up to now is 274.3 secs Computing kpt #: 39 total cpu time spent up to now is 280.9 secs Computing kpt #: 40 total cpu time spent up to now is 288.2 secs Computing kpt #: 41 total cpu time spent up to now is 294.4 secs Computing kpt #: 42 total cpu time spent up to now is 300.7 secs Computing kpt #: 43 total cpu time spent up to now is 306.9 secs Computing kpt #: 44 total cpu time spent up to now is 313.2 secs Computing kpt #: 45 total cpu time spent up to now is 319.2 secs Computing kpt #: 46 total cpu time spent up to now is 325.2 secs Computing kpt #: 47 total cpu time spent up to now is 331.1 secs Computing kpt #: 48 total cpu time spent up to now is 337.2 secs Computing kpt #: 49 total cpu time spent up to now is 343.5 secs Computing kpt #: 50 total cpu time spent up to now is 349.7 secs Computing kpt #: 51 total cpu time spent up to now is 355.9 secs Computing kpt #: 52 total cpu time spent up to now is 362.2 secs Computing kpt #: 53 total cpu time spent up to now is 368.5 secs Computing kpt #: 54 total cpu time spent up to now is 374.8 secs Computing kpt #: 55 total cpu time spent up to now is 381.1 secs Computing kpt #: 56 total cpu time spent up to now is 387.3 secs Computing kpt #: 57 total cpu time spent up to now is 393.5 secs Computing kpt #: 58 total cpu time spent up to now is 399.8 secs Computing kpt #: 59 total cpu time spent up to now is 406.1 secs Computing kpt #: 60 total cpu time spent up to now is 412.3 secs Computing kpt #: 61 total cpu time spent up to now is 418.6 secs Computing kpt #: 62 total cpu time spent up to now is 424.9 secs Computing kpt #: 63 total cpu time spent up to now is 431.3 secs Computing kpt #: 64 total cpu time spent up to now is 438.3 secs Computing kpt #: 65 total cpu time spent up to now is 444.5 secs Computing kpt #: 66 total cpu time spent up to now is 450.7 secs Computing kpt #: 67 total cpu time spent up to now is 456.9 secs Computing kpt #: 68 total cpu time spent up to now is 463.2 secs Computing kpt #: 69 total cpu time spent up to now is 469.6 secs Computing kpt #: 70 total cpu time spent up to now is 476.4 secs Computing kpt #: 71 total cpu time spent up to now is 482.8 secs Computing kpt #: 72 total cpu time spent up to now is 488.8 secs Computing kpt #: 73 total cpu time spent up to now is 494.8 secs Computing kpt #: 74 total cpu time spent up to now is 501.2 secs Computing kpt #: 75 total cpu time spent up to now is 507.3 secs Computing kpt #: 76 total cpu time spent up to now is 513.3 secs Computing kpt #: 77 total cpu time spent up to now is 519.7 secs Computing kpt #: 78 total cpu time spent up to now is 526.1 secs Computing kpt #: 79 total cpu time spent up to now is 532.7 secs Computing kpt #: 80 total cpu time spent up to now is 539.2 secs Computing kpt #: 81 total cpu time spent up to now is 545.9 secs Computing kpt #: 82 total cpu time spent up to now is 552.5 secs Computing kpt #: 83 total cpu time spent up to now is 559.1 secs Computing kpt #: 84 total cpu time spent up to now is 565.6 secs Computing kpt #: 85 total cpu time spent up to now is 572.2 secs Computing kpt #: 86 total cpu time spent up to now is 578.7 secs Computing kpt #: 87 total cpu time spent up to now is 587.5 secs Computing kpt #: 88 total cpu time spent up to now is 595.0 secs Computing kpt #: 89 total cpu time spent up to now is 601.4 secs Computing kpt #: 90 total cpu time spent up to now is 607.8 secs Computing kpt #: 91 total cpu time spent up to now is 614.1 secs Computing kpt #: 92 total cpu time spent up to now is 620.5 secs Computing kpt #: 93 total cpu time spent up to now is 626.6 secs Computing kpt #: 94 total cpu time spent up to now is 632.8 secs Computing kpt #: 95 total cpu time spent up to now is 638.8 secs Computing kpt #: 96 total cpu time spent up to now is 644.3 secs Computing kpt #: 97 total cpu time spent up to now is 649.9 secs Computing kpt #: 98 total cpu time spent up to now is 655.6 secs Computing kpt #: 99 total cpu time spent up to now is 661.3 secs Computing kpt #: 100 total cpu time spent up to now is 667.1 secs Computing kpt #: 101 total cpu time spent up to now is 672.9 secs Computing kpt #: 102 total cpu time spent up to now is 678.6 secs Computing kpt #: 103 total cpu time spent up to now is 684.3 secs Computing kpt #: 104 total cpu time spent up to now is 690.0 secs Computing kpt #: 105 total cpu time spent up to now is 695.7 secs Computing kpt #: 106 total cpu time spent up to now is 701.4 secs Computing kpt #: 107 total cpu time spent up to now is 707.0 secs Computing kpt #: 108 total cpu time spent up to now is 712.6 secs Computing kpt #: 109 total cpu time spent up to now is 718.1 secs Computing kpt #: 110 total cpu time spent up to now is 723.6 secs Computing kpt #: 111 total cpu time spent up to now is 729.0 secs Computing kpt #: 112 total cpu time spent up to now is 734.6 secs Computing kpt #: 113 total cpu time spent up to now is 740.2 secs Computing kpt #: 114 total cpu time spent up to now is 745.9 secs Computing kpt #: 115 total cpu time spent up to now is 751.6 secs Computing kpt #: 116 total cpu time spent up to now is 757.5 secs Computing kpt #: 117 total cpu time spent up to now is 763.3 secs Computing kpt #: 118 total cpu time spent up to now is 769.5 secs Computing kpt #: 119 total cpu time spent up to now is 775.9 secs Computing kpt #: 120 total cpu time spent up to now is 782.0 secs Computing kpt #: 121 total cpu time spent up to now is 787.8 secs Computing kpt #: 122 total cpu time spent up to now is 793.9 secs Computing kpt #: 123 total cpu time spent up to now is 800.3 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 809.4 secs Computing kpt #: 125 total cpu time spent up to now is 815.8 secs Computing kpt #: 126 total cpu time spent up to now is 822.8 secs Computing kpt #: 127 total cpu time spent up to now is 829.8 secs Computing kpt #: 128 total cpu time spent up to now is 837.0 secs Computing kpt #: 129 total cpu time spent up to now is 843.7 secs Computing kpt #: 130 total cpu time spent up to now is 850.6 secs Computing kpt #: 131 total cpu time spent up to now is 857.4 secs Computing kpt #: 132 total cpu time spent up to now is 863.9 secs Computing kpt #: 133 total cpu time spent up to now is 870.3 secs Computing kpt #: 134 total cpu time spent up to now is 875.8 secs Computing kpt #: 135 total cpu time spent up to now is 881.6 secs Computing kpt #: 136 total cpu time spent up to now is 889.7 secs Computing kpt #: 137 total cpu time spent up to now is 895.3 secs Computing kpt #: 138 total cpu time spent up to now is 900.8 secs Computing kpt #: 139 total cpu time spent up to now is 906.3 secs Computing kpt #: 140 total cpu time spent up to now is 911.8 secs Computing kpt #: 141 total cpu time spent up to now is 917.9 secs Computing kpt #: 142 total cpu time spent up to now is 923.3 secs Computing kpt #: 143 total cpu time spent up to now is 928.7 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 937.7 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 946.8 secs Computing kpt #: 146 total cpu time spent up to now is 954.0 secs Computing kpt #: 147 total cpu time spent up to now is 961.0 secs Computing kpt #: 148 total cpu time spent up to now is 968.0 secs Computing kpt #: 149 total cpu time spent up to now is 974.4 secs Computing kpt #: 150 total cpu time spent up to now is 980.7 secs Computing kpt #: 151 total cpu time spent up to now is 988.5 secs Computing kpt #: 152 total cpu time spent up to now is 996.4 secs Computing kpt #: 153 total cpu time spent up to now is 1002.8 secs Computing kpt #: 154 total cpu time spent up to now is 1009.0 secs Computing kpt #: 155 total cpu time spent up to now is 1015.4 secs Computing kpt #: 156 total cpu time spent up to now is 1021.4 secs Computing kpt #: 157 total cpu time spent up to now is 1027.6 secs Computing kpt #: 158 total cpu time spent up to now is 1033.8 secs Computing kpt #: 159 total cpu time spent up to now is 1039.8 secs Computing kpt #: 160 total cpu time spent up to now is 1045.9 secs Computing kpt #: 161 total cpu time spent up to now is 1051.7 secs Computing kpt #: 162 total cpu time spent up to now is 1057.8 secs Computing kpt #: 163 total cpu time spent up to now is 1063.9 secs Computing kpt #: 164 total cpu time spent up to now is 1070.1 secs Computing kpt #: 165 total cpu time spent up to now is 1076.7 secs Computing kpt #: 166 total cpu time spent up to now is 1083.5 secs Computing kpt #: 167 total cpu time spent up to now is 1090.0 secs Computing kpt #: 168 total cpu time spent up to now is 1096.6 secs Computing kpt #: 169 total cpu time spent up to now is 1102.9 secs Computing kpt #: 170 total cpu time spent up to now is 1109.3 secs Computing kpt #: 171 total cpu time spent up to now is 1115.8 secs Computing kpt #: 172 total cpu time spent up to now is 1122.2 secs Computing kpt #: 173 total cpu time spent up to now is 1128.6 secs Computing kpt #: 174 total cpu time spent up to now is 1135.1 secs Computing kpt #: 175 total cpu time spent up to now is 1141.6 secs Computing kpt #: 176 total cpu time spent up to now is 1148.2 secs Computing kpt #: 177 total cpu time spent up to now is 1154.7 secs Computing kpt #: 178 total cpu time spent up to now is 1161.4 secs Computing kpt #: 179 total cpu time spent up to now is 1167.9 secs Computing kpt #: 180 total cpu time spent up to now is 1174.4 secs Computing kpt #: 181 total cpu time spent up to now is 1180.9 secs Computing kpt #: 182 total cpu time spent up to now is 1190.1 secs Computing kpt #: 183 total cpu time spent up to now is 1196.5 secs Computing kpt #: 184 total cpu time spent up to now is 1203.0 secs Computing kpt #: 185 total cpu time spent up to now is 1209.5 secs Computing kpt #: 186 total cpu time spent up to now is 1215.9 secs Computing kpt #: 187 total cpu time spent up to now is 1222.3 secs Computing kpt #: 188 total cpu time spent up to now is 1228.6 secs Computing kpt #: 189 total cpu time spent up to now is 1234.3 secs Computing kpt #: 190 total cpu time spent up to now is 1240.1 secs Computing kpt #: 191 total cpu time spent up to now is 1245.8 secs Computing kpt #: 192 total cpu time spent up to now is 1251.5 secs Computing kpt #: 193 total cpu time spent up to now is 1257.1 secs Computing kpt #: 194 total cpu time spent up to now is 1262.9 secs Computing kpt #: 195 total cpu time spent up to now is 1268.6 secs Computing kpt #: 196 total cpu time spent up to now is 1274.4 secs Computing kpt #: 197 total cpu time spent up to now is 1280.2 secs Computing kpt #: 198 total cpu time spent up to now is 1285.9 secs Computing kpt #: 199 total cpu time spent up to now is 1291.6 secs Computing kpt #: 200 total cpu time spent up to now is 1297.3 secs Computing kpt #: 201 total cpu time spent up to now is 1303.0 secs Computing kpt #: 202 total cpu time spent up to now is 1308.7 secs Computing kpt #: 203 total cpu time spent up to now is 1314.5 secs Computing kpt #: 204 total cpu time spent up to now is 1320.3 secs Computing kpt #: 205 total cpu time spent up to now is 1326.1 secs Computing kpt #: 206 total cpu time spent up to now is 1331.9 secs Computing kpt #: 207 total cpu time spent up to now is 1337.7 secs Computing kpt #: 208 total cpu time spent up to now is 1343.8 secs Computing kpt #: 209 total cpu time spent up to now is 1349.7 secs Computing kpt #: 210 total cpu time spent up to now is 1355.7 secs Computing kpt #: 211 total cpu time spent up to now is 1361.8 secs Computing kpt #: 212 total cpu time spent up to now is 1368.0 secs Computing kpt #: 213 total cpu time spent up to now is 1374.1 secs Computing kpt #: 214 total cpu time spent up to now is 1380.1 secs Computing kpt #: 215 total cpu time spent up to now is 1386.0 secs Computing kpt #: 216 total cpu time spent up to now is 1391.8 secs Computing kpt #: 217 total cpu time spent up to now is 1397.6 secs Computing kpt #: 218 total cpu time spent up to now is 1403.3 secs Computing kpt #: 219 total cpu time spent up to now is 1409.1 secs Computing kpt #: 220 total cpu time spent up to now is 1414.9 secs Computing kpt #: 221 total cpu time spent up to now is 1420.7 secs Computing kpt #: 222 total cpu time spent up to now is 1426.4 secs Computing kpt #: 223 total cpu time spent up to now is 1432.1 secs Computing kpt #: 224 total cpu time spent up to now is 1437.9 secs Computing kpt #: 225 total cpu time spent up to now is 1443.7 secs Computing kpt #: 226 total cpu time spent up to now is 1449.5 secs Computing kpt #: 227 total cpu time spent up to now is 1455.3 secs Computing kpt #: 228 total cpu time spent up to now is 1461.1 secs Computing kpt #: 229 total cpu time spent up to now is 1467.2 secs Computing kpt #: 230 total cpu time spent up to now is 1473.5 secs Computing kpt #: 231 total cpu time spent up to now is 1479.9 secs Computing kpt #: 232 total cpu time spent up to now is 1487.2 secs Computing kpt #: 233 total cpu time spent up to now is 1493.4 secs Computing kpt #: 234 total cpu time spent up to now is 1499.7 secs Computing kpt #: 235 total cpu time spent up to now is 1506.0 secs Computing kpt #: 236 total cpu time spent up to now is 1512.3 secs Computing kpt #: 237 total cpu time spent up to now is 1518.6 secs Computing kpt #: 238 total cpu time spent up to now is 1524.8 secs Computing kpt #: 239 total cpu time spent up to now is 1531.1 secs Computing kpt #: 240 total cpu time spent up to now is 1537.2 secs Computing kpt #: 241 total cpu time spent up to now is 1543.4 secs Computing kpt #: 242 total cpu time spent up to now is 1549.5 secs Computing kpt #: 243 total cpu time spent up to now is 1556.3 secs Computing kpt #: 244 total cpu time spent up to now is 1562.9 secs Computing kpt #: 245 total cpu time spent up to now is 1570.0 secs Computing kpt #: 246 total cpu time spent up to now is 1577.3 secs Computing kpt #: 247 total cpu time spent up to now is 1584.4 secs Computing kpt #: 248 total cpu time spent up to now is 1591.5 secs Computing kpt #: 249 total cpu time spent up to now is 1598.6 secs Computing kpt #: 250 total cpu time spent up to now is 1604.9 secs Computing kpt #: 251 total cpu time spent up to now is 1612.2 secs Computing kpt #: 252 total cpu time spent up to now is 1619.4 secs Computing kpt #: 253 total cpu time spent up to now is 1626.4 secs Computing kpt #: 254 total cpu time spent up to now is 1633.4 secs Computing kpt #: 255 total cpu time spent up to now is 1640.5 secs Computing kpt #: 256 total cpu time spent up to now is 1647.8 secs Computing kpt #: 257 total cpu time spent up to now is 1656.4 secs Computing kpt #: 258 total cpu time spent up to now is 1665.1 secs Computing kpt #: 259 total cpu time spent up to now is 1670.6 secs Computing kpt #: 260 total cpu time spent up to now is 1677.0 secs Computing kpt #: 261 total cpu time spent up to now is 1683.6 secs Computing kpt #: 262 total cpu time spent up to now is 1690.3 secs Computing kpt #: 263 total cpu time spent up to now is 1696.8 secs Computing kpt #: 264 total cpu time spent up to now is 1703.2 secs Computing kpt #: 265 total cpu time spent up to now is 1709.8 secs Computing kpt #: 266 total cpu time spent up to now is 1716.1 secs Computing kpt #: 267 total cpu time spent up to now is 1722.6 secs Computing kpt #: 268 total cpu time spent up to now is 1729.0 secs Computing kpt #: 269 total cpu time spent up to now is 1735.4 secs Computing kpt #: 270 total cpu time spent up to now is 1741.7 secs Computing kpt #: 271 total cpu time spent up to now is 1748.1 secs Computing kpt #: 272 total cpu time spent up to now is 1754.1 secs Computing kpt #: 273 total cpu time spent up to now is 1760.6 secs Computing kpt #: 274 total cpu time spent up to now is 1767.0 secs Computing kpt #: 275 total cpu time spent up to now is 1773.4 secs ethr = 1.92E-11, avg # of iterations = 46.7 total cpu time spent up to now is 1773.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5801 PWs) bands (ev): -5.4325 -5.4325 -3.3068 -3.3068 -3.2814 -3.2814 -3.2135 -3.2135 -1.2094 -1.2094 -0.9509 -0.9509 -0.8284 -0.8284 -0.5078 -0.5078 -0.3156 -0.3156 0.3702 0.3702 0.5300 0.5300 0.6895 0.6895 0.9227 0.9227 1.1523 1.1523 1.1638 1.1638 1.2478 1.2478 2.0792 2.0792 3.1039 3.1039 3.1375 3.1375 3.7110 3.7110 4.2692 4.2692 4.7048 4.7048 4.9512 4.9512 7.1730 7.1730 7.2572 7.2572 7.6133 7.6133 8.1203 8.1203 8.6043 8.6043 8.8568 8.8568 10.0687 10.0687 10.3188 10.3188 k = 0.0000 0.0000 0.0212 ( 5789 PWs) bands (ev): -5.4315 -5.4313 -3.3083 -3.3076 -3.2827 -3.2822 -3.2154 -3.2120 -1.2158 -1.2011 -0.9565 -0.9457 -0.8303 -0.8275 -0.5146 -0.5016 -0.3357 -0.2954 0.3611 0.3776 0.5259 0.5352 0.6897 0.6924 0.9097 0.9338 1.1445 1.1474 1.1659 1.1737 1.2486 1.2516 2.0764 2.0817 3.1014 3.1059 3.1349 3.1404 3.7093 3.7139 4.2611 4.2796 4.6863 4.7225 4.9503 4.9559 7.1515 7.1654 7.2419 7.2492 7.6054 7.6122 8.1385 8.1457 8.6022 8.6167 8.8603 8.8646 10.0664 10.0748 10.3188 10.3197 k = 0.0000 0.0000 0.0424 ( 5783 PWs) bands (ev): -5.4285 -5.4281 -3.3119 -3.3109 -3.2858 -3.2851 -3.2179 -3.2110 -1.2205 -1.1911 -0.9623 -0.9408 -0.8329 -0.8276 -0.5217 -0.4960 -0.3554 -0.2756 0.3511 0.3826 0.5233 0.5411 0.6924 0.6984 0.8951 0.9426 1.1318 1.1407 1.1719 1.1852 1.2546 1.2595 2.0733 2.0837 3.0986 3.1062 3.1337 3.1438 3.7089 3.7180 4.2548 4.2921 4.6659 4.7412 4.9550 4.9628 7.0883 7.1217 7.2242 7.2298 7.5878 7.6024 8.1960 8.2062 8.6108 8.6369 8.8749 8.8856 10.0685 10.0838 10.3197 10.3218 k = 0.0000 0.0000 0.0635 ( 5789 PWs) bands (ev): -5.4233 -5.4228 -3.3177 -3.3167 -3.2907 -3.2900 -3.2208 -3.2103 -1.2232 -1.1794 -0.9683 -0.9366 -0.8359 -0.8287 -0.5291 -0.4916 -0.3742 -0.2563 0.3408 0.3848 0.5222 0.5473 0.6973 0.7076 0.8795 0.9491 1.1188 1.1344 1.1767 1.1961 1.2658 1.2707 2.0698 2.0852 3.0956 3.1036 3.1358 3.1482 3.7102 3.7231 4.2493 4.3049 4.6441 4.7625 4.9669 4.9711 6.9883 7.0371 7.2130 7.2167 7.5605 7.5836 8.2799 8.2883 8.6283 8.6608 8.9019 8.9228 10.0755 10.0947 10.3217 10.3256 k = 0.0000 0.0000 0.0847 ( 5781 PWs) bands (ev): -5.4161 -5.4155 -3.3256 -3.3253 -3.2972 -3.2971 -3.2240 -3.2099 -1.2240 -1.1663 -0.9744 -0.9330 -0.8390 -0.8310 -0.5368 -0.4889 -0.3911 -0.2379 0.3309 0.3844 0.5226 0.5536 0.7036 0.7195 0.8636 0.9534 1.1063 1.1289 1.1803 1.2064 1.2810 1.2844 2.0660 2.0859 3.0922 3.0982 3.1416 3.1545 3.7133 3.7294 4.2433 4.3147 4.6244 4.7875 4.9813 4.9865 6.8671 6.9263 7.2037 7.2071 7.5244 7.5558 8.3776 8.3813 8.6518 8.6846 8.9435 8.9788 10.0875 10.1068 10.3257 10.3319 k = 0.0000 0.0000 0.1059 ( 5783 PWs) bands (ev): -5.4069 -5.4061 -3.3367 -3.3357 -3.3061 -3.3051 -3.2275 -3.2098 -1.2229 -1.1518 -0.9807 -0.9304 -0.8418 -0.8342 -0.5445 -0.4890 -0.4051 -0.2206 0.3217 0.3817 0.5241 0.5599 0.7109 0.7337 0.8481 0.9559 1.0946 1.1239 1.1830 1.2162 1.2986 1.2997 2.0616 2.0857 3.0888 3.0915 3.1506 3.1637 3.7188 3.7370 4.2355 4.3163 4.6128 4.8166 4.9943 5.0136 6.7340 6.8006 7.1942 7.1973 7.4804 7.5194 8.4780 8.4806 8.6778 8.7063 9.0020 9.0539 10.1042 10.1193 10.3324 10.3410 k = 0.0000 0.0000 0.1271 ( 5790 PWs) bands (ev): -5.3956 -5.3946 -3.3509 -3.3479 -3.3171 -3.3143 -3.2311 -3.2100 -1.2200 -1.1361 -0.9869 -0.9290 -0.8438 -0.8383 -0.5524 -0.4931 -0.4146 -0.2046 0.3135 0.3775 0.5262 0.5664 0.7183 0.7493 0.8334 0.9568 1.0839 1.1191 1.1856 1.2259 1.3159 1.3171 2.0566 2.0840 3.0846 3.0858 3.1626 3.1764 3.7267 3.7459 4.2248 4.3049 4.6159 4.8501 5.0114 5.0470 6.5941 6.6661 7.1837 7.1858 7.4297 7.4750 8.5741 8.5833 8.7037 8.7260 9.0784 9.1463 10.1246 10.1316 10.3433 10.3534 k = 0.0000 0.0000 0.1483 ( 5790 PWs) bands (ev): -5.3823 -5.3811 -3.3676 -3.3624 -3.3297 -3.3248 -3.2348 -3.2105 -1.2151 -1.1196 -0.9931 -0.9288 -0.8445 -0.8431 -0.5603 -0.5016 -0.4190 -0.1902 0.3064 0.3723 0.5285 0.5729 0.7253 0.7651 0.8201 0.9566 1.0745 1.1143 1.1884 1.2358 1.3321 1.3351 2.0506 2.0807 3.0787 3.0838 3.1775 3.1932 3.7373 3.7565 4.2109 4.2799 4.6357 4.8878 5.0336 5.0859 6.4503 6.5263 7.1716 7.1720 7.3739 7.4233 8.6668 8.6817 8.7287 8.7450 9.1720 9.2532 10.1431 10.1469 10.3600 10.3693 k = 0.0000 0.0000 0.1695 ( 5778 PWs) bands (ev): -5.3670 -5.3657 -3.3867 -3.3793 -3.3436 -3.3365 -3.2386 -3.2114 -1.2084 -1.1026 -0.9993 -0.9299 -0.8484 -0.8437 -0.5681 -0.5137 -0.4190 -0.1775 0.3003 0.3667 0.5309 0.5797 0.7312 0.7801 0.8088 0.9556 1.0664 1.1092 1.1918 1.2458 1.3478 1.3514 2.0433 2.0753 3.0744 3.0835 3.1959 3.2144 3.7509 3.7689 4.1940 4.2458 4.6697 4.9295 5.0613 5.1290 6.3050 6.3835 7.1530 7.1590 7.3153 7.3653 8.7524 8.7548 8.7569 8.7810 9.2808 9.3715 10.1536 10.1691 10.3846 10.3891 k = 0.0000 0.0000 0.1906 ( 5794 PWs) bands (ev): -5.3498 -5.3483 -3.4079 -3.3984 -3.3585 -3.3493 -3.2426 -3.2126 -1.1998 -1.0854 -1.0053 -0.9318 -0.8541 -0.8414 -0.5759 -0.5277 -0.4161 -0.1668 0.2952 0.3611 0.5333 0.5868 0.7351 0.7933 0.8002 0.9539 1.0597 1.1036 1.1960 1.2560 1.3624 1.3652 2.0343 2.0675 3.0721 3.0852 3.2181 3.2405 3.7676 3.7833 4.1752 4.2082 4.7141 4.9748 5.0942 5.1751 6.1595 6.2395 7.1266 7.1445 7.2582 7.3017 8.7765 8.7789 8.8357 8.8634 9.4021 9.4981 10.1627 10.1894 10.4129 10.4183 k = 0.0000 0.0000 0.2118 ( 5796 PWs) bands (ev): -5.3306 -5.3289 -3.4309 -3.4198 -3.3743 -3.3633 -3.2466 -3.2143 -1.1896 -1.0689 -1.0111 -0.9342 -0.8601 -0.8375 -0.5834 -0.5425 -0.4112 -0.1581 0.2909 0.3555 0.5355 0.5942 0.7365 0.7947 0.8038 0.9518 1.0544 1.0974 1.2009 1.2664 1.3754 1.3759 2.0232 2.0569 3.0720 3.0894 3.2445 3.2717 3.7873 3.7996 4.1562 4.1719 4.7657 5.0232 5.1314 5.2227 6.0156 6.0959 7.0864 7.1285 7.2095 7.2336 8.7985 8.8004 8.9103 8.9408 9.5331 9.6292 10.1709 10.2085 10.4405 10.4602 k = 0.0000 0.0000 0.2330 ( 5800 PWs) bands (ev): -5.3096 -5.3077 -3.4557 -3.4433 -3.3907 -3.3782 -3.2509 -3.2166 -1.1777 -1.0537 -1.0167 -0.9360 -0.8660 -0.8321 -0.5908 -0.5572 -0.4048 -0.1515 0.2874 0.3503 0.5377 0.6019 0.7352 0.7923 0.8112 0.9494 1.0504 1.0905 1.2066 1.2767 1.3829 1.3864 2.0096 2.0433 3.0740 3.0959 3.2757 3.3082 3.8100 3.8181 4.1392 4.1407 4.8225 5.0738 5.1715 5.2700 5.8752 5.9547 7.0294 7.1101 7.1629 7.1730 8.8190 8.8249 8.9779 9.0105 9.6698 9.7591 10.1793 10.2299 10.4716 10.5082 k = 0.0000 0.0000 0.2542 ( 5796 PWs) bands (ev): -5.2867 -5.2847 -3.4818 -3.4686 -3.4075 -3.3939 -3.2554 -3.2195 -1.1643 -1.0410 -1.0219 -0.9363 -0.8718 -0.8255 -0.5978 -0.5714 -0.3972 -0.1470 0.2843 0.3455 0.5398 0.6101 0.7320 0.7925 0.8154 0.9466 1.0475 1.0829 1.2130 1.2869 1.3861 1.3952 1.9930 2.0266 3.0778 3.1045 3.3118 3.3500 3.8356 3.8385 4.1176 4.1264 4.8828 5.1249 5.2122 5.3131 5.7414 5.8195 6.9605 7.0758 7.1041 7.1452 8.8406 8.8502 9.0389 9.0726 9.8062 9.8780 10.1918 10.2622 10.5056 10.5587 k = 0.0000 0.0000 0.2754 ( 5804 PWs) bands (ev): -5.2620 -5.2599 -3.5092 -3.4955 -3.4248 -3.4103 -3.2603 -3.2230 -1.1495 -1.0319 -1.0267 -0.9340 -0.8774 -0.8178 -0.6044 -0.5850 -0.3883 -0.1447 0.2815 0.3412 0.5419 0.6186 0.7277 0.7940 0.8164 0.9433 1.0453 1.0746 1.2197 1.2965 1.3857 1.4015 1.9731 2.0069 3.0828 3.1147 3.3532 3.3969 3.8609 3.8640 4.1050 4.1200 4.9455 5.1716 5.2506 5.3435 5.6213 5.6989 6.8855 7.0047 7.0793 7.1212 8.8636 8.8766 9.0935 9.1275 9.9285 9.9696 10.2198 10.3203 10.5416 10.6080 k = 0.0000 0.0000 0.2965 ( 5820 PWs) bands (ev): -5.2357 -5.2333 -3.5376 -3.5237 -3.4423 -3.4273 -3.2655 -3.2273 -1.1335 -1.0310 -1.0270 -0.9287 -0.8826 -0.8091 -0.6105 -0.5977 -0.3780 -0.1443 0.2789 0.3373 0.5439 0.6275 0.7232 0.7962 0.8149 0.9396 1.0434 1.0657 1.2263 1.3053 1.3818 1.4054 1.9499 1.9844 3.0885 3.1258 3.3997 3.4486 3.8849 3.8949 4.1046 4.1221 5.0096 5.1961 5.2870 5.3384 5.5315 5.6156 6.8083 6.9277 7.0586 7.0985 8.8880 8.9041 9.1422 9.1761 10.0102 10.0215 10.2868 10.4143 10.5785 10.6524 k = 0.0000 0.0000 0.3177 ( 5814 PWs) bands (ev): -5.2076 -5.2051 -3.5669 -3.5531 -3.4599 -3.4447 -3.2711 -3.2324 -1.1166 -1.0346 -1.0260 -0.9208 -0.8872 -0.7997 -0.6159 -0.6096 -0.3661 -0.1459 0.2762 0.3340 0.5458 0.6366 0.7188 0.7986 0.8112 0.9354 1.0414 1.0563 1.2324 1.3128 1.3750 1.4068 1.9235 1.9598 3.0947 3.1372 3.4510 3.5042 3.9104 3.9277 4.1174 4.1341 5.0734 5.1639 5.2738 5.3317 5.4958 5.5942 6.7315 6.8504 7.0379 7.0761 8.9139 8.9329 9.1857 9.2192 10.0402 10.0406 10.4002 10.5350 10.6147 10.6872 k = 0.0000 0.0000 0.3389 ( 5806 PWs) bands (ev): -5.1779 -5.1754 -3.5968 -3.5834 -3.4775 -3.4624 -3.2772 -3.2384 -1.0992 -1.0375 -1.0278 -0.9113 -0.8913 -0.7899 -0.6206 -0.6205 -0.3523 -0.1494 0.2733 0.3310 0.5477 0.6458 0.7148 0.8010 0.8058 0.9309 1.0391 1.0464 1.2372 1.3184 1.3657 1.4059 1.8941 1.9336 3.1013 3.1485 3.5064 3.5625 3.9369 3.9616 4.1441 4.1573 5.0823 5.1249 5.1831 5.3844 5.5068 5.6125 6.6575 6.7747 7.0169 7.0536 8.9411 8.9630 9.2243 9.2575 10.0385 10.0403 10.5325 10.6506 10.6657 10.7074 k = 0.0000 0.0000 0.3601 ( 5810 PWs) bands (ev): -5.1468 -5.1441 -3.6273 -3.6144 -3.4949 -3.4801 -3.2838 -3.2453 -1.0820 -1.0392 -1.0314 -0.9014 -0.8945 -0.7801 -0.6306 -0.6244 -0.3365 -0.1545 0.2700 0.3286 0.5495 0.6549 0.7113 0.7991 0.8033 0.9261 1.0362 1.0363 1.2402 1.3213 1.3549 1.4029 1.8623 1.9068 3.1084 3.1595 3.5649 3.6216 3.9636 3.9952 4.1847 4.1920 4.9845 5.0469 5.2118 5.4396 5.5370 5.6415 6.5888 6.7022 6.9957 7.0309 8.9697 8.9943 9.2586 9.2915 10.0237 10.0243 10.6346 10.7069 10.7104 10.7945 k = 0.0000 0.0000 0.3813 ( 5826 PWs) bands (ev): -5.1141 -5.1114 -3.6581 -3.6460 -3.5120 -3.4976 -3.2911 -3.2531 -1.0664 -1.0387 -1.0360 -0.8967 -0.8917 -0.7710 -0.6398 -0.6272 -0.3183 -0.1610 0.2664 0.3265 0.5512 0.6637 0.7086 0.7914 0.8056 0.9212 1.0262 1.0327 1.2406 1.3209 1.3432 1.3981 1.8290 1.8808 3.1166 3.1703 3.6246 3.6787 3.9894 4.0263 4.2384 4.2386 4.8893 4.9389 5.2729 5.4942 5.5717 5.6689 6.5283 6.6348 6.9746 7.0081 8.9997 9.0267 9.2889 9.3219 9.9978 9.9989 10.6577 10.6857 10.8243 10.9091 k = 0.0000 0.0000 0.4025 ( 5830 PWs) bands (ev): -5.0801 -5.0773 -3.6892 -3.6779 -3.5287 -3.5150 -3.2990 -3.2620 -1.0560 -1.0409 -1.0329 -0.8977 -0.8825 -0.7630 -0.6482 -0.6287 -0.2975 -0.1689 0.2622 0.3248 0.5528 0.6714 0.7073 0.7829 0.8078 0.9162 1.0162 1.0284 1.2377 1.3167 1.3315 1.3913 1.7952 1.8568 3.1263 3.1812 3.6826 3.7290 4.0133 4.0525 4.2962 4.3049 4.8073 4.8414 5.3332 5.5464 5.6047 5.6882 6.4794 6.5750 6.9540 6.9854 9.0308 9.0603 9.3156 9.3490 9.9624 9.9652 10.6463 10.6476 10.9221 10.9651 k = 0.0000 0.0000 0.4236 ( 5826 PWs) bands (ev): -5.0449 -5.0420 -3.7204 -3.7101 -3.5448 -3.5319 -3.3076 -3.2719 -1.0521 -1.0459 -1.0213 -0.8970 -0.8738 -0.7567 -0.6560 -0.6289 -0.2742 -0.1778 0.2574 0.3235 0.5542 0.6770 0.7082 0.7738 0.8100 0.9114 1.0064 1.0234 1.2312 1.3082 1.3202 1.3823 1.7620 1.8362 3.1380 3.1928 3.7338 3.7647 4.0358 4.0715 4.3647 4.3822 4.7469 4.7640 5.3902 5.5928 5.6338 5.6960 6.4452 6.5252 6.9343 6.9631 9.0630 9.0949 9.3388 9.3729 9.9187 9.9226 10.5931 10.6151 10.9524 10.9647 k = 0.0000 0.0000 0.4448 ( 5824 PWs) bands (ev): -5.0085 -5.0056 -3.7517 -3.7423 -3.5602 -3.5482 -3.3170 -3.2828 -1.0506 -1.0506 -1.0086 -0.8944 -0.8657 -0.7525 -0.6632 -0.6277 -0.2482 -0.1874 0.2520 0.3224 0.5554 0.6794 0.7123 0.7643 0.8122 0.9067 0.9970 1.0177 1.2212 1.2953 1.3092 1.3708 1.7309 1.8204 3.1524 3.2057 3.7690 3.7758 4.0605 4.0838 4.4431 4.4690 4.7149 4.7153 5.4419 5.6250 5.6638 5.6913 6.4276 6.4880 6.9157 6.9415 9.0961 9.1303 9.3584 9.3938 9.8664 9.8712 10.5286 10.5647 10.9587 10.9636 k = 0.0000 0.0000 0.4660 ( 5822 PWs) bands (ev): -4.9710 -4.9682 -3.7828 -3.7746 -3.5747 -3.5637 -3.3272 -3.2949 -1.0548 -1.0494 -0.9976 -0.8895 -0.8582 -0.7504 -0.6701 -0.6249 -0.2198 -0.1974 0.2458 0.3216 0.5565 0.6790 0.7192 0.7544 0.8145 0.9023 0.9882 1.0114 1.2087 1.2782 1.2976 1.3568 1.7033 1.8102 3.1696 3.2205 3.7548 3.7748 4.0911 4.0970 4.5301 4.5638 4.7008 4.7140 5.4844 5.6356 5.6776 5.6996 6.4264 6.4652 6.8990 6.9210 9.1299 9.1665 9.3741 9.4114 9.8057 9.8106 10.4547 10.5000 10.9480 10.9711 k = 0.0000 0.0000 0.4872 ( 5814 PWs) bands (ev): -4.9326 -4.9299 -3.8139 -3.8068 -3.5882 -3.5784 -3.3381 -3.3080 -1.0585 -1.0480 -0.9892 -0.8826 -0.8511 -0.7507 -0.6767 -0.6207 -0.2073 -0.1892 0.2390 0.3210 0.5573 0.6771 0.7277 0.7442 0.8168 0.8982 0.9800 1.0046 1.1944 1.2570 1.2845 1.3407 1.6804 1.8060 3.1898 3.2376 3.7041 3.7420 4.1211 4.1269 4.6242 4.6649 4.7192 4.7422 5.5092 5.6304 5.6656 5.7344 6.4391 6.4575 6.8844 6.9020 9.1639 9.2030 9.3854 9.4253 9.7364 9.7411 10.3727 10.4236 10.9344 10.9733 k = 0.0000 0.0000 0.5084 ( 5814 PWs) bands (ev): -4.8934 -4.8908 -3.8447 -3.8388 -3.6005 -3.5919 -3.3500 -3.3223 -1.0614 -1.0461 -0.9834 -0.8739 -0.8445 -0.7533 -0.6831 -0.6152 -0.2165 -0.1569 0.2313 0.3205 0.5579 0.6745 0.7340 0.7369 0.8192 0.8945 0.9724 0.9975 1.1795 1.2321 1.2691 1.3229 1.6634 1.8077 3.2133 3.2574 3.6318 3.6754 4.1559 4.1643 4.7228 4.7626 4.7726 4.7947 5.5058 5.6149 5.6696 5.7643 6.4624 6.4638 6.8724 6.8851 9.1974 9.2397 9.3914 9.4346 9.6589 9.6635 10.2842 10.3380 10.9195 10.9696 k = 0.0000 0.0000 0.5296 ( 5810 PWs) bands (ev): -4.8536 -4.8511 -3.8754 -3.8707 -3.6116 -3.6043 -3.3627 -3.3375 -1.0635 -1.0438 -0.9797 -0.8643 -0.8382 -0.7582 -0.6893 -0.6089 -0.2244 -0.1233 0.2227 0.3201 0.5583 0.6716 0.7236 0.7463 0.8214 0.8912 0.9656 0.9904 1.1646 1.2041 1.2508 1.3043 1.6530 1.8149 3.2400 3.2801 3.5463 3.5871 4.1948 4.1999 4.8198 4.8281 4.8697 4.8812 5.4789 5.5939 5.6892 5.7881 6.4816 6.4927 6.8634 6.8706 9.2288 9.2757 9.3904 9.4376 9.5741 9.5799 10.1913 10.2462 10.9050 10.9606 k = 0.0000 0.0000 0.5507 ( 5814 PWs) bands (ev): -4.8131 -4.8109 -3.9058 -3.9022 -3.6213 -3.6154 -3.3762 -3.3538 -1.0647 -1.0411 -0.9776 -0.8544 -0.8324 -0.7651 -0.6952 -0.6026 -0.2302 -0.0888 0.2133 0.3196 0.5585 0.6688 0.7132 0.7558 0.8235 0.8884 0.9596 0.9836 1.1501 1.1739 1.2301 1.2853 1.6496 1.8271 3.2694 3.3050 3.4539 3.4871 4.2312 4.2320 4.9058 4.9063 4.9680 4.9921 5.4443 5.5731 5.7137 5.8050 6.5080 6.5272 6.8575 6.8590 9.2536 9.3090 9.3802 9.4310 9.4844 9.4966 10.0974 10.1522 10.8919 10.9480 k = 0.0000 0.0000 0.5719 ( 5802 PWs) bands (ev): -4.7723 -4.7704 -3.9360 -3.9336 -3.6295 -3.6249 -3.3905 -3.3710 -1.0649 -1.0381 -0.9767 -0.8446 -0.8273 -0.7738 -0.7009 -0.5970 -0.2331 -0.0540 0.2029 0.3191 0.5587 0.6663 0.7028 0.7651 0.8254 0.8860 0.9543 0.9772 1.1364 1.1427 1.2073 1.2664 1.6531 1.8436 3.2988 3.3221 3.3688 3.3838 4.2567 4.2638 4.9845 4.9902 5.0800 5.1016 5.4148 5.5587 5.7374 5.8152 6.5405 6.5639 6.8506 6.8548 9.2547 9.3235 9.3581 9.4060 9.4081 9.4347 10.0073 10.0614 10.8809 10.9341 k = 0.0000 0.0000 0.5931 ( 5802 PWs) bands (ev): -4.7313 -4.7297 -3.9660 -3.9647 -3.6361 -3.6329 -3.4057 -3.3890 -1.0640 -1.0347 -0.9765 -0.8349 -0.8233 -0.7835 -0.7063 -0.5932 -0.2323 -0.0195 0.1914 0.3184 0.5587 0.6643 0.6924 0.7740 0.8268 0.8841 0.9496 0.9717 1.1118 1.1236 1.1834 1.2475 1.6631 1.8641 3.2493 3.2600 3.3488 3.3755 4.2747 4.2875 5.0545 5.0725 5.1975 5.2054 5.4034 5.5574 5.7587 5.8191 6.5766 6.6011 6.8453 6.8548 9.2006 9.2580 9.3161 9.3847 9.4052 9.4065 9.9270 9.9796 10.8721 10.9203 k = 0.0000 0.0000 0.6143 ( 5802 PWs) bands (ev): -4.6902 -4.6890 -3.9959 -3.9955 -3.6410 -3.6391 -3.4215 -3.4077 -1.0620 -1.0311 -0.9769 -0.8255 -0.8223 -0.7921 -0.7114 -0.5921 -0.2272 0.0144 0.1789 0.3173 0.5589 0.6630 0.6820 0.7821 0.8277 0.8827 0.9452 0.9673 1.0826 1.1117 1.1592 1.2289 1.6795 1.8882 3.1524 3.1525 3.3847 3.4101 4.2840 4.3009 5.1123 5.1371 5.3002 5.3173 5.4263 5.5746 5.7793 5.8185 6.6145 6.6377 6.8431 6.8574 9.1069 9.1555 9.2558 9.3325 9.4217 9.4354 9.8623 9.9120 10.8656 10.9078 k = 0.0000 0.0000 0.6355 ( 5802 PWs) bands (ev): -4.6491 -4.6484 -4.0262 -4.0256 -3.6440 -3.6435 -3.4380 -3.4271 -1.0588 -1.0273 -0.9777 -0.8279 -0.8161 -0.7958 -0.7163 -0.5941 -0.2175 0.0472 0.1653 0.3157 0.5593 0.6625 0.6717 0.7890 0.8281 0.8820 0.9407 0.9640 1.0567 1.1004 1.1356 1.2106 1.7021 1.9158 3.0422 3.0554 3.4268 3.4494 4.2835 4.3027 5.1559 5.1722 5.3935 5.4373 5.4817 5.6100 5.8038 5.8171 6.6530 6.6729 6.8436 6.8617 9.0008 9.0470 9.1758 9.2558 9.4498 9.4684 9.8156 9.8605 10.8612 10.8971 k = 0.0000 0.0000 0.6566 ( 5792 PWs) bands (ev): -4.6083 -4.6081 -4.0568 -4.0553 -3.6461 -3.6453 -3.4549 -3.4468 -1.0543 -1.0235 -0.9787 -0.8400 -0.8066 -0.7943 -0.7210 -0.5995 -0.2035 0.0785 0.1504 0.3135 0.5601 0.6615 0.6631 0.7937 0.8285 0.8821 0.9351 0.9617 1.0359 1.0895 1.1135 1.1925 1.7306 1.9466 2.9327 2.9602 3.4722 3.4921 4.2726 4.2921 5.1885 5.1891 5.4922 5.5413 5.5542 5.6527 5.8243 5.8403 6.6907 6.7061 6.8463 6.8671 8.8921 8.9376 9.0798 9.1609 9.4807 9.5012 9.7845 9.8237 10.8590 10.8886 k = 0.0000 0.0000 0.6778 ( 5788 PWs) bands (ev): -4.5682 -4.5679 -4.0874 -4.0851 -3.6466 -3.6446 -3.4723 -3.4667 -1.0487 -1.0196 -0.9800 -0.8554 -0.7967 -0.7906 -0.7255 -0.6078 -0.1856 0.1079 0.1343 0.3105 0.5613 0.6514 0.6649 0.7948 0.8298 0.8831 0.9276 0.9602 1.0219 1.0781 1.0944 1.1748 1.7650 1.9809 2.8252 2.8676 3.5206 3.5380 4.2515 4.2696 5.2035 5.2157 5.5635 5.6124 5.6482 5.6977 5.8568 5.8951 6.7270 6.7368 6.8504 6.8731 8.7859 8.8303 8.9734 9.0543 9.5118 9.5327 9.7643 9.7980 10.8589 10.8823 k = 0.0000 0.0000 0.6990 ( 5788 PWs) bands (ev): -4.5289 -4.5280 -4.1180 -4.1151 -3.6451 -3.6420 -3.4898 -3.4867 -1.0417 -1.0157 -0.9816 -0.8721 -0.7862 -0.7861 -0.7300 -0.6188 -0.1646 0.1169 0.1354 0.3065 0.5632 0.6415 0.6681 0.7911 0.8329 0.8852 0.9181 0.9589 1.0152 1.0650 1.0801 1.1574 1.8054 2.0186 2.7204 2.7782 3.5715 3.5867 4.2210 4.2364 5.2221 5.2426 5.5785 5.6590 5.7160 5.7935 5.9175 5.9644 6.7609 6.7646 6.8551 6.8788 8.6860 8.7277 8.8629 8.9425 9.5420 9.5627 9.7504 9.7794 10.8607 10.8784 k = 0.0000 0.0000 0.7202 ( 5788 PWs) bands (ev): -4.4903 -4.4888 -4.1489 -4.1454 -3.6415 -3.6375 -3.5074 -3.5064 -1.0334 -1.0119 -0.9833 -0.8895 -0.7813 -0.7751 -0.7345 -0.6317 -0.1413 0.0983 0.1607 0.3014 0.5658 0.6318 0.6726 0.7831 0.8375 0.8884 0.9078 0.9569 1.0149 1.0518 1.0698 1.1403 1.8517 2.0598 2.6186 2.6924 3.6248 3.6380 4.1824 4.1943 5.2464 5.2716 5.5718 5.6394 5.8205 5.8953 5.9901 6.0374 6.7893 6.7919 6.8598 6.8839 8.5963 8.6331 8.7541 8.8309 9.5707 9.5909 9.7398 9.7649 10.8646 10.8769 k = 0.0000 0.0000 0.7414 ( 5796 PWs) bands (ev): -4.4525 -4.4504 -4.1800 -4.1762 -3.6358 -3.6310 -3.5257 -3.5248 -1.0238 -1.0083 -0.9853 -0.9071 -0.7764 -0.7632 -0.7389 -0.6459 -0.1165 0.0783 0.1837 0.2951 0.5691 0.6225 0.6787 0.7719 0.8429 0.8928 0.8979 0.9534 1.0194 1.0413 1.0614 1.1236 1.9040 2.1047 2.5204 2.6104 3.6802 3.6915 4.1371 4.1455 5.2759 5.3037 5.5529 5.6097 5.9195 5.9883 6.0615 6.1038 6.8107 6.8193 6.8636 6.8879 8.5209 8.5500 8.6522 8.7243 9.5976 9.6169 9.7302 9.7525 10.8705 10.8776 k = 0.0000 0.0000 0.7626 ( 5780 PWs) bands (ev): -4.4155 -4.4128 -4.2116 -4.2075 -3.6281 -3.6228 -3.5443 -3.5417 -1.0129 -1.0047 -0.9875 -0.9245 -0.7715 -0.7504 -0.7434 -0.6611 -0.0908 0.0571 0.2045 0.2873 0.5732 0.6137 0.6863 0.7588 0.8486 0.8888 0.8985 0.9478 1.0271 1.0349 1.0540 1.1074 1.9621 2.1534 2.4262 2.5325 3.7374 3.7468 4.0869 4.0918 5.3095 5.3389 5.5262 5.5748 6.0092 6.0684 6.1233 6.1562 6.8286 6.8426 6.8662 6.8905 8.4641 8.4823 8.5623 8.6273 9.6222 9.6409 9.7204 9.7406 10.8784 10.8805 k = 0.0000 0.0000 0.7837 ( 5772 PWs) bands (ev): -4.3794 -4.3762 -4.2436 -4.2395 -3.6184 -3.6127 -3.5619 -3.5581 -1.0014 -1.0008 -0.9899 -0.9414 -0.7667 -0.7479 -0.7369 -0.6766 -0.0648 0.0346 0.2231 0.2780 0.5782 0.6053 0.6954 0.7449 0.8546 0.8808 0.9054 0.9402 1.0326 1.0373 1.0474 1.0917 2.0261 2.2061 2.3363 2.4587 3.7960 3.8036 4.0330 4.0348 5.3458 5.3765 5.4943 5.5367 6.0857 6.1320 6.1692 6.1890 6.8429 6.8613 6.8669 6.8912 8.4297 8.4343 8.4893 8.5442 9.6445 9.6625 9.7094 9.7281 10.8855 10.8881 k = 0.0000 0.0000 0.8049 ( 5774 PWs) bands (ev): -4.3442 -4.3406 -4.2764 -4.2723 -3.6068 -3.6011 -3.5783 -3.5736 -0.9982 -0.9924 -0.9875 -0.9576 -0.7619 -0.7525 -0.7226 -0.6922 -0.0389 0.0110 0.2397 0.2670 0.5839 0.5975 0.7060 0.7311 0.8606 0.8736 0.9134 0.9313 1.0336 1.0415 1.0492 1.0767 2.0957 2.2511 2.2629 2.3891 3.8556 3.8612 3.9757 3.9767 5.3836 5.4160 5.4591 5.4969 6.1451 6.1758 6.1948 6.1986 6.8537 6.8654 6.8752 6.8895 8.4095 8.4204 8.4375 8.4796 9.6643 9.6819 9.6966 9.7145 10.8924 10.8994 k = 0.0000 0.0000 0.8261 ( 5772 PWs) bands (ev): -4.3099 -4.3099 -4.3060 -4.3060 -3.5934 -3.5934 -3.5880 -3.5880 -0.9952 -0.9952 -0.9731 -0.9731 -0.7572 -0.7572 -0.7076 -0.7076 -0.0136 -0.0136 0.2543 0.2543 0.5904 0.5904 0.7180 0.7180 0.8669 0.8669 0.9222 0.9222 1.0368 1.0368 1.0624 1.0624 2.1708 2.1708 2.3239 2.3239 3.9157 3.9157 3.9192 3.9192 5.4218 5.4218 5.4564 5.4564 6.1836 6.1836 6.1972 6.1972 6.8612 6.8612 6.8844 6.8844 8.4104 8.4104 8.4374 8.4374 9.6816 9.6816 9.6992 9.6992 10.9012 10.9012 k = 0.0000 0.0000 0.8261 ( 5772 PWs) bands (ev): -4.3099 -4.3099 -4.3060 -4.3060 -3.5934 -3.5934 -3.5880 -3.5880 -0.9952 -0.9952 -0.9731 -0.9731 -0.7572 -0.7572 -0.7076 -0.7076 -0.0136 -0.0136 0.2543 0.2543 0.5904 0.5904 0.7180 0.7180 0.8669 0.8669 0.9222 0.9222 1.0368 1.0368 1.0624 1.0624 2.1708 2.1708 2.3239 2.3239 3.9157 3.9157 3.9192 3.9192 5.4218 5.4218 5.4564 5.4564 6.1836 6.1836 6.1972 6.1972 6.8612 6.8612 6.8844 6.8844 8.4104 8.4104 8.4374 8.4374 9.6816 9.6816 9.6992 9.6992 10.9012 10.9012 k =-0.0120 0.0158 0.8261 ( 5768 PWs) bands (ev): -4.3098 -4.3098 -4.3059 -4.3059 -3.5937 -3.5937 -3.5882 -3.5882 -0.9960 -0.9960 -0.9724 -0.9724 -0.7612 -0.7612 -0.7056 -0.7056 -0.0138 -0.0138 0.2562 0.2562 0.5898 0.5898 0.7188 0.7188 0.8634 0.8634 0.9277 0.9277 1.0369 1.0369 1.0659 1.0659 2.1704 2.1704 2.3234 2.3234 3.9153 3.9153 3.9200 3.9200 5.4184 5.4184 5.4533 5.4533 6.1827 6.1827 6.1967 6.1967 6.8557 6.8557 6.8813 6.8813 8.4129 8.4129 8.4414 8.4414 9.6854 9.6854 9.7099 9.7099 10.8961 10.8961 k =-0.0241 0.0317 0.8261 ( 5778 PWs) bands (ev): -4.3097 -4.3097 -4.3057 -4.3057 -3.5946 -3.5946 -3.5890 -3.5890 -0.9980 -0.9980 -0.9708 -0.9708 -0.7716 -0.7716 -0.7014 -0.7014 -0.0144 -0.0144 0.2618 0.2618 0.5883 0.5883 0.7206 0.7206 0.8566 0.8566 0.9402 0.9402 1.0391 1.0391 1.0751 1.0751 2.1692 2.1692 2.3222 2.3222 3.9145 3.9145 3.9217 3.9217 5.4082 5.4082 5.4439 5.4439 6.1801 6.1801 6.1953 6.1953 6.8401 6.8401 6.8715 6.8715 8.4207 8.4207 8.4530 8.4530 9.7001 9.7001 9.7375 9.7375 10.8838 10.8838 k =-0.0361 0.0475 0.8261 ( 5778 PWs) bands (ev): -4.3094 -4.3094 -4.3055 -4.3055 -3.5961 -3.5961 -3.5902 -3.5902 -1.0009 -1.0009 -0.9686 -0.9686 -0.7856 -0.7856 -0.6975 -0.6975 -0.0150 -0.0150 0.2704 0.2704 0.5862 0.5862 0.7225 0.7225 0.8510 0.8510 0.9534 0.9534 1.0469 1.0469 1.0888 1.0888 2.1673 2.1673 2.3200 2.3200 3.9139 3.9139 3.9239 3.9239 5.3913 5.3913 5.4287 5.4287 6.1758 6.1758 6.1929 6.1929 6.8164 6.8164 6.8545 6.8545 8.4340 8.4340 8.4715 8.4715 9.7280 9.7280 9.7781 9.7781 10.8660 10.8660 k =-0.0482 0.0634 0.8261 ( 5778 PWs) bands (ev): -4.3092 -4.3092 -4.3052 -4.3052 -3.5980 -3.5980 -3.5919 -3.5919 -1.0044 -1.0044 -0.9661 -0.9661 -0.8014 -0.8014 -0.6952 -0.6952 -0.0152 -0.0152 0.2811 0.2811 0.5840 0.5840 0.7232 0.7232 0.8490 0.8490 0.9629 0.9629 1.0633 1.0633 1.1066 1.1066 2.1647 2.1647 2.3170 2.3170 3.9136 3.9136 3.9265 3.9265 5.3679 5.3679 5.4080 5.4080 6.1701 6.1701 6.1893 6.1893 6.7860 6.7860 6.8305 6.8305 8.4532 8.4532 8.4962 8.4962 9.7684 9.7684 9.8290 9.8290 10.8429 10.8429 k =-0.0602 0.0792 0.8261 ( 5772 PWs) bands (ev): -4.3089 -4.3089 -4.3050 -4.3050 -3.6002 -3.6002 -3.5939 -3.5939 -1.0084 -1.0084 -0.9636 -0.9636 -0.8181 -0.8181 -0.6951 -0.6951 -0.0147 -0.0147 0.2928 0.2928 0.5822 0.5822 0.7221 0.7221 0.8512 0.8512 0.9679 0.9679 1.0888 1.0888 1.1287 1.1287 2.1614 2.1614 2.3132 2.3132 3.9135 3.9135 3.9293 3.9293 5.3383 5.3383 5.3823 5.3823 6.1631 6.1631 6.1846 6.1846 6.7504 6.7504 6.8004 6.8004 8.4781 8.4781 8.5264 8.5264 9.8197 9.8197 9.8875 9.8875 10.8143 10.8143 k =-0.0723 0.0950 0.8261 ( 5766 PWs) bands (ev): -4.3088 -4.3088 -4.3048 -4.3048 -3.6026 -3.6026 -3.5961 -3.5961 -1.0127 -1.0127 -0.9613 -0.9613 -0.8349 -0.8348 -0.6973 -0.6973 -0.0133 -0.0133 0.3045 0.3045 0.5813 0.5813 0.7190 0.7190 0.8569 0.8569 0.9695 0.9695 1.1213 1.1213 1.1558 1.1558 2.1574 2.1574 2.3086 2.3086 3.9138 3.9138 3.9324 3.9324 5.3031 5.3031 5.3522 5.3522 6.1550 6.1550 6.1788 6.1788 6.7108 6.7108 6.7652 6.7652 8.5085 8.5085 8.5617 8.5617 9.8796 9.8796 9.9507 9.9507 10.7802 10.7802 k =-0.0843 0.1109 0.8261 ( 5766 PWs) bands (ev): -4.3089 -4.3089 -4.3049 -4.3049 -3.6049 -3.6049 -3.5984 -3.5984 -1.0173 -1.0173 -0.9594 -0.9593 -0.8511 -0.8511 -0.7015 -0.7015 -0.0110 -0.0110 0.3155 0.3155 0.5815 0.5815 0.7145 0.7145 0.8652 0.8652 0.9694 0.9694 1.1584 1.1584 1.1886 1.1886 2.1530 2.1530 2.3031 2.3031 3.9144 3.9144 3.9356 3.9356 5.2630 5.2630 5.3183 5.3183 6.1457 6.1457 6.1719 6.1719 6.6683 6.6683 6.7263 6.7263 8.5440 8.5440 8.6014 8.6014 9.9452 9.9452 10.0154 10.0154 10.7409 10.7409 k =-0.0964 0.1267 0.8261 ( 5784 PWs) bands (ev): -4.3094 -4.3094 -4.3054 -4.3054 -3.6070 -3.6070 -3.6006 -3.6006 -1.0222 -1.0222 -0.9582 -0.9582 -0.8663 -0.8663 -0.7075 -0.7075 -0.0079 -0.0079 0.3249 0.3249 0.5829 0.5829 0.7094 0.7094 0.8747 0.8747 0.9684 0.9684 1.1980 1.1980 1.2282 1.2282 2.1481 2.1481 2.2970 2.2970 3.9152 3.9152 3.9389 3.9389 5.2189 5.2189 5.2811 5.2811 6.1356 6.1356 6.1640 6.1640 6.6239 6.6239 6.6850 6.6850 8.5843 8.5843 8.6451 8.6451 10.0131 10.0131 10.0781 10.0781 10.6966 10.6966 k =-0.1084 0.1426 0.8261 ( 5786 PWs) bands (ev): -4.3102 -4.3102 -4.3062 -4.3062 -3.6086 -3.6086 -3.6026 -3.6026 -1.0274 -1.0274 -0.9582 -0.9582 -0.8796 -0.8796 -0.7147 -0.7147 -0.0043 -0.0043 0.3324 0.3324 0.5855 0.5855 0.7043 0.7043 0.8847 0.8847 0.9672 0.9672 1.2391 1.2391 1.2742 1.2742 2.1432 2.1432 2.2904 2.2904 3.9162 3.9162 3.9423 3.9423 5.1717 5.1717 5.2412 5.2412 6.1246 6.1246 6.1551 6.1551 6.5783 6.5783 6.6425 6.6425 8.6288 8.6288 8.6921 8.6921 10.0794 10.0794 10.1352 10.1352 10.6482 10.6482 k =-0.1204 0.1584 0.8261 ( 5790 PWs) bands (ev): -4.3117 -4.3117 -4.3077 -4.3077 -3.6097 -3.6097 -3.6040 -3.6040 -1.0330 -1.0330 -0.9600 -0.9600 -0.8902 -0.8902 -0.7229 -0.7229 -0.0004 -0.0004 0.3377 0.3377 0.5892 0.5892 0.6996 0.6996 0.8943 0.8943 0.9659 0.9659 1.2818 1.2818 1.3254 1.3254 2.1384 2.1384 2.2834 2.2834 3.9174 3.9174 3.9456 3.9456 5.1223 5.1223 5.1994 5.1994 6.1129 6.1129 6.1453 6.1453 6.5322 6.5322 6.5999 6.5999 8.6770 8.6770 8.7419 8.7419 10.1401 10.1401 10.1832 10.1832 10.5967 10.5967 k =-0.1325 0.1742 0.8261 ( 5778 PWs) bands (ev): -4.3139 -4.3139 -4.3098 -4.3098 -3.6100 -3.6100 -3.6047 -3.6047 -1.0388 -1.0388 -0.9640 -0.9640 -0.8976 -0.8976 -0.7315 -0.7314 0.0036 0.0036 0.3407 0.3407 0.5935 0.5936 0.6959 0.6959 0.9032 0.9032 0.9648 0.9648 1.3259 1.3259 1.3801 1.3801 2.1343 2.1343 2.2765 2.2765 3.9186 3.9186 3.9488 3.9488 5.0719 5.0719 5.1563 5.1563 6.1006 6.1006 6.1346 6.1346 6.4859 6.4859 6.5580 6.5580 8.7282 8.7282 8.7939 8.7939 10.1900 10.1900 10.2192 10.2192 10.5433 10.5433 k =-0.1445 0.1901 0.8261 ( 5782 PWs) bands (ev): -4.3169 -4.3169 -4.3127 -4.3127 -3.6093 -3.6093 -3.6045 -3.6045 -1.0450 -1.0450 -0.9702 -0.9702 -0.9017 -0.9017 -0.7401 -0.7401 0.0073 0.0073 0.3415 0.3415 0.5981 0.5981 0.6934 0.6934 0.9113 0.9113 0.9641 0.9641 1.3708 1.3708 1.4371 1.4371 2.1315 2.1315 2.2700 2.2700 3.9199 3.9199 3.9518 3.9518 5.0214 5.0214 5.1128 5.1128 6.0876 6.0876 6.1232 6.1232 6.4402 6.4402 6.5174 6.5174 8.7819 8.7819 8.8475 8.8475 10.2218 10.2218 10.2434 10.2434 10.4899 10.4899 k =-0.1445 0.1901 0.8261 ( 5782 PWs) bands (ev): -4.3169 -4.3169 -4.3127 -4.3127 -3.6093 -3.6093 -3.6045 -3.6045 -1.0450 -1.0450 -0.9702 -0.9702 -0.9017 -0.9017 -0.7401 -0.7401 0.0073 0.0073 0.3415 0.3415 0.5981 0.5981 0.6934 0.6934 0.9113 0.9113 0.9641 0.9641 1.3708 1.3708 1.4371 1.4371 2.1315 2.1315 2.2700 2.2700 3.9199 3.9199 3.9518 3.9518 5.0214 5.0214 5.1128 5.1128 6.0876 6.0876 6.1232 6.1232 6.4402 6.4402 6.5174 6.5174 8.7819 8.7819 8.8475 8.8475 10.2218 10.2218 10.2434 10.2434 10.4899 10.4899 k =-0.1534 0.2018 0.8114 ( 5788 PWs) bands (ev): -4.3361 -4.3322 -4.3032 -4.2993 -3.6220 -3.6188 -3.5917 -3.5903 -1.0545 -1.0454 -0.9787 -0.9735 -0.9065 -0.8982 -0.7500 -0.7422 0.0011 0.0182 0.3359 0.3451 0.5990 0.6040 0.6914 0.6941 0.9138 0.9185 0.9602 0.9682 1.3915 1.4116 1.4749 1.4883 2.0957 2.1696 2.2341 2.3010 3.8895 3.9101 3.9666 3.9818 4.9634 5.0052 5.0632 5.0980 6.0520 6.0796 6.0919 6.1220 6.4018 6.4213 6.4754 6.5176 8.8170 8.8339 8.8799 8.9020 10.2244 10.2271 10.2514 10.2551 10.4365 10.4616 k =-0.1623 0.2135 0.7967 ( 5788 PWs) bands (ev): -4.3548 -4.3508 -4.2919 -4.2879 -3.6351 -3.6316 -3.5743 -3.5725 -1.0646 -1.0456 -0.9893 -0.9764 -0.9109 -0.8916 -0.7587 -0.7439 -0.0053 0.0276 0.3291 0.3467 0.5989 0.6105 0.6907 0.6959 0.9152 0.9239 0.9582 0.9726 1.4038 1.4485 1.5168 1.5438 2.0718 2.1966 2.2165 2.3320 3.8564 3.8816 3.9985 4.0129 4.9077 4.9861 5.0167 5.0812 5.9972 6.0297 6.0650 6.0977 6.3786 6.4074 6.4574 6.5318 8.8585 8.8909 8.9197 8.9609 10.1960 10.2130 10.2432 10.2577 10.4080 10.4378 k =-0.1712 0.2251 0.7821 ( 5786 PWs) bands (ev): -4.3728 -4.3687 -4.2827 -4.2785 -3.6479 -3.6441 -3.5562 -3.5522 -1.0751 -1.0456 -1.0009 -0.9791 -0.9147 -0.8836 -0.7661 -0.7448 -0.0118 0.0356 0.3216 0.3466 0.5979 0.6173 0.6912 0.6988 0.9155 0.9270 0.9583 0.9776 1.4066 1.4778 1.5646 1.6023 2.0615 2.1816 2.2493 2.3629 3.8242 3.8533 4.0278 4.0409 4.8551 4.9569 4.9812 5.0621 5.9289 5.9623 6.0222 6.0514 6.3702 6.3999 6.4621 6.5556 8.9048 8.9508 8.9659 9.0223 10.1383 10.1619 10.2288 10.2577 10.4127 10.4268 k =-0.1801 0.2368 0.7674 ( 5783 PWs) bands (ev): -4.3899 -4.3859 -4.2754 -4.2710 -3.6603 -3.6563 -3.5369 -3.5303 -1.0858 -1.0453 -1.0127 -0.9818 -0.9181 -0.8754 -0.7720 -0.7442 -0.0185 0.0423 0.3134 0.3449 0.5962 0.6240 0.6926 0.7029 0.9148 0.9280 0.9601 0.9833 1.3998 1.4977 1.6181 1.6631 2.0653 2.1720 2.2865 2.3935 3.7935 3.8265 4.0526 4.0649 4.8064 4.9165 4.9584 5.0402 5.8515 5.8860 5.9644 5.9909 6.3705 6.4030 6.4783 6.5854 8.9549 9.0103 9.0187 9.0841 10.0627 10.0901 10.2159 10.2519 10.4174 10.4337 k =-0.1890 0.2485 0.7527 ( 5783 PWs) bands (ev): -4.4063 -4.4022 -4.2699 -4.2652 -3.6723 -3.6681 -3.5167 -3.5073 -1.0964 -1.0448 -1.0242 -0.9846 -0.9210 -0.8679 -0.7765 -0.7416 -0.0254 0.0475 0.3048 0.3418 0.5938 0.6303 0.6947 0.7080 0.9133 0.9278 0.9626 0.9900 1.3842 1.5082 1.6760 1.7256 2.0822 2.1732 2.3232 2.4237 3.7648 3.8015 4.0717 4.0842 4.7620 4.8758 4.9377 5.0155 5.7690 5.8044 5.8981 5.9238 6.3754 6.4130 6.5005 6.6188 9.0076 9.0660 9.0781 9.1442 9.9794 10.0127 10.2004 10.2405 10.4092 10.4431 k =-0.1978 0.2602 0.7380 ( 5789 PWs) bands (ev): -4.4218 -4.4176 -4.2660 -4.2609 -3.6838 -3.6795 -3.4959 -3.4836 -1.1068 -1.0440 -1.0352 -0.9877 -0.9235 -0.8619 -0.7799 -0.7360 -0.0326 0.0513 0.2961 0.3375 0.5910 0.6364 0.6970 0.7141 0.9111 0.9271 0.9649 0.9975 1.3617 1.5097 1.7369 1.7894 2.1102 2.1855 2.3590 2.4534 3.7382 3.7786 4.0844 4.0985 4.7218 4.8373 4.9166 4.9876 5.6844 5.7203 5.8285 5.8551 6.3826 6.4258 6.5262 6.6544 9.0618 9.1210 9.1376 9.2002 9.8952 9.9346 10.1818 10.2240 10.4040 10.4487 k =-0.2067 0.2719 0.7233 ( 5789 PWs) bands (ev): -4.4364 -4.4321 -4.2633 -4.2578 -3.6947 -3.6903 -3.4749 -3.4596 -1.1169 -1.0460 -1.0425 -0.9910 -0.9256 -0.8578 -0.7827 -0.7268 -0.0400 0.0535 0.2874 0.3321 0.5879 0.6421 0.6995 0.7210 0.9086 0.9261 0.9668 1.0057 1.3346 1.5034 1.8000 1.8539 2.1466 2.2082 2.3936 2.4824 3.7140 3.7581 4.0903 4.1075 4.6851 4.8009 4.8944 4.9565 5.6001 5.6362 5.7593 5.7880 6.3906 6.4390 6.5541 6.6912 9.1157 9.1754 9.1933 9.2493 9.8147 9.8592 10.1606 10.2034 10.4046 10.4614 k =-0.2156 0.2836 0.7086 ( 5785 PWs) bands (ev): -4.4500 -4.4457 -4.2617 -4.2557 -3.7051 -3.7005 -3.4540 -3.4356 -1.1266 -1.0553 -1.0415 -0.9945 -0.9271 -0.8552 -0.7851 -0.7142 -0.0475 0.0541 0.2788 0.3257 0.5845 0.6475 0.7019 0.7285 0.9059 0.9251 0.9682 1.0145 1.3049 1.4908 1.8644 1.9187 2.1887 2.2397 2.4269 2.5106 3.6925 3.7400 4.0897 4.1115 4.6502 4.7659 4.8707 4.9223 5.5185 5.5545 5.6930 5.7244 6.3985 6.4514 6.5834 6.7284 9.1666 9.2271 9.2428 9.2888 9.7425 9.7903 10.1374 10.1799 10.4123 10.4818 k =-0.2245 0.2953 0.6940 ( 5786 PWs) bands (ev): -4.4627 -4.4584 -4.2609 -4.2545 -3.7148 -3.7101 -3.4336 -3.4120 -1.1359 -1.0641 -1.0401 -0.9982 -0.9283 -0.8538 -0.7874 -0.6984 -0.0553 0.0530 0.2705 0.3185 0.5811 0.6528 0.7041 0.7362 0.9030 0.9241 0.9691 1.0236 1.2746 1.4735 1.9296 1.9831 2.2341 2.2782 2.4585 2.5381 3.6739 3.7246 4.0836 4.1110 4.6150 4.7306 4.8444 4.8860 5.4416 5.4779 5.6316 5.6658 6.4058 6.4627 6.6135 6.7655 9.2082 9.2700 9.2854 9.3191 9.6843 9.7330 10.1132 10.1545 10.4277 10.5096 k =-0.2334 0.3070 0.6793 ( 5789 PWs) bands (ev): -4.4744 -4.4700 -4.2608 -4.2540 -3.7238 -3.7190 -3.4138 -3.3893 -1.1445 -1.0720 -1.0387 -1.0019 -0.9290 -0.8532 -0.7898 -0.6802 -0.0631 0.0501 0.2628 0.3108 0.5776 0.6579 0.7061 0.7442 0.9001 0.9232 0.9696 1.0331 1.2448 1.4530 1.9947 2.0465 2.2806 2.3218 2.4882 2.5647 3.6586 3.7120 4.0735 4.1071 4.5774 4.6932 4.8130 4.8495 5.3713 5.4093 5.5763 5.6128 6.4122 6.4725 6.6440 6.8021 9.2276 9.2870 9.3263 9.3531 9.6455 9.6927 10.0889 10.1285 10.4511 10.5432 k =-0.2423 0.3187 0.6646 ( 5792 PWs) bands (ev): -4.4850 -4.4806 -4.2612 -4.2540 -3.7321 -3.7272 -3.3951 -3.3676 -1.1526 -1.0792 -1.0372 -1.0056 -0.9294 -0.8529 -0.7921 -0.6602 -0.0709 0.0452 0.2557 0.3028 0.5742 0.6629 0.7076 0.7522 0.8972 0.9223 0.9698 1.0427 1.2166 1.4308 2.0592 2.1083 2.3266 2.3681 2.5160 2.5906 3.6467 3.7025 4.0609 4.1010 4.5358 4.6515 4.7745 4.8144 5.3094 5.3513 5.5280 5.5659 6.4177 6.4809 6.6743 6.8376 9.2163 9.2728 9.3705 9.3946 9.6279 9.6712 10.0654 10.1027 10.4824 10.5784 k =-0.2512 0.3303 0.6499 ( 5788 PWs) bands (ev): -4.4946 -4.4902 -4.2619 -4.2543 -3.7396 -3.7347 -3.3776 -3.3473 -1.1599 -1.0855 -1.0357 -1.0092 -0.9294 -0.8526 -0.7944 -0.6390 -0.0786 0.0384 0.2496 0.2947 0.5710 0.6677 0.7088 0.7601 0.8943 0.9215 0.9697 1.0523 1.1908 1.4077 2.1221 2.1676 2.3707 2.4150 2.5415 2.6159 3.6385 3.6961 4.0476 4.0939 4.4895 4.6045 4.7302 4.7791 5.2575 5.3051 5.4870 5.5252 6.4222 6.4878 6.7041 6.8715 9.1820 9.2384 9.4157 9.4360 9.6267 9.6645 10.0432 10.0778 10.5211 10.6127 k =-0.2601 0.3420 0.6352 ( 5792 PWs) bands (ev): -4.5031 -4.4987 -4.2628 -4.2549 -3.7463 -3.7414 -3.3617 -3.3287 -1.1665 -1.0911 -1.0344 -1.0126 -0.9292 -0.8524 -0.7966 -0.6173 -0.0861 0.0298 0.2444 0.2867 0.5680 0.6724 0.7095 0.7678 0.8914 0.9208 0.9695 1.0615 1.1682 1.3847 2.1827 2.2236 2.4118 2.4599 2.5647 2.6407 3.6343 3.6931 4.0348 4.0871 4.4393 4.5519 4.6831 4.7414 5.2167 5.2705 5.4531 5.4905 6.4257 6.4935 6.7328 6.9034 9.1369 9.1929 9.4590 9.4747 9.6342 9.6659 10.0231 10.0544 10.5662 10.6483 k =-0.2689 0.3537 0.6205 ( 5791 PWs) bands (ev): -4.5105 -4.5060 -4.2638 -4.2557 -3.7522 -3.7472 -3.3475 -3.3121 -1.1723 -1.0958 -1.0332 -1.0156 -0.9287 -0.8521 -0.7986 -0.5957 -0.0934 0.0199 0.2405 0.2791 0.5652 0.6768 0.7097 0.7752 0.8886 0.9203 0.9691 1.0698 1.1495 1.3625 2.2398 2.2754 2.4488 2.5008 2.5855 2.6650 3.6339 3.6935 4.0239 4.0819 4.3861 4.4951 4.6357 4.7011 5.1869 5.2460 5.4261 5.4614 6.4284 6.4980 6.7598 6.9327 9.0895 9.1435 9.4982 9.5100 9.6443 9.6701 10.0053 10.0330 10.6161 10.6868 k =-0.2778 0.3654 0.6059 ( 5779 PWs) bands (ev): -4.5168 -4.5123 -4.2648 -4.2564 -3.7573 -3.7522 -3.3351 -3.2976 -1.1773 -1.0998 -1.0322 -1.0182 -0.9282 -0.8517 -0.8006 -0.5749 -0.1002 0.0093 0.2377 0.2720 0.5628 0.6810 0.7095 0.7822 0.8858 0.9198 0.9686 1.0760 1.1359 1.3416 2.2924 2.3218 2.4808 2.5354 2.6042 2.6885 3.6374 3.6970 4.0159 4.0791 4.3321 4.4362 4.5903 4.6597 5.1664 5.2295 5.4052 5.4376 6.4305 6.5015 6.7844 6.9588 9.0451 9.0951 9.5321 9.5420 9.6534 9.6745 9.9902 10.0139 10.6686 10.7283 k =-0.2867 0.3771 0.5912 ( 5788 PWs) bands (ev): -4.5220 -4.5175 -4.2658 -4.2572 -3.7614 -3.7563 -3.3248 -3.2855 -1.1814 -1.1031 -1.0315 -1.0204 -0.9275 -0.8512 -0.8023 -0.5559 -0.1065 -0.0013 0.2360 0.2656 0.5607 0.6849 0.7089 0.7885 0.8832 0.9195 0.9681 1.0783 1.1289 1.3227 2.3389 2.3620 2.5072 2.5625 2.6207 2.7105 3.6440 3.7032 4.0115 4.0793 4.2795 4.3779 4.5491 4.6202 5.1531 5.2188 5.3897 5.4186 6.4319 6.5042 6.8059 6.9811 9.0065 9.0509 9.5600 9.5705 9.6598 9.6779 9.9780 9.9975 10.7212 10.7712 k =-0.2956 0.3888 0.5765 ( 5786 PWs) bands (ev): -4.5260 -4.5215 -4.2665 -4.2578 -3.7647 -3.7596 -3.3167 -3.2759 -1.1847 -1.1057 -1.0309 -1.0221 -0.9270 -0.8507 -0.8037 -0.5395 -0.1120 -0.0109 0.2354 0.2600 0.5591 0.6885 0.7079 0.7939 0.8808 0.9193 0.9676 1.0764 1.1285 1.3064 2.3780 2.3947 2.5278 2.5817 2.6346 2.7296 3.6526 3.7111 4.0110 4.0825 4.2317 4.3231 4.5142 4.5856 5.1449 5.2123 5.3789 5.4040 6.4329 6.5061 6.8236 6.9991 8.9759 9.0133 9.5824 9.5945 9.6630 9.6799 9.9690 9.9839 10.7709 10.8122 k =-0.3045 0.4005 0.5618 ( 5786 PWs) bands (ev): -4.5289 -4.5244 -4.2671 -4.2583 -3.7670 -3.7619 -3.3108 -3.2690 -1.1870 -1.1075 -1.0306 -1.0233 -0.9265 -0.8503 -0.8048 -0.5268 -0.1164 -0.0185 0.2355 0.2554 0.5579 0.6915 0.7067 0.7981 0.8789 0.9192 0.9672 1.0728 1.1315 1.2936 2.4077 2.4189 2.5426 2.5939 2.6452 2.7446 3.6614 3.7189 4.0145 4.0872 4.1934 4.2753 4.4875 4.5585 5.1402 5.2085 5.3719 5.3936 6.4336 6.5073 6.8369 7.0124 8.9542 8.9843 9.5997 9.6129 9.6635 9.6803 9.9631 9.9734 10.8142 10.8463 k =-0.3134 0.4122 0.5471 ( 5782 PWs) bands (ev): -4.5307 -4.5261 -4.2675 -4.2586 -3.7684 -3.7633 -3.3072 -3.2648 -1.1884 -1.1085 -1.0305 -1.0239 -0.9262 -0.8500 -0.8055 -0.5187 -0.1192 -0.0233 0.2361 0.2522 0.5572 0.6937 0.7055 0.8008 0.8777 0.9191 0.9670 1.0698 1.1346 1.2853 2.4265 2.4338 2.5515 2.6006 2.6516 2.7542 3.6681 3.7248 4.0201 4.0898 4.1712 4.2394 4.4707 4.5413 5.1377 5.2066 5.3681 5.3873 6.4339 6.5081 6.8451 7.0205 8.9417 8.9655 9.6114 9.6247 9.6626 9.6798 9.9605 9.9661 10.8463 10.8674 k =-0.3223 0.4238 0.5324 ( 5788 PWs) bands (ev): -4.5312 -4.5267 -4.2676 -4.2587 -3.7689 -3.7637 -3.3060 -3.2634 -1.1888 -1.1089 -1.0304 -1.0242 -0.9261 -0.8499 -0.8057 -0.5160 -0.1202 -0.0250 0.2364 0.2510 0.5569 0.6946 0.7050 0.8017 0.8772 0.9191 0.9669 1.0687 1.1359 1.2824 2.4329 2.4389 2.5544 2.6027 2.6538 2.7575 3.6706 3.7270 4.0232 4.0894 4.1659 4.2247 4.4650 4.5354 5.1370 5.2060 5.3669 5.3851 6.4340 6.5083 6.8479 7.0232 8.9378 8.9589 9.6156 9.6287 9.6620 9.6793 9.9604 9.9629 10.8597 10.8731 k =-0.3223 0.4238 0.5324 ( 5788 PWs) bands (ev): -4.5312 -4.5267 -4.2676 -4.2587 -3.7689 -3.7637 -3.3060 -3.2634 -1.1888 -1.1089 -1.0304 -1.0242 -0.9261 -0.8499 -0.8057 -0.5160 -0.1202 -0.0250 0.2364 0.2510 0.5569 0.6946 0.7050 0.8017 0.8772 0.9191 0.9669 1.0687 1.1359 1.2824 2.4329 2.4389 2.5544 2.6027 2.6538 2.7575 3.6706 3.7270 4.0232 4.0894 4.1659 4.2247 4.4650 4.5354 5.1370 5.2060 5.3669 5.3851 6.4340 6.5083 6.8479 7.0232 8.9378 8.9589 9.6156 9.6287 9.6620 9.6793 9.9604 9.9629 10.8597 10.8731 k =-0.3133 0.4121 0.5177 ( 5786 PWs) bands (ev): -4.5464 -4.5428 -4.2389 -4.2295 -3.7815 -3.7787 -3.3053 -3.2617 -1.1869 -1.1106 -1.0271 -1.0129 -0.9311 -0.8559 -0.8084 -0.5060 -0.1327 -0.0171 0.2410 0.2607 0.5634 0.6991 0.6995 0.7908 0.8683 0.9173 0.9781 1.0812 1.1401 1.2866 2.3973 2.4058 2.6072 2.6168 2.7006 2.7424 3.6535 3.7101 3.9876 4.0799 4.1514 4.1794 4.3889 4.4616 5.1415 5.1908 5.3862 5.3863 6.4593 6.5269 6.8746 7.0390 8.9606 8.9819 9.6188 9.6356 9.6913 9.6939 10.0019 10.0035 10.9662 10.9872 k =-0.3044 0.4003 0.5029 ( 5790 PWs) bands (ev): -4.5655 -4.5629 -4.2092 -4.1993 -3.7893 -3.7888 -3.3044 -3.2600 -1.1842 -1.1115 -1.0238 -1.0017 -0.9350 -0.8622 -0.8100 -0.4957 -0.1478 -0.0103 0.2445 0.2687 0.5703 0.6956 0.7019 0.7821 0.8584 0.9163 0.9906 1.0936 1.1452 1.2905 2.3450 2.3541 2.5646 2.6354 2.7980 2.8089 3.6350 3.6911 3.9491 4.0648 4.1384 4.1387 4.3131 4.3891 5.1485 5.1817 5.3973 5.4119 6.4780 6.5373 6.8956 7.0475 8.9842 9.0057 9.6231 9.6458 9.7049 9.7153 10.0454 10.0461 11.0747 11.1038 k =-0.2954 0.3885 0.4881 ( 5794 PWs) bands (ev): -4.5884 -4.5869 -4.1786 -4.1681 -3.7943 -3.7924 -3.3032 -3.2582 -1.1808 -1.1116 -1.0205 -0.9912 -0.9378 -0.8689 -0.8103 -0.4854 -0.1655 -0.0047 0.2470 0.2751 0.5773 0.6934 0.7022 0.7764 0.8480 0.9163 1.0035 1.1065 1.1511 1.2941 2.2908 2.2987 2.5228 2.6093 2.9040 2.9216 3.6152 3.6701 3.9113 4.0449 4.1027 4.1242 4.2384 4.3189 5.1580 5.1789 5.4170 5.4430 6.4894 6.5389 6.9108 7.0488 9.0083 9.0300 9.6302 9.6608 9.7158 9.7359 10.0878 10.0911 11.1818 11.2180 k =-0.2865 0.3767 0.4733 ( 5793 PWs) bands (ev): -4.6150 -4.6144 -4.1472 -4.1361 -3.7951 -3.7909 -3.3019 -3.2564 -1.1767 -1.1109 -1.0174 -0.9821 -0.9388 -0.8759 -0.8092 -0.4752 -0.1857 -0.0002 0.2485 0.2801 0.5842 0.6927 0.6995 0.7744 0.8373 0.9174 1.0158 1.1206 1.1574 1.2973 2.2365 2.2427 2.4822 2.5746 3.0205 3.0357 3.5942 3.6473 3.8762 4.0217 4.0712 4.1077 4.1653 4.2517 5.1699 5.1820 5.4445 5.4791 6.4934 6.5315 6.9200 7.0433 9.0327 9.0545 9.6413 9.6818 9.7297 9.7555 10.1296 10.1353 11.2829 11.3212 k =-0.2775 0.3650 0.4585 ( 5791 PWs) bands (ev): -4.6450 -4.6447 -4.1149 -4.1033 -3.7918 -3.7853 -3.3005 -3.2545 -1.1719 -1.1094 -1.0146 -0.9754 -0.9373 -0.8830 -0.8064 -0.4652 -0.2083 0.0030 0.2494 0.2840 0.5904 0.6933 0.6944 0.7754 0.8264 0.9200 1.0266 1.1368 1.1639 1.3000 2.1829 2.1871 2.4431 2.5377 3.1394 3.1489 3.5721 3.6227 3.8453 3.9971 4.0428 4.0884 4.0952 4.1892 5.1839 5.1902 5.4787 5.5195 6.4895 6.5150 6.9237 7.0317 9.0573 9.0791 9.6572 9.7092 9.7486 9.7758 10.1696 10.1773 11.3678 11.3999 k =-0.2686 0.3532 0.4437 ( 5807 PWs) bands (ev): -4.6781 -4.6771 -4.0819 -4.0698 -3.7846 -3.7760 -3.2988 -3.2526 -1.1666 -1.1071 -1.0123 -0.9717 -0.9330 -0.8900 -0.8018 -0.4556 -0.2330 0.0051 0.2497 0.2871 0.5956 0.6882 0.6950 0.7782 0.8154 0.9243 1.0353 1.1556 1.1703 1.3020 2.1301 2.1320 2.4056 2.5001 3.2574 3.2587 3.5494 3.5967 3.8203 3.9723 4.0095 4.0376 4.0654 4.1340 5.1992 5.2021 5.5187 5.5641 6.4776 6.4896 6.9222 7.0151 9.0821 9.1037 9.6783 9.7430 9.7737 9.7987 10.2069 10.2162 11.4066 11.4368 k =-0.2596 0.3414 0.4289 ( 5807 PWs) bands (ev): -4.7132 -4.7116 -4.0483 -4.0357 -3.7740 -3.7635 -3.2970 -3.2507 -1.1608 -1.1041 -1.0104 -0.9703 -0.9265 -0.8968 -0.7953 -0.4466 -0.2596 0.0060 0.2495 0.2895 0.5994 0.6820 0.6975 0.7816 0.8046 0.9304 1.0417 1.1747 1.1786 1.3034 2.0776 2.0785 2.3699 2.4625 3.3597 3.3705 3.5270 3.5696 3.8046 3.9465 3.9541 4.0142 4.0365 4.0911 5.2150 5.2165 5.5639 5.6125 6.4556 6.4579 6.9164 6.9948 9.1072 9.1283 9.7052 9.7830 9.8055 9.8250 10.2405 10.2511 11.3638 11.4195 k =-0.2506 0.3297 0.4141 ( 5807 PWs) bands (ev): -4.7499 -4.7478 -4.0141 -4.0010 -3.7606 -3.7484 -3.2950 -3.2487 -1.1545 -1.1005 -1.0094 -0.9703 -0.9192 -0.9030 -0.7870 -0.4382 -0.2877 0.0057 0.2491 0.2915 0.6016 0.6767 0.7006 0.7850 0.7939 0.9384 1.0459 1.1807 1.2019 1.3041 2.0241 2.0280 2.3360 2.4250 3.4420 3.4627 3.5159 3.5428 3.8033 3.8940 3.9245 4.0044 4.0087 4.0623 5.2302 5.2319 5.6135 5.6644 6.4135 6.4305 6.9073 6.9722 9.1328 9.1531 9.7379 9.8281 9.8436 9.8560 10.2699 10.2813 11.2744 11.3574 k =-0.2417 0.3179 0.3993 ( 5799 PWs) bands (ev): -4.7875 -4.7851 -3.9794 -3.9659 -3.7447 -3.7309 -3.2929 -3.2466 -1.1478 -1.0964 -1.0093 -0.9709 -0.9116 -0.9084 -0.7768 -0.4306 -0.3171 0.0043 0.2485 0.2933 0.6022 0.6725 0.7040 0.7836 0.7879 0.9482 1.0483 1.1847 1.2281 1.3039 1.9713 1.9788 2.3042 2.3878 3.4652 3.4842 3.5251 3.5740 3.8192 3.8466 3.9014 3.9831 4.0203 4.0440 5.2436 5.2470 5.6671 5.7195 6.3643 6.3959 6.8962 6.9491 9.1592 9.1783 9.7763 9.8752 9.8874 9.8938 10.2944 10.3063 11.1649 11.2685 k =-0.2327 0.3061 0.3845 ( 5799 PWs) bands (ev): -4.8258 -4.8231 -3.9444 -3.9304 -3.7269 -3.7116 -3.2905 -3.2446 -1.1409 -1.0921 -1.0102 -0.9716 -0.9125 -0.9042 -0.7652 -0.4239 -0.3472 0.0017 0.2480 0.2950 0.6015 0.6695 0.7071 0.7742 0.7901 0.9594 1.0492 1.1877 1.2556 1.3029 1.9194 1.9309 2.2746 2.3512 3.4412 3.4702 3.5282 3.6174 3.8222 3.8348 3.8807 3.9883 4.0435 4.0564 5.2541 5.2604 5.7243 5.7776 6.3088 6.3545 6.8843 6.9271 9.1865 9.2042 9.8196 9.9174 9.9356 9.9435 10.3139 10.3260 11.0449 11.1645 k =-0.2238 0.2943 0.3698 ( 5791 PWs) bands (ev): -4.8644 -4.8614 -3.9091 -3.8947 -3.7074 -3.6908 -3.2881 -3.2425 -1.1338 -1.0880 -1.0119 -0.9722 -0.9152 -0.8970 -0.7526 -0.4181 -0.3776 -0.0021 0.2475 0.2967 0.6000 0.6672 0.7093 0.7661 0.7918 0.9718 1.0489 1.1896 1.2840 1.3009 1.8682 1.8844 2.2472 2.3154 3.4149 3.4420 3.5196 3.6106 3.8231 3.8315 3.8662 3.9921 4.0983 4.1229 5.2607 5.2709 5.7846 5.8382 6.2481 6.3071 6.8733 6.9077 9.2149 9.2310 9.8669 9.9559 9.9866 10.0016 10.3287 10.3405 10.9191 11.0519 k =-0.2148 0.2826 0.3550 ( 5791 PWs) bands (ev): -4.9029 -4.8998 -3.8736 -3.8589 -3.6865 -3.6689 -3.2855 -3.2404 -1.1266 -1.0848 -1.0139 -0.9726 -0.9165 -0.8899 -0.7393 -0.4133 -0.4078 -0.0069 0.2472 0.2985 0.5982 0.6651 0.7096 0.7604 0.7931 0.9849 1.0476 1.1903 1.2978 1.3124 1.8179 1.8394 2.2223 2.2806 3.3879 3.4121 3.4983 3.5747 3.8199 3.8216 3.8670 3.9856 4.1954 4.2159 5.2624 5.2773 5.8476 5.9005 6.1839 6.2546 6.8645 6.8925 9.2446 9.2589 9.9160 9.9912 10.0386 10.0635 10.3401 10.3513 10.7909 10.9345 k =-0.2059 0.2708 0.3402 ( 5787 PWs) bands (ev): -4.9410 -4.9379 -3.8381 -3.8230 -3.6647 -3.6460 -3.2828 -3.2383 -1.1194 -1.0831 -1.0151 -0.9728 -0.9165 -0.8828 -0.7260 -0.4371 -0.4094 -0.0128 0.2473 0.3005 0.5968 0.6627 0.7070 0.7580 0.7941 0.9984 1.0454 1.1899 1.2936 1.3404 1.7684 1.7959 2.1999 2.2470 3.3607 3.3823 3.4697 3.5298 3.8090 3.8104 3.8799 3.9795 4.3080 4.3255 5.2586 5.2787 5.9130 5.9623 6.1194 6.1978 6.8593 6.8829 9.2753 9.2879 9.9633 10.0193 10.0890 10.1272 10.3504 10.3615 10.6638 10.8155 k =-0.1969 0.2590 0.3254 ( 5789 PWs) bands (ev): -4.9786 -4.9755 -3.8025 -3.7873 -3.6421 -3.6226 -3.2799 -3.2362 -1.1122 -1.0841 -1.0145 -0.9729 -0.9154 -0.8755 -0.7134 -0.4647 -0.4066 -0.0198 0.2476 0.3027 0.5960 0.6598 0.7014 0.7590 0.7950 1.0118 1.0424 1.1886 1.2884 1.3674 1.7198 1.7539 2.1799 2.2148 3.3337 3.3533 3.4375 3.4833 3.7978 3.8008 3.8961 3.9765 4.4270 4.4439 5.2488 5.2745 5.9803 6.0016 6.0775 6.1379 6.8588 6.8797 9.3069 9.3177 10.0018 10.0334 10.1362 10.1913 10.3616 10.3759 10.5435 10.6982 k =-0.1880 0.2472 0.3106 ( 5793 PWs) bands (ev): -5.0154 -5.0123 -3.7672 -3.7517 -3.6190 -3.5989 -3.2770 -3.2341 -1.1052 -1.0881 -1.0114 -0.9728 -0.9135 -0.8683 -0.7023 -0.4894 -0.4047 -0.0276 0.2483 0.3052 0.5960 0.6563 0.6937 0.7626 0.7958 1.0249 1.0388 1.1863 1.2820 1.3926 1.6722 1.7136 2.1625 2.1845 3.3072 3.3253 3.4040 3.4380 3.7866 3.7951 3.9141 3.9775 4.5482 4.5666 5.2329 5.2644 5.9578 6.0469 6.0786 6.1200 6.8640 6.8836 9.3388 9.3480 10.0204 10.0264 10.1807 10.2526 10.3566 10.3972 10.4566 10.5894 k =-0.1790 0.2355 0.2958 ( 5799 PWs) bands (ev): -5.0513 -5.0483 -3.7321 -3.7166 -3.5957 -3.5750 -3.2740 -3.2320 -1.0985 -1.0949 -1.0059 -0.9727 -0.9109 -0.8611 -0.6937 -0.5100 -0.4038 -0.0363 0.2493 0.3081 0.5968 0.6524 0.6847 0.7676 0.7966 1.0346 1.0374 1.1831 1.2745 1.4155 1.6255 1.6750 2.1476 2.1562 3.2815 3.2986 3.3708 3.3950 3.7772 3.7910 3.9340 3.9832 4.6689 4.6906 5.2113 5.2485 5.8922 6.0115 6.1219 6.1872 6.8752 6.8949 9.3702 9.3778 9.9933 10.0107 10.2209 10.2629 10.3298 10.4054 10.4607 10.5153 k =-0.1701 0.2237 0.2810 ( 5811 PWs) bands (ev): -5.0861 -5.0831 -3.6974 -3.6819 -3.5722 -3.5511 -3.2709 -3.2300 -1.1037 -1.0921 -0.9984 -0.9727 -0.9080 -0.8543 -0.6887 -0.5247 -0.4040 -0.0457 0.2507 0.3114 0.5980 0.6486 0.6750 0.7735 0.7972 1.0298 1.0492 1.1792 1.2660 1.4355 1.5801 1.6381 2.1305 2.1350 3.2568 3.2734 3.3391 3.3550 3.7698 3.7875 3.9558 3.9939 4.7858 4.8137 5.1845 5.2281 5.8274 5.9505 6.1933 6.2584 6.8927 6.9135 9.4000 9.4059 9.9331 9.9731 10.1768 10.2322 10.3625 10.3704 10.4523 10.4839 k =-0.1611 0.2119 0.2662 ( 5811 PWs) bands (ev): -5.1196 -5.1168 -3.6633 -3.6478 -3.5488 -3.5275 -3.2677 -3.2280 -1.1139 -1.0860 -0.9897 -0.9731 -0.9048 -0.8485 -0.6874 -0.5326 -0.4050 -0.0556 0.2524 0.3151 0.5989 0.6459 0.6651 0.7798 0.7975 1.0244 1.0601 1.1747 1.2565 1.4520 1.5361 1.6029 2.1077 2.1246 3.2333 3.2498 3.3096 3.3184 3.7641 3.7841 3.9793 4.0096 4.8934 4.9333 5.1535 5.2058 5.7689 5.8930 6.2658 6.3313 6.9164 6.9390 9.4260 9.4298 9.8501 9.9129 10.0942 10.1798 10.2750 10.3166 10.4253 10.4609 k =-0.1522 0.2001 0.2514 ( 5803 PWs) bands (ev): -5.1518 -5.1491 -3.6298 -3.6146 -3.5256 -3.5043 -3.2645 -3.2260 -1.1248 -1.0804 -0.9802 -0.9740 -0.9014 -0.8443 -0.6886 -0.5339 -0.4070 -0.0661 0.2544 0.3193 0.5983 0.6457 0.6552 0.7861 0.7974 1.0186 1.0701 1.1695 1.2463 1.4643 1.4938 1.5696 2.0881 2.1163 3.2110 3.2277 3.2830 3.2854 3.7601 3.7802 4.0042 4.0301 4.9793 5.0451 5.1194 5.1896 5.7227 5.8434 6.3388 6.4049 6.9459 6.9709 9.4452 9.4456 9.7528 9.8353 10.0218 10.1014 10.1532 10.1943 10.4637 10.5027 k =-0.1432 0.1884 0.2366 ( 5799 PWs) bands (ev): -5.1826 -5.1800 -3.5971 -3.5822 -3.5028 -3.4817 -3.2613 -3.2241 -1.1362 -1.0754 -0.9759 -0.9704 -0.8977 -0.8424 -0.6897 -0.5301 -0.4099 -0.0769 0.2568 0.3239 0.5951 0.6453 0.6491 0.7921 0.7968 1.0124 1.0790 1.1639 1.2357 1.4533 1.4722 1.5380 2.0720 2.1097 3.1902 3.2073 3.2560 3.2595 3.7574 3.7758 4.0302 4.0547 5.0192 5.0818 5.1441 5.1961 5.6983 5.8088 6.4120 6.4787 6.9807 7.0082 9.4465 9.4526 9.6508 9.7454 9.9584 10.0100 10.0477 10.0720 10.5100 10.5424 k =-0.1343 0.1766 0.2219 ( 5803 PWs) bands (ev): -5.2119 -5.2094 -3.5654 -3.5510 -3.4806 -3.4597 -3.2581 -3.2223 -1.1477 -1.0710 -0.9789 -0.9608 -0.8938 -0.8431 -0.6882 -0.5229 -0.4136 -0.0880 0.2596 0.3291 0.5895 0.6357 0.6562 0.7955 0.7973 1.0060 1.0869 1.1578 1.2249 1.4154 1.4752 1.5081 2.0595 2.1047 3.1710 3.1886 3.2304 3.2393 3.7557 3.7709 4.0567 4.0828 5.0077 5.0446 5.2176 5.2195 5.7081 5.7997 6.4849 6.5522 7.0200 7.0503 9.4225 9.4419 9.5523 9.6479 9.8922 9.8952 9.9685 9.9872 10.5501 10.5729 k =-0.1253 0.1648 0.2071 ( 5803 PWs) bands (ev): -5.2395 -5.2372 -3.5347 -3.5210 -3.4589 -3.4387 -3.2548 -3.2205 -1.1590 -1.0678 -0.9831 -0.9516 -0.8896 -0.8458 -0.6830 -0.5137 -0.4180 -0.0994 0.2627 0.3347 0.5822 0.6262 0.6663 0.7934 0.8012 0.9994 1.0937 1.1513 1.2143 1.3802 1.4733 1.4798 2.0506 2.1009 3.1535 3.1717 3.2083 3.2223 3.7548 3.7655 4.0834 4.1136 4.9711 5.0071 5.2283 5.2566 5.7588 5.8272 6.5572 6.6249 7.0632 7.0961 9.3651 9.4077 9.4632 9.5466 9.7732 9.8002 9.9215 9.9535 10.5768 10.5916 k =-0.1164 0.1531 0.1923 ( 5803 PWs) bands (ev): -5.2655 -5.2634 -3.5053 -3.4925 -3.4380 -3.4185 -3.2515 -3.2189 -1.1699 -1.0663 -0.9883 -0.9434 -0.8848 -0.8492 -0.6740 -0.5035 -0.4232 -0.1110 0.2662 0.3408 0.5741 0.6171 0.6786 0.7905 0.8034 0.9929 1.0992 1.1446 1.2045 1.3483 1.4531 1.4667 2.0450 2.0981 3.1380 3.1569 3.1896 3.2081 3.7542 3.7597 4.1095 4.1464 4.9249 4.9707 5.2159 5.2602 5.8432 5.8926 6.6285 6.6962 7.1096 7.1449 9.2824 9.3497 9.3774 9.4435 9.6582 9.6898 9.9146 9.9423 10.5849 10.5971 k =-0.1074 0.1413 0.1775 ( 5805 PWs) bands (ev): -5.2898 -5.2878 -3.4774 -3.4656 -3.4179 -3.3995 -3.2483 -3.2174 -1.1802 -1.0674 -0.9934 -0.9365 -0.8793 -0.8522 -0.6618 -0.4929 -0.4290 -0.1229 0.2702 0.3471 0.5657 0.6084 0.6927 0.7869 0.8032 0.9868 1.1035 1.1377 1.1958 1.3200 1.4279 1.4559 2.0423 2.0961 3.1247 3.1443 3.1740 3.1965 3.7536 3.7537 4.1344 4.1801 4.8747 4.9362 5.1906 5.2388 5.9485 5.9858 6.6983 6.7655 7.1583 7.1957 9.1915 9.2733 9.2846 9.3395 9.5485 9.5807 9.9267 9.9484 10.5729 10.5896 k =-0.0985 0.1295 0.1627 ( 5789 PWs) bands (ev): -5.3122 -5.3104 -3.4510 -3.4405 -3.3988 -3.3816 -3.2451 -3.2159 -1.1898 -1.0721 -0.9971 -0.9313 -0.8730 -0.8542 -0.6474 -0.4821 -0.4353 -0.1351 0.2748 0.3537 0.5574 0.6001 0.7077 0.7831 0.8000 0.9815 1.1065 1.1310 1.1887 1.2955 1.4040 1.4413 2.0419 2.0946 3.1136 3.1338 3.1613 3.1870 3.7475 3.7527 4.1577 4.2137 4.8236 4.9044 5.1601 5.2040 6.0654 6.0954 6.7662 6.8322 7.2087 7.2475 9.1013 9.1827 9.1846 9.2360 9.4449 9.4764 9.9489 9.9655 10.5445 10.5706 k =-0.0895 0.1177 0.1479 ( 5797 PWs) bands (ev): -5.3329 -5.3312 -3.4263 -3.4174 -3.3806 -3.3650 -3.2419 -3.2146 -1.1985 -1.0808 -0.9985 -0.9277 -0.8662 -0.8547 -0.6315 -0.4711 -0.4420 -0.1477 0.2800 0.3604 0.5495 0.5923 0.7223 0.7800 0.7934 0.9771 1.1082 1.1249 1.1834 1.2748 1.3814 1.4237 2.0433 2.0935 3.1049 3.1256 3.1510 3.1791 3.7412 3.7513 4.1787 4.2462 4.7740 4.8758 5.1287 5.1639 6.1884 6.2141 6.8317 6.8957 7.2599 7.2996 9.0152 9.0737 9.0852 9.1372 9.3478 9.3780 9.9760 9.9881 10.5062 10.5424 k =-0.0806 0.1060 0.1331 ( 5797 PWs) bands (ev): -5.3517 -5.3502 -3.4036 -3.3964 -3.3634 -3.3497 -3.2387 -3.2135 -1.2062 -1.0929 -0.9973 -0.9258 -0.8591 -0.8540 -0.6149 -0.4598 -0.4490 -0.1609 0.2861 0.3669 0.5423 0.5849 0.7336 0.7804 0.7835 0.9736 1.1091 1.1200 1.1799 1.2577 1.3601 1.4037 2.0461 2.0926 3.0984 3.1194 3.1430 3.1726 3.7350 3.7491 4.1970 4.2758 4.7283 4.8506 5.0986 5.1230 6.3146 6.3373 6.8943 6.9553 7.3111 7.3508 8.9342 8.9605 8.9760 9.0469 9.2580 9.2863 10.0047 10.0124 10.4643 10.5080 k =-0.0716 0.0942 0.1183 ( 5793 PWs) bands (ev): -5.3685 -5.3672 -3.3830 -3.3777 -3.3475 -3.3358 -3.2356 -3.2125 -1.2126 -1.1072 -0.9944 -0.9252 -0.8522 -0.8521 -0.5982 -0.4560 -0.4482 -0.1747 0.2930 0.3730 0.5359 0.5779 0.7374 0.7707 0.7884 0.9707 1.1095 1.1167 1.1779 1.2437 1.3399 1.3819 2.0496 2.0917 3.0942 3.1151 3.1370 3.1671 3.7290 3.7461 4.2122 4.3006 4.6892 4.8289 5.0709 5.0840 6.4420 6.4623 6.9536 7.0102 7.3615 7.4002 8.8393 8.8606 8.8652 8.9648 9.1759 9.2020 10.0323 10.0354 10.4235 10.4702 k =-0.0627 0.0824 0.1035 ( 5799 PWs) bands (ev): -5.3835 -5.3823 -3.3647 -3.3612 -3.3328 -3.3234 -3.2325 -3.2117 -1.2178 -1.1225 -0.9901 -0.9257 -0.8496 -0.8455 -0.5820 -0.4631 -0.4358 -0.1893 0.3008 0.3783 0.5306 0.5714 0.7341 0.7559 0.8034 0.9680 1.1101 1.1154 1.1769 1.2321 1.3210 1.3592 2.0536 2.0908 3.0918 3.1123 3.1329 3.1624 3.7236 3.7423 4.2244 4.3184 4.6594 4.8104 5.0459 5.0488 6.5690 6.5872 7.0089 7.0600 7.4100 7.4469 8.7217 8.7425 8.7989 8.8901 9.1021 9.1257 10.0544 10.0567 10.3875 10.4319 k =-0.0537 0.0706 0.0887 ( 5807 PWs) bands (ev): -5.3965 -5.3955 -3.3487 -3.3470 -3.3197 -3.3125 -3.2294 -3.2110 -1.2216 -1.1379 -0.9851 -0.9273 -0.8464 -0.8398 -0.5669 -0.4700 -0.4223 -0.2049 0.3096 0.3827 0.5264 0.5652 0.7275 0.7402 0.8216 0.9650 1.1115 1.1164 1.1765 1.2224 1.3035 1.3361 2.0578 2.0898 3.0912 3.1106 3.1304 3.1581 3.7187 3.7378 4.2336 4.3270 4.6415 4.7944 5.0183 5.0239 6.6941 6.7099 7.0599 7.1039 7.4558 7.4897 8.6035 8.6242 8.7421 8.8230 9.0371 9.0580 10.0676 10.0759 10.3589 10.3962 k =-0.0448 0.0589 0.0740 ( 5799 PWs) bands (ev): -5.4075 -5.4067 -3.3353 -3.3351 -3.3083 -3.3031 -3.2263 -3.2106 -1.2238 -1.1529 -0.9796 -0.9297 -0.8429 -0.8350 -0.5532 -0.4768 -0.4075 -0.2213 0.3192 0.3856 0.5235 0.5592 0.7196 0.7250 0.8408 0.9612 1.1144 1.1197 1.1761 1.2137 1.2875 1.3136 2.0620 2.0886 3.0918 3.1097 3.1293 3.1542 3.7146 3.7328 4.2405 4.3261 4.6359 4.7801 4.9934 5.0048 6.8155 6.8281 7.1063 7.1416 7.4978 7.5276 8.4876 8.5079 8.6945 8.7638 8.9814 8.9993 10.0739 10.0882 10.3391 10.3658 k =-0.0358 0.0471 0.0592 ( 5795 PWs) bands (ev): -5.4165 -5.4159 -3.3252 -3.3245 -3.2988 -3.2953 -3.2233 -3.2104 -1.2244 -1.1670 -0.9739 -0.9328 -0.8394 -0.8313 -0.5412 -0.4832 -0.3913 -0.2387 0.3296 0.3868 0.5219 0.5531 0.7114 0.7115 0.8599 0.9564 1.1190 1.1249 1.1752 1.2052 1.2734 1.2927 2.0661 2.0873 3.0935 3.1091 3.1295 3.1505 3.7115 3.7275 4.2457 4.3178 4.6409 4.7664 4.9742 4.9885 6.9302 6.9384 7.1481 7.1727 7.5347 7.5597 8.3773 8.3964 8.6565 8.7132 8.9355 8.9502 10.0742 10.0925 10.3278 10.3432 k =-0.0269 0.0353 0.0444 ( 5797 PWs) bands (ev): -5.4236 -5.4231 -3.3175 -3.3163 -3.2913 -3.2892 -3.2204 -3.2106 -1.2233 -1.1799 -0.9680 -0.9366 -0.8359 -0.8288 -0.5310 -0.4895 -0.3737 -0.2570 0.3403 0.3859 0.5218 0.5471 0.7008 0.7037 0.8781 0.9504 1.1258 1.1317 1.1732 1.1961 1.2618 1.2746 2.0698 2.0857 3.0959 3.1085 3.1306 3.1469 3.7095 3.7224 4.2503 4.3053 4.6531 4.7525 4.9609 4.9749 7.0335 7.0350 7.1860 7.1977 7.5657 7.5849 8.2769 8.2940 8.6282 8.6716 8.8999 8.9111 10.0710 10.0897 10.3225 10.3289 k =-0.0179 0.0235 0.0296 ( 5785 PWs) bands (ev): -5.4286 -5.4282 -3.3118 -3.3107 -3.2859 -3.2848 -3.2177 -3.2111 -1.2204 -1.1913 -0.9621 -0.9409 -0.8328 -0.8276 -0.5222 -0.4955 -0.3550 -0.2761 0.3510 0.3829 0.5231 0.5410 0.6935 0.6971 0.8948 0.9429 1.1347 1.1395 1.1699 1.1856 1.2532 1.2607 2.0733 2.0838 3.0986 3.1075 3.1324 3.1436 3.7088 3.7178 4.2551 4.2919 4.6692 4.7378 4.9530 4.9640 7.1094 7.1164 7.2189 7.2208 7.5896 7.6027 8.1937 8.2071 8.6100 8.6393 8.8747 8.8823 10.0675 10.0826 10.3205 10.3217 k =-0.0090 0.0118 0.0148 ( 5789 PWs) bands (ev): -5.4315 -5.4314 -3.3082 -3.3076 -3.2827 -3.2822 -3.2154 -3.2121 -1.2158 -1.2012 -0.9564 -0.9457 -0.8303 -0.8275 -0.5146 -0.5016 -0.3355 -0.2957 0.3612 0.3776 0.5259 0.5351 0.6898 0.6922 0.9098 0.9337 1.1451 1.1473 1.1653 1.1738 1.2484 1.2517 2.0764 2.0817 3.1014 3.1060 3.1348 3.1404 3.7093 3.7139 4.2612 4.2795 4.6870 4.7219 4.9500 4.9561 7.1548 7.1640 7.2413 7.2489 7.6057 7.6122 8.1378 8.1455 8.6020 8.6168 8.8603 8.8642 10.0664 10.0747 10.3190 10.3195 k = 0.0000 0.0000 0.0000 ( 5801 PWs) bands (ev): -5.4325 -5.4325 -3.3068 -3.3068 -3.2814 -3.2814 -3.2135 -3.2135 -1.2094 -1.2094 -0.9509 -0.9509 -0.8284 -0.8284 -0.5078 -0.5078 -0.3156 -0.3156 0.3702 0.3702 0.5300 0.5300 0.6895 0.6895 0.9227 0.9227 1.1523 1.1523 1.1638 1.1638 1.2478 1.2478 2.0792 2.0792 3.1039 3.1039 3.1375 3.1375 3.7110 3.7110 4.2692 4.2692 4.7048 4.7048 4.9512 4.9512 7.1730 7.1730 7.2572 7.2572 7.6133 7.6133 8.1203 8.1203 8.6043 8.6043 8.8568 8.8568 10.0687 10.0687 10.3188 10.3188 k = 0.0000 0.0000 0.0000 ( 5801 PWs) bands (ev): -5.4325 -5.4325 -3.3068 -3.3068 -3.2814 -3.2814 -3.2135 -3.2135 -1.2094 -1.2094 -0.9509 -0.9509 -0.8284 -0.8284 -0.5078 -0.5078 -0.3156 -0.3156 0.3702 0.3702 0.5300 0.5300 0.6895 0.6895 0.9227 0.9227 1.1523 1.1523 1.1638 1.1638 1.2478 1.2478 2.0792 2.0792 3.1039 3.1039 3.1375 3.1375 3.7110 3.7110 4.2692 4.2692 4.7048 4.7048 4.9512 4.9512 7.1730 7.1730 7.2572 7.2572 7.6133 7.6133 8.1203 8.1203 8.6043 8.6043 8.8568 8.8568 10.0687 10.0687 10.3188 10.3188 k = 0.0167 0.0127 0.0000 ( 5785 PWs) bands (ev): -5.4314 -5.4314 -3.3068 -3.3068 -3.2817 -3.2817 -3.2159 -3.2159 -1.2096 -1.2096 -0.9505 -0.9505 -0.8282 -0.8282 -0.5081 -0.5081 -0.3150 -0.3150 0.3683 0.3683 0.5307 0.5307 0.6907 0.6907 0.9225 0.9225 1.1477 1.1477 1.1674 1.1674 1.2469 1.2469 2.0817 2.0817 3.1051 3.1051 3.1388 3.1388 3.7119 3.7119 4.2715 4.2715 4.7070 4.7070 4.9534 4.9534 7.1686 7.1686 7.2533 7.2533 7.5830 7.5830 8.1513 8.1513 8.6017 8.6017 8.8624 8.8624 10.0711 10.0711 10.3207 10.3207 k = 0.0333 0.0253 0.0000 ( 5785 PWs) bands (ev): -5.4283 -5.4283 -3.3068 -3.3068 -3.2827 -3.2827 -3.2230 -3.2230 -1.2104 -1.2104 -0.9491 -0.9491 -0.8274 -0.8274 -0.5088 -0.5088 -0.3133 -0.3133 0.3627 0.3627 0.5329 0.5329 0.6941 0.6941 0.9217 0.9217 1.1393 1.1393 1.1730 1.1730 1.2443 1.2443 2.0889 2.0889 3.1087 3.1087 3.1429 3.1429 3.7146 3.7146 4.2787 4.2787 4.7134 4.7134 4.9599 4.9599 7.1552 7.1552 7.2417 7.2417 7.5076 7.5076 8.2287 8.2287 8.5943 8.5943 8.8786 8.8786 10.0776 10.0776 10.3261 10.3261 k = 0.0500 0.0380-0.0000 ( 5773 PWs) bands (ev): -5.4231 -5.4231 -3.3067 -3.3067 -3.2848 -3.2848 -3.2341 -3.2341 -1.2117 -1.2117 -0.9470 -0.9470 -0.8262 -0.8262 -0.5101 -0.5101 -0.3105 -0.3105 0.3540 0.3540 0.5364 0.5364 0.6992 0.6992 0.9204 0.9204 1.1299 1.1299 1.1780 1.1780 1.2401 1.2401 2.1008 2.1008 3.1148 3.1148 3.1495 3.1495 3.7190 3.7190 4.2904 4.2904 4.7242 4.7242 4.9706 4.9706 7.1332 7.1332 7.2227 7.2227 7.4097 7.4097 8.3298 8.3298 8.5841 8.5841 8.9035 8.9035 10.0872 10.0872 10.3340 10.3340 k = 0.0667 0.0507-0.0000 ( 5777 PWs) bands (ev): -5.4159 -5.4159 -3.3067 -3.3067 -3.2895 -3.2895 -3.2477 -3.2477 -1.2132 -1.2132 -0.9444 -0.9444 -0.8244 -0.8244 -0.5117 -0.5117 -0.3068 -0.3068 0.3425 0.3425 0.5412 0.5412 0.7052 0.7052 0.9188 0.9188 1.1202 1.1202 1.1822 1.1822 1.2344 1.2344 2.1171 2.1171 3.1233 3.1233 3.1588 3.1588 3.7251 3.7251 4.3068 4.3068 4.7391 4.7391 4.9854 4.9854 7.1030 7.1030 7.1965 7.1965 7.3022 7.3022 8.4419 8.4419 8.5726 8.5726 8.9355 8.9355 10.0973 10.0973 10.3425 10.3425 k = 0.0833 0.0634-0.0000 ( 5773 PWs) bands (ev): -5.4066 -5.4066 -3.3072 -3.3072 -3.2998 -3.2998 -3.2599 -3.2599 -1.2148 -1.2148 -0.9416 -0.9416 -0.8223 -0.8223 -0.5139 -0.5139 -0.3023 -0.3023 0.3290 0.3290 0.5473 0.5473 0.7115 0.7115 0.9171 0.9171 1.1106 1.1106 1.1855 1.1855 1.2273 1.2273 2.1374 2.1374 3.1342 3.1342 3.1707 3.1707 3.7327 3.7327 4.3276 4.3276 4.7580 4.7580 5.0041 5.0041 7.0647 7.0647 7.1637 7.1637 7.1911 7.1911 8.5591 8.5591 8.5613 8.5613 8.9732 8.9732 10.1041 10.1041 10.3458 10.3458 k = 0.1000 0.0760-0.0000 ( 5785 PWs) bands (ev): -5.3952 -5.3952 -3.3215 -3.3215 -3.3057 -3.3057 -3.2674 -3.2674 -1.2165 -1.2165 -0.9388 -0.9388 -0.8198 -0.8198 -0.5164 -0.5164 -0.2972 -0.2972 0.3140 0.3140 0.5545 0.5545 0.7171 0.7171 0.9156 0.9156 1.1015 1.1015 1.1880 1.1880 1.2192 1.2192 2.1614 2.1614 3.1474 3.1474 3.1850 3.1850 3.7418 3.7418 4.3526 4.3526 4.7808 4.7808 5.0267 5.0267 7.0167 7.0167 7.0819 7.0819 7.1249 7.1249 8.5511 8.5511 8.6784 8.6784 9.0157 9.0157 10.1019 10.1019 10.3332 10.3332 k = 0.1167 0.0887-0.0000 ( 5781 PWs) bands (ev): -5.3818 -5.3818 -3.3496 -3.3496 -3.3058 -3.3058 -3.2711 -3.2711 -1.2179 -1.2179 -0.9363 -0.9363 -0.8169 -0.8169 -0.5192 -0.5192 -0.2918 -0.2918 0.2978 0.2978 0.5630 0.5630 0.7213 0.7213 0.9146 0.9146 1.0932 1.0932 1.1900 1.1900 1.2100 1.2100 2.1887 2.1887 3.1630 3.1630 3.2017 3.2017 3.7521 3.7521 4.3817 4.3817 4.8073 4.8073 5.0527 5.0527 6.9434 6.9434 6.9923 6.9923 7.0808 7.0808 8.5426 8.5426 8.7977 8.7977 9.0622 9.0622 10.0858 10.0858 10.3186 10.3186 k = 0.1333 0.1014-0.0000 ( 5777 PWs) bands (ev): -5.3664 -5.3664 -3.3835 -3.3835 -3.3056 -3.3056 -3.2732 -3.2732 -1.2191 -1.2191 -0.9344 -0.9344 -0.8138 -0.8138 -0.5222 -0.5222 -0.2863 -0.2863 0.2808 0.2808 0.5726 0.5726 0.7238 0.7238 0.9144 0.9144 1.0858 1.0858 1.1916 1.1916 1.2002 1.2002 2.2190 2.2190 3.1809 3.1809 3.2207 3.2207 3.7634 3.7634 4.4147 4.4147 4.8372 4.8372 5.0821 5.0821 6.8392 6.8392 6.9299 6.9299 7.0321 7.0321 8.5362 8.5362 8.9153 8.9153 9.1124 9.1124 10.0553 10.0553 10.3098 10.3098 k = 0.1500 0.1141-0.0000 ( 5797 PWs) bands (ev): -5.3489 -5.3489 -3.4218 -3.4218 -3.3054 -3.3054 -3.2746 -3.2746 -1.2199 -1.2199 -0.9332 -0.9332 -0.8103 -0.8103 -0.5255 -0.5255 -0.2809 -0.2809 0.2630 0.2630 0.5833 0.5833 0.7242 0.7242 0.9153 0.9153 1.0794 1.0794 1.1897 1.1897 1.1930 1.1930 2.2521 2.2521 3.2010 3.2010 3.2420 3.2420 3.7754 3.7754 4.4512 4.4512 4.8702 4.8702 5.1143 5.1143 6.7298 6.7298 6.8704 6.8704 6.9796 6.9796 8.5323 8.5323 9.0294 9.0294 9.1660 9.1660 10.0153 10.0153 10.3017 10.3017 k = 0.1667 0.1267-0.0000 ( 5805 PWs) bands (ev): -5.3295 -5.3295 -3.4636 -3.4636 -3.3051 -3.3051 -3.2757 -3.2757 -1.2201 -1.2201 -0.9329 -0.9329 -0.8066 -0.8066 -0.5289 -0.5289 -0.2758 -0.2758 0.2447 0.2447 0.5948 0.5948 0.7229 0.7229 0.9171 0.9171 1.0739 1.0739 1.1788 1.1788 1.1944 1.1944 2.2877 2.2877 3.2233 3.2233 3.2652 3.2652 3.7879 3.7879 4.4909 4.4909 4.9060 4.9060 5.1491 5.1491 6.6213 6.6213 6.8092 6.8092 6.9241 6.9241 8.5310 8.5310 9.1372 9.1372 9.2226 9.2226 9.9719 9.9719 10.2862 10.2862 k = 0.1833 0.1394 0.0000 ( 5805 PWs) bands (ev): -5.3080 -5.3080 -3.5086 -3.5086 -3.3048 -3.3048 -3.2767 -3.2767 -1.2199 -1.2199 -0.9336 -0.9336 -0.8025 -0.8025 -0.5323 -0.5323 -0.2712 -0.2712 0.2259 0.2259 0.6069 0.6069 0.7204 0.7204 0.9199 0.9199 1.0693 1.0693 1.1678 1.1678 1.1961 1.1961 2.3256 2.3256 3.2476 3.2476 3.2905 3.2905 3.8004 3.8004 4.5335 4.5335 4.9442 4.9442 5.1860 5.1860 6.5150 6.5150 6.7463 6.7463 6.8663 6.8663 8.5326 8.5326 9.2349 9.2349 9.2823 9.2823 9.9319 9.9319 10.2480 10.2480 k = 0.2000 0.1521-0.0000 ( 5797 PWs) bands (ev): -5.2846 -5.2846 -3.5563 -3.5563 -3.3045 -3.3045 -3.2775 -3.2775 -1.2190 -1.2190 -0.9355 -0.9355 -0.7982 -0.7982 -0.5358 -0.5358 -0.2673 -0.2673 0.2067 0.2067 0.6188 0.6188 0.7175 0.7175 0.9233 0.9233 1.0654 1.0654 1.1567 1.1567 1.1981 1.1981 2.3657 2.3657 3.2738 3.2738 3.3175 3.3175 3.8125 3.8125 4.5787 4.5787 4.9845 4.9845 5.2245 5.2245 6.4117 6.4117 6.6823 6.6823 6.8072 6.8072 8.5370 8.5370 9.3157 9.3157 9.3450 9.3450 9.9023 9.9023 10.1874 10.1874 k = 0.2167 0.1647-0.0000 ( 5805 PWs) bands (ev): -5.2592 -5.2592 -3.6062 -3.6062 -3.3041 -3.3041 -3.2784 -3.2784 -1.2176 -1.2176 -0.9386 -0.9386 -0.7934 -0.7934 -0.5393 -0.5393 -0.2639 -0.2639 0.1869 0.1869 0.6297 0.6297 0.7154 0.7154 0.9272 0.9272 1.0621 1.0621 1.1457 1.1457 1.2005 1.2005 2.4080 2.4080 3.3017 3.3017 3.3460 3.3460 3.8237 3.8237 4.6260 4.6260 5.0262 5.0262 5.2641 5.2641 6.3118 6.3118 6.6179 6.6179 6.7475 6.7475 8.5444 8.5444 9.3718 9.3718 9.4100 9.4100 9.8911 9.8911 10.1166 10.1166 k = 0.2333 0.1774 0.0000 ( 5793 PWs) bands (ev): -5.2320 -5.2320 -3.6582 -3.6582 -3.3037 -3.3037 -3.2792 -3.2792 -1.2155 -1.2155 -0.9429 -0.9429 -0.7883 -0.7883 -0.5428 -0.5428 -0.2612 -0.2612 0.1667 0.1667 0.6387 0.6387 0.7153 0.7153 0.9315 0.9315 1.0592 1.0592 1.1351 1.1351 1.2033 1.2033 2.4524 2.4524 3.3312 3.3312 3.3760 3.3760 3.8334 3.8334 4.6749 4.6749 5.0689 5.0689 5.3042 5.3042 6.2159 6.2159 6.5539 6.5539 6.6880 6.6880 8.5548 8.5548 9.3965 9.3965 9.4764 9.4764 9.8991 9.8991 10.0449 10.0449 k = 0.2500 0.1901 0.0000 ( 5817 PWs) bands (ev): -5.2028 -5.2028 -3.7118 -3.7118 -3.3033 -3.3033 -3.2800 -3.2800 -1.2129 -1.2129 -0.9484 -0.9484 -0.7827 -0.7827 -0.5464 -0.5464 -0.2589 -0.2589 0.1459 0.1459 0.6447 0.6447 0.7178 0.7178 0.9360 0.9360 1.0568 1.0568 1.1251 1.1251 1.2065 1.2065 2.4989 2.4989 3.3621 3.3621 3.4072 3.4072 3.8410 3.8410 4.7251 4.7251 5.1120 5.1120 5.3439 5.3439 6.1246 6.1246 6.4912 6.4912 6.6294 6.6294 8.5683 8.5683 9.3909 9.3909 9.5447 9.5447 9.8894 9.8894 10.0054 10.0054 k = 0.2667 0.2028 0.0000 ( 5821 PWs) bands (ev): -5.1717 -5.1717 -3.7667 -3.7667 -3.3028 -3.3028 -3.2809 -3.2809 -1.2096 -1.2096 -0.9551 -0.9551 -0.7766 -0.7766 -0.5501 -0.5501 -0.2569 -0.2569 0.1248 0.1248 0.6479 0.6479 0.7229 0.7229 0.9407 0.9407 1.0549 1.0549 1.1158 1.1158 1.2099 1.2099 2.5475 2.5475 3.3942 3.3942 3.4392 3.4392 3.8459 3.8459 4.7762 4.7762 5.1549 5.1549 5.3825 5.3825 6.0383 6.0383 6.4308 6.4308 6.5728 6.5728 8.5847 8.5847 9.3643 9.3643 9.6140 9.6140 9.8215 9.8215 9.9494 9.9494 k = 0.2833 0.2154-0.0000 ( 5813 PWs) bands (ev): -5.1388 -5.1388 -3.8228 -3.8228 -3.3023 -3.3023 -3.2817 -3.2817 -1.2057 -1.2057 -0.9628 -0.9628 -0.7700 -0.7700 -0.5541 -0.5541 -0.2550 -0.2550 0.1033 0.1033 0.6489 0.6489 0.7294 0.7294 0.9456 0.9456 1.0535 1.0535 1.1076 1.1076 1.2133 1.2133 2.5981 2.5981 3.4272 3.4272 3.4719 3.4719 3.8474 3.8474 4.8275 4.8275 5.1967 5.1967 5.4190 5.4190 5.9575 5.9575 6.3738 6.3738 6.5189 6.5189 8.6042 8.6042 9.3258 9.3258 9.6808 9.6808 9.7366 9.7366 9.8666 9.8666 k = 0.3000 0.2281-0.0000 ( 5805 PWs) bands (ev): -5.1041 -5.1041 -3.8798 -3.8798 -3.3017 -3.3017 -3.2826 -3.2826 -1.2012 -1.2012 -0.9715 -0.9715 -0.7629 -0.7629 -0.5583 -0.5583 -0.2531 -0.2531 0.0815 0.0815 0.6490 0.6490 0.7357 0.7357 0.9507 0.9507 1.0525 1.0525 1.1009 1.1009 1.2166 1.2166 2.6507 2.6507 3.4607 3.4607 3.5048 3.5048 3.8447 3.8447 4.8786 4.8786 5.2367 5.2367 5.4521 5.4521 5.8826 5.8826 6.3212 6.3212 6.4686 6.4686 8.6265 8.6265 9.2817 9.2817 9.6425 9.6425 9.7348 9.7348 9.7976 9.7976 k = 0.3167 0.2408-0.0000 ( 5805 PWs) bands (ev): -5.0677 -5.0677 -3.9374 -3.9374 -3.3012 -3.3012 -3.2834 -3.2834 -1.1961 -1.1961 -0.9809 -0.9809 -0.7553 -0.7553 -0.5629 -0.5629 -0.2507 -0.2507 0.0595 0.0595 0.6490 0.6490 0.7409 0.7409 0.9558 0.9558 1.0516 1.0516 1.0964 1.0964 1.2195 1.2195 2.7053 2.7053 3.4945 3.4945 3.5377 3.5377 3.8372 3.8372 4.9291 4.9291 5.2740 5.2740 5.4805 5.4805 5.8142 5.8142 6.2745 6.2745 6.4226 6.4226 8.6514 8.6514 9.2356 9.2356 9.5546 9.5546 9.6763 9.6763 9.8076 9.8076 k = 0.3333 0.2534 0.0000 ( 5805 PWs) bands (ev): -5.0295 -5.0295 -3.9954 -3.9954 -3.3006 -3.3006 -3.2843 -3.2843 -1.1905 -1.1905 -0.9911 -0.9911 -0.7473 -0.7473 -0.5680 -0.5680 -0.2478 -0.2478 0.0375 0.0375 0.6493 0.6493 0.7442 0.7442 0.9608 0.9608 1.0500 1.0500 1.0950 1.0950 1.2219 1.2219 2.7618 2.7618 3.5282 3.5282 3.5701 3.5701 3.8244 3.8244 4.9783 4.9783 5.3080 5.3080 5.5028 5.5028 5.7525 5.7525 6.2349 6.2349 6.3819 6.3819 8.6786 8.6786 9.1898 9.1898 9.4694 9.4694 9.5912 9.5912 9.7467 9.7467 k = 0.3500 0.2661 0.0000 ( 5797 PWs) bands (ev): -4.9896 -4.9896 -4.0537 -4.0537 -3.2999 -3.2999 -3.2852 -3.2852 -1.1843 -1.1843 -1.0019 -1.0019 -0.7388 -0.7388 -0.5736 -0.5736 -0.2442 -0.2442 0.0155 0.0155 0.6502 0.6502 0.7454 0.7454 0.9656 0.9656 1.0472 1.0472 1.0974 1.0974 1.2236 1.2236 2.8202 2.8202 3.5613 3.5613 3.6015 3.6015 3.8059 3.8059 5.0260 5.0260 5.3378 5.3378 5.5176 5.5176 5.6979 5.6979 6.2036 6.2036 6.3469 6.3469 8.7077 8.7077 9.1456 9.1456 9.3890 9.3890 9.5067 9.5067 9.6701 9.6701 k = 0.3667 0.2788 0.0000 ( 5789 PWs) bands (ev): -4.9481 -4.9481 -4.1120 -4.1120 -3.2993 -3.2993 -3.2861 -3.2861 -1.1775 -1.1775 -1.0131 -1.0131 -0.7299 -0.7299 -0.5799 -0.5799 -0.2395 -0.2395 -0.0062 -0.0062 0.6520 0.6520 0.7445 0.7445 0.9700 0.9700 1.0430 1.0430 1.1034 1.1034 1.2245 1.2245 2.8803 2.8803 3.5932 3.5932 3.6315 3.6315 3.7814 3.7814 5.0716 5.0716 5.3630 5.3630 5.5237 5.5237 5.6509 5.6509 6.1815 6.1815 6.3179 6.3179 8.7381 8.7381 9.1041 9.1041 9.3145 9.3145 9.4255 9.4255 9.6004 9.6004 k = 0.3833 0.2915-0.0000 ( 5805 PWs) bands (ev): -4.9049 -4.9049 -4.1702 -4.1702 -3.2986 -3.2986 -3.2869 -3.2869 -1.1701 -1.1701 -1.0245 -1.0245 -0.7206 -0.7206 -0.5867 -0.5867 -0.2338 -0.2338 -0.0276 -0.0276 0.6547 0.6547 0.7417 0.7417 0.9741 0.9741 1.0380 1.0380 1.1122 1.1122 1.2243 1.2243 2.9419 2.9419 3.6233 3.6233 3.6595 3.6595 3.7513 3.7513 5.1147 5.1147 5.3832 5.3832 5.5202 5.5202 5.6122 5.6122 6.1684 6.1684 6.2948 6.2948 8.7686 8.7686 9.0658 9.0658 9.2473 9.2473 9.3492 9.3492 9.5411 9.5411 k = 0.4000 0.3041-0.0000 ( 5794 PWs) bands (ev): -4.8603 -4.8603 -4.2282 -4.2282 -3.2979 -3.2979 -3.2878 -3.2878 -1.1623 -1.1623 -1.0362 -1.0362 -0.7110 -0.7110 -0.5942 -0.5942 -0.2269 -0.2269 -0.0485 -0.0485 0.6582 0.6582 0.7372 0.7372 0.9779 0.9779 1.0327 1.0327 1.1227 1.1227 1.2231 1.2231 3.0049 3.0049 3.6496 3.6496 3.6848 3.6848 3.7169 3.7169 5.1550 5.1550 5.3985 5.3985 5.5075 5.5075 5.5823 5.5823 6.1637 6.1637 6.2771 6.2771 8.7983 8.7983 9.0314 9.0314 9.1883 9.1883 9.2788 9.2788 9.4942 9.4942 k = 0.4167 0.3168 0.0000 ( 5802 PWs) bands (ev): -4.8141 -4.8141 -4.2857 -4.2857 -3.2972 -3.2972 -3.2887 -3.2887 -1.1539 -1.1539 -1.0480 -1.0480 -0.7011 -0.7011 -0.6023 -0.6023 -0.2186 -0.2186 -0.0688 -0.0688 0.6626 0.6626 0.7315 0.7315 0.9817 0.9817 1.0272 1.0272 1.1343 1.1343 1.2206 1.2206 3.0689 3.0689 3.6565 3.6565 3.6932 3.6932 3.7075 3.7075 5.1923 5.1923 5.4084 5.4084 5.4890 5.4890 5.5595 5.5595 6.1658 6.1658 6.2637 6.2637 8.8257 8.8257 9.0011 9.0011 9.1382 9.1382 9.2156 9.2156 9.4616 9.4616 k = 0.4333 0.3295 0.0000 ( 5822 PWs) bands (ev): -4.7665 -4.7665 -4.3427 -4.3427 -3.2964 -3.2964 -3.2896 -3.2896 -1.1450 -1.1450 -1.0597 -1.0597 -0.6910 -0.6910 -0.6110 -0.6110 -0.2091 -0.2091 -0.0885 -0.0885 0.6678 0.6678 0.7249 0.7249 0.9855 0.9855 1.0218 1.0218 1.1463 1.1463 1.2170 1.2170 3.1336 3.1336 3.6179 3.6179 3.7073 3.7073 3.7260 3.7260 5.2266 5.2266 5.4111 5.4111 5.4717 5.4717 5.5407 5.5407 6.1729 6.1729 6.2533 6.2533 8.8496 8.8496 8.9752 8.9752 9.0978 9.0978 9.1605 9.1605 9.4451 9.4451 k = 0.4500 0.3422 0.0000 ( 5818 PWs) bands (ev): -4.7175 -4.7175 -4.3991 -4.3991 -3.2956 -3.2956 -3.2905 -3.2905 -1.1357 -1.1357 -1.0714 -1.0714 -0.6808 -0.6808 -0.6201 -0.6201 -0.1982 -0.1982 -0.1073 -0.1073 0.6737 0.6737 0.7177 0.7177 0.9893 0.9893 1.0165 1.0165 1.1581 1.1581 1.2121 1.2121 3.1987 3.1987 3.5672 3.5672 3.7250 3.7250 3.7404 3.7404 5.2580 5.2580 5.4026 5.4026 5.4636 5.4636 5.5239 5.5239 6.1831 6.1831 6.2446 6.2446 8.8691 8.8691 8.9535 8.9535 9.0676 9.0676 9.1146 9.1146 9.4456 9.4456 k = 0.4667 0.3548 0.0000 ( 5818 PWs) bands (ev): -4.6672 -4.6672 -4.4547 -4.4547 -3.2948 -3.2948 -3.2914 -3.2914 -1.1259 -1.1259 -1.0828 -1.0828 -0.6704 -0.6704 -0.6297 -0.6297 -0.1860 -0.1860 -0.1252 -0.1252 0.6802 0.6802 0.7100 0.7100 0.9933 0.9933 1.0114 1.0114 1.1695 1.1695 1.2059 1.2059 3.2637 3.2637 3.5117 3.5117 3.7395 3.7395 3.7502 3.7502 5.2867 5.2867 5.3845 5.3845 5.4654 5.4654 5.5086 5.5086 6.1947 6.1947 6.2362 6.2362 8.8846 8.8846 8.9359 8.9359 9.0477 9.0477 9.0789 9.0789 9.4629 9.4629 k = 0.4833 0.3675-0.0000 ( 5798 PWs) bands (ev): -4.6157 -4.6157 -4.5094 -4.5094 -3.2940 -3.2940 -3.2923 -3.2923 -1.1156 -1.1156 -1.0941 -1.0941 -0.6600 -0.6600 -0.6396 -0.6396 -0.1726 -0.1726 -0.1421 -0.1421 0.6872 0.6872 0.7023 0.7023 0.9975 0.9975 1.0065 1.0065 1.1802 1.1802 1.1985 1.1985 3.3282 3.3282 3.4529 3.4529 3.7496 3.7496 3.7551 3.7551 5.3133 5.3133 5.3623 5.3623 5.4725 5.4725 5.4947 5.4947 6.2065 6.2065 6.2274 6.2274 8.8974 8.8974 8.9214 8.9214 9.0386 9.0386 9.0540 9.0540 9.4956 9.4956 k = 0.5000 0.3802 0.0000 ( 5798 PWs) bands (ev): -4.5631 -4.5631 -4.5631 -4.5631 -3.2931 -3.2931 -3.2931 -3.2931 -1.1050 -1.1050 -1.1050 -1.1050 -0.6497 -0.6497 -0.6497 -0.6497 -0.1579 -0.1579 -0.1579 -0.1579 0.6946 0.6946 0.6947 0.6947 1.0019 1.0019 1.0019 1.0019 1.1899 1.1899 1.1899 1.1899 3.3914 3.3914 3.3914 3.3914 3.7549 3.7549 3.7549 3.7549 5.3384 5.3384 5.3384 5.3384 5.4826 5.4826 5.4826 5.4826 6.2175 6.2175 6.2175 6.2175 8.9091 8.9091 8.9091 8.9091 9.0406 9.0406 9.0406 9.0406 9.5415 9.5415 k = 0.5000 0.3802 0.0000 ( 5798 PWs) bands (ev): -4.5631 -4.5631 -4.5631 -4.5631 -3.2931 -3.2931 -3.2931 -3.2931 -1.1050 -1.1050 -1.1050 -1.1050 -0.6497 -0.6497 -0.6497 -0.6497 -0.1579 -0.1579 -0.1579 -0.1579 0.6946 0.6946 0.6947 0.6947 1.0019 1.0019 1.0019 1.0019 1.1899 1.1899 1.1899 1.1899 3.3914 3.3914 3.3914 3.3914 3.7549 3.7549 3.7549 3.7549 5.3384 5.3384 5.3384 5.3384 5.4826 5.4826 5.4826 5.4826 6.2175 6.2175 6.2175 6.2175 8.9091 8.9091 8.9091 8.9091 9.0406 9.0406 9.0406 9.0406 9.5415 9.5415 k = 0.4911 0.3919 0.0147 ( 5806 PWs) bands (ev): -4.5630 -4.5625 -4.5623 -4.5621 -3.2963 -3.2945 -3.2941 -3.2917 -1.1104 -1.1082 -1.1015 -1.0999 -0.6619 -0.6532 -0.6509 -0.6392 -0.1678 -0.1636 -0.1472 -0.1444 0.6751 0.6859 0.7042 0.7144 0.9882 1.0006 1.0024 1.0182 1.1657 1.1852 1.1948 1.2172 3.3853 3.3862 3.3887 3.3899 3.7531 3.7553 3.7574 3.7601 5.2818 5.3268 5.3477 5.3887 5.4301 5.4797 5.4825 5.5364 6.2017 6.2132 6.2155 6.2360 8.8848 8.8964 8.9175 8.9226 9.0328 9.0373 9.0627 9.0689 9.5415 9.5482 k = 0.4822 0.4035 0.0294 ( 5814 PWs) bands (ev): -4.5620 -4.5608 -4.5603 -4.5595 -3.3033 -3.2991 -3.2959 -3.2903 -1.1160 -1.1108 -1.0978 -1.0950 -0.6760 -0.6600 -0.6571 -0.6299 -0.1743 -0.1649 -0.1310 -0.1273 0.6562 0.6781 0.7145 0.7336 0.9767 0.9987 1.0023 1.0374 1.1450 1.1811 1.1998 1.2477 3.3717 3.3737 3.3781 3.3807 3.7518 3.7591 3.7628 3.7707 5.2228 5.3133 5.3545 5.3647 5.4376 5.4778 5.4839 5.5893 6.1816 6.2043 6.2103 6.2595 8.8538 8.8753 8.9262 8.9434 9.0331 9.0396 9.1091 9.1145 9.5516 9.5676 k = 0.4733 0.4152 0.0440 ( 5812 PWs) bands (ev): -4.5601 -4.5583 -4.5565 -4.5554 -3.3143 -3.3080 -3.2972 -3.2888 -1.1219 -1.1129 -1.0940 -1.0903 -0.6924 -0.6690 -0.6678 -0.6215 -0.1777 -0.1629 -0.1098 -0.1070 0.6383 0.6712 0.7253 0.7515 0.9669 0.9962 1.0015 1.0574 1.1295 1.1787 1.2047 1.2817 3.3513 3.3547 3.3602 3.3644 3.7510 3.7625 3.7740 3.7858 5.1620 5.2977 5.3056 5.3584 5.4397 5.4679 5.5213 5.6417 6.1528 6.1837 6.2139 6.2884 8.8254 8.8517 8.9446 8.9721 9.0362 9.0449 9.1686 9.1688 9.5721 9.5973 k = 0.4645 0.4269 0.0587 ( 5808 PWs) bands (ev): -4.5575 -4.5551 -4.5512 -4.5496 -3.3290 -3.3209 -3.2985 -3.2874 -1.1280 -1.1143 -1.0903 -1.0857 -0.7107 -0.6821 -0.6788 -0.6141 -0.1784 -0.1586 -0.0845 -0.0842 0.6218 0.6653 0.7366 0.7676 0.9583 0.9931 1.0000 1.0703 1.1250 1.1810 1.2096 1.3195 3.3245 3.3301 3.3360 3.3416 3.7506 3.7660 3.7895 3.8043 5.0994 5.2433 5.2801 5.3589 5.4241 5.4526 5.5727 5.6940 6.1156 6.1546 6.2247 6.3222 8.8030 8.8312 8.9728 9.0080 9.0425 9.0535 9.2275 9.2336 9.6040 9.6366 k = 0.4556 0.4386 0.0734 ( 5802 PWs) bands (ev): -4.5541 -4.5511 -4.5443 -4.5423 -3.3472 -3.3374 -3.2997 -3.2859 -1.1342 -1.1149 -1.0870 -1.0813 -0.7303 -0.6985 -0.6890 -0.6075 -0.1766 -0.1526 -0.0596 -0.0563 0.6067 0.6605 0.7479 0.7814 0.9504 0.9893 0.9979 1.0673 1.1327 1.1961 1.2143 1.3614 3.2920 3.3004 3.3063 3.3134 3.7505 3.7696 3.8082 3.8253 5.0352 5.1788 5.2604 5.3553 5.4021 5.4322 5.6261 5.7463 6.0714 6.1180 6.2424 6.3604 8.7871 8.8157 9.0095 9.0486 9.0526 9.0679 9.2878 9.2994 9.6486 9.6856 k = 0.4467 0.4503 0.0881 ( 5802 PWs) bands (ev): -4.5501 -4.5464 -4.5359 -4.5335 -3.3687 -3.3574 -3.3009 -3.2845 -1.1406 -1.1148 -1.0840 -1.0771 -0.7503 -0.7161 -0.6992 -0.6016 -0.1726 -0.1456 -0.0340 -0.0264 0.5931 0.6567 0.7589 0.7931 0.9430 0.9850 0.9954 1.0566 1.1373 1.2189 1.2314 1.4077 3.2543 3.2654 3.2725 3.2816 3.7506 3.7733 3.8292 3.8481 4.9697 5.1124 5.2385 5.3468 5.3756 5.4076 5.6793 5.7981 6.0224 6.0759 6.2665 6.4025 8.7776 8.8055 9.0519 9.0697 9.0779 9.1037 9.3482 9.3628 9.7069 9.7440 k = 0.4378 0.4620 0.1028 ( 5802 PWs) bands (ev): -4.5454 -4.5412 -4.5259 -4.5231 -3.3932 -3.3806 -3.3020 -3.2830 -1.1469 -1.1138 -1.0816 -1.0731 -0.7701 -0.7336 -0.7094 -0.5963 -0.1666 -0.1380 -0.0080 0.0040 0.5811 0.6540 0.7689 0.8032 0.9359 0.9802 0.9925 1.0443 1.1371 1.2234 1.2823 1.4589 3.2119 3.2252 3.2354 3.2475 3.7508 3.7770 3.8519 3.8721 4.9031 5.0447 5.2141 5.3309 5.3455 5.3815 5.7302 5.8452 5.9741 6.0314 6.2964 6.4478 8.7735 8.8002 9.0824 9.1013 9.1105 9.1553 9.4074 9.4217 9.7793 9.8105 k = 0.4289 0.4737 0.1175 ( 5798 PWs) bands (ev): -4.5403 -4.5355 -4.5144 -4.5111 -3.4203 -3.4067 -3.3030 -3.2816 -1.1532 -1.1120 -1.0799 -1.0693 -0.7892 -0.7504 -0.7193 -0.5916 -0.1590 -0.1303 0.0178 0.0340 0.5706 0.6523 0.7768 0.8125 0.9287 0.9750 0.9898 1.0322 1.1350 1.2279 1.3437 1.5150 3.1654 3.1802 3.1957 3.2120 3.7510 3.7804 3.8757 3.8969 4.8357 4.9760 5.1865 5.3036 5.3128 5.3586 5.7737 5.8608 5.9546 5.9905 6.3313 6.4959 8.7738 8.7991 9.1087 9.1300 9.1668 9.2110 9.4652 9.4758 9.8643 9.8835 k = 0.4200 0.4854 0.1321 ( 5790 PWs) bands (ev): -4.5348 -4.5296 -4.5014 -4.4977 -3.4497 -3.4353 -3.3039 -3.2801 -1.1593 -1.1093 -1.0791 -1.0658 -0.8073 -0.7659 -0.7290 -0.5871 -0.1498 -0.1227 0.0433 0.0628 0.5617 0.6517 0.7815 0.8221 0.9213 0.9695 0.9876 1.0205 1.1326 1.2323 1.4133 1.5762 3.1154 3.1312 3.1541 3.1752 3.7508 3.7834 3.9003 3.9221 4.7680 4.9067 5.1545 5.2644 5.2795 5.3405 5.7954 5.8182 5.9687 5.9913 6.3706 6.5461 8.7776 8.8015 9.1402 9.1650 9.2279 9.2688 9.5213 9.5258 9.9591 9.9607 k = 0.4111 0.4970 0.1468 ( 5790 PWs) bands (ev): -4.5292 -4.5235 -4.4869 -4.4828 -3.4809 -3.4660 -3.3048 -3.2787 -1.1651 -1.1057 -1.0792 -1.0624 -0.8241 -0.7797 -0.7384 -0.5828 -0.1394 -0.1155 0.0680 0.0898 0.5542 0.6522 0.7827 0.8324 0.9135 0.9637 0.9865 1.0094 1.1304 1.2368 1.4899 1.6428 3.0626 3.0790 3.1108 3.1376 3.7500 3.7857 3.9252 3.9473 4.7002 4.8374 5.1167 5.2165 5.2476 5.3250 5.7584 5.7788 5.9835 6.0444 6.4134 6.5977 8.7841 8.8067 9.1777 9.2063 9.2914 9.3268 9.5728 9.5758 10.0394 10.0593 k = 0.4022 0.5087 0.1615 ( 5786 PWs) bands (ev): -4.5236 -4.5174 -4.4709 -4.4664 -3.5134 -3.4984 -3.3055 -3.2772 -1.1705 -1.1011 -1.0802 -1.0592 -0.8395 -0.7916 -0.7475 -0.5784 -0.1281 -0.1090 0.0919 0.1147 0.5483 0.6535 0.7805 0.8430 0.9051 0.9579 0.9870 0.9987 1.1285 1.2412 1.5727 1.7146 3.0076 3.0242 3.0663 3.0993 3.7485 3.7871 3.9501 3.9721 4.6328 4.7683 5.0719 5.1623 5.2192 5.3112 5.6950 5.7354 6.0242 6.1006 6.4588 6.6501 8.7926 8.8143 9.2208 9.2535 9.3549 9.3834 9.6174 9.6283 10.1174 10.1572 k = 0.3934 0.5204 0.1762 ( 5780 PWs) bands (ev): -4.5183 -4.5118 -4.4536 -4.4486 -3.5468 -3.5318 -3.3062 -3.2757 -1.1754 -1.0957 -1.0823 -1.0560 -0.8537 -0.8016 -0.7562 -0.5739 -0.1161 -0.1035 0.1148 0.1371 0.5438 0.6559 0.7756 0.8535 0.8960 0.9522 0.9884 0.9896 1.1271 1.2457 1.6610 1.7915 2.9508 2.9674 3.0209 3.0605 3.7460 3.7874 3.9745 3.9961 4.5662 4.7000 5.0201 5.1030 5.1953 5.2989 5.6313 5.6825 6.0742 6.1573 6.5061 6.7025 8.8028 8.8238 9.2687 9.3054 9.4160 9.4366 9.6601 9.6781 10.1927 10.2426 k = 0.3845 0.5321 0.1909 ( 5780 PWs) bands (ev): -4.5136 -4.5068 -4.4348 -4.4294 -3.5805 -3.5658 -3.3067 -3.2743 -1.1797 -1.0894 -1.0851 -1.0529 -0.8665 -0.8101 -0.7644 -0.5689 -0.1036 -0.0992 0.1366 0.1571 0.5408 0.6590 0.7684 0.8635 0.8860 0.9467 0.9785 0.9943 1.1263 1.2502 1.7541 1.8734 2.8929 2.9092 2.9748 3.0214 3.7423 3.7864 3.9978 4.0188 4.5009 4.6329 4.9620 5.0395 5.1759 5.2885 5.5692 5.6276 6.1269 6.2132 6.5543 6.7541 8.8145 8.8352 9.3204 9.3607 9.4720 9.4846 9.7011 9.7245 10.2652 10.3131 k = 0.3756 0.5438 0.2056 ( 5780 PWs) bands (ev): -4.5098 -4.5028 -4.4147 -4.4088 -3.6139 -3.5997 -3.3070 -3.2728 -1.1834 -1.0885 -1.0823 -1.0498 -0.8781 -0.8172 -0.7722 -0.5634 -0.0963 -0.0910 0.1573 0.1747 0.5392 0.6629 0.7597 0.8727 0.8753 0.9415 0.9693 1.0011 1.1259 1.2548 1.8516 1.9600 2.8342 2.8501 2.9283 2.9822 3.7371 3.7838 4.0194 4.0396 4.4373 4.5672 4.8990 4.9726 5.1607 5.2801 5.5102 5.5741 6.1796 6.2673 6.6026 6.8042 8.8277 8.8482 9.3747 9.4177 9.5202 9.5258 9.7406 9.7662 10.3363 10.3746 k = 0.3667 0.5555 0.2202 ( 5770 PWs) bands (ev): -4.5073 -4.5004 -4.3932 -4.3869 -3.6462 -3.6329 -3.3073 -3.2713 -1.1863 -1.0923 -1.0743 -1.0467 -0.8885 -0.8233 -0.7794 -0.5572 -0.0950 -0.0785 0.1768 0.1898 0.5391 0.6674 0.7500 0.8639 0.8806 0.9366 0.9611 1.0099 1.1261 1.2595 1.9529 2.0508 2.7753 2.7904 2.8817 2.9430 3.7304 3.7794 4.0384 4.0580 4.3761 4.5034 4.8320 4.9029 5.1493 5.2734 5.4563 5.5243 6.2308 6.3188 6.6501 6.8519 8.8424 8.8629 9.4299 9.4743 9.5586 9.5593 9.7786 9.8028 10.4090 10.4354 k = 0.3578 0.5672 0.2349 ( 5774 PWs) bands (ev): -4.5066 -4.4998 -4.3705 -4.3636 -3.6769 -3.6646 -3.3073 -3.2698 -1.1884 -1.0963 -1.0655 -1.0435 -0.8979 -0.8288 -0.7861 -0.5504 -0.0956 -0.0664 0.1949 0.2028 0.5402 0.6725 0.7399 0.8517 0.8866 0.9322 0.9547 1.0203 1.1268 1.2641 2.0573 2.1452 2.7167 2.7307 2.8350 2.9039 3.7219 3.7731 4.0535 4.0732 4.3183 4.4418 4.7619 4.8312 5.1414 5.2672 5.4099 5.4799 6.2795 6.3670 6.6961 6.8962 8.8586 8.8791 9.4844 9.5278 9.5849 9.5865 9.8155 9.8345 10.4866 10.5023 k = 0.3489 0.5789 0.2496 ( 5774 PWs) bands (ev): -4.5082 -4.5017 -4.3465 -4.3392 -3.7051 -3.6943 -3.3073 -3.2682 -1.1897 -1.1000 -1.0560 -1.0403 -0.9063 -0.8340 -0.7921 -0.5428 -0.0983 -0.0548 0.2115 0.2138 0.5427 0.6779 0.7299 0.8392 0.8898 0.9282 0.9514 1.0317 1.1281 1.2688 2.1639 2.2423 2.6594 2.6716 2.7886 2.8652 3.7117 3.7648 4.0628 4.0846 4.2655 4.3827 4.6896 4.7580 5.1365 5.2588 5.3754 5.4425 6.3249 6.4108 6.7396 6.9363 8.8764 8.8970 9.5365 9.5741 9.6050 9.6052 9.8516 9.8631 10.5713 10.5784 k = 0.3400 0.5906 0.2643 ( 5788 PWs) bands (ev): -4.5126 -4.5065 -4.3214 -4.3135 -3.7303 -3.7211 -3.3070 -3.2666 -1.1902 -1.1035 -1.0459 -1.0371 -0.9137 -0.8391 -0.7975 -0.5344 -0.1032 -0.0440 0.2229 0.2264 0.5464 0.6836 0.7204 0.8264 0.8891 0.9246 0.9525 1.0438 1.1300 1.2734 2.2710 2.3392 2.6060 2.6144 2.7427 2.8271 3.6997 3.7543 4.0629 4.0914 4.2206 4.3266 4.6156 4.6840 5.1344 5.2445 5.3575 5.4136 6.3662 6.4495 6.7799 6.9713 8.8955 8.9163 9.5843 9.6017 9.6163 9.6298 9.8876 9.8918 10.6641 10.6642 k = 0.3312 0.6022 0.2790 ( 5788 PWs) bands (ev): -4.5201 -4.5147 -4.2950 -4.2866 -3.7517 -3.7444 -3.3066 -3.2650 -1.1899 -1.1065 -1.0352 -1.0338 -0.9204 -0.8444 -0.8020 -0.5255 -0.1105 -0.0340 0.2304 0.2396 0.5512 0.6893 0.7121 0.8138 0.8845 0.9216 0.9580 1.0563 1.1326 1.2780 2.3726 2.4230 2.5643 2.5691 2.6974 2.7903 3.6860 3.7417 4.0499 4.0932 4.1872 4.2738 4.5406 4.6096 5.1346 5.2252 5.3562 5.3942 6.4028 6.4823 6.8162 7.0005 8.9161 8.9370 9.6114 9.6227 9.6269 9.6580 9.9236 9.9245 10.7586 10.7651 k = 0.3223 0.6139 0.2937 ( 5788 PWs) bands (ev): -4.5312 -4.5267 -4.2676 -4.2587 -3.7689 -3.7637 -3.3060 -3.2634 -1.1888 -1.1089 -1.0304 -1.0242 -0.9261 -0.8499 -0.8057 -0.5160 -0.1202 -0.0250 0.2364 0.2510 0.5569 0.6946 0.7050 0.8017 0.8772 0.9191 0.9669 1.0687 1.1359 1.2824 2.4329 2.4389 2.5544 2.6027 2.6538 2.7575 3.6706 3.7270 4.0232 4.0894 4.1659 4.2247 4.4650 4.5354 5.1370 5.2060 5.3669 5.3851 6.4340 6.5083 6.8479 7.0232 8.9378 8.9589 9.6156 9.6287 9.6620 9.6793 9.9604 9.9629 10.8597 10.8731 k = 0.3223 0.6139 0.2937 ( 5788 PWs) bands (ev): -4.5312 -4.5267 -4.2676 -4.2587 -3.7689 -3.7637 -3.3060 -3.2634 -1.1888 -1.1089 -1.0304 -1.0242 -0.9261 -0.8499 -0.8057 -0.5160 -0.1202 -0.0250 0.2364 0.2510 0.5569 0.6946 0.7050 0.8017 0.8772 0.9191 0.9669 1.0687 1.1359 1.2824 2.4329 2.4389 2.5544 2.6027 2.6538 2.7575 3.6706 3.7270 4.0232 4.0894 4.1659 4.2247 4.4650 4.5354 5.1370 5.2060 5.3669 5.3851 6.4340 6.5083 6.8479 7.0232 8.9378 8.9589 9.6156 9.6287 9.6620 9.6793 9.9604 9.9629 10.8597 10.8731 k = 0.3033 0.6083 0.3007 ( 5781 PWs) bands (ev): -4.5407 -4.5365 -4.2519 -4.2428 -3.7742 -3.7701 -3.3060 -3.2629 -1.1878 -1.1097 -1.0285 -1.0192 -0.9286 -0.8524 -0.8073 -0.5116 -0.1271 -0.0203 0.2384 0.2562 0.5604 0.6969 0.7024 0.7960 0.8723 0.9187 0.9728 1.0745 1.1380 1.2852 2.3985 2.4370 2.5804 2.6343 2.6517 2.7515 3.6578 3.7156 3.9931 4.0838 4.1536 4.2154 4.4383 4.5072 5.1384 5.2003 5.3727 5.3849 6.4387 6.5145 6.8656 7.0331 8.9517 8.9742 9.6141 9.6279 9.6753 9.6859 9.9853 9.9889 10.8920 10.9464 k = 0.2844 0.6027 0.3077 ( 5779 PWs) bands (ev): -4.5547 -4.5509 -4.2337 -4.2246 -3.7755 -3.7722 -3.3064 -3.2630 -1.1863 -1.1102 -1.0260 -1.0149 -0.9308 -0.8545 -0.8088 -0.5081 -0.1361 -0.0148 0.2398 0.2611 0.5648 0.6980 0.7012 0.7904 0.8653 0.9196 0.9804 1.0801 1.1407 1.2899 2.3477 2.4127 2.6173 2.6431 2.6867 2.7598 3.6355 3.6968 3.9456 4.0509 4.1519 4.2207 4.4343 4.4954 5.1395 5.1997 5.3742 5.3879 6.4288 6.5116 6.8883 7.0425 8.9721 8.9982 9.6087 9.6222 9.6828 9.6902 10.0215 10.0290 10.9195 11.0295 k = 0.2654 0.5972 0.3147 ( 5788 PWs) bands (ev): -4.5711 -4.5676 -4.2158 -4.2070 -3.7725 -3.7694 -3.3074 -3.2637 -1.1841 -1.1104 -1.0229 -1.0114 -0.9329 -0.8563 -0.8103 -0.5058 -0.1462 -0.0095 0.2407 0.2653 0.5698 0.6970 0.7017 0.7859 0.8570 0.9217 0.9892 1.0855 1.1440 1.2968 2.2931 2.3766 2.6523 2.6565 2.7204 2.7815 3.6050 3.6717 3.8905 3.9896 4.1671 4.2284 4.4509 4.5012 5.1400 5.2029 5.3728 5.3920 6.4090 6.4997 6.9116 7.0486 8.9993 9.0299 9.6017 9.6146 9.6850 9.6948 10.0683 10.0812 10.9467 11.1170 k = 0.2464 0.5916 0.3217 ( 5793 PWs) bands (ev): -4.5884 -4.5853 -4.1999 -4.1917 -3.7653 -3.7611 -3.3091 -3.2653 -1.1813 -1.1102 -1.0192 -1.0086 -0.9349 -0.8579 -0.8116 -0.5055 -0.1561 -0.0050 0.2415 0.2686 0.5750 0.6959 0.7013 0.7839 0.8479 0.9247 0.9988 1.0912 1.1482 1.3062 2.2384 2.3363 2.6663 2.6878 2.7494 2.8131 3.5686 3.6421 3.8311 3.9159 4.1885 4.2385 4.4807 4.5229 5.1392 5.2089 5.3701 5.3962 6.3827 6.4802 6.9315 7.0495 9.0330 9.0685 9.5947 9.6074 9.6857 9.6998 10.1248 10.1432 10.9735 11.2039 k = 0.2275 0.5860 0.3288 ( 5798 PWs) bands (ev): -4.6058 -4.6030 -4.1872 -4.1796 -3.7535 -3.7475 -3.3115 -3.2677 -1.1778 -1.1099 -1.0153 -1.0062 -0.9367 -0.8596 -0.8127 -0.5076 -0.1647 -0.0018 0.2421 0.2709 0.5797 0.6948 0.6987 0.7854 0.8386 0.9283 1.0085 1.0975 1.1534 1.3182 2.1853 2.2948 2.6801 2.7121 2.7784 2.8477 3.5286 3.6097 3.7701 3.8372 4.2129 4.2525 4.5183 4.5571 5.1361 5.2159 5.3673 5.4011 6.3522 6.4548 6.9451 7.0437 9.0731 9.1127 9.5892 9.6016 9.6880 9.7059 10.1896 10.2134 10.9997 11.2275 k = 0.2085 0.5804 0.3358 ( 5791 PWs) bands (ev): -4.6227 -4.6201 -4.1779 -4.1711 -3.7374 -3.7292 -3.3147 -3.2710 -1.1737 -1.1093 -1.0114 -1.0038 -0.9383 -0.8616 -0.8134 -0.5128 -0.1713 -0.0002 0.2427 0.2724 0.5837 0.6909 0.6965 0.7904 0.8300 0.9322 1.0175 1.1045 1.1606 1.3329 2.1343 2.2532 2.6940 2.7300 2.8079 2.8807 3.4868 3.5763 3.7097 3.7577 4.2393 4.2703 4.5610 4.5994 5.1300 5.2221 5.3657 5.4078 6.3189 6.4247 6.9504 7.0312 9.1190 9.1614 9.5858 9.5974 9.6938 9.7142 10.2618 10.2906 11.0249 11.2418 k = 0.1896 0.5748 0.3428 ( 5794 PWs) bands (ev): -4.6387 -4.6364 -4.1717 -4.1658 -3.7177 -3.7072 -3.3186 -3.2753 -1.1690 -1.1085 -1.0085 -1.0007 -0.9395 -0.8639 -0.8135 -0.5215 -0.1751 -0.0004 0.2432 0.2730 0.5867 0.6830 0.6967 0.7962 0.8245 0.9363 1.0254 1.1114 1.1713 1.3502 2.0856 2.2119 2.7075 2.7438 2.8360 2.9104 3.4451 3.5429 3.6519 3.6800 4.2670 4.2916 4.6077 4.6464 5.1201 5.2251 5.3674 5.4171 6.2838 6.3912 6.9466 7.0123 9.1702 9.2135 9.5842 9.5944 9.7046 9.7257 10.3403 10.3739 11.0486 11.2513 k = 0.1706 0.5692 0.3498 ( 5793 PWs) bands (ev): -4.6535 -4.6515 -4.1683 -4.1632 -3.6951 -3.6823 -3.3235 -3.2807 -1.1637 -1.1076 -1.0068 -0.9966 -0.9402 -0.8668 -0.8129 -0.5337 -0.1759 -0.0023 0.2439 0.2728 0.5888 0.6734 0.6977 0.7962 0.8276 0.9403 1.0319 1.1166 1.1873 1.3699 2.0394 2.1709 2.7202 2.7551 2.8613 2.9357 3.4046 3.5103 3.5979 3.6065 4.2956 4.3155 4.6571 4.6958 5.1064 5.2232 5.3741 5.4294 6.2480 6.3550 6.9335 6.9881 9.2259 9.2678 9.5837 9.5921 9.7212 9.7405 10.4240 10.4624 11.0704 11.2559 k = 0.1517 0.5636 0.3569 ( 5793 PWs) bands (ev): -4.6671 -4.6653 -4.1670 -4.1627 -3.6706 -3.6557 -3.3293 -3.2873 -1.1580 -1.1067 -1.0059 -0.9924 -0.9400 -0.8703 -0.8112 -0.5494 -0.1734 -0.0061 0.2446 0.2721 0.5901 0.6631 0.6993 0.7899 0.8389 0.9439 1.0375 1.1194 1.2094 1.3915 1.9955 2.1301 2.7317 2.7643 2.8834 2.9564 3.3667 3.4786 3.5382 3.5503 4.3245 4.3413 4.7075 4.7460 5.0891 5.2159 5.3863 5.4444 6.2123 6.3171 6.9120 6.9602 9.2850 9.3232 9.5836 9.5902 9.7431 9.7583 10.5120 10.5553 11.0897 11.2555 k = 0.1327 0.5580 0.3639 ( 5789 PWs) bands (ev): -4.6793 -4.6777 -4.1671 -4.1635 -3.6451 -3.6283 -3.3358 -3.2951 -1.1519 -1.1059 -1.0054 -0.9887 -0.9388 -0.8742 -0.8081 -0.5681 -0.1681 -0.0117 0.2455 0.2709 0.5908 0.6528 0.7014 0.7817 0.8530 0.9469 1.0425 1.1198 1.2368 1.4145 1.9541 2.0895 2.7418 2.7718 2.9021 2.9721 3.3323 3.4448 3.4816 3.5076 4.3533 4.3681 4.7569 4.7962 5.0690 5.2044 5.4032 5.4615 6.1777 6.2782 6.8843 6.9295 9.3463 9.3786 9.5840 9.5887 9.7672 9.7793 10.6029 10.6513 11.1058 11.2499 k = 0.1137 0.5524 0.3709 ( 5803 PWs) bands (ev): -4.6899 -4.6886 -4.1681 -4.1652 -3.6195 -3.6011 -3.3432 -3.3040 -1.1456 -1.1053 -1.0048 -0.9862 -0.9364 -0.8787 -0.8034 -0.5892 -0.1603 -0.0190 0.2466 0.2693 0.5914 0.6430 0.7041 0.7733 0.8677 0.9491 1.0474 1.1184 1.2686 1.4382 1.9155 2.0489 2.7503 2.7774 2.9179 2.9831 3.3022 3.4027 3.4435 3.4714 4.3814 4.3950 4.8023 4.8463 5.0470 5.1907 5.4231 5.4793 6.1453 6.2391 6.8532 6.8970 9.4079 9.4323 9.5853 9.5882 9.7885 9.8043 10.6952 10.7491 11.1182 11.2389 k = 0.0948 0.5468 0.3779 ( 5799 PWs) bands (ev): -4.6990 -4.6979 -4.1696 -4.1672 -3.5945 -3.5750 -3.3510 -3.3141 -1.1392 -1.1050 -1.0041 -0.9851 -0.9328 -0.8834 -0.7967 -0.6118 -0.1506 -0.0277 0.2479 0.2675 0.5919 0.6338 0.7072 0.7649 0.8820 0.9502 1.0528 1.1155 1.3034 1.4611 1.8806 2.0085 2.7572 2.7812 2.9311 2.9897 3.2773 3.3583 3.4189 3.4414 4.4082 4.4208 4.8412 4.8961 5.0242 5.1764 5.4446 5.4967 6.1163 6.2009 6.8219 6.8637 9.4666 9.4819 9.5890 9.5902 9.8058 9.8301 10.7873 10.8469 11.1271 11.2228 k = 0.0758 0.5412 0.3850 ( 5797 PWs) bands (ev): -4.7064 -4.7056 -4.1713 -4.1694 -3.5707 -3.5512 -3.3589 -3.3252 -1.1330 -1.1052 -1.0031 -0.9854 -0.9283 -0.8884 -0.7875 -0.6354 -0.1393 -0.0378 0.2494 0.2654 0.5927 0.6255 0.7108 0.7570 0.8952 0.9499 1.0587 1.1114 1.3401 1.4811 1.8510 1.9687 2.7627 2.7832 2.9424 2.9922 3.2578 3.3194 3.4006 3.4174 4.4330 4.4444 4.8719 4.9445 5.0019 5.1626 5.4661 5.5120 6.0920 6.1647 6.7933 6.8312 9.5156 9.5218 9.5974 9.6012 9.8194 9.8517 10.8763 10.9423 11.1338 11.2026 k = 0.0569 0.5357 0.3920 ( 5797 PWs) bands (ev): -4.7123 -4.7116 -4.1727 -4.1714 -3.5491 -3.5308 -3.3659 -3.3370 -1.1271 -1.1060 -1.0017 -0.9868 -0.9234 -0.8935 -0.7759 -0.6591 -0.1269 -0.0490 0.2511 0.2633 0.5940 0.6182 0.7148 0.7495 0.9072 0.9483 1.0652 1.1062 1.3773 1.4954 1.8293 1.9302 2.7672 2.7835 2.9522 2.9915 3.2440 3.2880 3.3870 3.3990 4.4547 4.4642 4.8944 4.9791 4.9919 5.1492 5.4865 5.5239 6.0739 6.1317 6.7699 6.8015 9.5437 9.5451 9.6183 9.6266 9.8295 9.8659 10.9579 11.0322 11.1423 11.1802 k = 0.0379 0.5301 0.3990 ( 5798 PWs) bands (ev): -4.7164 -4.7160 -4.1738 -4.1729 -3.5305 -3.5156 -3.3708 -3.3488 -1.1216 -1.1075 -0.9997 -0.9890 -0.9184 -0.8985 -0.7616 -0.6825 -0.1139 -0.0611 0.2529 0.2612 0.5959 0.6118 0.7194 0.7425 0.9178 0.9451 1.0722 1.1003 1.4136 1.5002 1.8186 1.8941 2.7709 2.7824 2.9610 2.9881 3.2360 3.2641 3.3780 3.3857 4.4721 4.4791 4.9103 4.9617 5.0318 5.1351 5.5045 5.5311 6.0631 6.1035 6.7536 6.7764 9.5533 9.5547 9.6476 9.6585 9.8375 9.8709 11.0248 11.1086 11.1544 11.1690 k = 0.0190 0.5245 0.4060 ( 5793 PWs) bands (ev): -4.7188 -4.7186 -4.1745 -4.1740 -3.5162 -3.5076 -3.3718 -3.3597 -1.1169 -1.1097 -0.9973 -0.9917 -0.9134 -0.9035 -0.7449 -0.7049 -0.1005 -0.0738 0.2548 0.2590 0.5985 0.6064 0.7244 0.7359 0.9268 0.9405 1.0794 1.0937 1.4468 1.4931 1.8213 1.8621 2.7743 2.7802 2.9691 2.9829 3.2337 3.2474 3.3733 3.3771 4.4841 4.4878 4.9224 4.9463 5.0670 5.1179 5.5189 5.5328 6.0607 6.0814 6.7459 6.7579 9.5567 9.5575 9.6727 9.6810 9.8462 9.8669 11.0693 11.1196 11.1903 11.2069 k = 0.0000 0.5189 0.4131 ( 5798 PWs) bands (ev): -4.7196 -4.7196 -4.1745 -4.1745 -3.5080 -3.5080 -3.3679 -3.3679 -1.1129 -1.1129 -0.9946 -0.9946 -0.9084 -0.9084 -0.7259 -0.7259 -0.0871 -0.0871 0.2569 0.2569 0.6020 0.6020 0.7299 0.7299 0.9344 0.9344 1.0867 1.0867 1.4744 1.4744 1.8367 1.8367 2.7774 2.7774 2.9765 2.9765 3.2374 3.2374 3.3730 3.3730 4.4895 4.4895 4.9335 4.9335 5.0956 5.0956 5.5286 5.5286 6.0669 6.0669 6.7474 6.7474 9.5579 9.5579 9.6857 9.6857 9.8570 9.8570 11.0976 11.0976 11.2373 11.2373 k = 0.0000 0.5189 0.4131 ( 5798 PWs) bands (ev): -4.7196 -4.7196 -4.1745 -4.1745 -3.5080 -3.5080 -3.3679 -3.3679 -1.1129 -1.1129 -0.9946 -0.9946 -0.9084 -0.9084 -0.7259 -0.7259 -0.0871 -0.0871 0.2569 0.2569 0.6020 0.6020 0.7299 0.7299 0.9344 0.9344 1.0867 1.0867 1.4744 1.4744 1.8367 1.8367 2.7774 2.7774 2.9765 2.9765 3.2374 3.2374 3.3730 3.3730 4.4895 4.4895 4.9335 4.9335 5.0956 5.0956 5.5286 5.5286 6.0669 6.0669 6.7474 6.7474 9.5579 9.5579 9.6857 9.6857 9.8570 9.8570 11.0976 11.0976 11.2373 11.2373 k = 0.0089 0.5071 0.4278 ( 5794 PWs) bands (ev): -4.7190 -4.7189 -4.1743 -4.1741 -3.5096 -3.5081 -3.3683 -3.3681 -1.1153 -1.1099 -0.9965 -0.9921 -0.9187 -0.8973 -0.7289 -0.7222 -0.0924 -0.0822 0.2518 0.2622 0.6017 0.6025 0.7263 0.7338 0.9336 0.9343 1.0793 1.0940 1.4703 1.4735 1.8300 1.8345 2.7734 2.7775 2.9732 2.9744 3.2379 3.2416 3.3755 3.3792 4.4870 4.4970 4.9340 4.9384 5.0989 5.0990 5.5288 5.5321 6.0672 6.0694 6.7435 6.7499 9.5579 9.5584 9.6805 9.6811 9.8565 9.8577 11.0962 11.0993 11.2269 11.2300 k = 0.0179 0.4954 0.4426 ( 5798 PWs) bands (ev): -4.7171 -4.7170 -4.1733 -4.1731 -3.5127 -3.5098 -3.3694 -3.3689 -1.1171 -1.1064 -0.9978 -0.9891 -0.9279 -0.8854 -0.7313 -0.7179 -0.0982 -0.0778 0.2470 0.2677 0.6015 0.6031 0.7229 0.7379 0.9319 0.9333 1.0719 1.1012 1.4612 1.4676 1.8145 1.8239 2.7650 2.7735 2.9642 2.9663 3.2437 3.2502 3.3875 3.3943 4.4895 4.5091 4.9397 4.9483 5.1085 5.1091 5.5325 5.5395 6.0703 6.0746 6.7381 6.7512 9.5583 9.5594 9.6663 9.6671 9.8562 9.8586 11.0939 11.0988 11.2008 11.2038 k = 0.0268 0.4837 0.4573 ( 5792 PWs) bands (ev): -4.7139 -4.7138 -4.1717 -4.1714 -3.5174 -3.5131 -3.3710 -3.3703 -1.1183 -1.1025 -0.9985 -0.9857 -0.9360 -0.8730 -0.7328 -0.7131 -0.1045 -0.0737 0.2426 0.2734 0.6016 0.6037 0.7198 0.7422 0.9293 0.9314 1.0645 1.1081 1.4475 1.4571 1.7914 1.8060 2.7514 2.7648 2.9483 2.9503 3.2562 3.2639 3.4096 3.4189 4.4970 4.5252 4.9501 4.9626 5.1236 5.1263 5.5397 5.5513 6.0762 6.0827 6.7312 6.7511 9.5592 9.5608 9.6441 9.6443 9.8559 9.8595 11.0855 11.0881 11.1621 11.1622 k = 0.0357 0.4719 0.4721 ( 5788 PWs) bands (ev): -4.7095 -4.7094 -4.1694 -4.1690 -3.5235 -3.5179 -3.3732 -3.3723 -1.1189 -1.0982 -0.9987 -0.9819 -0.9427 -0.8604 -0.7335 -0.7079 -0.1112 -0.0700 0.2384 0.2792 0.6021 0.6043 0.7171 0.7466 0.9256 0.9286 1.0572 1.1148 1.4296 1.4422 1.7621 1.7824 2.7319 2.7502 2.9245 2.9252 3.2762 3.2841 3.4422 3.4535 4.5095 4.5449 4.9642 4.9802 5.1438 5.1502 5.5502 5.5679 6.0852 6.0938 6.7224 6.7496 9.5602 9.5624 9.6145 9.6157 9.8554 9.8601 11.0534 11.0598 11.1143 11.1169 k = 0.0446 0.4602 0.4868 ( 5788 PWs) bands (ev): -4.7038 -4.7037 -4.1667 -4.1661 -3.5310 -3.5241 -3.3761 -3.3749 -1.1188 -1.0935 -0.9984 -0.9781 -0.9478 -0.8480 -0.7331 -0.7023 -0.1182 -0.0665 0.2345 0.2852 0.6028 0.6048 0.7147 0.7512 0.9208 0.9250 1.0501 1.1211 1.4079 1.4234 1.7285 1.7548 2.7062 2.7291 2.8906 2.8923 3.3040 3.3119 3.4844 3.4974 4.5267 4.5680 4.9809 4.9996 5.1688 5.1805 5.5642 5.5893 6.0971 6.1078 6.7117 6.7467 9.5595 9.5638 9.5808 9.5830 9.8543 9.8601 10.9923 11.0091 11.0629 11.0670 k = 0.0536 0.4484 0.5016 ( 5790 PWs) bands (ev): -4.6969 -4.6967 -4.1634 -4.1628 -3.5398 -3.5317 -3.3796 -3.3782 -1.1181 -1.0886 -0.9974 -0.9747 -0.9508 -0.8361 -0.7314 -0.6964 -0.1256 -0.0629 0.2311 0.2913 0.6040 0.6051 0.7127 0.7559 0.9148 0.9203 1.0432 1.1270 1.3832 1.4012 1.6923 1.7250 2.6744 2.7013 2.8473 2.8522 3.3394 3.3476 3.5348 3.5496 4.5486 4.5942 4.9991 5.0191 5.1983 5.2164 5.5817 5.6159 6.1122 6.1249 6.6988 6.7422 9.5348 9.5457 9.5666 9.5671 9.8521 9.8589 10.9166 10.9418 11.0046 11.0092 k = 0.0625 0.4367 0.5163 ( 5794 PWs) bands (ev): -4.6888 -4.6886 -4.1598 -4.1591 -3.5496 -3.5404 -3.3837 -3.3820 -1.1167 -1.0836 -0.9960 -0.9724 -0.9511 -0.8254 -0.7283 -0.6903 -0.1331 -0.0592 0.2280 0.2975 0.6051 0.6056 0.7110 0.7606 0.9078 0.9147 1.0365 1.1322 1.3561 1.3761 1.6555 1.6945 2.6371 2.6671 2.7965 2.8053 3.3817 3.3911 3.5916 3.6079 4.5751 4.6236 5.0176 5.0370 5.2324 5.2572 5.6028 5.6473 6.1304 6.1453 6.6836 6.7359 9.4934 9.5088 9.5674 9.5675 9.8484 9.8558 10.8337 10.8658 10.9406 10.9447 k = 0.0714 0.4249 0.5311 ( 5800 PWs) bands (ev): -4.6794 -4.6792 -4.1559 -4.1551 -3.5604 -3.5502 -3.3883 -3.3865 -1.1148 -1.0785 -0.9941 -0.9714 -0.9484 -0.8161 -0.7236 -0.6842 -0.1406 -0.0552 0.2254 0.3036 0.6048 0.6076 0.7097 0.7653 0.8996 0.9081 1.0300 1.1366 1.3273 1.3488 1.6195 1.6645 2.5950 2.6272 2.7396 2.7529 3.4301 3.4413 3.6528 3.6705 4.6066 4.6565 5.0352 5.0521 5.2710 5.3020 5.6274 5.6830 6.1519 6.1688 6.6658 6.7276 9.4502 9.4717 9.5677 9.5684 9.8423 9.8501 10.7469 10.7848 10.8737 10.8771 k = 0.0804 0.4132 0.5458 ( 5804 PWs) bands (ev): -4.6689 -4.6686 -4.1518 -4.1510 -3.5718 -3.5609 -3.3936 -3.3917 -1.1122 -1.0735 -0.9917 -0.9709 -0.9437 -0.8086 -0.7174 -0.6782 -0.1480 -0.0505 0.2232 0.3097 0.6041 0.6102 0.7088 0.7699 0.8904 0.9003 1.0236 1.1400 1.2977 1.3198 1.5859 1.6361 2.5489 2.5825 2.6779 2.6962 3.4838 3.4975 3.7166 3.7352 4.6433 4.6932 5.0514 5.0637 5.3136 5.3496 5.6552 5.7222 6.1765 6.1955 6.6453 6.7173 9.4073 9.4359 9.5668 9.5687 9.8328 9.8405 10.6580 10.7005 10.8068 10.8092 k = 0.0893 0.4015 0.5606 ( 5806 PWs) bands (ev): -4.6573 -4.6569 -4.1479 -4.1470 -3.5837 -3.5721 -3.3996 -3.3974 -1.1090 -1.0687 -0.9889 -0.9702 -0.9378 -0.8030 -0.7102 -0.6726 -0.1552 -0.0449 0.2216 0.3158 0.6029 0.6133 0.7083 0.7744 0.8804 0.8915 1.0171 1.1418 1.2680 1.2900 1.5558 1.6098 2.4995 2.5337 2.6126 2.6364 3.5418 3.5585 3.7814 3.8001 4.6856 4.7341 5.0656 5.0718 5.3596 5.3990 5.6861 5.7638 6.2041 6.2252 6.6223 6.7047 9.3660 9.4023 9.5642 9.5679 9.8189 9.8261 10.5678 10.6140 10.7428 10.7439 k = 0.0982 0.3897 0.5753 ( 5800 PWs) bands (ev): -4.6445 -4.6441 -4.1442 -4.1433 -3.5958 -3.5836 -3.4061 -3.4039 -1.1052 -1.0641 -0.9856 -0.9687 -0.9312 -0.7989 -0.7024 -0.6675 -0.1619 -0.0381 0.2204 0.3216 0.6010 0.6169 0.7081 0.7786 0.8699 0.8817 1.0103 1.1412 1.2394 1.2608 1.5298 1.5862 2.4475 2.4817 2.5450 2.5746 3.6035 3.6232 3.8456 3.8636 4.7338 4.7796 5.0768 5.0776 5.4080 5.4494 5.7195 5.8069 6.2344 6.2573 6.5969 6.6896 9.3273 9.3717 9.5592 9.5655 9.7995 9.8056 10.4773 10.5263 10.6837 10.6842 k = 0.1071 0.3780 0.5901 ( 5798 PWs) bands (ev): -4.6307 -4.6301 -4.1410 -4.1401 -3.6077 -3.5952 -3.4133 -3.4110 -1.1009 -1.0597 -0.9819 -0.9664 -0.9241 -0.7961 -0.6948 -0.6632 -0.1680 -0.0298 0.2199 0.3270 0.5986 0.6210 0.7081 0.7825 0.8590 0.8708 1.0030 1.1366 1.2126 1.2344 1.5086 1.5655 2.3933 2.4272 2.4761 2.5116 3.6679 3.6909 3.9079 3.9243 4.7881 4.8300 5.0797 5.0878 5.4580 5.4996 5.7550 5.8502 6.2670 6.2911 6.5697 6.6721 9.2920 9.3445 9.5514 9.5610 9.7737 9.7780 10.3868 10.4379 10.6308 10.6335 k = 0.1161 0.3662 0.6048 ( 5798 PWs) bands (ev): -4.6158 -4.6151 -4.1385 -4.1377 -3.6192 -3.6064 -3.4211 -3.4187 -1.0961 -1.0556 -0.9779 -0.9633 -0.9167 -0.7942 -0.6881 -0.6599 -0.1733 -0.0199 0.2198 0.3321 0.5956 0.6258 0.7082 0.7857 0.8482 0.8593 0.9947 1.1259 1.1888 1.2139 1.4922 1.5477 2.3369 2.3705 2.4072 2.4484 3.7345 3.7606 3.9673 3.9812 4.8479 4.8850 5.0814 5.0966 5.5088 5.5490 5.7919 5.8929 6.3011 6.3246 6.5423 6.6522 9.2606 9.3210 9.5400 9.5539 9.7410 9.7430 10.2967 10.3494 10.5872 10.5925 k = 0.1250 0.3545 0.6196 ( 5802 PWs) bands (ev): -4.5999 -4.5991 -4.1370 -4.1363 -3.6299 -3.6171 -3.4295 -3.4271 -1.0908 -1.0519 -0.9735 -0.9595 -0.9091 -0.7931 -0.6826 -0.6578 -0.1777 -0.0081 0.2204 0.3365 0.5920 0.6310 0.7084 0.7881 0.8379 0.8474 0.9852 1.1076 1.1688 1.2012 1.4806 1.5329 2.2782 2.3122 2.3398 2.3857 3.8023 3.8313 4.0230 4.0336 4.9113 4.9438 5.0841 5.1053 5.5594 5.5967 5.8297 5.9342 6.3359 6.3540 6.5181 6.6302 9.2336 9.3012 9.5243 9.5435 9.7011 9.7019 10.2074 10.2613 10.5538 10.5620 k = 0.1339 0.3427 0.6343 ( 5792 PWs) bands (ev): -4.5830 -4.5821 -4.1368 -4.1363 -3.6394 -3.6268 -3.4385 -3.4362 -1.0852 -1.0484 -0.9688 -0.9550 -0.9013 -0.7925 -0.6789 -0.6572 -0.1810 0.0055 0.2216 0.3401 0.5880 0.6367 0.7084 0.7890 0.8284 0.8358 0.9743 1.0839 1.1532 1.1953 1.4734 1.5210 2.2165 2.2527 2.2755 2.3242 3.8707 3.9022 4.0746 4.0814 4.9731 5.0037 5.0931 5.1166 5.6093 5.6421 5.8678 5.9733 6.3702 6.3711 6.5049 6.6067 9.2112 9.2851 9.5037 9.5290 9.6541 9.6581 10.1192 10.1739 10.5309 10.5421 k = 0.1429 0.3310 0.6491 ( 5780 PWs) bands (ev): -4.5652 -4.5642 -4.1382 -4.1379 -3.6475 -3.6352 -3.4481 -3.4459 -1.0792 -1.0451 -0.9639 -0.9501 -0.8933 -0.7922 -0.6771 -0.6581 -0.1832 0.0211 0.2233 0.3426 0.5838 0.6428 0.7081 0.7875 0.8200 0.8259 0.9622 1.0578 1.1423 1.1937 1.4705 1.5117 2.1518 2.1925 2.2153 2.2644 3.9388 3.9724 4.1219 4.1248 5.0182 5.0560 5.1228 5.1390 5.6576 5.6847 5.9058 6.0097 6.3670 6.4025 6.5116 6.5826 9.1934 9.2724 9.4773 9.5089 9.6052 9.6123 10.0324 10.0876 10.5182 10.5321 k = 0.1518 0.3193 0.6638 ( 5782 PWs) bands (ev): -4.5466 -4.5454 -4.1414 -4.1414 -3.6538 -3.6420 -3.4583 -3.4562 -1.0729 -1.0420 -0.9588 -0.9450 -0.8850 -0.7922 -0.6772 -0.6607 -0.1844 0.0384 0.2256 0.3438 0.5798 0.6492 0.7071 0.7826 0.8131 0.8188 0.9492 1.0315 1.1363 1.1949 1.4712 1.5048 2.0852 2.1321 2.1592 2.2067 4.0057 4.0408 4.1640 4.1650 5.0370 5.0870 5.1816 5.1856 5.7038 5.7240 5.9432 6.0425 6.3467 6.4302 6.5332 6.5599 9.1801 9.2628 9.4443 9.4805 9.5591 9.5676 9.9473 10.0026 10.5146 10.5309 k = 0.1607 0.3075 0.6786 ( 5774 PWs) bands (ev): -4.5271 -4.5258 -4.1469 -4.1466 -3.6581 -3.6469 -3.4690 -3.4671 -1.0665 -1.0390 -0.9536 -0.9399 -0.8765 -0.7923 -0.6793 -0.6649 -0.1847 0.0572 0.2283 0.3435 0.5764 0.6555 0.7054 0.7747 0.8079 0.8148 0.9358 1.0060 1.1347 1.1984 1.4752 1.5001 2.0183 2.0721 2.1063 2.1512 4.0704 4.1064 4.1995 4.2041 5.0443 5.1031 5.2488 5.2535 5.7475 5.7600 5.9798 6.0711 6.3217 6.4487 6.5431 6.5592 9.1712 9.2558 9.4054 9.4419 9.5206 9.5267 9.8645 9.9193 10.5191 10.5371 k = 0.1696 0.2958 0.6933 ( 5770 PWs) bands (ev): -4.5069 -4.5055 -4.1547 -4.1540 -3.6603 -3.6498 -3.4802 -3.4786 -1.0600 -1.0362 -0.9483 -0.9349 -0.8676 -0.7924 -0.6832 -0.6708 -0.1841 0.0772 0.2315 0.3414 0.5739 0.6614 0.7026 0.7660 0.8045 0.8124 0.9227 0.9819 1.1373 1.2040 1.4820 1.4971 1.9525 2.0134 2.0564 2.0980 4.1316 4.1680 4.2319 4.2396 5.0499 5.1163 5.3154 5.3262 5.7885 5.7930 6.0152 6.0944 6.2994 6.4511 6.5385 6.5833 9.1664 9.2512 9.3629 9.3964 9.4887 9.4901 9.7843 9.8380 10.5303 10.5496 k = 0.1786 0.2840 0.7081 ( 5768 PWs) bands (ev): -4.4861 -4.4845 -4.1647 -4.1637 -3.6602 -3.6505 -3.4919 -3.4906 -1.0535 -1.0336 -0.9431 -0.9302 -0.8583 -0.7923 -0.6886 -0.6781 -0.1828 0.0980 0.2349 0.3375 0.5725 0.6662 0.6989 0.7584 0.8029 0.8106 0.9102 0.9594 1.1440 1.2117 1.4912 1.4953 1.8891 1.9567 2.0092 2.0473 4.1879 4.2243 4.2618 4.2719 5.0576 5.1310 5.3782 5.3926 5.8241 5.8274 6.0492 6.1121 6.2847 6.4391 6.5446 6.6022 9.1652 9.2483 9.3206 9.3504 9.4571 9.4597 9.7071 9.7592 10.5473 10.5673 k = 0.1875 0.2723 0.7228 ( 5760 PWs) bands (ev): -4.4647 -4.4629 -4.1769 -4.1755 -3.6579 -3.6491 -3.5040 -3.5030 -1.0472 -1.0311 -0.9381 -0.9260 -0.8486 -0.7920 -0.6952 -0.6866 -0.1811 0.1192 0.2384 0.3318 0.5726 0.6693 0.6942 0.7535 0.8029 0.8087 0.8985 0.9385 1.1545 1.2213 1.4937 1.5024 1.8295 1.9029 1.9649 1.9991 4.2377 4.2739 4.2900 4.3013 5.0692 5.1493 5.4323 5.4464 5.8551 5.8657 6.0816 6.1257 6.2794 6.4219 6.5521 6.6139 9.1674 9.2468 9.2823 9.3082 9.4270 9.4315 9.6335 9.6833 10.5691 10.5891 k = 0.1964 0.2605 0.7376 ( 5754 PWs) bands (ev): -4.4428 -4.4409 -4.1912 -4.1894 -3.6535 -3.6457 -3.5165 -3.5158 -1.0412 -1.0288 -0.9334 -0.9223 -0.8385 -0.7912 -0.7028 -0.6963 -0.1792 0.1404 0.2420 0.3244 0.5741 0.6702 0.6886 0.7524 0.8043 0.8066 0.8877 0.9192 1.1689 1.2328 1.4910 1.5150 1.7755 1.8528 1.9236 1.9537 4.2787 4.3150 4.3175 4.3292 5.0861 5.1722 5.4726 5.4813 5.8883 5.9057 6.1123 6.1392 6.2821 6.4049 6.5556 6.6169 9.1725 9.2431 9.2539 9.2726 9.3994 9.4036 9.5641 9.6111 10.5946 10.6142 k = 0.2054 0.2488 0.7523 ( 5760 PWs) bands (ev): -4.4205 -4.4184 -4.2073 -4.2052 -3.6473 -3.6403 -3.5291 -3.5289 -1.0358 -1.0267 -0.9292 -0.9192 -0.8279 -0.7899 -0.7109 -0.7068 -0.1772 0.1613 0.2453 0.3154 0.5769 0.6691 0.6824 0.7549 0.8043 0.8068 0.8780 0.9015 1.1869 1.2456 1.4847 1.5283 1.7297 1.8079 1.8857 1.9112 4.3100 4.3445 4.3447 4.3576 5.1091 5.2003 5.4942 5.4958 5.9251 5.9476 6.1412 6.1576 6.2897 6.3906 6.5531 6.6104 9.1801 9.2240 9.2455 9.2504 9.3742 9.3757 9.4996 9.5433 10.6231 10.6418 k = 0.2143 0.2371 0.7671 ( 5772 PWs) bands (ev): -4.3980 -4.3957 -4.2250 -4.2228 -3.6394 -3.6332 -3.5422 -3.5420 -1.0309 -1.0249 -0.9256 -0.9166 -0.8171 -0.7879 -0.7192 -0.7179 -0.1754 0.1814 0.2483 0.3050 0.5805 0.6667 0.6761 0.7604 0.8020 0.8103 0.8691 0.8853 1.2083 1.2592 1.4723 1.5413 1.6949 1.7697 1.8517 1.8722 4.3331 4.3665 4.3689 4.3829 5.1383 5.2334 5.4864 5.5011 5.9644 5.9880 6.1679 6.1846 6.2991 6.3799 6.5441 6.5943 9.1895 9.2099 9.2282 9.2522 9.3482 9.3515 9.4410 9.4809 10.6538 10.6711 k = 0.2232 0.2253 0.7818 ( 5772 PWs) bands (ev): -4.3753 -4.3729 -4.2442 -4.2417 -3.6300 -3.6247 -3.5556 -3.5549 -1.0270 -1.0234 -0.9227 -0.9146 -0.8060 -0.7854 -0.7294 -0.7271 -0.1738 0.2007 0.2508 0.2935 0.5846 0.6640 0.6699 0.7675 0.7999 0.8144 0.8612 0.8710 1.2328 1.2725 1.4521 1.5525 1.6731 1.7405 1.8223 1.8372 4.3505 4.3840 4.3881 4.4014 5.1728 5.2707 5.4630 5.4906 6.0024 6.0214 6.1919 6.2210 6.3090 6.3736 6.5297 6.5693 9.1995 9.2055 9.2225 9.2548 9.3210 9.3315 9.3893 9.4254 10.6860 10.7012 k = 0.2321 0.2136 0.7966 ( 5768 PWs) bands (ev): -4.3525 -4.3500 -4.2644 -4.2619 -3.6195 -3.6149 -3.5688 -3.5677 -1.0240 -1.0224 -0.9206 -0.9133 -0.7949 -0.7827 -0.7408 -0.7340 -0.1726 0.2189 0.2527 0.2808 0.5885 0.6616 0.6646 0.7750 0.7983 0.8187 0.8543 0.8589 1.2590 1.2841 1.4259 1.5601 1.6628 1.7223 1.7989 1.8076 4.3630 4.3978 4.4012 4.4130 5.2104 5.3109 5.4306 5.4676 6.0341 6.0447 6.2119 6.2612 6.3201 6.3720 6.5122 6.5377 9.2091 9.2104 9.2285 9.2565 9.2941 9.3148 9.3464 9.3793 10.7189 10.7313 k = 0.2411 0.2018 0.8113 ( 5764 PWs) bands (ev): -4.3300 -4.3273 -4.2856 -4.2830 -3.6084 -3.6042 -3.5816 -3.5802 -1.0221 -1.0217 -0.9194 -0.9124 -0.7847 -0.7803 -0.7513 -0.7390 -0.1719 0.2359 0.2539 0.2671 0.5914 0.6601 0.6609 0.7810 0.7972 0.8224 0.8492 0.8503 1.2832 1.2921 1.3999 1.5636 1.6596 1.7151 1.7832 1.7860 4.3708 4.4073 4.4086 4.4185 5.2455 5.3516 5.3975 5.4365 6.0550 6.0580 6.2255 6.2901 6.3371 6.3739 6.4967 6.5059 9.2220 9.2231 9.2401 9.2532 9.2686 9.3040 9.3147 9.3469 10.7515 10.7594 k = 0.2500 0.1901 0.8261 ( 5752 PWs) bands (ev): -4.3098 -4.3052 -4.3052 -4.3046 -3.5998 -3.5943 -3.5907 -3.5907 -1.0215 -1.0215 -0.9189 -0.9122 -0.7793 -0.7793 -0.7568 -0.7408 -0.1716 0.2498 0.2543 0.2543 0.5925 0.6596 0.6596 0.7834 0.7968 0.8240 0.8471 0.8471 1.2950 1.2950 1.3873 1.5644 1.6592 1.7140 1.7776 1.7776 4.3735 4.4110 4.4110 4.4197 5.2626 5.3809 5.3809 5.4103 6.0622 6.0622 6.2303 6.2983 6.3498 6.3755 6.4902 6.4902 9.2370 9.2370 9.2417 9.2432 9.2546 9.3011 9.3011 9.3345 10.7756 10.7756 k = 0.2500 0.1901 0.8261 ( 5752 PWs) bands (ev): -4.3098 -4.3052 -4.3052 -4.3046 -3.5998 -3.5943 -3.5907 -3.5907 -1.0215 -1.0215 -0.9189 -0.9122 -0.7793 -0.7793 -0.7568 -0.7408 -0.1716 0.2498 0.2543 0.2543 0.5925 0.6596 0.6596 0.7834 0.7968 0.8240 0.8471 0.8471 1.2950 1.2950 1.3873 1.5644 1.6592 1.7140 1.7776 1.7776 4.3735 4.4110 4.4110 4.4197 5.2626 5.3809 5.3809 5.4103 6.0622 6.0622 6.2303 6.2983 6.3498 6.3755 6.4902 6.4902 9.2370 9.2370 9.2417 9.2432 9.2546 9.3011 9.3011 9.3345 10.7756 10.7756 k = 0.2632 0.2001 0.8135 ( 5756 PWs) bands (ev): -4.3205 -4.3178 -4.2946 -4.2924 -3.6038 -3.5996 -3.5863 -3.5853 -1.0227 -1.0204 -0.9193 -0.9128 -0.7817 -0.7796 -0.7538 -0.7398 -0.1713 0.2396 0.2586 0.2587 0.5919 0.6553 0.6646 0.7828 0.7960 0.8243 0.8432 0.8533 1.2754 1.3035 1.3885 1.5480 1.6778 1.7200 1.7653 1.8010 4.3696 4.4052 4.4077 4.4148 5.2563 5.3629 5.3920 5.4256 6.0593 6.0647 6.2275 6.2898 6.3484 6.3843 6.4922 6.4987 9.1767 9.2013 9.2150 9.2460 9.2960 9.3196 9.3319 9.3622 10.7651 10.7679 k = 0.2763 0.2101 0.8010 ( 5763 PWs) bands (ev): -4.3320 -4.3295 -4.2835 -4.2813 -3.6098 -3.6059 -3.5795 -3.5788 -1.0241 -1.0191 -0.9206 -0.9145 -0.7851 -0.7835 -0.7456 -0.7373 -0.1703 0.2250 0.2628 0.2646 0.5901 0.6512 0.6709 0.7805 0.7937 0.8255 0.8430 0.8609 1.2454 1.3018 1.3917 1.5204 1.7155 1.7371 1.7636 1.8309 4.3578 4.3885 4.3967 4.4032 5.2385 5.3321 5.4172 5.4528 6.0555 6.0681 6.2182 6.2707 6.3495 6.4072 6.5036 6.5117 9.1019 9.1319 9.1837 9.2241 9.3510 9.3563 9.3788 9.4172 10.7480 10.7542 k = 0.2895 0.2201 0.7884 ( 5761 PWs) bands (ev): -4.3423 -4.3401 -4.2736 -4.2716 -3.6154 -3.6116 -3.5728 -3.5728 -1.0256 -1.0178 -0.9227 -0.9173 -0.7892 -0.7891 -0.7345 -0.7343 -0.1681 0.2084 0.2668 0.2703 0.5872 0.6471 0.6785 0.7765 0.7902 0.8276 0.8465 0.8696 1.2113 1.2880 1.3954 1.4987 1.7550 1.7621 1.7745 1.8652 4.3373 4.3603 4.3806 4.3878 5.2147 5.2979 5.4480 5.4811 6.0511 6.0726 6.2028 6.2504 6.3592 6.4363 6.5188 6.5278 9.0224 9.0551 9.1519 9.1977 9.3978 9.4068 9.4305 9.4788 10.7309 10.7395 k = 0.3026 0.2301 0.7758 ( 5765 PWs) bands (ev): -4.3515 -4.3494 -4.2651 -4.2633 -3.6205 -3.6167 -3.5676 -3.5668 -1.0272 -1.0163 -0.9254 -0.9208 -0.7958 -0.7934 -0.7321 -0.7215 -0.1645 0.1899 0.2709 0.2755 0.5836 0.6431 0.6870 0.7721 0.7859 0.8301 0.8530 0.8793 1.1776 1.2641 1.3986 1.4852 1.7780 1.7924 1.8118 1.9026 4.3087 4.3242 4.3606 4.3677 5.1899 5.2632 5.4766 5.5064 6.0456 6.0772 6.1848 6.2329 6.3789 6.4652 6.5346 6.5491 8.9403 8.9746 9.1205 9.1703 9.4422 9.4627 9.4853 9.5428 10.7145 10.7251 k = 0.3158 0.2401 0.7633 ( 5759 PWs) bands (ev): -4.3593 -4.3574 -4.2579 -4.2564 -3.6249 -3.6212 -3.5633 -3.5617 -1.0287 -1.0149 -0.9286 -0.9248 -0.8028 -0.7980 -0.7305 -0.7081 -0.1592 0.1699 0.2753 0.2805 0.5795 0.6391 0.6957 0.7688 0.7812 0.8331 0.8618 0.8901 1.1465 1.2347 1.4011 1.4767 1.7992 1.8259 1.8583 1.9421 4.2741 4.2831 4.3368 4.3423 5.1669 5.2298 5.4981 5.5261 6.0388 6.0796 6.1690 6.2200 6.4072 6.4868 6.5500 6.5805 8.8578 8.8928 9.0898 9.1427 9.4891 9.5183 9.5430 9.6078 10.6990 10.7113 k = 0.3289 0.2501 0.7507 ( 5759 PWs) bands (ev): -4.3658 -4.3641 -4.2519 -4.2507 -3.6286 -3.6249 -3.5601 -3.5576 -1.0301 -1.0135 -0.9322 -0.9292 -0.8102 -0.8029 -0.7301 -0.6951 -0.1521 0.1489 0.2802 0.2853 0.5753 0.6351 0.7031 0.7684 0.7760 0.8364 0.8722 0.9019 1.1192 1.2043 1.4029 1.4701 1.8250 1.8614 1.9060 1.9827 4.2355 4.2391 4.3089 4.3121 5.1473 5.1991 5.5100 5.5383 6.0309 6.0770 6.1595 6.2117 6.4406 6.4984 6.5660 6.6225 8.7768 8.8115 9.0600 9.1155 9.5381 9.5738 9.6029 9.6733 10.6845 10.6982 k = 0.3421 0.2601 0.7381 ( 5757 PWs) bands (ev): -4.3709 -4.3695 -4.2473 -4.2463 -3.6315 -3.6279 -3.5581 -3.5549 -1.0314 -1.0122 -0.9360 -0.9336 -0.8176 -0.8084 -0.7308 -0.6832 -0.1431 0.1277 0.2855 0.2900 0.5715 0.6312 0.7077 0.7705 0.7728 0.8400 0.8840 0.9146 1.0959 1.1757 1.4043 1.4638 1.8546 1.8976 1.9534 2.0233 4.1939 4.1951 4.2769 4.2778 5.1315 5.1716 5.5114 5.5424 6.0228 6.0687 6.1576 6.2074 6.4727 6.5025 6.5864 6.6705 8.6999 8.7329 9.0313 9.0888 9.5890 9.6293 9.6642 9.7388 10.6709 10.6856 k = 0.3553 0.2701 0.7256 ( 5757 PWs) bands (ev): -4.3746 -4.3733 -4.2439 -4.2431 -3.6337 -3.6302 -3.5574 -3.5535 -1.0326 -1.0113 -0.9400 -0.9380 -0.8252 -0.8148 -0.7326 -0.6733 -0.1323 0.1071 0.2915 0.2949 0.5681 0.6273 0.7089 0.7646 0.7826 0.8440 0.8969 0.9281 1.0770 1.1507 1.4054 1.4572 1.8866 1.9337 1.9999 2.0633 4.1488 4.1543 4.2405 4.2416 5.1196 5.1477 5.5027 5.5382 6.0156 6.0574 6.1609 6.2062 6.4954 6.5012 6.6158 6.7192 8.6298 8.6596 9.0036 9.0628 9.6414 9.6847 9.7266 9.8039 10.6580 10.6733 k = 0.3684 0.2801 0.7130 ( 5761 PWs) bands (ev): -4.3768 -4.3758 -4.2418 -4.2413 -3.6352 -3.6318 -3.5580 -3.5535 -1.0336 -1.0107 -0.9440 -0.9419 -0.8328 -0.8222 -0.7349 -0.6658 -0.1199 0.0879 0.2979 0.2998 0.5655 0.6236 0.7077 0.7582 0.7964 0.8484 0.9108 0.9421 1.0626 1.1308 1.4065 1.4502 1.9199 1.9690 2.0447 2.1017 4.1051 4.1143 4.2017 4.2040 5.1112 5.1271 5.4849 5.5260 6.0100 6.0463 6.1664 6.2069 6.4959 6.5054 6.6537 6.7639 8.5695 8.5942 8.9771 9.0375 9.6952 9.7399 9.7894 9.8682 10.6457 10.6609 k = 0.3816 0.2901 0.7004 ( 5765 PWs) bands (ev): -4.3775 -4.3767 -4.2411 -4.2408 -3.6359 -3.6326 -3.5599 -3.5549 -1.0346 -1.0108 -0.9479 -0.9453 -0.8403 -0.8308 -0.7376 -0.6615 -0.1064 0.0707 0.3047 0.3049 0.5639 0.6202 0.7054 0.7514 0.8126 0.8533 0.9253 0.9557 1.0534 1.1176 1.4076 1.4429 1.9532 2.0025 2.0872 2.1377 4.0638 4.0764 4.1626 4.1651 5.1056 5.1096 5.4592 5.5064 6.0069 6.0372 6.1725 6.2090 6.4875 6.5057 6.6929 6.8002 8.5223 8.5397 8.9518 9.0132 9.7500 9.7948 9.8522 9.9310 10.6337 10.6481 k = 0.3947 0.3001 0.6879 ( 5768 PWs) bands (ev): -4.3767 -4.3761 -4.2418 -4.2416 -3.6358 -3.6326 -3.5630 -3.5577 -1.0353 -1.0117 -0.9518 -0.9478 -0.8478 -0.8406 -0.7400 -0.6605 -0.0920 0.0560 0.3101 0.3116 0.5632 0.6171 0.7027 0.7442 0.8295 0.8588 0.9393 0.9673 1.0511 1.1130 1.4090 1.4354 1.9856 2.0336 2.1267 2.1707 4.0260 4.0415 4.1246 4.1264 5.0945 5.1023 5.4266 5.4801 6.0065 6.0311 6.1785 6.2115 6.4768 6.4997 6.7261 6.8239 8.4914 8.4993 8.9278 8.9899 9.8055 9.8492 9.9143 9.9918 10.6215 10.6342 k = 0.4079 0.3101 0.6753 ( 5768 PWs) bands (ev): -4.3744 -4.3740 -4.2441 -4.2440 -3.6349 -3.6319 -3.5672 -3.5618 -1.0361 -1.0135 -0.9555 -0.9495 -0.8552 -0.8515 -0.7421 -0.6630 -0.0774 0.0440 0.3154 0.3185 0.5636 0.6142 0.7000 0.7367 0.8460 0.8647 0.9507 0.9751 1.0582 1.1193 1.4107 1.4280 2.0161 2.0615 2.1625 2.1998 3.9925 4.0104 4.0889 4.0890 5.0813 5.1007 5.3884 5.4480 6.0092 6.0284 6.1836 6.2136 6.4647 6.4897 6.7479 6.8320 8.4757 8.4793 8.9051 8.9677 9.8613 9.9026 9.9750 10.0498 10.6086 10.6188 k = 0.4211 0.3201 0.6627 ( 5762 PWs) bands (ev): -4.3705 -4.3704 -4.2481 -4.2480 -3.6333 -3.6305 -3.5724 -3.5669 -1.0367 -1.0163 -0.9589 -0.9503 -0.8630 -0.8625 -0.7435 -0.6687 -0.0628 0.0346 0.3207 0.3249 0.5652 0.6116 0.6977 0.7291 0.8611 0.8711 0.9577 0.9784 1.0772 1.1374 1.4127 1.4206 2.0440 2.0856 2.1938 2.2245 3.9641 3.9838 4.0541 4.0564 5.0698 5.1003 5.3454 5.4106 6.0151 6.0293 6.1872 6.2141 6.4528 6.4775 6.7546 6.8225 8.4711 8.4871 8.8837 8.9466 9.9170 9.9550 10.0334 10.1040 10.5943 10.6012 k = 0.4342 0.3301 0.6502 ( 5770 PWs) bands (ev): -4.3652 -4.3651 -4.2538 -4.2537 -3.6309 -3.6283 -3.5782 -3.5730 -1.0375 -1.0199 -0.9620 -0.9506 -0.8746 -0.8696 -0.7444 -0.6773 -0.0487 0.0274 0.3258 0.3306 0.5680 0.6093 0.6956 0.7216 0.8744 0.8777 0.9607 0.9781 1.1078 1.1665 1.4133 1.4152 2.0687 2.1053 2.2202 2.2444 3.9413 3.9624 4.0227 4.0279 5.0594 5.1007 5.2985 5.3688 6.0240 6.0337 6.1882 6.2114 6.4428 6.4651 6.7445 6.7955 8.4860 8.5143 8.8637 8.9266 9.9724 10.0060 10.0884 10.1533 10.5781 10.5814 k = 0.4474 0.3402 0.6376 ( 5780 PWs) bands (ev): -4.3584 -4.3581 -4.2616 -4.2613 -3.6277 -3.6253 -3.5844 -3.5796 -1.0383 -1.0242 -0.9648 -0.9511 -0.8855 -0.8765 -0.7446 -0.6880 -0.0353 0.0220 0.3305 0.3353 0.5720 0.6070 0.6940 0.7145 0.8846 0.8855 0.9614 0.9759 1.1482 1.2048 1.4063 1.4180 2.0895 2.1202 2.2410 2.2592 3.9248 3.9465 3.9956 4.0038 5.0500 5.1015 5.2484 5.3231 6.0358 6.0416 6.1852 6.2037 6.4369 6.4544 6.7178 6.7527 8.5194 8.5589 8.8451 8.9079 10.0270 10.0554 10.1384 10.1959 10.5596 10.5597 k = 0.4605 0.3502 0.6250 ( 5779 PWs) bands (ev): -4.3500 -4.3495 -4.2714 -4.2710 -3.6238 -3.6217 -3.5907 -3.5865 -1.0394 -1.0291 -0.9671 -0.9525 -0.8945 -0.8832 -0.7442 -0.7003 -0.0229 0.0177 0.3346 0.3388 0.5771 0.6049 0.6929 0.7080 0.8915 0.8946 0.9615 0.9729 1.1965 1.2509 1.3997 1.4213 2.1063 2.1300 2.2563 2.2689 3.9147 3.9360 3.9734 3.9842 5.0415 5.1024 5.1960 5.2741 6.0501 6.0527 6.1766 6.1896 6.4364 6.4476 6.6765 6.6968 8.5692 8.6175 8.8280 8.8905 10.0803 10.1029 10.1815 10.2295 10.5375 10.5395 k = 0.4737 0.3602 0.6124 ( 5782 PWs) bands (ev): -4.3401 -4.3393 -4.2836 -4.2829 -3.6193 -3.6174 -3.5967 -3.5934 -1.0408 -1.0343 -0.9687 -0.9559 -0.9005 -0.8897 -0.7433 -0.7135 -0.0115 0.0141 0.3379 0.3410 0.5833 0.6027 0.6924 0.7022 0.8983 0.9018 0.9618 0.9697 1.2511 1.3031 1.3941 1.4250 2.1188 2.1348 2.2659 2.2736 3.9110 3.9302 3.9570 3.9691 5.0340 5.1015 5.1435 5.2223 6.0662 6.0664 6.1616 6.1690 6.4417 6.4458 6.6239 6.6320 8.6320 8.6866 8.8127 8.8744 10.1321 10.1483 10.2147 10.2501 10.5187 10.5195 k = 0.4868 0.3702 0.5999 ( 5782 PWs) bands (ev): -4.3287 -4.3276 -4.2982 -4.2972 -3.6141 -3.6126 -3.6022 -3.5998 -1.0426 -1.0397 -0.9698 -0.9620 -0.9027 -0.8959 -0.7419 -0.7270 -0.0014 0.0108 0.3402 0.3419 0.5904 0.6005 0.6925 0.6973 0.9049 0.9073 0.9626 0.9668 1.3104 1.3551 1.3948 1.4296 2.1271 2.1350 2.2702 2.2738 3.9131 3.9259 3.9490 3.9583 5.0273 5.0762 5.1139 5.1683 6.0810 6.0821 6.1409 6.1436 6.4476 6.4494 6.5647 6.5654 8.7043 8.7605 8.8011 8.8598 10.1816 10.1907 10.2341 10.2532 10.5032 10.5071 k = 0.5000 0.3802 0.5873 ( 5782 PWs) bands (ev): -4.3169 -4.3169 -4.3127 -4.3127 -3.6093 -3.6093 -3.6045 -3.6045 -1.0450 -1.0450 -0.9702 -0.9702 -0.9017 -0.9017 -0.7401 -0.7401 0.0073 0.0073 0.3415 0.3415 0.5981 0.5981 0.6934 0.6934 0.9113 0.9113 0.9641 0.9641 1.3708 1.3708 1.4371 1.4371 2.1316 2.1316 2.2701 2.2701 3.9199 3.9199 3.9518 3.9518 5.0213 5.0213 5.1128 5.1128 6.0877 6.0877 6.1232 6.1232 6.4401 6.4401 6.5174 6.5174 8.7819 8.7819 8.8475 8.8475 10.2218 10.2218 10.2434 10.2434 10.4899 10.4899 k = 0.5000 0.3802 0.5873 ( 5782 PWs) bands (ev): -4.3169 -4.3169 -4.3127 -4.3127 -3.6093 -3.6093 -3.6045 -3.6045 -1.0450 -1.0450 -0.9702 -0.9702 -0.9017 -0.9017 -0.7401 -0.7401 0.0073 0.0073 0.3415 0.3415 0.5981 0.5981 0.6934 0.6934 0.9113 0.9113 0.9641 0.9641 1.3708 1.3708 1.4371 1.4371 2.1316 2.1316 2.2701 2.2701 3.9199 3.9199 3.9518 3.9518 5.0213 5.0213 5.1128 5.1128 6.0877 6.0877 6.1232 6.1232 6.4401 6.4401 6.5174 6.5174 8.7819 8.7819 8.8475 8.8475 10.2218 10.2218 10.2434 10.2434 10.4899 10.4899 k = 0.5000 0.3802 0.5663 ( 5790 PWs) bands (ev): -4.3210 -4.3210 -4.3167 -4.3167 -3.6076 -3.6076 -3.6030 -3.6030 -1.0520 -1.0520 -0.9783 -0.9783 -0.9030 -0.9030 -0.7490 -0.7489 0.0108 0.0108 0.3401 0.3401 0.6026 0.6026 0.6926 0.6926 0.9185 0.9185 0.9639 0.9639 1.4175 1.4175 1.4979 1.4979 2.1312 2.1312 2.2647 2.2647 3.9212 3.9212 3.9546 3.9546 4.9691 4.9691 5.0673 5.0673 6.0734 6.0734 6.1103 6.1103 6.3928 6.3928 6.4767 6.4767 8.8403 8.8403 8.9049 8.9049 10.2267 10.2267 10.2565 10.2565 10.4369 10.4369 k = 0.5000 0.3802 0.5454 ( 5786 PWs) bands (ev): -4.3263 -4.3263 -4.3218 -4.3218 -3.6045 -3.6045 -3.5999 -3.5999 -1.0592 -1.0592 -0.9870 -0.9870 -0.9023 -0.9023 -0.7571 -0.7571 0.0136 0.0136 0.3367 0.3367 0.6060 0.6060 0.6940 0.6940 0.9243 0.9243 0.9646 0.9646 1.4616 1.4616 1.5577 1.5577 2.1349 2.1349 2.2621 2.2621 3.9222 3.9222 3.9569 3.9569 4.9190 4.9190 5.0230 5.0230 6.0584 6.0584 6.0966 6.0966 6.3471 6.3471 6.4385 6.4385 8.8997 8.8997 8.9623 8.9623 10.2064 10.2064 10.2452 10.2452 10.3941 10.3941 k = 0.5000 0.3802 0.5244 ( 5790 PWs) bands (ev): -4.3327 -4.3327 -4.3279 -4.3279 -3.6003 -3.6003 -3.5950 -3.5950 -1.0667 -1.0667 -0.9956 -0.9956 -0.9003 -0.9003 -0.7643 -0.7643 0.0156 0.0156 0.3315 0.3315 0.6080 0.6080 0.6977 0.6977 0.9285 0.9285 0.9664 0.9664 1.5007 1.5007 1.6138 1.6138 2.1446 2.1446 2.2642 2.2642 3.9228 3.9228 3.9584 3.9584 4.8721 4.8721 4.9810 4.9810 6.0426 6.0426 6.0821 6.0821 6.3034 6.3034 6.4031 6.4031 8.9589 8.9589 9.0187 9.0187 10.1680 10.1680 10.2048 10.2048 10.3643 10.3643 k = 0.5000 0.3802 0.5034 ( 5792 PWs) bands (ev): -4.3403 -4.3403 -4.3352 -4.3352 -3.5946 -3.5946 -3.5883 -3.5883 -1.0744 -1.0744 -1.0036 -1.0036 -0.8974 -0.8974 -0.7703 -0.7703 0.0166 0.0166 0.3247 0.3247 0.6084 0.6084 0.7036 0.7036 0.9310 0.9310 0.9693 0.9693 1.5323 1.5323 1.6633 1.6633 2.1625 2.1625 2.2731 2.2731 3.9229 3.9229 3.9592 3.9592 4.8294 4.8294 4.9421 4.9421 6.0259 6.0259 6.0670 6.0670 6.2621 6.2621 6.3707 6.3707 9.0166 9.0166 9.0728 9.0728 10.1189 10.1189 10.1464 10.1464 10.3372 10.3372 k = 0.5000 0.3802 0.4824 ( 5788 PWs) bands (ev): -4.3491 -4.3491 -4.3436 -4.3436 -3.5874 -3.5874 -3.5798 -3.5798 -1.0822 -1.0822 -1.0109 -1.0109 -0.8941 -0.8941 -0.7749 -0.7749 0.0166 0.0166 0.3164 0.3164 0.6076 0.6076 0.7111 0.7111 0.9322 0.9322 0.9732 0.9732 1.5544 1.5544 1.7029 1.7029 2.1904 2.1905 2.2913 2.2913 3.9223 3.9223 3.9589 3.9589 4.7917 4.7917 4.9071 4.9071 6.0080 6.0080 6.0510 6.0510 6.2240 6.2240 6.3416 6.3416 9.0712 9.0712 9.1232 9.1232 10.0655 10.0655 10.0811 10.0811 10.2995 10.2995 k = 0.5000 0.3802 0.4615 ( 5788 PWs) bands (ev): -4.3589 -4.3589 -4.3531 -4.3531 -3.5786 -3.5786 -3.5695 -3.5695 -1.0898 -1.0898 -1.0175 -1.0175 -0.8903 -0.8903 -0.7780 -0.7780 0.0154 0.0154 0.3067 0.3067 0.6058 0.6058 0.7200 0.7200 0.9323 0.9323 0.9778 0.9778 1.5658 1.5658 1.7298 1.7298 2.2296 2.2296 2.3206 2.3206 3.9209 3.9209 3.9575 3.9575 4.7598 4.7598 4.8767 4.8767 5.9886 5.9886 6.0343 6.0343 6.1894 6.1894 6.3159 6.3159 9.1206 9.1206 9.1684 9.1684 10.0120 10.0120 10.0151 10.0151 10.2556 10.2556 k = 0.5000 0.3802 0.4405 ( 5784 PWs) bands (ev): -4.3696 -4.3696 -4.3635 -4.3635 -3.5683 -3.5683 -3.5577 -3.5577 -1.0971 -1.0971 -1.0233 -1.0233 -0.8863 -0.8863 -0.7795 -0.7795 0.0131 0.0131 0.2957 0.2957 0.6033 0.6033 0.7296 0.7296 0.9318 0.9318 0.9829 0.9829 1.5666 1.5666 1.7430 1.7430 2.2798 2.2798 2.3613 2.3613 3.9184 3.9185 3.9548 3.9548 4.7342 4.7342 4.8517 4.8517 5.9676 5.9676 6.0167 6.0167 6.1590 6.1590 6.2936 6.2936 9.1619 9.1619 9.2066 9.2066 9.9505 9.9505 9.9628 9.9628 10.2087 10.2087 k = 0.5000 0.3802 0.4195 ( 5780 PWs) bands (ev): -4.3812 -4.3812 -4.3749 -4.3749 -3.5565 -3.5565 -3.5444 -3.5444 -1.1040 -1.1040 -1.0284 -1.0284 -0.8819 -0.8819 -0.7794 -0.7794 0.0096 0.0096 0.2834 0.2834 0.6005 0.6005 0.7396 0.7396 0.9308 0.9308 0.9882 0.9882 1.5578 1.5578 1.7435 1.7435 2.3395 2.3395 2.4121 2.4121 3.9150 3.9150 3.9509 3.9509 4.7153 4.7153 4.8325 4.8325 5.9449 5.9449 5.9980 5.9980 6.1331 6.1331 6.2747 6.2747 9.1922 9.1922 9.2361 9.2361 9.8904 9.8904 9.9188 9.9188 10.1606 10.1606 k = 0.5000 0.3802 0.3985 ( 5764 PWs) bands (ev): -4.3934 -4.3934 -4.3869 -4.3869 -3.5434 -3.5434 -3.5297 -3.5297 -1.1104 -1.1104 -1.0330 -1.0330 -0.8772 -0.8772 -0.7776 -0.7776 0.0048 0.0048 0.2697 0.2697 0.5976 0.5976 0.7498 0.7498 0.9296 0.9296 0.9936 0.9936 1.5409 1.5409 1.7333 1.7333 2.4064 2.4064 2.4711 2.4711 3.9104 3.9104 3.9456 3.9456 4.7034 4.7034 4.8197 4.8197 5.9205 5.9205 5.9780 5.9780 6.1120 6.1120 6.2591 6.2591 9.2088 9.2088 9.2547 9.2547 9.8358 9.8358 9.8815 9.8815 10.1136 10.1136 k = 0.5000 0.3802 0.3776 ( 5772 PWs) bands (ev): -4.4061 -4.4061 -4.3996 -4.3996 -3.5290 -3.5290 -3.5140 -3.5140 -1.1162 -1.1162 -1.0371 -1.0371 -0.8719 -0.8719 -0.7742 -0.7742 -0.0012 -0.0012 0.2545 0.2546 0.5947 0.5947 0.7599 0.7599 0.9282 0.9282 0.9992 0.9992 1.5175 1.5175 1.7150 1.7150 2.4782 2.4782 2.5358 2.5358 3.9048 3.9048 3.9391 3.9391 4.6985 4.6985 4.8135 4.8135 5.8948 5.8948 5.9569 5.9569 6.0957 6.0957 6.2467 6.2467 9.2108 9.2108 9.2603 9.2603 9.7867 9.7867 9.8494 9.8494 10.0711 10.0711 k = 0.5000 0.3802 0.3566 ( 5774 PWs) bands (ev): -4.4192 -4.4192 -4.4126 -4.4126 -3.5136 -3.5136 -3.4974 -3.4974 -1.1213 -1.1213 -1.0408 -1.0408 -0.8660 -0.8660 -0.7694 -0.7693 -0.0084 -0.0084 0.2380 0.2380 0.5921 0.5921 0.7697 0.7697 0.9269 0.9269 1.0048 1.0048 1.4891 1.4891 1.6906 1.6906 2.5529 2.5529 2.6042 2.6042 3.8982 3.8982 3.9316 3.9316 4.7006 4.7006 4.8140 4.8141 5.8679 5.8679 5.9348 5.9348 6.0837 6.0837 6.2374 6.2374 9.1991 9.1991 9.2521 9.2521 9.7422 9.7422 9.8184 9.8184 10.0376 10.0376 k = 0.5000 0.3802 0.3356 ( 5774 PWs) bands (ev): -4.4324 -4.4324 -4.4259 -4.4259 -3.4973 -3.4973 -3.4801 -3.4801 -1.1257 -1.1257 -1.0443 -1.0443 -0.8594 -0.8594 -0.7631 -0.7631 -0.0168 -0.0168 0.2198 0.2198 0.5899 0.5899 0.7790 0.7790 0.9256 0.9256 1.0105 1.0105 1.4569 1.4569 1.6619 1.6619 2.6289 2.6289 2.6746 2.6746 3.8907 3.8907 3.9230 3.9230 4.7094 4.7094 4.8214 4.8214 5.8404 5.8404 5.9121 5.9121 6.0756 6.0756 6.2307 6.2307 9.1765 9.1765 9.2311 9.2311 9.6999 9.6999 9.7829 9.7829 10.0168 10.0168 k = 0.5000 0.3802 0.3146 ( 5772 PWs) bands (ev): -4.4457 -4.4457 -4.4393 -4.4393 -3.4804 -3.4804 -3.4623 -3.4623 -1.1293 -1.1293 -1.0476 -1.0476 -0.8518 -0.8518 -0.7556 -0.7556 -0.0264 -0.0264 0.2001 0.2001 0.5882 0.5882 0.7875 0.7875 0.9246 0.9246 1.0163 1.0163 1.4220 1.4220 1.6302 1.6302 2.7048 2.7048 2.7454 2.7454 3.8824 3.8824 3.9137 3.9137 4.7245 4.7245 4.8356 4.8356 5.8124 5.8124 5.8890 5.8890 6.0708 6.0708 6.2266 6.2266 9.1459 9.1459 9.2001 9.2001 9.6577 9.6577 9.7405 9.7405 10.0081 10.0081 k = 0.5000 0.3802 0.2937 ( 5774 PWs) bands (ev): -4.4588 -4.4588 -4.4526 -4.4526 -3.4630 -3.4630 -3.4444 -3.4444 -1.1322 -1.1322 -1.0508 -1.0508 -0.8433 -0.8432 -0.7470 -0.7470 -0.0372 -0.0372 0.1788 0.1788 0.5872 0.5872 0.7950 0.7950 0.9240 0.9240 1.0223 1.0223 1.3854 1.3854 1.5966 1.5966 2.7795 2.7795 2.8155 2.8155 3.8735 3.8735 3.9037 3.9037 4.7456 4.7456 4.8563 4.8563 5.7843 5.7843 5.8656 5.8656 6.0690 6.0690 6.2248 6.2248 9.1105 9.1105 9.1626 9.1626 9.6142 9.6142 9.6921 9.6921 10.0067 10.0067 k = 0.5000 0.3802 0.2727 ( 5778 PWs) bands (ev): -4.4716 -4.4716 -4.4656 -4.4656 -3.4455 -3.4455 -3.4265 -3.4265 -1.1342 -1.1342 -1.0539 -1.0539 -0.8335 -0.8335 -0.7374 -0.7374 -0.0490 -0.0490 0.1559 0.1559 0.5871 0.5871 0.8010 0.8010 0.9240 0.9240 1.0285 1.0285 1.3481 1.3481 1.5619 1.5619 2.8521 2.8521 2.8840 2.8840 3.8640 3.8640 3.8932 3.8932 4.7722 4.7722 4.8832 4.8832 5.7561 5.7561 5.8422 5.8422 6.0698 6.0698 6.2248 6.2248 9.0729 9.0729 9.1217 9.1217 9.5691 9.5691 9.6401 9.6401 10.0057 10.0057 k = 0.5000 0.3802 0.2517 ( 5788 PWs) bands (ev): -4.4839 -4.4839 -4.4783 -4.4783 -3.4280 -3.4280 -3.4089 -3.4089 -1.1355 -1.1355 -1.0571 -1.0571 -0.8227 -0.8227 -0.7270 -0.7270 -0.0617 -0.0617 0.1314 0.1314 0.5879 0.5879 0.8054 0.8054 0.9248 0.9248 1.0350 1.0350 1.3106 1.3106 1.5268 1.5268 2.9219 2.9219 2.9501 2.9501 3.8540 3.8540 3.8822 3.8822 4.8038 4.8038 4.9159 4.9159 5.7278 5.7278 5.8188 5.8188 6.0730 6.0730 6.2265 6.2265 9.0351 9.0351 9.0801 9.0801 9.5227 9.5227 9.5866 9.5866 9.9987 9.9987 k = 0.5000 0.3802 0.2307 ( 5780 PWs) bands (ev): -4.4957 -4.4957 -4.4904 -4.4904 -3.4107 -3.4107 -3.3918 -3.3918 -1.1360 -1.1360 -1.0604 -1.0604 -0.8106 -0.8106 -0.7159 -0.7159 -0.0751 -0.0751 0.1056 0.1056 0.5898 0.5898 0.8077 0.8077 0.9265 0.9265 1.0417 1.0417 1.2739 1.2739 1.4919 1.4919 2.9882 2.9882 3.0132 3.0132 3.8437 3.8437 3.8708 3.8708 4.8399 4.8399 4.9538 4.9538 5.6996 5.6996 5.7954 5.7954 6.0784 6.0784 6.2293 6.2293 8.9987 8.9987 9.0398 9.0398 9.4755 9.4755 9.5329 9.5329 9.9808 9.9808 k = 0.5000 0.3802 0.2098 ( 5788 PWs) bands (ev): -4.5068 -4.5068 -4.5019 -4.5019 -3.3939 -3.3939 -3.3754 -3.3754 -1.1357 -1.1357 -1.0638 -1.0638 -0.7973 -0.7973 -0.7043 -0.7043 -0.0891 -0.0891 0.0786 0.0786 0.5929 0.5929 0.8077 0.8077 0.9294 0.9294 1.0487 1.0487 1.2386 1.2386 1.4575 1.4575 3.0504 3.0504 3.0728 3.0728 3.8330 3.8330 3.8590 3.8590 4.8798 4.8798 4.9963 4.9963 5.6712 5.6712 5.7718 5.7718 6.0858 6.0858 6.2331 6.2331 8.9648 8.9648 9.0024 9.0024 9.4279 9.4279 9.4799 9.4799 9.9494 9.9494 k = 0.5000 0.3802 0.1888 ( 5792 PWs) bands (ev): -4.5172 -4.5172 -4.5126 -4.5126 -3.3777 -3.3777 -3.3600 -3.3600 -1.1348 -1.1348 -1.0673 -1.0673 -0.7830 -0.7830 -0.6926 -0.6926 -0.1034 -0.1034 0.0508 0.0508 0.5973 0.5973 0.8051 0.8051 0.9334 0.9334 1.0559 1.0559 1.2056 1.2056 1.4242 1.4242 3.1084 3.1084 3.1286 3.1286 3.8222 3.8222 3.8469 3.8469 4.9228 4.9228 5.0425 5.0425 5.6426 5.6426 5.7481 5.7481 6.0950 6.0950 6.2372 6.2372 8.9343 8.9343 8.9695 8.9695 9.3802 9.3802 9.4279 9.4279 9.9048 9.9048 k = 0.5000 0.3802 0.1678 ( 5800 PWs) bands (ev): -4.5266 -4.5266 -4.5225 -4.5225 -3.3625 -3.3625 -3.3458 -3.3458 -1.1332 -1.1332 -1.0710 -1.0710 -0.7677 -0.7677 -0.6809 -0.6809 -0.1176 -0.1176 0.0224 0.0224 0.6029 0.6029 0.8000 0.8000 0.9384 0.9384 1.0630 1.0630 1.1757 1.1757 1.3920 1.3920 3.1617 3.1617 3.1802 3.1802 3.8111 3.8111 3.8346 3.8346 4.9684 4.9684 5.0916 5.0916 5.6137 5.6137 5.7239 5.7239 6.1058 6.1058 6.2412 6.2412 8.9079 8.9079 8.9421 8.9421 9.3325 9.3325 9.3771 9.3771 9.8499 9.8499 k = 0.5000 0.3802 0.1468 ( 5802 PWs) bands (ev): -4.5351 -4.5351 -4.5315 -4.5315 -3.3483 -3.3483 -3.3330 -3.3330 -1.1311 -1.1310 -1.0748 -1.0748 -0.7516 -0.7516 -0.6698 -0.6698 -0.1313 -0.1313 -0.0060 -0.0060 0.6099 0.6099 0.7923 0.7923 0.9443 0.9443 1.0689 1.0689 1.1504 1.1504 1.3611 1.3611 3.2102 3.2102 3.2272 3.2272 3.8001 3.8001 3.8220 3.8220 5.0156 5.0156 5.1426 5.1426 5.5841 5.5841 5.6992 5.6992 6.1181 6.1181 6.2447 6.2447 8.8863 8.8863 8.9212 8.9212 9.2848 9.2848 9.3274 9.3274 9.7895 9.7895 k = 0.5000 0.3802 0.1259 ( 5798 PWs) bands (ev): -4.5426 -4.5426 -4.5395 -4.5395 -3.3354 -3.3354 -3.3217 -3.3217 -1.1284 -1.1284 -1.0788 -1.0788 -0.7350 -0.7350 -0.6596 -0.6596 -0.1439 -0.1439 -0.0339 -0.0339 0.6183 0.6183 0.7824 0.7824 0.9508 0.9508 1.0711 1.0711 1.1327 1.1327 1.3318 1.3318 3.2537 3.2537 3.2693 3.2693 3.7894 3.7894 3.8095 3.8095 5.0639 5.0639 5.1945 5.1945 5.5539 5.5539 5.6735 5.6735 6.1316 6.1316 6.2470 6.2470 8.8704 8.8704 8.9071 8.9071 9.2370 9.2370 9.2788 9.2788 9.7287 9.7287 k = 0.5000 0.3802 0.1049 ( 5798 PWs) bands (ev): -4.5490 -4.5490 -4.5463 -4.5463 -3.3240 -3.3240 -3.3121 -3.3121 -1.1252 -1.1252 -1.0830 -1.0830 -0.7182 -0.7182 -0.6510 -0.6510 -0.1547 -0.1547 -0.0608 -0.0608 0.6280 0.6280 0.7704 0.7704 0.9579 0.9579 1.0655 1.0655 1.1269 1.1269 1.3041 1.3041 3.2919 3.2919 3.3060 3.3060 3.7792 3.7792 3.7971 3.7971 5.1124 5.1124 5.2463 5.2463 5.5226 5.5226 5.6466 5.6466 6.1460 6.1460 6.2477 6.2477 8.8611 8.8611 8.9001 8.9001 9.1894 9.1894 9.2310 9.2310 9.6722 9.6722 k = 0.5000 0.3802 0.0839 ( 5808 PWs) bands (ev): -4.5542 -4.5542 -4.5521 -4.5521 -3.3141 -3.3141 -3.3044 -3.3044 -1.1217 -1.1217 -1.0873 -1.0873 -0.7017 -0.7017 -0.6446 -0.6446 -0.1630 -0.1630 -0.0861 -0.0861 0.6391 0.6391 0.7567 0.7567 0.9655 0.9655 1.0533 1.0533 1.1317 1.1317 1.2779 1.2779 3.3248 3.3248 3.3370 3.3370 3.7700 3.7700 3.7854 3.7854 5.1605 5.1605 5.2970 5.2970 5.4903 5.4903 5.6182 5.6182 6.1609 6.1609 6.2465 6.2465 8.8588 8.8588 8.8996 8.8996 9.1426 9.1426 9.1843 9.1843 9.6236 9.6236 k = 0.5000 0.3802 0.0629 ( 5804 PWs) bands (ev): -4.5583 -4.5583 -4.5567 -4.5567 -3.3060 -3.3060 -3.2985 -3.2985 -1.1178 -1.1178 -1.0916 -1.0916 -0.6860 -0.6860 -0.6408 -0.6408 -0.1680 -0.1680 -0.1090 -0.1090 0.6514 0.6514 0.7419 0.7419 0.9736 0.9736 1.0392 1.0392 1.1423 1.1423 1.2535 1.2535 3.3517 3.3517 3.3616 3.3616 3.7623 3.7623 3.7746 3.7746 5.2076 5.2076 5.3453 5.3453 5.4571 5.4571 5.5879 5.5879 6.1761 6.1761 6.2429 6.2429 8.8638 8.8638 8.9048 8.9048 9.0986 9.0986 9.1395 9.1395 9.5853 9.5853 k = 0.5000 0.3802 0.0420 ( 5804 PWs) bands (ev): -4.5611 -4.5611 -4.5600 -4.5600 -3.2998 -3.2998 -3.2947 -3.2947 -1.1137 -1.1137 -1.0961 -1.0961 -0.6716 -0.6716 -0.6403 -0.6403 -0.1691 -0.1691 -0.1291 -0.1291 0.6649 0.6649 0.7263 0.7263 0.9823 0.9823 1.0256 1.0256 1.1560 1.1560 1.2306 1.2306 3.3722 3.3722 3.3792 3.3792 3.7569 3.7569 3.7655 3.7655 5.2532 5.2532 5.3863 5.3863 5.4271 5.4271 5.5553 5.5553 6.1909 6.1909 6.2368 6.2368 8.8756 8.8756 8.9128 8.9128 9.0615 9.0615 9.0982 9.0982 9.5587 9.5587 k = 0.5000 0.3802 0.0210 ( 5816 PWs) bands (ev): -4.5627 -4.5627 -4.5622 -4.5622 -3.2954 -3.2954 -3.2929 -3.2929 -1.1094 -1.1094 -1.1006 -1.1006 -0.6594 -0.6594 -0.6433 -0.6433 -0.1658 -0.1658 -0.1456 -0.1456 0.6794 0.6794 0.7104 0.7104 0.9917 0.9917 1.0131 1.0131 1.1720 1.1720 1.2094 1.2094 3.3856 3.3856 3.3893 3.3893 3.7543 3.7543 3.7588 3.7588 5.2970 5.2970 5.3760 5.3760 5.4437 5.4437 5.5202 5.5202 6.2049 6.2049 6.2283 6.2283 8.8923 8.8923 8.9170 8.9170 9.0391 9.0391 9.0633 9.0633 9.5440 9.5440 k = 0.5000 0.3802 0.0000 ( 5798 PWs) bands (ev): -4.5631 -4.5631 -4.5631 -4.5631 -3.2931 -3.2931 -3.2931 -3.2931 -1.1050 -1.1050 -1.1050 -1.1050 -0.6497 -0.6497 -0.6497 -0.6497 -0.1579 -0.1579 -0.1579 -0.1579 0.6946 0.6946 0.6947 0.6947 1.0019 1.0019 1.0019 1.0019 1.1899 1.1899 1.1899 1.1899 3.3914 3.3914 3.3914 3.3914 3.7549 3.7549 3.7549 3.7549 5.3384 5.3384 5.3384 5.3384 5.4826 5.4826 5.4826 5.4826 6.2175 6.2175 6.2175 6.2175 8.9091 8.9091 8.9091 8.9091 9.0406 9.0406 9.0406 9.0406 9.5415 9.5415 k = 0.0000 0.0000 0.8261 ( 5772 PWs) bands (ev): -4.3099 -4.3099 -4.3060 -4.3060 -3.5934 -3.5934 -3.5880 -3.5880 -0.9952 -0.9952 -0.9731 -0.9731 -0.7572 -0.7572 -0.7076 -0.7076 -0.0136 -0.0136 0.2543 0.2543 0.5904 0.5904 0.7180 0.7180 0.8669 0.8669 0.9222 0.9222 1.0368 1.0368 1.0624 1.0624 2.1708 2.1708 2.3239 2.3239 3.9157 3.9157 3.9192 3.9192 5.4218 5.4218 5.4564 5.4564 6.1836 6.1836 6.1972 6.1972 6.8612 6.8612 6.8844 6.8844 8.4104 8.4104 8.4374 8.4374 9.6816 9.6816 9.6992 9.6992 10.9012 10.9012 k = 0.0167 0.0127 0.8261 ( 5764 PWs) bands (ev): -4.3101 -4.3097 -4.3060 -4.3060 -3.5938 -3.5930 -3.5883 -3.5877 -1.0001 -0.9899 -0.9776 -0.9684 -0.7597 -0.7550 -0.7114 -0.7047 -0.0354 0.0093 0.2531 0.2557 0.5876 0.5936 0.7140 0.7225 0.8622 0.8699 0.9072 0.9344 1.0307 1.0489 1.0566 1.0732 2.1620 2.1702 2.3139 2.3235 3.9191 3.9230 3.9233 3.9256 5.4186 5.4236 5.4558 5.4564 6.1795 6.1872 6.1969 6.1973 6.8488 6.8622 6.8691 6.8879 8.4103 8.4246 8.4401 8.4487 9.6797 9.6811 9.6974 9.6982 10.8959 10.9035 k = 0.0333 0.0253 0.8261 ( 5768 PWs) bands (ev): -4.3102 -4.3094 -4.3059 -4.3059 -3.5943 -3.5927 -3.5887 -3.5876 -1.0046 -0.9842 -0.9821 -0.9636 -0.7624 -0.7532 -0.7159 -0.7029 -0.0559 0.0328 0.2521 0.2572 0.5853 0.5971 0.7104 0.7274 0.8560 0.8711 0.8917 0.9409 1.0337 1.0554 1.0649 1.0887 2.1442 2.1605 2.2940 2.3130 3.9330 3.9378 3.9404 3.9421 5.4140 5.4242 5.4546 5.4557 6.1747 6.1904 6.1961 6.1974 6.8257 6.8433 6.8521 6.8793 8.4244 8.4518 8.4565 8.4731 9.6754 9.6782 9.6926 9.6941 10.8879 10.9012 k = 0.0500 0.0380 0.8261 ( 5768 PWs) bands (ev): -4.3103 -4.3091 -4.3059 -4.3058 -3.5948 -3.5924 -3.5891 -3.5875 -1.0085 -0.9864 -0.9781 -0.9588 -0.7653 -0.7518 -0.7210 -0.7021 -0.0749 0.0567 0.2513 0.2589 0.5837 0.6010 0.7073 0.7327 0.8490 0.8706 0.8766 0.9405 1.0467 1.0584 1.0839 1.1088 2.1185 2.1420 2.2651 2.2929 3.9566 3.9621 3.9672 3.9675 5.4079 5.4236 5.4528 5.4544 6.1691 6.1933 6.1945 6.1978 6.7933 6.8088 6.8322 6.8594 8.4519 8.4858 8.4906 8.5095 9.6684 9.6726 9.6846 9.6871 10.8777 10.8924 k = 0.0667 0.0507 0.8261 ( 5774 PWs) bands (ev): -4.3103 -4.3088 -4.3058 -4.3057 -3.5953 -3.5922 -3.5896 -3.5876 -1.0121 -0.9905 -0.9716 -0.9540 -0.7683 -0.7509 -0.7266 -0.7025 -0.0921 0.0806 0.2507 0.2607 0.5826 0.6051 0.7044 0.7383 0.8418 0.8624 0.8688 0.9352 1.0653 1.0675 1.1054 1.1331 2.0858 2.1157 2.2282 2.2643 3.9891 3.9948 4.0005 4.0020 5.4002 5.4218 5.4502 5.4524 6.1625 6.1916 6.1961 6.1987 6.7534 6.7680 6.8040 6.8294 8.4915 8.5265 8.5390 8.5562 9.6585 9.6643 9.6733 9.6767 10.8658 10.8819 k = 0.0833 0.0634 0.8261 ( 5774 PWs) bands (ev): -4.3103 -4.3084 -4.3057 -4.3056 -3.5959 -3.5920 -3.5902 -3.5877 -1.0151 -0.9944 -0.9649 -0.9492 -0.7712 -0.7504 -0.7324 -0.7040 -0.1076 0.1040 0.2503 0.2624 0.5821 0.6094 0.7018 0.7442 0.8350 0.8493 0.8659 0.9277 1.0757 1.0934 1.1291 1.1613 2.0476 2.0827 2.1848 2.2284 4.0289 4.0346 4.0395 4.0433 5.3908 5.4190 5.4470 5.4497 6.1547 6.1871 6.1987 6.2003 6.7080 6.7236 6.7698 6.7912 8.5414 8.5768 8.5952 8.6111 9.6455 9.6530 9.6584 9.6627 10.8528 10.8700 k = 0.1000 0.0760 0.8261 ( 5770 PWs) bands (ev): -4.3103 -4.3081 -4.3055 -4.3055 -3.5965 -3.5919 -3.5908 -3.5879 -1.0177 -0.9982 -0.9579 -0.9445 -0.7740 -0.7504 -0.7383 -0.7066 -0.1211 0.1267 0.2500 0.2641 0.5822 0.6139 0.6992 0.7502 0.8292 0.8373 0.8622 0.9192 1.0893 1.1225 1.1548 1.1931 2.0054 2.0444 2.1360 2.1867 4.0745 4.0798 4.0827 4.0894 5.3796 5.4151 5.4429 5.4464 6.1457 6.1806 6.2013 6.2030 6.6593 6.6780 6.7319 6.7470 8.5996 8.6348 8.6574 8.6726 9.6290 9.6382 9.6393 9.6448 10.8393 10.8574 k = 0.1167 0.0887 0.8261 ( 5774 PWs) bands (ev): -4.3103 -4.3077 -4.3054 -4.3053 -3.5971 -3.5918 -3.5914 -3.5881 -1.0198 -1.0017 -0.9509 -0.9400 -0.7766 -0.7508 -0.7443 -0.7102 -0.1329 0.1481 0.2498 0.2655 0.5829 0.6185 0.6965 0.7564 0.8249 0.8264 0.8580 0.9105 1.1058 1.1537 1.1825 1.2281 1.9608 2.0021 2.0832 2.1406 4.1241 4.1282 4.1283 4.1387 5.3667 5.4103 5.4379 5.4423 6.1353 6.1714 6.2040 6.2070 6.6092 6.6340 6.6925 6.6988 8.6642 8.6988 8.7238 8.7388 9.6087 9.6159 9.6196 9.6226 10.8260 10.8444 k = 0.1333 0.1014 0.8261 ( 5770 PWs) bands (ev): -4.3102 -4.3073 -4.3052 -4.3052 -3.5976 -3.5920 -3.5917 -3.5884 -1.0215 -1.0051 -0.9438 -0.9357 -0.7788 -0.7514 -0.7501 -0.7146 -0.1428 0.1681 0.2498 0.2666 0.5840 0.6232 0.6934 0.7626 0.8167 0.8223 0.8533 0.9018 1.1252 1.1860 1.2119 1.2662 1.9154 1.9571 2.0275 2.0914 4.1744 4.1758 4.1785 4.1892 5.3520 5.4049 5.4320 5.4377 6.1236 6.1594 6.2068 6.2126 6.5595 6.5936 6.6484 6.6536 8.7336 8.7670 8.7932 8.8083 9.5841 9.5876 9.5957 9.5969 10.8134 10.8316 k = 0.1500 0.1141 0.8261 ( 5774 PWs) bands (ev): -4.3101 -4.3069 -4.3051 -4.3051 -3.5982 -3.5925 -3.5916 -3.5887 -1.0227 -1.0082 -0.9369 -0.9317 -0.7806 -0.7557 -0.7523 -0.7195 -0.1510 0.1863 0.2497 0.2674 0.5855 0.6280 0.6898 0.7689 0.8082 0.8215 0.8484 0.8933 1.1472 1.2181 1.2427 1.3072 1.8713 1.9109 1.9697 2.0403 4.2194 4.2277 4.2284 4.2389 5.3361 5.3989 5.4251 5.4327 6.1110 6.1446 6.2100 6.2200 6.5120 6.5588 6.5975 6.6169 8.8062 8.8380 8.8642 8.8798 9.5542 9.5550 9.5640 9.5696 10.8021 10.8194 k = 0.1667 0.1267 0.8261 ( 5762 PWs) bands (ev): -4.3100 -4.3066 -4.3050 -4.3049 -3.5986 -3.5930 -3.5915 -3.5891 -1.0235 -1.0111 -0.9304 -0.9280 -0.7819 -0.7609 -0.7533 -0.7247 -0.1577 0.2026 0.2497 0.2675 0.5871 0.6330 0.6856 0.7751 0.8008 0.8226 0.8433 0.8850 1.1715 1.2486 1.2744 1.3507 1.8306 1.8647 1.9110 1.9888 4.2615 4.2760 4.2777 4.2860 5.3192 5.3927 5.4173 5.4274 6.0980 6.1276 6.2135 6.2297 6.4681 6.5307 6.5477 6.5838 8.8806 8.9105 8.9357 8.9518 9.5154 9.5211 9.5271 9.5375 10.7925 10.8082 k = 0.1833 0.1394 0.8261 ( 5770 PWs) bands (ev): -4.3100 -4.3062 -4.3050 -4.3048 -3.5991 -3.5934 -3.5914 -3.5894 -1.0239 -1.0137 -0.9249 -0.9245 -0.7826 -0.7657 -0.7544 -0.7297 -0.1629 0.2168 0.2497 0.2669 0.5887 0.6381 0.6810 0.7810 0.7947 0.8253 0.8382 0.8770 1.1977 1.2753 1.3060 1.3966 1.7961 1.8202 1.8519 1.9380 4.2990 4.3194 4.3237 4.3284 5.3024 5.3870 5.4089 5.4222 6.0854 6.1097 6.2174 6.2417 6.4293 6.5004 6.5098 6.5551 8.9556 8.9833 9.0068 9.0234 9.4711 9.4824 9.4851 9.5004 10.7848 10.7983 k = 0.2000 0.1521 0.8261 ( 5764 PWs) bands (ev): -4.3099 -4.3059 -4.3050 -4.3047 -3.5994 -3.5938 -3.5913 -3.5898 -1.0238 -1.0161 -0.9224 -0.9194 -0.7828 -0.7700 -0.7553 -0.7342 -0.1668 0.2291 0.2497 0.2655 0.5902 0.6433 0.6759 0.7867 0.7898 0.8293 0.8333 0.8691 1.2247 1.2955 1.3360 1.4443 1.7709 1.7796 1.7935 1.8895 4.3303 4.3563 4.3631 4.3638 5.2869 5.3823 5.4003 5.4175 6.0743 6.0927 6.2216 6.2564 6.3967 6.4568 6.4959 6.5313 9.0302 9.0552 9.0763 9.0933 9.4214 9.4381 9.4388 9.4585 10.7792 10.7900 k = 0.2167 0.1647 0.8261 ( 5758 PWs) bands (ev): -4.3099 -4.3056 -4.3050 -4.3046 -3.5996 -3.5940 -3.5911 -3.5901 -1.0234 -1.0182 -0.9205 -0.9155 -0.7823 -0.7737 -0.7561 -0.7377 -0.1695 0.2393 0.2498 0.2630 0.5914 0.6486 0.6706 0.7863 0.7916 0.8288 0.8345 0.8615 1.2514 1.3064 1.3621 1.4929 1.7371 1.7457 1.7584 1.8450 4.3539 4.3850 4.3904 4.3937 5.2741 5.3794 5.3923 5.4137 6.0661 6.0782 6.2257 6.2731 6.3716 6.4184 6.4883 6.5126 9.1035 9.1251 9.1431 9.1600 9.3665 9.3867 9.3908 9.4123 10.7759 10.7833 k = 0.2333 0.1774 0.8261 ( 5756 PWs) bands (ev): -4.3098 -4.3054 -4.3051 -4.3046 -3.5998 -3.5942 -3.5909 -3.5904 -1.0226 -1.0200 -0.9193 -0.9130 -0.7811 -0.7768 -0.7566 -0.7400 -0.1711 0.2477 0.2498 0.2594 0.5922 0.6540 0.6651 0.7842 0.7954 0.8253 0.8405 0.8541 1.2758 1.3060 1.3805 1.5389 1.6863 1.7224 1.7607 1.8068 4.3685 4.4037 4.4065 4.4131 5.2656 5.3788 5.3855 5.4112 6.0618 6.0678 6.2290 6.2898 6.3554 6.3885 6.4866 6.4989 9.1745 9.1906 9.2045 9.2203 9.3067 9.3333 9.3401 9.3646 10.7747 10.7785 k = 0.2500 0.1901 0.8261 ( 5752 PWs) bands (ev): -4.3098 -4.3052 -4.3052 -4.3046 -3.5998 -3.5943 -3.5907 -3.5907 -1.0215 -1.0215 -0.9189 -0.9122 -0.7793 -0.7793 -0.7568 -0.7408 -0.1716 0.2498 0.2543 0.2543 0.5925 0.6596 0.6596 0.7834 0.7968 0.8240 0.8471 0.8471 1.2950 1.2950 1.3873 1.5644 1.6592 1.7140 1.7776 1.7776 4.3735 4.4110 4.4110 4.4197 5.2626 5.3809 5.3809 5.4103 6.0622 6.0622 6.2303 6.2983 6.3498 6.3755 6.4902 6.4902 9.2370 9.2370 9.2417 9.2432 9.2546 9.3011 9.3011 9.3345 10.7756 10.7756 Writing output data file SiHgP2.save init_run : 4.78s CPU 12.82s WALL ( 1 calls) electrons : 1720.49s CPU 1734.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.66s CPU 1.45s WALL ( 1 calls) Called by electrons: c_bands : 1720.46s CPU 1733.82s WALL ( 1 calls) v_of_rho : 0.22s CPU 0.78s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.19s CPU 0.64s WALL ( 1 calls) newd : 1.07s CPU 1.31s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.31s WALL ( 275 calls) cegterg : 1646.03s CPU 1656.30s WALL ( 765 calls) Called by sum_band: Called by *egterg: h_psi : 907.11s CPU 919.39s WALL ( 13872 calls) s_psi : 107.44s CPU 108.00s WALL ( 13872 calls) g_psi : 1.50s CPU 1.49s WALL ( 12832 calls) cdiaghg : 450.56s CPU 447.90s WALL ( 13107 calls) cegterg:over : 124.99s CPU 122.25s WALL ( 12832 calls) cegterg:upda : 29.84s CPU 33.59s WALL ( 12832 calls) cegterg:last : 26.49s CPU 27.45s WALL ( 2585 calls) Called by h_psi: h_psi:vloc : 712.65s CPU 721.76s WALL ( 13872 calls) h_psi:vnl : 193.82s CPU 196.10s WALL ( 13872 calls) add_vuspsi : 80.43s CPU 84.57s WALL ( 13872 calls) General routines calbec : 113.31s CPU 111.38s WALL ( 13872 calls) fft : 1.21s CPU 1.82s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 665.25s CPU 670.58s WALL ( 1899788 calls) interpolate : 0.23s CPU 0.26s WALL ( 4 calls) davcio : 0.03s CPU 1.06s WALL ( 550 calls) Parallel routines fft_scatter : 378.39s CPU 383.10s WALL ( 1899811 calls) PWSCF : 29m46.28s CPU 31m58.16s WALL This run was terminated on: 10:36:45 19Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=