Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:42: 0 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaTiF6.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 72 72 20 2457 2457 358 Max 73 73 21 2460 2460 362 Sum 2623 2623 733 88515 88515 12939 bravais-lattice index = 14 lattice parameter (alat) = 10.9056 a.u. unit-cell volume = 917.1378 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.905606 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866026 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154700 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Ca 10.00 40.07800 Ca( 1.00) Ti 12.00 47.86700 Ti( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cryst. axis [0,1,0] cryst. s( 2) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( -0.4999997 -0.8660255 -0.0000000 ) ( -0.8660255 0.4999997 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 4) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( 0.4999997 0.8660255 0.0000000 ) ( 0.8660255 -0.4999997 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cryst. axis [0,1,0] -C2 -2 180 deg rotation - cryst. axis [0,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cryst. axis [0,1,0] -s_h -4 inv. 180 deg rotation - cryst. axis [0,1,0] E Cartesian axes number of k points= 250 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 2) = ( 0.0147059 -0.0084904 -0.0060036), wk = 0.0040000 k( 3) = ( 0.0294118 -0.0169809 -0.0120073), wk = 0.0040000 k( 4) = ( 0.0441177 -0.0254713 -0.0180109), wk = 0.0040000 k( 5) = ( 0.0588235 -0.0339618 -0.0240146), wk = 0.0040000 k( 6) = ( 0.0735294 -0.0424522 -0.0300182), wk = 0.0040000 k( 7) = ( 0.0882353 -0.0509426 -0.0360219), wk = 0.0040000 k( 8) = ( 0.1029412 -0.0594331 -0.0420255), wk = 0.0040000 k( 9) = ( 0.1176471 -0.0679235 -0.0480292), wk = 0.0040000 k( 10) = ( 0.1323529 -0.0764140 -0.0540328), wk = 0.0040000 k( 11) = ( 0.1470588 -0.0849044 -0.0600365), wk = 0.0040000 k( 12) = ( 0.1617647 -0.0933948 -0.0660401), wk = 0.0040000 k( 13) = ( 0.1764706 -0.1018853 -0.0720438), wk = 0.0040000 k( 14) = ( 0.1911765 -0.1103757 -0.0780474), wk = 0.0040000 k( 15) = ( 0.2058823 -0.1188662 -0.0840511), wk = 0.0040000 k( 16) = ( 0.2205882 -0.1273566 -0.0900547), wk = 0.0040000 k( 17) = ( 0.2352941 -0.1358470 -0.0960584), wk = 0.0040000 k( 18) = ( 0.2500000 -0.1443375 -0.1020620), wk = 0.0040000 k( 19) = ( 0.2647059 -0.1528279 -0.1080657), wk = 0.0040000 k( 20) = ( 0.2794118 -0.1613183 -0.1140693), wk = 0.0040000 k( 21) = ( 0.2941177 -0.1698088 -0.1200730), wk = 0.0040000 k( 22) = ( 0.3088235 -0.1782992 -0.1260766), wk = 0.0040000 k( 23) = ( 0.3235294 -0.1867897 -0.1320803), wk = 0.0040000 k( 24) = ( 0.3382353 -0.1952801 -0.1380839), wk = 0.0040000 k( 25) = ( 0.3529412 -0.2037705 -0.1440876), wk = 0.0040000 k( 26) = ( 0.3676471 -0.2122610 -0.1500912), wk = 0.0040000 k( 27) = ( 0.3823529 -0.2207514 -0.1560948), wk = 0.0040000 k( 28) = ( 0.3970588 -0.2292419 -0.1620985), wk = 0.0040000 k( 29) = ( 0.4117647 -0.2377323 -0.1681021), wk = 0.0040000 k( 30) = ( 0.4264706 -0.2462227 -0.1741058), wk = 0.0040000 k( 31) = ( 0.4411765 -0.2547132 -0.1801094), wk = 0.0040000 k( 32) = ( 0.4558823 -0.2632036 -0.1861131), wk = 0.0040000 k( 33) = ( 0.4705882 -0.2716941 -0.1921167), wk = 0.0040000 k( 34) = ( 0.4852941 -0.2801845 -0.1981204), wk = 0.0040000 k( 35) = ( 0.5000000 -0.2886749 -0.2041240), wk = 0.0040000 k( 36) = ( 0.5000000 -0.2886749 -0.2041240), wk = 0.0040000 k( 37) = ( 0.5000000 -0.2783651 -0.2187043), wk = 0.0040000 k( 38) = ( 0.5000000 -0.2680553 -0.2332846), wk = 0.0040000 k( 39) = ( 0.5000000 -0.2577455 -0.2478649), wk = 0.0040000 k( 40) = ( 0.5000000 -0.2474356 -0.2624452), wk = 0.0040000 k( 41) = ( 0.5000000 -0.2371258 -0.2770255), wk = 0.0040000 k( 42) = ( 0.5000000 -0.2268160 -0.2916058), wk = 0.0040000 k( 43) = ( 0.5000000 -0.2165061 -0.3061861), wk = 0.0040000 k( 44) = ( 0.5000000 -0.2061963 -0.3207664), wk = 0.0040000 k( 45) = ( 0.5000000 -0.1958865 -0.3353467), wk = 0.0040000 k( 46) = ( 0.5000000 -0.1855767 -0.3499270), wk = 0.0040000 k( 47) = ( 0.5000000 -0.1752668 -0.3645073), wk = 0.0040000 k( 48) = ( 0.5000000 -0.1649570 -0.3790876), wk = 0.0040000 k( 49) = ( 0.5000000 -0.1546472 -0.3936679), wk = 0.0040000 k( 50) = ( 0.5000000 -0.1443374 -0.4082482), wk = 0.0040000 k( 51) = ( 0.5000000 -0.1340275 -0.4228285), wk = 0.0040000 k( 52) = ( 0.5000000 -0.1237177 -0.4374088), wk = 0.0040000 k( 53) = ( 0.5000000 -0.1134079 -0.4519891), wk = 0.0040000 k( 54) = ( 0.5000000 -0.1030980 -0.4665694), wk = 0.0040000 k( 55) = ( 0.5000000 -0.0927882 -0.4811496), wk = 0.0040000 k( 56) = ( 0.5000000 -0.0824784 -0.4957299), wk = 0.0040000 k( 57) = ( 0.5000000 -0.0721686 -0.5103102), wk = 0.0040000 k( 58) = ( 0.5000000 -0.0618587 -0.5248905), wk = 0.0040000 k( 59) = ( 0.5000000 -0.0515489 -0.5394708), wk = 0.0040000 k( 60) = ( 0.5000000 -0.0412391 -0.5540511), wk = 0.0040000 k( 61) = ( 0.5000000 -0.0309293 -0.5686314), wk = 0.0040000 k( 62) = ( 0.5000000 -0.0206194 -0.5832117), wk = 0.0040000 k( 63) = ( 0.5000000 -0.0103096 -0.5977920), wk = 0.0040000 k( 64) = ( 0.5000000 0.0000002 -0.6123723), wk = 0.0040000 k( 65) = ( 0.7499999 0.1443378 -0.2041238), wk = 0.0040000 k( 66) = ( 0.7410714 0.1494927 -0.1895435), wk = 0.0040000 k( 67) = ( 0.7321428 0.1546476 -0.1749633), wk = 0.0040000 k( 68) = ( 0.7232142 0.1598025 -0.1603830), wk = 0.0040000 k( 69) = ( 0.7142857 0.1649574 -0.1458027), wk = 0.0040000 k( 70) = ( 0.7053571 0.1701123 -0.1312224), wk = 0.0040000 k( 71) = ( 0.6964285 0.1752672 -0.1166421), wk = 0.0040000 k( 72) = ( 0.6874999 0.1804222 -0.1020618), wk = 0.0040000 k( 73) = ( 0.6785714 0.1855771 -0.0874815), wk = 0.0040000 k( 74) = ( 0.6696428 0.1907320 -0.0729012), wk = 0.0040000 k( 75) = ( 0.6607142 0.1958869 -0.0583210), wk = 0.0040000 k( 76) = ( 0.6517857 0.2010418 -0.0437407), wk = 0.0040000 k( 77) = ( 0.6428571 0.2061967 -0.0291604), wk = 0.0040000 k( 78) = ( 0.6339285 0.2113516 -0.0145801), wk = 0.0040000 k( 79) = ( 0.6250000 0.2165065 0.0000002), wk = 0.0040000 k( 80) = ( 0.6160714 0.2216614 0.0145805), wk = 0.0040000 k( 81) = ( 0.6071428 0.2268163 0.0291608), wk = 0.0040000 k( 82) = ( 0.5982143 0.2319712 0.0437411), wk = 0.0040000 k( 83) = ( 0.5892857 0.2371261 0.0583214), wk = 0.0040000 k( 84) = ( 0.5803571 0.2422811 0.0729016), wk = 0.0040000 k( 85) = ( 0.5714286 0.2474360 0.0874819), wk = 0.0040000 k( 86) = ( 0.5625000 0.2525909 0.1020622), wk = 0.0040000 k( 87) = ( 0.5535714 0.2577458 0.1166425), wk = 0.0040000 k( 88) = ( 0.5446429 0.2629007 0.1312228), wk = 0.0040000 k( 89) = ( 0.5357143 0.2680556 0.1458031), wk = 0.0040000 k( 90) = ( 0.5267857 0.2732105 0.1603834), wk = 0.0040000 k( 91) = ( 0.5178571 0.2783654 0.1749637), wk = 0.0040000 k( 92) = ( 0.5089286 0.2835203 0.1895439), wk = 0.0040000 k( 93) = ( 0.5000000 0.2886752 0.2041242), wk = 0.0040000 k( 94) = ( 0.5000000 0.2886752 0.2041242), wk = 0.0040000 k( 95) = ( 0.4852941 0.2801848 0.1981206), wk = 0.0040000 k( 96) = ( 0.4705882 0.2716943 0.1921169), wk = 0.0040000 k( 97) = ( 0.4558823 0.2632039 0.1861133), wk = 0.0040000 k( 98) = ( 0.4411765 0.2547134 0.1801096), wk = 0.0040000 k( 99) = ( 0.4264706 0.2462230 0.1741060), wk = 0.0040000 k( 100) = ( 0.4117647 0.2377325 0.1681023), wk = 0.0040000 k( 101) = ( 0.3970588 0.2292421 0.1620987), wk = 0.0040000 k( 102) = ( 0.3823529 0.2207516 0.1560950), wk = 0.0040000 k( 103) = ( 0.3676471 0.2122612 0.1500914), wk = 0.0040000 k( 104) = ( 0.3529412 0.2037708 0.1440877), wk = 0.0040000 k( 105) = ( 0.3382353 0.1952803 0.1380840), wk = 0.0040000 k( 106) = ( 0.3235294 0.1867899 0.1320804), wk = 0.0040000 k( 107) = ( 0.3088235 0.1782994 0.1260767), wk = 0.0040000 k( 108) = ( 0.2941177 0.1698090 0.1200731), wk = 0.0040000 k( 109) = ( 0.2794118 0.1613185 0.1140694), wk = 0.0040000 k( 110) = ( 0.2647059 0.1528281 0.1080658), wk = 0.0040000 k( 111) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0040000 k( 112) = ( 0.2352941 0.1358472 0.0960585), wk = 0.0040000 k( 113) = ( 0.2205882 0.1273567 0.0900548), wk = 0.0040000 k( 114) = ( 0.2058823 0.1188663 0.0840512), wk = 0.0040000 k( 115) = ( 0.1911765 0.1103758 0.0780475), wk = 0.0040000 k( 116) = ( 0.1764706 0.1018854 0.0720438), wk = 0.0040000 k( 117) = ( 0.1617647 0.0933949 0.0660402), wk = 0.0040000 k( 118) = ( 0.1470588 0.0849045 0.0600365), wk = 0.0040000 k( 119) = ( 0.1323529 0.0764140 0.0540329), wk = 0.0040000 k( 120) = ( 0.1176471 0.0679236 0.0480292), wk = 0.0040000 k( 121) = ( 0.1029412 0.0594331 0.0420256), wk = 0.0040000 k( 122) = ( 0.0882353 0.0509427 0.0360219), wk = 0.0040000 k( 123) = ( 0.0735294 0.0424522 0.0300183), wk = 0.0040000 k( 124) = ( 0.0588235 0.0339618 0.0240146), wk = 0.0040000 k( 125) = ( 0.0441177 0.0254713 0.0180110), wk = 0.0040000 k( 126) = ( 0.0294118 0.0169809 0.0120073), wk = 0.0040000 k( 127) = ( 0.0147059 0.0084904 0.0060037), wk = 0.0040000 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 130) = ( 0.0091463 -0.0052806 -0.0149359), wk = 0.0040000 k( 131) = ( 0.0182927 -0.0105613 -0.0298718), wk = 0.0040000 k( 132) = ( 0.0274390 -0.0158419 -0.0448077), wk = 0.0040000 k( 133) = ( 0.0365854 -0.0211226 -0.0597436), wk = 0.0040000 k( 134) = ( 0.0457317 -0.0264032 -0.0746795), wk = 0.0040000 k( 135) = ( 0.0548780 -0.0316838 -0.0896155), wk = 0.0040000 k( 136) = ( 0.0640244 -0.0369645 -0.1045514), wk = 0.0040000 k( 137) = ( 0.0731707 -0.0422451 -0.1194873), wk = 0.0040000 k( 138) = ( 0.0823171 -0.0475258 -0.1344232), wk = 0.0040000 k( 139) = ( 0.0914634 -0.0528064 -0.1493591), wk = 0.0040000 k( 140) = ( 0.1006098 -0.0580870 -0.1642950), wk = 0.0040000 k( 141) = ( 0.1097561 -0.0633677 -0.1792309), wk = 0.0040000 k( 142) = ( 0.1189025 -0.0686483 -0.1941668), wk = 0.0040000 k( 143) = ( 0.1280488 -0.0739290 -0.2091027), wk = 0.0040000 k( 144) = ( 0.1371951 -0.0792096 -0.2240386), wk = 0.0040000 k( 145) = ( 0.1463415 -0.0844902 -0.2389746), wk = 0.0040000 k( 146) = ( 0.1554878 -0.0897709 -0.2539105), wk = 0.0040000 k( 147) = ( 0.1646342 -0.0950515 -0.2688464), wk = 0.0040000 k( 148) = ( 0.1737805 -0.1003322 -0.2837823), wk = 0.0040000 k( 149) = ( 0.1829268 -0.1056128 -0.2987182), wk = 0.0040000 k( 150) = ( 0.1920732 -0.1108934 -0.3136541), wk = 0.0040000 k( 151) = ( 0.2012195 -0.1161741 -0.3285900), wk = 0.0040000 k( 152) = ( 0.2103659 -0.1214547 -0.3435259), wk = 0.0040000 k( 153) = ( 0.2195122 -0.1267353 -0.3584618), wk = 0.0040000 k( 154) = ( 0.2286586 -0.1320160 -0.3733978), wk = 0.0040000 k( 155) = ( 0.2378049 -0.1372966 -0.3883337), wk = 0.0040000 k( 156) = ( 0.2469512 -0.1425773 -0.4032696), wk = 0.0040000 k( 157) = ( 0.2560976 -0.1478579 -0.4182055), wk = 0.0040000 k( 158) = ( 0.2652439 -0.1531385 -0.4331414), wk = 0.0040000 k( 159) = ( 0.2743903 -0.1584192 -0.4480773), wk = 0.0040000 k( 160) = ( 0.2835366 -0.1636998 -0.4630132), wk = 0.0040000 k( 161) = ( 0.2926829 -0.1689805 -0.4779491), wk = 0.0040000 k( 162) = ( 0.3018293 -0.1742611 -0.4928850), wk = 0.0040000 k( 163) = ( 0.3109756 -0.1795417 -0.5078209), wk = 0.0040000 k( 164) = ( 0.3201220 -0.1848224 -0.5227569), wk = 0.0040000 k( 165) = ( 0.3292683 -0.1901030 -0.5376928), wk = 0.0040000 k( 166) = ( 0.3384147 -0.1953837 -0.5526287), wk = 0.0040000 k( 167) = ( 0.3475610 -0.2006643 -0.5675646), wk = 0.0040000 k( 168) = ( 0.3567073 -0.2059449 -0.5825005), wk = 0.0040000 k( 169) = ( 0.3658537 -0.2112256 -0.5974364), wk = 0.0040000 k( 170) = ( 0.3750000 -0.2165062 -0.6123723), wk = 0.0040000 k( 171) = ( 0.6250000 0.0721690 -0.4082481), wk = 0.0040000 k( 172) = ( 0.6160714 0.0876337 -0.4082481), wk = 0.0040000 k( 173) = ( 0.6071428 0.1030985 -0.4082481), wk = 0.0040000 k( 174) = ( 0.5982143 0.1185632 -0.4082481), wk = 0.0040000 k( 175) = ( 0.5892857 0.1340279 -0.4082481), wk = 0.0040000 k( 176) = ( 0.5803571 0.1494927 -0.4082481), wk = 0.0040000 k( 177) = ( 0.5714286 0.1649574 -0.4082481), wk = 0.0040000 k( 178) = ( 0.5625000 0.1804221 -0.4082481), wk = 0.0040000 k( 179) = ( 0.5535714 0.1958868 -0.4082481), wk = 0.0040000 k( 180) = ( 0.5446429 0.2113516 -0.4082481), wk = 0.0040000 k( 181) = ( 0.5357143 0.2268163 -0.4082481), wk = 0.0040000 k( 182) = ( 0.5267857 0.2422810 -0.4082481), wk = 0.0040000 k( 183) = ( 0.5178571 0.2577458 -0.4082481), wk = 0.0040000 k( 184) = ( 0.5089286 0.2732105 -0.4082481), wk = 0.0040000 k( 185) = ( 0.5000000 0.2886752 -0.4082481), wk = 0.0040000 k( 186) = ( 0.5000000 0.2886752 -0.4082481), wk = 0.0040000 k( 187) = ( 0.5089286 0.2938301 -0.3936678), wk = 0.0040000 k( 188) = ( 0.5178571 0.2989851 -0.3790875), wk = 0.0040000 k( 189) = ( 0.5267857 0.3041400 -0.3645072), wk = 0.0040000 k( 190) = ( 0.5357143 0.3092949 -0.3499269), wk = 0.0040000 k( 191) = ( 0.5446429 0.3144498 -0.3353466), wk = 0.0040000 k( 192) = ( 0.5535714 0.3196047 -0.3207663), wk = 0.0040000 k( 193) = ( 0.5625000 0.3247596 -0.3061859), wk = 0.0040000 k( 194) = ( 0.5714286 0.3299145 -0.2916056), wk = 0.0040000 k( 195) = ( 0.5803571 0.3350695 -0.2770253), wk = 0.0040000 k( 196) = ( 0.5892857 0.3402244 -0.2624450), wk = 0.0040000 k( 197) = ( 0.5982143 0.3453793 -0.2478647), wk = 0.0040000 k( 198) = ( 0.6071428 0.3505342 -0.2332844), wk = 0.0040000 k( 199) = ( 0.6160714 0.3556891 -0.2187041), wk = 0.0040000 k( 200) = ( 0.6250000 0.3608440 -0.2041238), wk = 0.0040000 k( 201) = ( 0.6250000 0.3608440 -0.2041238), wk = 0.0040000 k( 202) = ( 0.6197916 0.3578370 -0.1871135), wk = 0.0040000 k( 203) = ( 0.6145833 0.3548300 -0.1701032), wk = 0.0040000 k( 204) = ( 0.6093750 0.3518229 -0.1530928), wk = 0.0040000 k( 205) = ( 0.6041666 0.3488159 -0.1360825), wk = 0.0040000 k( 206) = ( 0.5989583 0.3458089 -0.1190722), wk = 0.0040000 k( 207) = ( 0.5937500 0.3428018 -0.1020618), wk = 0.0040000 k( 208) = ( 0.5885416 0.3397948 -0.0850515), wk = 0.0040000 k( 209) = ( 0.5833333 0.3367878 -0.0680411), wk = 0.0040000 k( 210) = ( 0.5781250 0.3337807 -0.0510308), wk = 0.0040000 k( 211) = ( 0.5729167 0.3307737 -0.0340205), wk = 0.0040000 k( 212) = ( 0.5677083 0.3277667 -0.0170101), wk = 0.0040000 k( 213) = ( 0.5625000 0.3247596 0.0000002), wk = 0.0040000 k( 214) = ( 0.5572917 0.3217526 0.0170105), wk = 0.0040000 k( 215) = ( 0.5520833 0.3187456 0.0340209), wk = 0.0040000 k( 216) = ( 0.5468750 0.3157385 0.0510312), wk = 0.0040000 k( 217) = ( 0.5416667 0.3127315 0.0680415), wk = 0.0040000 k( 218) = ( 0.5364583 0.3097245 0.0850519), wk = 0.0040000 k( 219) = ( 0.5312500 0.3067174 0.1020622), wk = 0.0040000 k( 220) = ( 0.5260417 0.3037104 0.1190726), wk = 0.0040000 k( 221) = ( 0.5208333 0.3007034 0.1360829), wk = 0.0040000 k( 222) = ( 0.5156250 0.2976963 0.1530932), wk = 0.0040000 k( 223) = ( 0.5104167 0.2946893 0.1701036), wk = 0.0040000 k( 224) = ( 0.5052083 0.2916823 0.1871139), wk = 0.0040000 k( 225) = ( 0.5000000 0.2886752 0.2041242), wk = 0.0040000 k( 226) = ( 0.5000000 -0.2886749 -0.2041240), wk = 0.0040000 k( 227) = ( 0.5104167 -0.2766468 -0.1956189), wk = 0.0040000 k( 228) = ( 0.5208333 -0.2646187 -0.1871137), wk = 0.0040000 k( 229) = ( 0.5312500 -0.2525905 -0.1786085), wk = 0.0040000 k( 230) = ( 0.5416667 -0.2405624 -0.1701033), wk = 0.0040000 k( 231) = ( 0.5520833 -0.2285343 -0.1615981), wk = 0.0040000 k( 232) = ( 0.5625000 -0.2165061 -0.1530930), wk = 0.0040000 k( 233) = ( 0.5729167 -0.2044780 -0.1445878), wk = 0.0040000 k( 234) = ( 0.5833333 -0.1924499 -0.1360826), wk = 0.0040000 k( 235) = ( 0.5937500 -0.1804217 -0.1275774), wk = 0.0040000 k( 236) = ( 0.6041666 -0.1683936 -0.1190723), wk = 0.0040000 k( 237) = ( 0.6145833 -0.1563655 -0.1105671), wk = 0.0040000 k( 238) = ( 0.6250000 -0.1443373 -0.1020619), wk = 0.0040000 k( 239) = ( 0.6354166 -0.1323092 -0.0935567), wk = 0.0040000 k( 240) = ( 0.6458333 -0.1202811 -0.0850516), wk = 0.0040000 k( 241) = ( 0.6562500 -0.1082529 -0.0765464), wk = 0.0040000 k( 242) = ( 0.6666666 -0.0962248 -0.0680412), wk = 0.0040000 k( 243) = ( 0.6770833 -0.0841967 -0.0595360), wk = 0.0040000 k( 244) = ( 0.6874999 -0.0721685 -0.0510309), wk = 0.0040000 k( 245) = ( 0.6979166 -0.0601404 -0.0425257), wk = 0.0040000 k( 246) = ( 0.7083333 -0.0481122 -0.0340205), wk = 0.0040000 k( 247) = ( 0.7187499 -0.0360841 -0.0255153), wk = 0.0040000 k( 248) = ( 0.7291666 -0.0240560 -0.0170101), wk = 0.0040000 k( 249) = ( 0.7395833 -0.0120278 -0.0085050), wk = 0.0040000 k( 250) = ( 0.7499999 0.0000003 0.0000002), wk = 0.0040000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 2) = ( 0.0147059 -0.0000000 -0.0000000), wk = 0.0040000 k( 3) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0040000 k( 4) = ( 0.0441177 0.0000000 0.0000000), wk = 0.0040000 k( 5) = ( 0.0588235 0.0000000 0.0000000), wk = 0.0040000 k( 6) = ( 0.0735294 0.0000000 0.0000000), wk = 0.0040000 k( 7) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0040000 k( 8) = ( 0.1029412 -0.0000000 0.0000000), wk = 0.0040000 k( 9) = ( 0.1176471 0.0000000 0.0000000), wk = 0.0040000 k( 10) = ( 0.1323529 0.0000000 0.0000000), wk = 0.0040000 k( 11) = ( 0.1470588 0.0000000 0.0000000), wk = 0.0040000 k( 12) = ( 0.1617647 0.0000000 0.0000000), wk = 0.0040000 k( 13) = ( 0.1764706 -0.0000000 0.0000000), wk = 0.0040000 k( 14) = ( 0.1911765 0.0000000 0.0000000), wk = 0.0040000 k( 15) = ( 0.2058823 0.0000000 0.0000000), wk = 0.0040000 k( 16) = ( 0.2205882 0.0000000 0.0000000), wk = 0.0040000 k( 17) = ( 0.2352941 0.0000000 0.0000000), wk = 0.0040000 k( 18) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0040000 k( 19) = ( 0.2647059 0.0000000 0.0000000), wk = 0.0040000 k( 20) = ( 0.2794118 -0.0000000 0.0000000), wk = 0.0040000 k( 21) = ( 0.2941177 0.0000000 0.0000000), wk = 0.0040000 k( 22) = ( 0.3088235 0.0000000 0.0000000), wk = 0.0040000 k( 23) = ( 0.3235294 -0.0000000 0.0000000), wk = 0.0040000 k( 24) = ( 0.3382353 0.0000000 -0.0000000), wk = 0.0040000 k( 25) = ( 0.3529412 -0.0000000 0.0000000), wk = 0.0040000 k( 26) = ( 0.3676471 -0.0000000 0.0000000), wk = 0.0040000 k( 27) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0040000 k( 28) = ( 0.3970588 0.0000000 0.0000000), wk = 0.0040000 k( 29) = ( 0.4117647 0.0000000 0.0000000), wk = 0.0040000 k( 30) = ( 0.4264706 0.0000000 0.0000000), wk = 0.0040000 k( 31) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0040000 k( 32) = ( 0.4558823 -0.0000000 0.0000000), wk = 0.0040000 k( 33) = ( 0.4705882 0.0000000 0.0000000), wk = 0.0040000 k( 34) = ( 0.4852941 0.0000000 0.0000000), wk = 0.0040000 k( 35) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0040000 k( 36) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0040000 k( 37) = ( 0.5000000 0.0089286 -0.0089286), wk = 0.0040000 k( 38) = ( 0.5000000 0.0178571 -0.0178571), wk = 0.0040000 k( 39) = ( 0.5000000 0.0267857 -0.0267857), wk = 0.0040000 k( 40) = ( 0.5000000 0.0357143 -0.0357143), wk = 0.0040000 k( 41) = ( 0.5000000 0.0446429 -0.0446429), wk = 0.0040000 k( 42) = ( 0.5000000 0.0535714 -0.0535714), wk = 0.0040000 k( 43) = ( 0.5000000 0.0625000 -0.0625000), wk = 0.0040000 k( 44) = ( 0.5000000 0.0714286 -0.0714286), wk = 0.0040000 k( 45) = ( 0.5000000 0.0803572 -0.0803572), wk = 0.0040000 k( 46) = ( 0.5000000 0.0892857 -0.0892857), wk = 0.0040000 k( 47) = ( 0.5000000 0.0982143 -0.0982143), wk = 0.0040000 k( 48) = ( 0.5000000 0.1071429 -0.1071429), wk = 0.0040000 k( 49) = ( 0.5000000 0.1160715 -0.1160715), wk = 0.0040000 k( 50) = ( 0.5000000 0.1250000 -0.1250000), wk = 0.0040000 k( 51) = ( 0.5000000 0.1339286 -0.1339286), wk = 0.0040000 k( 52) = ( 0.5000000 0.1428572 -0.1428572), wk = 0.0040000 k( 53) = ( 0.5000000 0.1517857 -0.1517857), wk = 0.0040000 k( 54) = ( 0.5000000 0.1607143 -0.1607143), wk = 0.0040000 k( 55) = ( 0.5000000 0.1696429 -0.1696429), wk = 0.0040000 k( 56) = ( 0.5000000 0.1785715 -0.1785715), wk = 0.0040000 k( 57) = ( 0.5000000 0.1875001 -0.1875001), wk = 0.0040000 k( 58) = ( 0.5000000 0.1964286 -0.1964286), wk = 0.0040000 k( 59) = ( 0.5000000 0.2053572 -0.2053572), wk = 0.0040000 k( 60) = ( 0.5000000 0.2142858 -0.2142858), wk = 0.0040000 k( 61) = ( 0.5000000 0.2232143 -0.2232143), wk = 0.0040000 k( 62) = ( 0.5000000 0.2321429 -0.2321429), wk = 0.0040000 k( 63) = ( 0.5000000 0.2410715 -0.2410715), wk = 0.0040000 k( 64) = ( 0.5000000 0.2500001 -0.2500001), wk = 0.0040000 k( 65) = ( 0.7499999 0.5000000 0.2500001), wk = 0.0040000 k( 66) = ( 0.7410714 0.5000000 0.2589286), wk = 0.0040000 k( 67) = ( 0.7321428 0.5000000 0.2678572), wk = 0.0040000 k( 68) = ( 0.7232142 0.5000000 0.2767858), wk = 0.0040000 k( 69) = ( 0.7142857 0.5000000 0.2857143), wk = 0.0040000 k( 70) = ( 0.7053571 0.5000000 0.2946429), wk = 0.0040000 k( 71) = ( 0.6964285 0.5000000 0.3035715), wk = 0.0040000 k( 72) = ( 0.6874999 0.5000000 0.3125001), wk = 0.0040000 k( 73) = ( 0.6785714 0.5000000 0.3214286), wk = 0.0040000 k( 74) = ( 0.6696428 0.5000000 0.3303572), wk = 0.0040000 k( 75) = ( 0.6607142 0.5000000 0.3392858), wk = 0.0040000 k( 76) = ( 0.6517857 0.5000000 0.3482143), wk = 0.0040000 k( 77) = ( 0.6428571 0.5000000 0.3571429), wk = 0.0040000 k( 78) = ( 0.6339285 0.5000000 0.3660715), wk = 0.0040000 k( 79) = ( 0.6250000 0.5000000 0.3750000), wk = 0.0040000 k( 80) = ( 0.6160714 0.5000000 0.3839286), wk = 0.0040000 k( 81) = ( 0.6071428 0.5000000 0.3928572), wk = 0.0040000 k( 82) = ( 0.5982143 0.5000000 0.4017857), wk = 0.0040000 k( 83) = ( 0.5892857 0.5000000 0.4107143), wk = 0.0040000 k( 84) = ( 0.5803571 0.5000000 0.4196429), wk = 0.0040000 k( 85) = ( 0.5714286 0.5000000 0.4285715), wk = 0.0040000 k( 86) = ( 0.5625000 0.5000000 0.4375000), wk = 0.0040000 k( 87) = ( 0.5535714 0.5000000 0.4464286), wk = 0.0040000 k( 88) = ( 0.5446429 0.5000000 0.4553571), wk = 0.0040000 k( 89) = ( 0.5357143 0.5000000 0.4642857), wk = 0.0040000 k( 90) = ( 0.5267857 0.5000000 0.4732143), wk = 0.0040000 k( 91) = ( 0.5178571 0.5000000 0.4821429), wk = 0.0040000 k( 92) = ( 0.5089286 0.5000000 0.4910714), wk = 0.0040000 k( 93) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040000 k( 94) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040000 k( 95) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0040000 k( 96) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0040000 k( 97) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0040000 k( 98) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0040000 k( 99) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0040000 k( 100) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0040000 k( 101) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0040000 k( 102) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0040000 k( 103) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0040000 k( 104) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0040000 k( 105) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0040000 k( 106) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0040000 k( 107) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0040000 k( 108) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0040000 k( 109) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0040000 k( 110) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0040000 k( 111) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040000 k( 112) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0040000 k( 113) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0040000 k( 114) = ( 0.2058823 0.2058823 0.2058824), wk = 0.0040000 k( 115) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0040000 k( 116) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0040000 k( 117) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0040000 k( 118) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0040000 k( 119) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0040000 k( 120) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0040000 k( 121) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0040000 k( 122) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0040000 k( 123) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0040000 k( 124) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0040000 k( 125) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0040000 k( 126) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0040000 k( 127) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0040000 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 130) = ( 0.0091463 -0.0000000 -0.0091463), wk = 0.0040000 k( 131) = ( 0.0182927 -0.0000000 -0.0182927), wk = 0.0040000 k( 132) = ( 0.0274390 -0.0000000 -0.0274390), wk = 0.0040000 k( 133) = ( 0.0365854 -0.0000000 -0.0365854), wk = 0.0040000 k( 134) = ( 0.0457317 0.0000000 -0.0457317), wk = 0.0040000 k( 135) = ( 0.0548780 0.0000000 -0.0548780), wk = 0.0040000 k( 136) = ( 0.0640244 0.0000000 -0.0640244), wk = 0.0040000 k( 137) = ( 0.0731707 -0.0000000 -0.0731707), wk = 0.0040000 k( 138) = ( 0.0823171 -0.0000000 -0.0823171), wk = 0.0040000 k( 139) = ( 0.0914634 0.0000000 -0.0914634), wk = 0.0040000 k( 140) = ( 0.1006098 0.0000000 -0.1006098), wk = 0.0040000 k( 141) = ( 0.1097561 0.0000000 -0.1097561), wk = 0.0040000 k( 142) = ( 0.1189025 0.0000000 -0.1189024), wk = 0.0040000 k( 143) = ( 0.1280488 0.0000000 -0.1280488), wk = 0.0040000 k( 144) = ( 0.1371951 0.0000000 -0.1371951), wk = 0.0040000 k( 145) = ( 0.1463415 -0.0000000 -0.1463415), wk = 0.0040000 k( 146) = ( 0.1554878 -0.0000000 -0.1554878), wk = 0.0040000 k( 147) = ( 0.1646342 -0.0000000 -0.1646342), wk = 0.0040000 k( 148) = ( 0.1737805 0.0000000 -0.1737805), wk = 0.0040000 k( 149) = ( 0.1829268 0.0000000 -0.1829268), wk = 0.0040000 k( 150) = ( 0.1920732 0.0000000 -0.1920732), wk = 0.0040000 k( 151) = ( 0.2012195 -0.0000000 -0.2012195), wk = 0.0040000 k( 152) = ( 0.2103659 -0.0000000 -0.2103659), wk = 0.0040000 k( 153) = ( 0.2195122 -0.0000000 -0.2195122), wk = 0.0040000 k( 154) = ( 0.2286586 0.0000000 -0.2286586), wk = 0.0040000 k( 155) = ( 0.2378049 0.0000000 -0.2378049), wk = 0.0040000 k( 156) = ( 0.2469512 -0.0000000 -0.2469512), wk = 0.0040000 k( 157) = ( 0.2560976 0.0000000 -0.2560976), wk = 0.0040000 k( 158) = ( 0.2652439 0.0000000 -0.2652439), wk = 0.0040000 k( 159) = ( 0.2743903 0.0000000 -0.2743903), wk = 0.0040000 k( 160) = ( 0.2835366 -0.0000000 -0.2835366), wk = 0.0040000 k( 161) = ( 0.2926829 0.0000000 -0.2926829), wk = 0.0040000 k( 162) = ( 0.3018293 0.0000000 -0.3018293), wk = 0.0040000 k( 163) = ( 0.3109756 -0.0000000 -0.3109756), wk = 0.0040000 k( 164) = ( 0.3201220 -0.0000000 -0.3201220), wk = 0.0040000 k( 165) = ( 0.3292683 -0.0000000 -0.3292683), wk = 0.0040000 k( 166) = ( 0.3384147 0.0000000 -0.3384147), wk = 0.0040000 k( 167) = ( 0.3475610 0.0000000 -0.3475610), wk = 0.0040000 k( 168) = ( 0.3567073 0.0000000 -0.3567073), wk = 0.0040000 k( 169) = ( 0.3658537 0.0000000 -0.3658537), wk = 0.0040000 k( 170) = ( 0.3750000 0.0000000 -0.3750000), wk = 0.0040000 k( 171) = ( 0.6250000 0.3750000 0.0000000), wk = 0.0040000 k( 172) = ( 0.6160714 0.3839286 0.0000000), wk = 0.0040000 k( 173) = ( 0.6071428 0.3928572 0.0000000), wk = 0.0040000 k( 174) = ( 0.5982143 0.4017857 0.0000000), wk = 0.0040000 k( 175) = ( 0.5892857 0.4107143 -0.0000000), wk = 0.0040000 k( 176) = ( 0.5803571 0.4196429 0.0000000), wk = 0.0040000 k( 177) = ( 0.5714286 0.4285715 0.0000000), wk = 0.0040000 k( 178) = ( 0.5625000 0.4375000 0.0000000), wk = 0.0040000 k( 179) = ( 0.5535714 0.4464286 0.0000000), wk = 0.0040000 k( 180) = ( 0.5446429 0.4553571 -0.0000000), wk = 0.0040000 k( 181) = ( 0.5357143 0.4642857 -0.0000000), wk = 0.0040000 k( 182) = ( 0.5267857 0.4732143 0.0000000), wk = 0.0040000 k( 183) = ( 0.5178571 0.4821429 0.0000000), wk = 0.0040000 k( 184) = ( 0.5089286 0.4910714 0.0000000), wk = 0.0040000 k( 185) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0040000 k( 186) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0040000 k( 187) = ( 0.5089286 0.5089286 0.0178572), wk = 0.0040000 k( 188) = ( 0.5178571 0.5178571 0.0357143), wk = 0.0040000 k( 189) = ( 0.5267857 0.5267857 0.0535714), wk = 0.0040000 k( 190) = ( 0.5357143 0.5357143 0.0714286), wk = 0.0040000 k( 191) = ( 0.5446429 0.5446429 0.0892857), wk = 0.0040000 k( 192) = ( 0.5535714 0.5535714 0.1071429), wk = 0.0040000 k( 193) = ( 0.5625000 0.5625000 0.1250000), wk = 0.0040000 k( 194) = ( 0.5714286 0.5714286 0.1428572), wk = 0.0040000 k( 195) = ( 0.5803571 0.5803571 0.1607143), wk = 0.0040000 k( 196) = ( 0.5892857 0.5892857 0.1785715), wk = 0.0040000 k( 197) = ( 0.5982143 0.5982143 0.1964286), wk = 0.0040000 k( 198) = ( 0.6071428 0.6071428 0.2142858), wk = 0.0040000 k( 199) = ( 0.6160714 0.6160714 0.2321429), wk = 0.0040000 k( 200) = ( 0.6250000 0.6250000 0.2500001), wk = 0.0040000 k( 201) = ( 0.6250000 0.6250000 0.2500001), wk = 0.0040000 k( 202) = ( 0.6197916 0.6197916 0.2604167), wk = 0.0040000 k( 203) = ( 0.6145833 0.6145833 0.2708334), wk = 0.0040000 k( 204) = ( 0.6093750 0.6093750 0.2812501), wk = 0.0040000 k( 205) = ( 0.6041666 0.6041666 0.2916667), wk = 0.0040000 k( 206) = ( 0.5989583 0.5989583 0.3020834), wk = 0.0040000 k( 207) = ( 0.5937500 0.5937500 0.3125000), wk = 0.0040000 k( 208) = ( 0.5885416 0.5885416 0.3229167), wk = 0.0040000 k( 209) = ( 0.5833333 0.5833333 0.3333334), wk = 0.0040000 k( 210) = ( 0.5781250 0.5781250 0.3437500), wk = 0.0040000 k( 211) = ( 0.5729167 0.5729167 0.3541667), wk = 0.0040000 k( 212) = ( 0.5677083 0.5677083 0.3645834), wk = 0.0040000 k( 213) = ( 0.5625000 0.5625000 0.3750000), wk = 0.0040000 k( 214) = ( 0.5572917 0.5572917 0.3854167), wk = 0.0040000 k( 215) = ( 0.5520833 0.5520833 0.3958334), wk = 0.0040000 k( 216) = ( 0.5468750 0.5468750 0.4062500), wk = 0.0040000 k( 217) = ( 0.5416667 0.5416667 0.4166667), wk = 0.0040000 k( 218) = ( 0.5364583 0.5364583 0.4270834), wk = 0.0040000 k( 219) = ( 0.5312500 0.5312500 0.4375000), wk = 0.0040000 k( 220) = ( 0.5260417 0.5260417 0.4479167), wk = 0.0040000 k( 221) = ( 0.5208333 0.5208333 0.4583333), wk = 0.0040000 k( 222) = ( 0.5156250 0.5156250 0.4687500), wk = 0.0040000 k( 223) = ( 0.5104167 0.5104167 0.4791667), wk = 0.0040000 k( 224) = ( 0.5052083 0.5052083 0.4895833), wk = 0.0040000 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040000 k( 226) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0040000 k( 227) = ( 0.5104167 0.0156250 0.0156250), wk = 0.0040000 k( 228) = ( 0.5208333 0.0312500 0.0312500), wk = 0.0040000 k( 229) = ( 0.5312500 0.0468750 0.0468750), wk = 0.0040000 k( 230) = ( 0.5416667 0.0625000 0.0625000), wk = 0.0040000 k( 231) = ( 0.5520833 0.0781250 0.0781250), wk = 0.0040000 k( 232) = ( 0.5625000 0.0937500 0.0937500), wk = 0.0040000 k( 233) = ( 0.5729167 0.1093750 0.1093750), wk = 0.0040000 k( 234) = ( 0.5833333 0.1250000 0.1250000), wk = 0.0040000 k( 235) = ( 0.5937500 0.1406250 0.1406250), wk = 0.0040000 k( 236) = ( 0.6041666 0.1562500 0.1562500), wk = 0.0040000 k( 237) = ( 0.6145833 0.1718750 0.1718750), wk = 0.0040000 k( 238) = ( 0.6250000 0.1875000 0.1875000), wk = 0.0040000 k( 239) = ( 0.6354166 0.2031250 0.2031250), wk = 0.0040000 k( 240) = ( 0.6458333 0.2187500 0.2187500), wk = 0.0040000 k( 241) = ( 0.6562500 0.2343750 0.2343750), wk = 0.0040000 k( 242) = ( 0.6666666 0.2500000 0.2500000), wk = 0.0040000 k( 243) = ( 0.6770833 0.2656250 0.2656250), wk = 0.0040000 k( 244) = ( 0.6874999 0.2812500 0.2812500), wk = 0.0040000 k( 245) = ( 0.6979166 0.2968750 0.2968750), wk = 0.0040000 k( 246) = ( 0.7083333 0.3125000 0.3125000), wk = 0.0040000 k( 247) = ( 0.7187499 0.3281250 0.3281250), wk = 0.0040000 k( 248) = ( 0.7291666 0.3437500 0.3437500), wk = 0.0040000 k( 249) = ( 0.7395833 0.3593750 0.3593750), wk = 0.0040000 k( 250) = ( 0.7499999 0.3750000 0.3750000), wk = 0.0040000 Dense grid: 88515 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.74 Mb ( 638, 76) NL pseudopotentials 0.74 Mb ( 319, 152) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2460) G-vector shells 0.01 Mb ( 1896) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.96 Mb ( 638, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.35 Mb ( 152, 2, 76) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./CaTiF6.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs + 12 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.8 secs Computing kpt #: 4 total cpu time spent up to now is 7.1 secs Computing kpt #: 5 total cpu time spent up to now is 8.4 secs Computing kpt #: 6 total cpu time spent up to now is 9.8 secs Computing kpt #: 7 total cpu time spent up to now is 11.1 secs Computing kpt #: 8 total cpu time spent up to now is 12.4 secs Computing kpt #: 9 total cpu time spent up to now is 13.7 secs Computing kpt #: 10 total cpu time spent up to now is 15.0 secs Computing kpt #: 11 total cpu time spent up to now is 16.3 secs Computing kpt #: 12 total cpu time spent up to now is 17.5 secs Computing kpt #: 13 total cpu time spent up to now is 18.8 secs Computing kpt #: 14 total cpu time spent up to now is 20.1 secs Computing kpt #: 15 total cpu time spent up to now is 21.4 secs Computing kpt #: 16 total cpu time spent up to now is 22.6 secs Computing kpt #: 17 total cpu time spent up to now is 23.9 secs Computing kpt #: 18 total cpu time spent up to now is 25.2 secs Computing kpt #: 19 total cpu time spent up to now is 26.4 secs Computing kpt #: 20 total cpu time spent up to now is 27.7 secs Computing kpt #: 21 total cpu time spent up to now is 28.9 secs Computing kpt #: 22 total cpu time spent up to now is 30.2 secs Computing kpt #: 23 total cpu time spent up to now is 31.5 secs Computing kpt #: 24 total cpu time spent up to now is 32.8 secs Computing kpt #: 25 total cpu time spent up to now is 34.0 secs Computing kpt #: 26 total cpu time spent up to now is 35.3 secs Computing kpt #: 27 total cpu time spent up to now is 36.6 secs Computing kpt #: 28 total cpu time spent up to now is 37.8 secs Computing kpt #: 29 total cpu time spent up to now is 39.3 secs Computing kpt #: 30 total cpu time spent up to now is 40.6 secs Computing kpt #: 31 total cpu time spent up to now is 41.9 secs Computing kpt #: 32 total cpu time spent up to now is 43.2 secs Computing kpt #: 33 total cpu time spent up to now is 44.5 secs Computing kpt #: 34 total cpu time spent up to now is 46.1 secs Computing kpt #: 35 total cpu time spent up to now is 47.5 secs Computing kpt #: 36 total cpu time spent up to now is 49.9 secs Computing kpt #: 37 total cpu time spent up to now is 51.8 secs Computing kpt #: 38 total cpu time spent up to now is 53.2 secs Computing kpt #: 39 total cpu time spent up to now is 54.5 secs Computing kpt #: 40 total cpu time spent up to now is 56.5 secs Computing kpt #: 41 total cpu time spent up to now is 58.6 secs Computing kpt #: 42 total cpu time spent up to now is 60.5 secs Computing kpt #: 43 total cpu time spent up to now is 61.9 secs Computing kpt #: 44 total cpu time spent up to now is 63.2 secs Computing kpt #: 45 total cpu time spent up to now is 64.5 secs Computing kpt #: 46 total cpu time spent up to now is 67.0 secs Computing kpt #: 47 total cpu time spent up to now is 69.5 secs Computing kpt #: 48 total cpu time spent up to now is 71.5 secs Computing kpt #: 49 total cpu time spent up to now is 73.6 secs Computing kpt #: 50 total cpu time spent up to now is 75.7 secs Computing kpt #: 51 total cpu time spent up to now is 77.7 secs Computing kpt #: 52 total cpu time spent up to now is 79.0 secs Computing kpt #: 53 total cpu time spent up to now is 80.4 secs Computing kpt #: 54 total cpu time spent up to now is 82.1 secs Computing kpt #: 55 total cpu time spent up to now is 83.9 secs Computing kpt #: 56 total cpu time spent up to now is 85.9 secs Computing kpt #: 57 total cpu time spent up to now is 87.9 secs Computing kpt #: 58 total cpu time spent up to now is 89.5 secs Computing kpt #: 59 total cpu time spent up to now is 91.5 secs Computing kpt #: 60 total cpu time spent up to now is 93.2 secs Computing kpt #: 61 total cpu time spent up to now is 96.3 secs Computing kpt #: 62 total cpu time spent up to now is 98.4 secs Computing kpt #: 63 total cpu time spent up to now is 99.7 secs Computing kpt #: 64 total cpu time spent up to now is 101.1 secs Computing kpt #: 65 total cpu time spent up to now is 102.4 secs Computing kpt #: 66 total cpu time spent up to now is 103.8 secs Computing kpt #: 67 total cpu time spent up to now is 105.2 secs Computing kpt #: 68 total cpu time spent up to now is 106.5 secs Computing kpt #: 69 total cpu time spent up to now is 107.8 secs Computing kpt #: 70 total cpu time spent up to now is 109.1 secs Computing kpt #: 71 total cpu time spent up to now is 110.4 secs Computing kpt #: 72 total cpu time spent up to now is 111.7 secs Computing kpt #: 73 total cpu time spent up to now is 113.0 secs Computing kpt #: 74 total cpu time spent up to now is 114.3 secs Computing kpt #: 75 total cpu time spent up to now is 115.5 secs Computing kpt #: 76 total cpu time spent up to now is 116.8 secs Computing kpt #: 77 total cpu time spent up to now is 118.1 secs Computing kpt #: 78 total cpu time spent up to now is 119.4 secs Computing kpt #: 79 total cpu time spent up to now is 120.7 secs Computing kpt #: 80 total cpu time spent up to now is 122.0 secs Computing kpt #: 81 total cpu time spent up to now is 123.5 secs Computing kpt #: 82 total cpu time spent up to now is 124.7 secs Computing kpt #: 83 total cpu time spent up to now is 126.0 secs Computing kpt #: 84 total cpu time spent up to now is 127.3 secs Computing kpt #: 85 total cpu time spent up to now is 128.6 secs Computing kpt #: 86 total cpu time spent up to now is 129.9 secs Computing kpt #: 87 total cpu time spent up to now is 131.4 secs Computing kpt #: 88 total cpu time spent up to now is 132.9 secs Computing kpt #: 89 total cpu time spent up to now is 134.4 secs Computing kpt #: 90 total cpu time spent up to now is 135.9 secs Computing kpt #: 91 total cpu time spent up to now is 137.4 secs Computing kpt #: 92 total cpu time spent up to now is 138.7 secs Computing kpt #: 93 total cpu time spent up to now is 140.0 secs Computing kpt #: 94 total cpu time spent up to now is 141.5 secs Computing kpt #: 95 total cpu time spent up to now is 142.8 secs Computing kpt #: 96 total cpu time spent up to now is 144.1 secs Computing kpt #: 97 total cpu time spent up to now is 145.4 secs Computing kpt #: 98 total cpu time spent up to now is 146.7 secs Computing kpt #: 99 total cpu time spent up to now is 148.0 secs Computing kpt #: 100 total cpu time spent up to now is 149.5 secs Computing kpt #: 101 total cpu time spent up to now is 150.8 secs Computing kpt #: 102 total cpu time spent up to now is 152.1 secs Computing kpt #: 103 total cpu time spent up to now is 153.4 secs Computing kpt #: 104 total cpu time spent up to now is 154.6 secs Computing kpt #: 105 total cpu time spent up to now is 155.9 secs Computing kpt #: 106 total cpu time spent up to now is 157.2 secs Computing kpt #: 107 total cpu time spent up to now is 158.5 secs Computing kpt #: 108 total cpu time spent up to now is 159.7 secs Computing kpt #: 109 total cpu time spent up to now is 161.0 secs Computing kpt #: 110 total cpu time spent up to now is 162.3 secs Computing kpt #: 111 total cpu time spent up to now is 163.6 secs Computing kpt #: 112 total cpu time spent up to now is 164.9 secs Computing kpt #: 113 total cpu time spent up to now is 166.1 secs Computing kpt #: 114 total cpu time spent up to now is 167.4 secs Computing kpt #: 115 total cpu time spent up to now is 168.7 secs Computing kpt #: 116 total cpu time spent up to now is 169.9 secs Computing kpt #: 117 total cpu time spent up to now is 171.2 secs Computing kpt #: 118 total cpu time spent up to now is 172.4 secs Computing kpt #: 119 total cpu time spent up to now is 173.7 secs Computing kpt #: 120 total cpu time spent up to now is 175.0 secs Computing kpt #: 121 total cpu time spent up to now is 176.3 secs Computing kpt #: 122 total cpu time spent up to now is 177.6 secs Computing kpt #: 123 total cpu time spent up to now is 178.9 secs Computing kpt #: 124 total cpu time spent up to now is 180.2 secs Computing kpt #: 125 total cpu time spent up to now is 181.5 secs Computing kpt #: 126 total cpu time spent up to now is 182.8 secs Computing kpt #: 127 total cpu time spent up to now is 184.1 secs Computing kpt #: 128 total cpu time spent up to now is 185.4 secs Computing kpt #: 129 total cpu time spent up to now is 186.7 secs Computing kpt #: 130 total cpu time spent up to now is 188.0 secs Computing kpt #: 131 total cpu time spent up to now is 189.3 secs Computing kpt #: 132 total cpu time spent up to now is 190.6 secs Computing kpt #: 133 total cpu time spent up to now is 191.9 secs Computing kpt #: 134 total cpu time spent up to now is 193.3 secs Computing kpt #: 135 total cpu time spent up to now is 194.6 secs Computing kpt #: 136 total cpu time spent up to now is 195.9 secs Computing kpt #: 137 total cpu time spent up to now is 197.1 secs Computing kpt #: 138 total cpu time spent up to now is 198.4 secs Computing kpt #: 139 total cpu time spent up to now is 199.7 secs Computing kpt #: 140 total cpu time spent up to now is 201.0 secs Computing kpt #: 141 total cpu time spent up to now is 202.2 secs Computing kpt #: 142 total cpu time spent up to now is 203.5 secs Computing kpt #: 143 total cpu time spent up to now is 204.8 secs Computing kpt #: 144 total cpu time spent up to now is 206.0 secs Computing kpt #: 145 total cpu time spent up to now is 207.3 secs Computing kpt #: 146 total cpu time spent up to now is 208.6 secs Computing kpt #: 147 total cpu time spent up to now is 209.9 secs Computing kpt #: 148 total cpu time spent up to now is 211.2 secs Computing kpt #: 149 total cpu time spent up to now is 212.5 secs Computing kpt #: 150 total cpu time spent up to now is 213.8 secs Computing kpt #: 151 total cpu time spent up to now is 215.1 secs Computing kpt #: 152 total cpu time spent up to now is 216.4 secs Computing kpt #: 153 total cpu time spent up to now is 217.7 secs Computing kpt #: 154 total cpu time spent up to now is 218.9 secs Computing kpt #: 155 total cpu time spent up to now is 220.2 secs Computing kpt #: 156 total cpu time spent up to now is 221.5 secs Computing kpt #: 157 total cpu time spent up to now is 222.8 secs Computing kpt #: 158 total cpu time spent up to now is 224.1 secs Computing kpt #: 159 total cpu time spent up to now is 225.4 secs Computing kpt #: 160 total cpu time spent up to now is 226.7 secs Computing kpt #: 161 total cpu time spent up to now is 228.0 secs Computing kpt #: 162 total cpu time spent up to now is 229.3 secs Computing kpt #: 163 total cpu time spent up to now is 230.8 secs Computing kpt #: 164 total cpu time spent up to now is 232.3 secs Computing kpt #: 165 total cpu time spent up to now is 234.3 secs Computing kpt #: 166 total cpu time spent up to now is 236.2 secs Computing kpt #: 167 total cpu time spent up to now is 238.2 secs Computing kpt #: 168 total cpu time spent up to now is 240.4 secs Computing kpt #: 169 total cpu time spent up to now is 242.4 secs Computing kpt #: 170 total cpu time spent up to now is 244.9 secs Computing kpt #: 171 total cpu time spent up to now is 247.4 secs Computing kpt #: 172 total cpu time spent up to now is 249.2 secs Computing kpt #: 173 total cpu time spent up to now is 251.0 secs Computing kpt #: 174 total cpu time spent up to now is 253.2 secs Computing kpt #: 175 total cpu time spent up to now is 255.3 secs Computing kpt #: 176 total cpu time spent up to now is 257.3 secs Computing kpt #: 177 total cpu time spent up to now is 259.4 secs Computing kpt #: 178 total cpu time spent up to now is 261.4 secs Computing kpt #: 179 total cpu time spent up to now is 263.2 secs Computing kpt #: 180 total cpu time spent up to now is 265.2 secs Computing kpt #: 181 total cpu time spent up to now is 267.2 secs Computing kpt #: 182 total cpu time spent up to now is 269.3 secs Computing kpt #: 183 total cpu time spent up to now is 271.1 secs Computing kpt #: 184 total cpu time spent up to now is 272.9 secs Computing kpt #: 185 total cpu time spent up to now is 274.7 secs Computing kpt #: 186 total cpu time spent up to now is 276.4 secs Computing kpt #: 187 total cpu time spent up to now is 278.2 secs Computing kpt #: 188 total cpu time spent up to now is 280.0 secs Computing kpt #: 189 total cpu time spent up to now is 282.0 secs Computing kpt #: 190 total cpu time spent up to now is 284.0 secs Computing kpt #: 191 total cpu time spent up to now is 286.0 secs Computing kpt #: 192 total cpu time spent up to now is 288.0 secs Computing kpt #: 193 total cpu time spent up to now is 289.8 secs Computing kpt #: 194 total cpu time spent up to now is 292.0 secs Computing kpt #: 195 total cpu time spent up to now is 293.8 secs Computing kpt #: 196 total cpu time spent up to now is 295.8 secs Computing kpt #: 197 total cpu time spent up to now is 297.8 secs Computing kpt #: 198 total cpu time spent up to now is 299.6 secs Computing kpt #: 199 total cpu time spent up to now is 301.3 secs Computing kpt #: 200 total cpu time spent up to now is 303.0 secs Computing kpt #: 201 total cpu time spent up to now is 304.5 secs Computing kpt #: 202 total cpu time spent up to now is 306.3 secs Computing kpt #: 203 total cpu time spent up to now is 308.0 secs Computing kpt #: 204 total cpu time spent up to now is 309.7 secs Computing kpt #: 205 total cpu time spent up to now is 311.0 secs Computing kpt #: 206 total cpu time spent up to now is 312.2 secs Computing kpt #: 207 total cpu time spent up to now is 313.5 secs Computing kpt #: 208 total cpu time spent up to now is 315.0 secs Computing kpt #: 209 total cpu time spent up to now is 316.3 secs Computing kpt #: 210 total cpu time spent up to now is 317.6 secs Computing kpt #: 211 total cpu time spent up to now is 318.9 secs Computing kpt #: 212 total cpu time spent up to now is 320.4 secs Computing kpt #: 213 total cpu time spent up to now is 321.9 secs Computing kpt #: 214 total cpu time spent up to now is 323.2 secs Computing kpt #: 215 total cpu time spent up to now is 324.5 secs Computing kpt #: 216 total cpu time spent up to now is 325.8 secs Computing kpt #: 217 total cpu time spent up to now is 327.1 secs Computing kpt #: 218 total cpu time spent up to now is 328.6 secs Computing kpt #: 219 total cpu time spent up to now is 330.1 secs Computing kpt #: 220 total cpu time spent up to now is 331.4 secs Computing kpt #: 221 total cpu time spent up to now is 332.6 secs Computing kpt #: 222 total cpu time spent up to now is 334.1 secs Computing kpt #: 223 total cpu time spent up to now is 335.4 secs Computing kpt #: 224 total cpu time spent up to now is 336.9 secs Computing kpt #: 225 total cpu time spent up to now is 338.4 secs Computing kpt #: 226 total cpu time spent up to now is 340.5 secs Computing kpt #: 227 total cpu time spent up to now is 342.5 secs Computing kpt #: 228 total cpu time spent up to now is 344.0 secs Computing kpt #: 229 total cpu time spent up to now is 346.0 secs Computing kpt #: 230 total cpu time spent up to now is 347.7 secs Computing kpt #: 231 total cpu time spent up to now is 349.5 secs Computing kpt #: 232 total cpu time spent up to now is 351.0 secs Computing kpt #: 233 total cpu time spent up to now is 352.7 secs Computing kpt #: 234 total cpu time spent up to now is 354.0 secs Computing kpt #: 235 total cpu time spent up to now is 355.6 secs Computing kpt #: 236 total cpu time spent up to now is 356.9 secs Computing kpt #: 237 total cpu time spent up to now is 358.5 secs Computing kpt #: 238 total cpu time spent up to now is 360.0 secs Computing kpt #: 239 total cpu time spent up to now is 361.6 secs Computing kpt #: 240 total cpu time spent up to now is 362.9 secs Computing kpt #: 241 total cpu time spent up to now is 364.2 secs Computing kpt #: 242 total cpu time spent up to now is 365.7 secs Computing kpt #: 243 total cpu time spent up to now is 367.2 secs Computing kpt #: 244 total cpu time spent up to now is 369.0 secs Computing kpt #: 245 total cpu time spent up to now is 370.8 secs Computing kpt #: 246 total cpu time spent up to now is 372.4 secs Computing kpt #: 247 total cpu time spent up to now is 373.9 secs Computing kpt #: 248 total cpu time spent up to now is 375.5 secs Computing kpt #: 249 total cpu time spent up to now is 377.1 secs Computing kpt #: 250 total cpu time spent up to now is 378.9 secs ethr = 1.56E-08, avg # of iterations = 23.9 total cpu time spent up to now is 378.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11017 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.7937 -20.7937 -20.4714 -20.4714 -20.4271 -20.4271 -20.4102 -20.4102 -20.3642 -20.3642 -20.3642 -20.3642 -16.9836 -16.9836 -16.6772 -16.6772 -16.5242 -16.5242 -3.8439 -3.8439 -3.5658 -3.5658 -3.5588 -3.5588 -3.0152 -3.0152 -2.9944 -2.9944 -2.7151 -2.7151 -2.4571 -2.4571 -2.4503 -2.4503 -2.3180 -2.3180 -1.3947 -1.3947 -1.2563 -1.2563 -1.2391 -1.2391 -1.0580 -1.0580 -0.9231 -0.9231 -0.9147 -0.9147 -0.7005 -0.7005 -0.6817 -0.6817 -0.4765 -0.4765 3.4712 3.4712 3.7160 3.7160 3.7307 3.7307 5.9799 5.9799 5.9888 5.9888 6.9294 6.9294 k = 0.0147-0.0085-0.0060 ( 11023 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.7941 -20.7941 -20.4728 -20.4728 -20.4281 -20.4281 -20.4107 -20.4107 -20.3632 -20.3632 -20.3617 -20.3617 -16.9837 -16.9837 -16.6773 -16.6773 -16.5243 -16.5243 -3.8430 -3.8430 -3.5654 -3.5654 -3.5584 -3.5584 -3.0147 -3.0147 -2.9940 -2.9940 -2.7146 -2.7146 -2.4575 -2.4575 -2.4507 -2.4507 -2.3179 -2.3179 -1.3954 -1.3954 -1.2571 -1.2571 -1.2398 -1.2398 -1.0588 -1.0588 -0.9235 -0.9235 -0.9151 -0.9151 -0.7004 -0.7004 -0.6817 -0.6817 -0.4769 -0.4769 3.4715 3.4715 3.7163 3.7163 3.7309 3.7309 5.9803 5.9803 5.9892 5.9892 6.9314 6.9314 k = 0.0294-0.0170-0.0120 ( 11050 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.7951 -20.7951 -20.4770 -20.4770 -20.4307 -20.4307 -20.4119 -20.4119 -20.3604 -20.3604 -20.3549 -20.3549 -16.9839 -16.9839 -16.6775 -16.6775 -16.5247 -16.5247 -3.8405 -3.8405 -3.5641 -3.5641 -3.5571 -3.5571 -3.0134 -3.0134 -2.9926 -2.9926 -2.7130 -2.7130 -2.4587 -2.4587 -2.4519 -2.4519 -2.3174 -2.3174 -1.3974 -1.3974 -1.2595 -1.2595 -1.2418 -1.2418 -1.0612 -1.0612 -0.9246 -0.9246 -0.9162 -0.9162 -0.7003 -0.7003 -0.6816 -0.6816 -0.4780 -0.4780 3.4723 3.4723 3.7171 3.7171 3.7318 3.7318 5.9815 5.9815 5.9905 5.9905 6.9375 6.9375 k = 0.0441-0.0255-0.0180 ( 11044 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.7968 -20.7968 -20.4837 -20.4837 -20.4343 -20.4343 -20.4128 -20.4128 -20.3562 -20.3562 -20.3453 -20.3453 -16.9843 -16.9843 -16.6778 -16.6778 -16.5253 -16.5253 -3.8363 -3.8363 -3.5621 -3.5621 -3.5550 -3.5550 -3.0113 -3.0113 -2.9903 -2.9903 -2.7104 -2.7104 -2.4608 -2.4608 -2.4539 -2.4539 -2.3165 -2.3165 -1.4008 -1.4008 -1.2638 -1.2638 -1.2448 -1.2448 -1.0653 -1.0653 -0.9268 -0.9268 -0.9177 -0.9177 -0.7001 -0.7001 -0.6815 -0.6815 -0.4798 -0.4798 3.4737 3.4737 3.7185 3.7185 3.7333 3.7333 5.9834 5.9834 5.9927 5.9927 6.9475 6.9475 k = 0.0588-0.0340-0.0240 ( 11059 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.7990 -20.7990 -20.4922 -20.4922 -20.4386 -20.4386 -20.4129 -20.4129 -20.3511 -20.3511 -20.3338 -20.3338 -16.9849 -16.9849 -16.6783 -16.6783 -16.5262 -16.5262 -3.8304 -3.8304 -3.5593 -3.5593 -3.5519 -3.5519 -3.0085 -3.0085 -2.9870 -2.9870 -2.7069 -2.7069 -2.4638 -2.4638 -2.4565 -2.4565 -2.3154 -2.3154 -1.4057 -1.4057 -1.2702 -1.2702 -1.2483 -1.2483 -1.0709 -1.0709 -0.9303 -0.9303 -0.9192 -0.9192 -0.6999 -0.6999 -0.6813 -0.6813 -0.4824 -0.4824 3.4756 3.4756 3.7203 3.7203 3.7354 3.7354 5.9860 5.9860 5.9958 5.9958 6.9616 6.9616 k = 0.0735-0.0425-0.0300 ( 11065 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8019 -20.8019 -20.5020 -20.5020 -20.4434 -20.4434 -20.4120 -20.4120 -20.3454 -20.3454 -20.3213 -20.3213 -16.9856 -16.9856 -16.6789 -16.6789 -16.5273 -16.5273 -3.8228 -3.8228 -3.5558 -3.5558 -3.5479 -3.5479 -3.0050 -3.0050 -2.9825 -2.9825 -2.7023 -2.7023 -2.4679 -2.4679 -2.4597 -2.4597 -2.3139 -2.3139 -1.4123 -1.4123 -1.2790 -1.2790 -1.2520 -1.2520 -1.0780 -1.0780 -0.9350 -0.9350 -0.9205 -0.9205 -0.6999 -0.6999 -0.6812 -0.6812 -0.4857 -0.4857 3.4780 3.4780 3.7226 3.7226 3.7382 3.7382 5.9891 5.9891 5.9999 5.9999 6.9797 6.9797 k = 0.0882-0.0509-0.0360 ( 11077 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8053 -20.8053 -20.5125 -20.5125 -20.4488 -20.4488 -20.4099 -20.4099 -20.3393 -20.3393 -20.3081 -20.3081 -16.9865 -16.9865 -16.6796 -16.6796 -16.5287 -16.5287 -3.8136 -3.8136 -3.5518 -3.5518 -3.5429 -3.5429 -3.0010 -3.0010 -2.9769 -2.9769 -2.6967 -2.6967 -2.4730 -2.4730 -2.4635 -2.4635 -2.3121 -2.3121 -1.4206 -1.4206 -1.2903 -1.2903 -1.2555 -1.2555 -1.0866 -1.0866 -0.9409 -0.9409 -0.9215 -0.9215 -0.7001 -0.7001 -0.6810 -0.6810 -0.4897 -0.4897 3.4809 3.4809 3.7252 3.7252 3.7417 3.7417 5.9927 5.9927 6.0050 6.0050 7.0016 7.0016 k = 0.1029-0.0594-0.0420 ( 11077 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8092 -20.8092 -20.5235 -20.5235 -20.4544 -20.4544 -20.4070 -20.4070 -20.3329 -20.3329 -20.2945 -20.2945 -16.9875 -16.9875 -16.6804 -16.6804 -16.5303 -16.5303 -3.8028 -3.8028 -3.5471 -3.5471 -3.5369 -3.5369 -2.9966 -2.9966 -2.9700 -2.9700 -2.6901 -2.6901 -2.4791 -2.4791 -2.4679 -2.4679 -2.3099 -2.3099 -1.4309 -1.4309 -1.3039 -1.3039 -1.2587 -1.2587 -1.0966 -1.0966 -0.9477 -0.9477 -0.9224 -0.9224 -0.7006 -0.7006 -0.6809 -0.6809 -0.4944 -0.4944 3.4842 3.4842 3.7281 3.7281 3.7458 3.7458 5.9967 5.9967 6.0112 6.0112 7.0275 7.0275 k = 0.1176-0.0679-0.0480 ( 11077 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8135 -20.8135 -20.5346 -20.5346 -20.4603 -20.4603 -20.4033 -20.4033 -20.3265 -20.3265 -20.2806 -20.2806 -16.9886 -16.9886 -16.6814 -16.6814 -16.5321 -16.5321 -3.7904 -3.7904 -3.5420 -3.5420 -3.5300 -3.5300 -2.9918 -2.9918 -2.9617 -2.9617 -2.6826 -2.6826 -2.4863 -2.4863 -2.4728 -2.4728 -2.3075 -2.3075 -1.4432 -1.4432 -1.3198 -1.3198 -1.2616 -1.2616 -1.1079 -1.1079 -0.9553 -0.9553 -0.9230 -0.9230 -0.7015 -0.7015 -0.6808 -0.6808 -0.4997 -0.4997 3.4880 3.4880 3.7312 3.7312 3.7506 3.7506 6.0012 6.0012 6.0183 6.0183 7.0571 7.0571 k = 0.1324-0.0764-0.0540 ( 11092 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8182 -20.8182 -20.5457 -20.5457 -20.4662 -20.4662 -20.3990 -20.3990 -20.3200 -20.3200 -20.2666 -20.2666 -16.9899 -16.9899 -16.6824 -16.6824 -16.5341 -16.5341 -3.7765 -3.7765 -3.5363 -3.5363 -3.5221 -3.5221 -2.9867 -2.9867 -2.9522 -2.9522 -2.6742 -2.6742 -2.4945 -2.4945 -2.4783 -2.4783 -2.3047 -2.3047 -1.4575 -1.4575 -1.3378 -1.3378 -1.2640 -1.2640 -1.1205 -1.1205 -0.9633 -0.9633 -0.9233 -0.9233 -0.7029 -0.7029 -0.6808 -0.6808 -0.5057 -0.5057 3.4921 3.4921 3.7345 3.7345 3.7561 3.7561 6.0059 6.0059 6.0263 6.0263 7.0905 7.0905 k = 0.1471-0.0849-0.0600 ( 11098 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8232 -20.8232 -20.5567 -20.5567 -20.4722 -20.4722 -20.3943 -20.3943 -20.3134 -20.3134 -20.2526 -20.2526 -16.9912 -16.9912 -16.6836 -16.6836 -16.5362 -16.5362 -3.7612 -3.7612 -3.5302 -3.5302 -3.5133 -3.5133 -2.9811 -2.9811 -2.9415 -2.9415 -2.6650 -2.6650 -2.5036 -2.5036 -2.4844 -2.4844 -2.3018 -2.3018 -1.4738 -1.4738 -1.3579 -1.3579 -1.2659 -1.2659 -1.1342 -1.1342 -0.9716 -0.9716 -0.9233 -0.9233 -0.7049 -0.7049 -0.6809 -0.6809 -0.5123 -0.5123 3.4966 3.4966 3.7380 3.7380 3.7622 3.7622 6.0111 6.0111 6.0350 6.0350 7.1276 7.1276 k = 0.1618-0.0934-0.0660 ( 11101 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8285 -20.8285 -20.5675 -20.5675 -20.4781 -20.4781 -20.3893 -20.3893 -20.3070 -20.3070 -20.2387 -20.2387 -16.9927 -16.9927 -16.6848 -16.6848 -16.5385 -16.5385 -3.7443 -3.7443 -3.5236 -3.5236 -3.5037 -3.5037 -2.9753 -2.9753 -2.9295 -2.9295 -2.6550 -2.6550 -2.5135 -2.5135 -2.4912 -2.4912 -2.2986 -2.2986 -1.4920 -1.4920 -1.3799 -1.3799 -1.2673 -1.2673 -1.1490 -1.1490 -0.9800 -0.9800 -0.9229 -0.9229 -0.7075 -0.7075 -0.6812 -0.6812 -0.5196 -0.5196 3.5013 3.5013 3.7416 3.7416 3.7687 3.7687 6.0166 6.0166 6.0445 6.0445 7.1682 7.1682 k = 0.1765-0.1019-0.0720 ( 11113 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8339 -20.8339 -20.5780 -20.5780 -20.4840 -20.4840 -20.3839 -20.3839 -20.3006 -20.3006 -20.2249 -20.2249 -16.9943 -16.9943 -16.6861 -16.6861 -16.5410 -16.5410 -3.7261 -3.7261 -3.5166 -3.5166 -3.4933 -3.4933 -2.9690 -2.9690 -2.9164 -2.9164 -2.6445 -2.6445 -2.5239 -2.5239 -2.4985 -2.4985 -2.2953 -2.2953 -1.5121 -1.5121 -1.4038 -1.4038 -1.2683 -1.2683 -1.1648 -1.1648 -0.9885 -0.9885 -0.9221 -0.9221 -0.7108 -0.7108 -0.6816 -0.6816 -0.5274 -0.5274 3.5063 3.5063 3.7453 3.7453 3.7758 3.7758 6.0224 6.0224 6.0545 6.0545 7.2122 7.2122 k = 0.1912-0.1104-0.0780 ( 11101 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8394 -20.8394 -20.5882 -20.5882 -20.4897 -20.4897 -20.3784 -20.3784 -20.2943 -20.2943 -20.2113 -20.2113 -16.9960 -16.9960 -16.6874 -16.6874 -16.5435 -16.5435 -3.7066 -3.7066 -3.5092 -3.5092 -3.4821 -3.4821 -2.9625 -2.9625 -2.9022 -2.9022 -2.6338 -2.6338 -2.5345 -2.5345 -2.5065 -2.5065 -2.2918 -2.2918 -1.5339 -1.5339 -1.4294 -1.4294 -1.2689 -1.2689 -1.1812 -1.1812 -0.9968 -0.9968 -0.9209 -0.9209 -0.7147 -0.7147 -0.6823 -0.6823 -0.5357 -0.5357 3.5115 3.5115 3.7492 3.7492 3.7831 3.7831 6.0284 6.0284 6.0651 6.0651 7.2597 7.2597 k = 0.2059-0.1189-0.0841 ( 11095 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8451 -20.8451 -20.5980 -20.5980 -20.4953 -20.4953 -20.3727 -20.3727 -20.2882 -20.2882 -20.1980 -20.1980 -16.9977 -16.9977 -16.6888 -16.6888 -16.5462 -16.5462 -3.6858 -3.6858 -3.5015 -3.5015 -3.4702 -3.4702 -2.9555 -2.9555 -2.8870 -2.8870 -2.6238 -2.6238 -2.5446 -2.5446 -2.5150 -2.5150 -2.2883 -2.2883 -1.5572 -1.5572 -1.4566 -1.4566 -1.2693 -1.2693 -1.1982 -1.1982 -1.0048 -1.0048 -0.9193 -0.9193 -0.7193 -0.7193 -0.6832 -0.6832 -0.5445 -0.5445 3.5169 3.5169 3.7531 3.7531 3.7908 3.7908 6.0347 6.0347 6.0761 6.0761 7.3104 7.3104 k = 0.2206-0.1274-0.0901 ( 11107 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8507 -20.8507 -20.6075 -20.6075 -20.5007 -20.5007 -20.3670 -20.3670 -20.2823 -20.2823 -20.1849 -20.1849 -16.9995 -16.9995 -16.6903 -16.6903 -16.5489 -16.5489 -3.6639 -3.6639 -3.4935 -3.4935 -3.4576 -3.4576 -2.9483 -2.9483 -2.8708 -2.8708 -2.6161 -2.6161 -2.5522 -2.5522 -2.5242 -2.5242 -2.2847 -2.2847 -1.5820 -1.5820 -1.4853 -1.4853 -1.2699 -1.2699 -1.2152 -1.2152 -1.0123 -1.0123 -0.9171 -0.9171 -0.7246 -0.7246 -0.6844 -0.6844 -0.5538 -0.5538 3.5223 3.5223 3.7571 3.7571 3.7988 3.7988 6.0412 6.0412 6.0875 6.0875 7.3643 7.3643 k = 0.2353-0.1358-0.0961 ( 11092 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8563 -20.8563 -20.6165 -20.6165 -20.5060 -20.5060 -20.3613 -20.3613 -20.2765 -20.2765 -20.1722 -20.1722 -17.0013 -17.0013 -16.6917 -16.6917 -16.5517 -16.5517 -3.6409 -3.6409 -3.4853 -3.4853 -3.4445 -3.4445 -2.9408 -2.9408 -2.8537 -2.8537 -2.6143 -2.6143 -2.5540 -2.5540 -2.5338 -2.5338 -2.2811 -2.2811 -1.6079 -1.6079 -1.5153 -1.5153 -1.2716 -1.2716 -1.2312 -1.2312 -1.0194 -1.0194 -0.9145 -0.9145 -0.7304 -0.7304 -0.6858 -0.6858 -0.5635 -0.5635 3.5278 3.5278 3.7611 3.7611 3.8068 3.8068 6.0477 6.0477 6.0991 6.0991 7.4212 7.4212 k = 0.2500-0.1443-0.1021 ( 11092 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8619 -20.8619 -20.6251 -20.6251 -20.5110 -20.5110 -20.3556 -20.3556 -20.2709 -20.2709 -20.1599 -20.1599 -17.0031 -17.0031 -16.6932 -16.6932 -16.5545 -16.5545 -3.6169 -3.6169 -3.4770 -3.4770 -3.4309 -3.4309 -2.9330 -2.9330 -2.8358 -2.8358 -2.6202 -2.6202 -2.5483 -2.5483 -2.5435 -2.5435 -2.2776 -2.2776 -1.6349 -1.6349 -1.5466 -1.5466 -1.2766 -1.2766 -1.2438 -1.2438 -1.0260 -1.0260 -0.9113 -0.9113 -0.7368 -0.7368 -0.6876 -0.6876 -0.5736 -0.5736 3.5333 3.5333 3.7651 3.7651 3.8149 3.8149 6.0544 6.0544 6.1108 6.1108 7.4810 7.4810 k = 0.2647-0.1528-0.1081 ( 11086 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8674 -20.8674 -20.6333 -20.6333 -20.5158 -20.5158 -20.3500 -20.3500 -20.2656 -20.2656 -20.1481 -20.1481 -17.0050 -17.0050 -16.6947 -16.6947 -16.5573 -16.5573 -3.5919 -3.5919 -3.4685 -3.4685 -3.4168 -3.4168 -2.9250 -2.9250 -2.8171 -2.8171 -2.6318 -2.6318 -2.5547 -2.5547 -2.5357 -2.5357 -2.2742 -2.2742 -1.6628 -1.6628 -1.5789 -1.5789 -1.2879 -1.2879 -1.2502 -1.2502 -1.0319 -1.0319 -0.9077 -0.9077 -0.7438 -0.7438 -0.6896 -0.6896 -0.5840 -0.5840 3.5388 3.5388 3.7692 3.7692 3.8231 3.8231 6.0610 6.0610 6.1225 6.1225 7.5436 7.5436 k = 0.2794-0.1613-0.1141 ( 11080 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8727 -20.8727 -20.6410 -20.6410 -20.5204 -20.5204 -20.3446 -20.3446 -20.2605 -20.2605 -20.1367 -20.1367 -17.0068 -17.0068 -16.6962 -16.6962 -16.5600 -16.5600 -3.5662 -3.5662 -3.4601 -3.4601 -3.4024 -3.4024 -2.9169 -2.9169 -2.7979 -2.7979 -2.6465 -2.6465 -2.5654 -2.5654 -2.5207 -2.5207 -2.2710 -2.2710 -1.6914 -1.6914 -1.6122 -1.6122 -1.3037 -1.3037 -1.2516 -1.2516 -1.0371 -1.0371 -0.9036 -0.9036 -0.7512 -0.7512 -0.6919 -0.6919 -0.5947 -0.5947 3.5441 3.5441 3.7731 3.7731 3.8311 3.8311 6.0677 6.0677 6.1342 6.1342 7.6088 7.6088 k = 0.2941-0.1698-0.1201 ( 11086 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8778 -20.8778 -20.6483 -20.6483 -20.5247 -20.5247 -20.3393 -20.3393 -20.2557 -20.2557 -20.1259 -20.1259 -17.0087 -17.0087 -16.6976 -16.6976 -16.5627 -16.5627 -3.5399 -3.5399 -3.4517 -3.4517 -3.3877 -3.3877 -2.9088 -2.9088 -2.7782 -2.7782 -2.6630 -2.6630 -2.5764 -2.5764 -2.5036 -2.5036 -2.2678 -2.2678 -1.7205 -1.7205 -1.6462 -1.6462 -1.3214 -1.3214 -1.2509 -1.2509 -1.0415 -1.0415 -0.8990 -0.8990 -0.7591 -0.7591 -0.6944 -0.6944 -0.6056 -0.6056 3.5494 3.5494 3.7770 3.7770 3.8390 3.8390 6.0742 6.0742 6.1457 6.1457 7.6765 7.6765 k = 0.3088-0.1783-0.1261 ( 11077 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8827 -20.8827 -20.6550 -20.6550 -20.5288 -20.5288 -20.3342 -20.3342 -20.2511 -20.2511 -20.1157 -20.1157 -17.0104 -17.0104 -16.6990 -16.6990 -16.5654 -16.5654 -3.5130 -3.5130 -3.4433 -3.4433 -3.3729 -3.3729 -2.9007 -2.9007 -2.7584 -2.7584 -2.6806 -2.6806 -2.5872 -2.5872 -2.4851 -2.4851 -2.2649 -2.2649 -1.7500 -1.7500 -1.6808 -1.6808 -1.3396 -1.3396 -1.2492 -1.2492 -1.0453 -1.0453 -0.8939 -0.8939 -0.7673 -0.7673 -0.6972 -0.6972 -0.6167 -0.6167 3.5544 3.5544 3.7808 3.7808 3.8467 3.8467 6.0805 6.0805 6.1570 6.1570 7.7465 7.7465 k = 0.3235-0.1868-0.1321 ( 11077 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.8874 -20.8874 -20.6613 -20.6613 -20.5326 -20.5326 -20.3294 -20.3294 -20.2468 -20.2468 -20.1060 -20.1060 -17.0122 -17.0122 -16.7004 -16.7004 -16.5679 -16.5679 -3.4858 -3.4858 -3.4352 -3.4352 -3.3580 -3.3580 -2.8928 -2.8928 -2.7388 -2.7388 -2.6989 -2.6989 -2.5977 -2.5977 -2.4655 -2.4655 -2.2621 -2.2621 -1.7796 -1.7796 -1.7158 -1.7158 -1.3577 -1.3577 -1.2470 -1.2470 -1.0482 -1.0482 -0.8883 -0.8883 -0.7757 -0.7757 -0.7002 -0.7002 -0.6278 -0.6278 3.5593 3.5593 3.7844 3.7844 3.8541 3.8541 6.0867 6.0867 6.1678 6.1678 7.8187 7.8187 k = 0.3382-0.1953-0.1381 ( 11072 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.8918 -20.8918 -20.6672 -20.6672 -20.5362 -20.5362 -20.3248 -20.3248 -20.2428 -20.2428 -20.0970 -20.0970 -17.0138 -17.0138 -16.7017 -16.7017 -16.5704 -16.5704 -3.4585 -3.4585 -3.4271 -3.4271 -3.3433 -3.3433 -2.8852 -2.8852 -2.7201 -2.7201 -2.7175 -2.7175 -2.6070 -2.6070 -2.4450 -2.4450 -2.2596 -2.2596 -1.8091 -1.8091 -1.7511 -1.7511 -1.3753 -1.3753 -1.2446 -1.2446 -1.0505 -1.0505 -0.8824 -0.8824 -0.7843 -0.7843 -0.7034 -0.7034 -0.6388 -0.6388 3.5638 3.5638 3.7878 3.7878 3.8611 3.8611 6.0926 6.0926 6.1783 6.1783 7.8928 7.8928 k = 0.3529-0.2038-0.1441 ( 11084 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.8959 -20.8959 -20.6725 -20.6725 -20.5395 -20.5395 -20.3206 -20.3206 -20.2392 -20.2392 -20.0886 -20.0886 -17.0154 -17.0154 -16.7029 -16.7029 -16.5726 -16.5726 -3.4322 -3.4322 -3.4185 -3.4185 -3.3288 -3.3288 -2.8782 -2.8782 -2.7365 -2.7365 -2.7032 -2.7032 -2.6141 -2.6141 -2.4238 -2.4238 -2.2571 -2.2571 -1.8383 -1.8383 -1.7865 -1.7865 -1.3923 -1.3923 -1.2419 -1.2419 -1.0520 -1.0520 -0.8760 -0.8760 -0.7929 -0.7929 -0.7069 -0.7069 -0.6497 -0.6497 3.5682 3.5682 3.7911 3.7911 3.8678 3.8678 6.0982 6.0982 6.1881 6.1881 7.9686 7.9686 k = 0.3676-0.2123-0.1501 ( 11090 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.8997 -20.8997 -20.6773 -20.6773 -20.5424 -20.5424 -20.3167 -20.3167 -20.2358 -20.2358 -20.0809 -20.0809 -17.0169 -17.0169 -16.7041 -16.7041 -16.5748 -16.5748 -3.4154 -3.4154 -3.4009 -3.4009 -3.3148 -3.3148 -2.8721 -2.8721 -2.7551 -2.7551 -2.6908 -2.6908 -2.6167 -2.6167 -2.4019 -2.4019 -2.2548 -2.2548 -1.8670 -1.8670 -1.8217 -1.8217 -1.4083 -1.4083 -1.2393 -1.2393 -1.0528 -1.0528 -0.8693 -0.8693 -0.8013 -0.8013 -0.7106 -0.7106 -0.6604 -0.6604 3.5721 3.5721 3.7941 3.7941 3.8740 3.8740 6.1034 6.1034 6.1973 6.1973 8.0460 8.0460 k = 0.3824-0.2208-0.1561 ( 11093 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9031 -20.9031 -20.6816 -20.6816 -20.5451 -20.5451 -20.3131 -20.3131 -20.2328 -20.2328 -20.0740 -20.0740 -17.0182 -17.0182 -16.7052 -16.7052 -16.5767 -16.5767 -3.4078 -3.4078 -3.3752 -3.3752 -3.3013 -3.3013 -2.8673 -2.8673 -2.7728 -2.7728 -2.6854 -2.6854 -2.6123 -2.6123 -2.3796 -2.3796 -2.2524 -2.2524 -1.8949 -1.8949 -1.8567 -1.8567 -1.4233 -1.4233 -1.2367 -1.2367 -1.0531 -1.0531 -0.8624 -0.8624 -0.8094 -0.8094 -0.7147 -0.7147 -0.6705 -0.6705 3.5758 3.5758 3.7969 3.7969 3.8797 3.8797 6.1082 6.1082 6.2058 6.2058 8.1247 8.1247 k = 0.3971-0.2292-0.1621 ( 11087 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9061 -20.9061 -20.6855 -20.6855 -20.5475 -20.5475 -20.3099 -20.3099 -20.2301 -20.2301 -20.0678 -20.0678 -17.0195 -17.0195 -16.7061 -16.7061 -16.5785 -16.5785 -3.4016 -3.4016 -3.3494 -3.3494 -3.2886 -3.2886 -2.8648 -2.8648 -2.7885 -2.7885 -2.6866 -2.6866 -2.6013 -2.6013 -2.3570 -2.3570 -2.2498 -2.2498 -1.9217 -1.9217 -1.8909 -1.8909 -1.4369 -1.4369 -1.2342 -1.2342 -1.0528 -1.0528 -0.8554 -0.8554 -0.8170 -0.8170 -0.7193 -0.7193 -0.6798 -0.6798 3.5790 3.5790 3.7994 3.7994 3.8848 3.8848 6.1125 6.1125 6.2135 6.2135 8.2043 8.2043 k = 0.4118-0.2377-0.1681 ( 11099 PWs) bands (ev): -56.5161 -56.5161 -35.9666 -35.9666 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9088 -20.9088 -20.6888 -20.6888 -20.5495 -20.5495 -20.3071 -20.3071 -20.2277 -20.2277 -20.0624 -20.0624 -17.0206 -17.0206 -16.7070 -16.7070 -16.5801 -16.5801 -3.3962 -3.3962 -3.3246 -3.3246 -3.2770 -3.2770 -2.8659 -2.8659 -2.8007 -2.8007 -2.6916 -2.6916 -2.5868 -2.5868 -2.3348 -2.3348 -2.2465 -2.2465 -1.9475 -1.9475 -1.9240 -1.9240 -1.4491 -1.4491 -1.2318 -1.2318 -1.0522 -1.0522 -0.8488 -0.8488 -0.8233 -0.8233 -0.7246 -0.7246 -0.6880 -0.6880 3.5819 3.5819 3.8016 3.8016 3.8893 3.8893 6.1164 6.1164 6.2203 6.2203 8.2845 8.2845 k = 0.4265-0.2462-0.1741 ( 11093 PWs) bands (ev): -56.5161 -56.5161 -35.9666 -35.9666 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9111 -20.9111 -20.6916 -20.6916 -20.5513 -20.5513 -20.3047 -20.3047 -20.2257 -20.2257 -20.0578 -20.0578 -17.0215 -17.0215 -16.7077 -16.7077 -16.5814 -16.5814 -3.3916 -3.3916 -3.3016 -3.3016 -3.2665 -3.2665 -2.8714 -2.8714 -2.8082 -2.8082 -2.6978 -2.6978 -2.5715 -2.5715 -2.3139 -2.3139 -2.2418 -2.2418 -1.9727 -1.9727 -1.9544 -1.9544 -1.4597 -1.4597 -1.2297 -1.2297 -1.0513 -1.0513 -0.8441 -0.8441 -0.8269 -0.8269 -0.7308 -0.7308 -0.6947 -0.6947 3.5844 3.5844 3.8035 3.8035 3.8932 3.8932 6.1197 6.1197 6.2262 6.2262 8.3649 8.3649 k = 0.4412-0.2547-0.1801 ( 11096 PWs) bands (ev): -56.5161 -56.5161 -35.9666 -35.9666 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9130 -20.9130 -20.6939 -20.6939 -20.5527 -20.5527 -20.3027 -20.3027 -20.2240 -20.2240 -20.0540 -20.0540 -17.0223 -17.0223 -16.7083 -16.7083 -16.5825 -16.5825 -3.3877 -3.3877 -3.2810 -3.2810 -3.2574 -3.2574 -2.8806 -2.8806 -2.8113 -2.8113 -2.7040 -2.7040 -2.5570 -2.5570 -2.2958 -2.2958 -2.2343 -2.2343 -1.9991 -1.9991 -1.9796 -1.9796 -1.4686 -1.4686 -1.2279 -1.2279 -1.0502 -1.0502 -0.8440 -0.8440 -0.8250 -0.8250 -0.7376 -0.7376 -0.6999 -0.6999 3.5864 3.5864 3.8051 3.8051 3.8965 3.8965 6.1225 6.1225 6.2310 6.2310 8.4449 8.4449 k = 0.4559-0.2632-0.1861 ( 11096 PWs) bands (ev): -56.5161 -56.5161 -35.9666 -35.9666 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9145 -20.9145 -20.6957 -20.6957 -20.5539 -20.5539 -20.3012 -20.3012 -20.2228 -20.2228 -20.0511 -20.0511 -17.0229 -17.0229 -16.7088 -16.7088 -16.5834 -16.5834 -3.3847 -3.3847 -3.2638 -3.2638 -3.2496 -3.2496 -2.8908 -2.8908 -2.8119 -2.8119 -2.7094 -2.7094 -2.5446 -2.5446 -2.2828 -2.2828 -2.2224 -2.2224 -2.0267 -2.0267 -1.9983 -1.9983 -1.4757 -1.4757 -1.2265 -1.2265 -1.0492 -1.0492 -0.8468 -0.8468 -0.8195 -0.8195 -0.7448 -0.7448 -0.7036 -0.7036 3.5880 3.5880 3.8064 3.8064 3.8990 3.8990 6.1247 6.1247 6.2349 6.2349 8.5238 8.5238 k = 0.4706-0.2717-0.1921 ( 11090 PWs) bands (ev): -56.5161 -56.5161 -35.9666 -35.9666 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9156 -20.9156 -20.6970 -20.6970 -20.5547 -20.5547 -20.3001 -20.3001 -20.2218 -20.2218 -20.0489 -20.0489 -17.0233 -17.0233 -16.7091 -16.7091 -16.5840 -16.5840 -3.3825 -3.3825 -3.2516 -3.2516 -3.2429 -3.2429 -2.8999 -2.8999 -2.8116 -2.8116 -2.7135 -2.7135 -2.5349 -2.5349 -2.2752 -2.2752 -2.2069 -2.2069 -2.0526 -2.0526 -2.0115 -2.0115 -1.4808 -1.4808 -1.2254 -1.2254 -1.0483 -1.0483 -0.8497 -0.8497 -0.8135 -0.8135 -0.7514 -0.7514 -0.7061 -0.7061 3.5892 3.5892 3.8073 3.8073 3.9008 3.9008 6.1262 6.1262 6.2377 6.2377 8.6006 8.6006 k = 0.4853-0.2802-0.1981 ( 11075 PWs) bands (ev): -56.5161 -56.5161 -35.9666 -35.9666 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9162 -20.9162 -20.6977 -20.6977 -20.5552 -20.5552 -20.2994 -20.2994 -20.2213 -20.2213 -20.0477 -20.0477 -17.0236 -17.0236 -16.7093 -16.7093 -16.5844 -16.5844 -3.3812 -3.3812 -3.2455 -3.2455 -3.2370 -3.2370 -2.9061 -2.9061 -2.8111 -2.8111 -2.7160 -2.7160 -2.5288 -2.5288 -2.2716 -2.2716 -2.1923 -2.1923 -2.0727 -2.0727 -2.0195 -2.0195 -1.4839 -1.4839 -1.2248 -1.2248 -1.0478 -1.0478 -0.8516 -0.8516 -0.8088 -0.8088 -0.7565 -0.7565 -0.7075 -0.7075 3.5899 3.5899 3.8078 3.8078 3.9019 3.9019 6.1272 6.1272 6.2393 6.2393 8.6731 8.6731 k = 0.5000-0.2887-0.2041 ( 11054 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9164 -20.9164 -20.6980 -20.6980 -20.5553 -20.5553 -20.2992 -20.2992 -20.2211 -20.2211 -20.0472 -20.0472 -17.0237 -17.0237 -16.7094 -16.7094 -16.5845 -16.5845 -3.3807 -3.3807 -3.2438 -3.2438 -3.2346 -3.2346 -2.9083 -2.9083 -2.8109 -2.8109 -2.7169 -2.7169 -2.5268 -2.5268 -2.2705 -2.2705 -2.1858 -2.1858 -2.0809 -2.0809 -2.0221 -2.0221 -1.4849 -1.4849 -1.2246 -1.2246 -1.0476 -1.0476 -0.8522 -0.8522 -0.8070 -0.8070 -0.7584 -0.7584 -0.7079 -0.7079 3.5901 3.5901 3.8080 3.8080 3.9023 3.9023 6.1275 6.1275 6.2399 6.2399 8.7221 8.7221 k = 0.5000-0.2887-0.2041 ( 11054 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9164 -20.9164 -20.6980 -20.6980 -20.5553 -20.5553 -20.2992 -20.2992 -20.2211 -20.2211 -20.0472 -20.0472 -17.0237 -17.0237 -16.7094 -16.7094 -16.5845 -16.5845 -3.3807 -3.3807 -3.2438 -3.2438 -3.2346 -3.2346 -2.9083 -2.9083 -2.8109 -2.8109 -2.7169 -2.7169 -2.5268 -2.5268 -2.2705 -2.2705 -2.1858 -2.1858 -2.0809 -2.0809 -2.0221 -2.0221 -1.4849 -1.4849 -1.2246 -1.2246 -1.0476 -1.0476 -0.8522 -0.8522 -0.8070 -0.8070 -0.7584 -0.7584 -0.7079 -0.7079 3.5901 3.5901 3.8080 3.8080 3.9023 3.9023 6.1275 6.1275 6.2399 6.2399 8.7221 8.7221 k = 0.5000-0.2784-0.2187 ( 11076 PWs) bands (ev): -56.5161 -56.5161 -35.9666 -35.9666 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9160 -20.9160 -20.6980 -20.6980 -20.5551 -20.5551 -20.2992 -20.2992 -20.2216 -20.2216 -20.0475 -20.0475 -17.0236 -17.0236 -16.7093 -16.7093 -16.5845 -16.5845 -3.3812 -3.3812 -3.2473 -3.2473 -3.2366 -3.2366 -2.9050 -2.9050 -2.8116 -2.8116 -2.7139 -2.7139 -2.5285 -2.5285 -2.2689 -2.2689 -2.1869 -2.1869 -2.0792 -2.0792 -2.0205 -2.0205 -1.4844 -1.4844 -1.2259 -1.2259 -1.0479 -1.0479 -0.8527 -0.8527 -0.8070 -0.8070 -0.7582 -0.7582 -0.7084 -0.7084 3.5902 3.5902 3.8083 3.8083 3.9021 3.9021 6.1274 6.1274 6.2387 6.2387 8.7234 8.7234 k = 0.5000-0.2681-0.2333 ( 11080 PWs) bands (ev): -56.5161 -56.5161 -35.9666 -35.9666 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9148 -20.9148 -20.6982 -20.6982 -20.5542 -20.5542 -20.2995 -20.2995 -20.2231 -20.2231 -20.0482 -20.0482 -17.0233 -17.0233 -16.7090 -16.7090 -16.5842 -16.5842 -3.3825 -3.3825 -3.2585 -3.2585 -3.2410 -3.2410 -2.8958 -2.8958 -2.8131 -2.8131 -2.7054 -2.7054 -2.5336 -2.5336 -2.2643 -2.2643 -2.1900 -2.1900 -2.0739 -2.0739 -2.0156 -2.0156 -1.4827 -1.4827 -1.2298 -1.2298 -1.0488 -1.0488 -0.8540 -0.8540 -0.8071 -0.8071 -0.7575 -0.7575 -0.7098 -0.7098 3.5904 3.5904 3.8090 3.8090 3.9016 3.9016 6.1269 6.1269 6.2353 6.2353 8.7271 8.7271 k = 0.5000-0.2577-0.2479 ( 11086 PWs) bands (ev): -56.5161 -56.5161 -35.9666 -35.9666 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9127 -20.9127 -20.6985 -20.6985 -20.5529 -20.5529 -20.3000 -20.3000 -20.2255 -20.2255 -20.0495 -20.0495 -17.0228 -17.0228 -16.7085 -16.7085 -16.5838 -16.5838 -3.3850 -3.3850 -3.2766 -3.2766 -3.2470 -3.2470 -2.8821 -2.8821 -2.8147 -2.8147 -2.6925 -2.6925 -2.5416 -2.5416 -2.2571 -2.2571 -2.1948 -2.1948 -2.0654 -2.0654 -2.0079 -2.0079 -1.4800 -1.4800 -1.2364 -1.2364 -1.0504 -1.0504 -0.8562 -0.8562 -0.8073 -0.8073 -0.7564 -0.7564 -0.7121 -0.7121 3.5908 3.5908 3.8102 3.8102 3.9007 3.9007 6.1262 6.1262 6.2297 6.2297 8.7334 8.7334 k = 0.5000-0.2474-0.2624 ( 11090 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9099 -20.9099 -20.6988 -20.6988 -20.5510 -20.5510 -20.3006 -20.3006 -20.2290 -20.2290 -20.0513 -20.0513 -17.0220 -17.0220 -16.7078 -16.7078 -16.5832 -16.5832 -3.3887 -3.3887 -3.2999 -3.2999 -3.2541 -3.2541 -2.8655 -2.8655 -2.8153 -2.8153 -2.6764 -2.6764 -2.5519 -2.5519 -2.2476 -2.2476 -2.2006 -2.2006 -2.0537 -2.0537 -1.9978 -1.9978 -1.4762 -1.4762 -1.2455 -1.2455 -1.0526 -1.0526 -0.8593 -0.8593 -0.8075 -0.8075 -0.7550 -0.7550 -0.7152 -0.7152 3.5913 3.5913 3.8119 3.8119 3.8995 3.8995 6.1252 6.1252 6.2219 6.2219 8.7421 8.7421 k = 0.5000-0.2371-0.2770 ( 11094 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9062 -20.9062 -20.6993 -20.6993 -20.5486 -20.5486 -20.3015 -20.3015 -20.2333 -20.2333 -20.0535 -20.0535 -17.0211 -17.0211 -16.7069 -16.7069 -16.5825 -16.5825 -3.3939 -3.3939 -3.3266 -3.3266 -3.2621 -3.2621 -2.8474 -2.8474 -2.8146 -2.8146 -2.6580 -2.6580 -2.5640 -2.5640 -2.2366 -2.2366 -2.2067 -2.2067 -2.0392 -2.0392 -1.9857 -1.9857 -1.4713 -1.4713 -1.2572 -1.2572 -1.0554 -1.0554 -0.8630 -0.8630 -0.8078 -0.8078 -0.7533 -0.7533 -0.7191 -0.7191 3.5919 3.5919 3.8140 3.8140 3.8980 3.8980 6.1240 6.1240 6.2121 6.2121 8.7532 8.7532 k = 0.5000-0.2268-0.2916 ( 11092 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9018 -20.9018 -20.6998 -20.6998 -20.5456 -20.5456 -20.3026 -20.3026 -20.2386 -20.2386 -20.0561 -20.0561 -17.0200 -17.0200 -16.7059 -16.7059 -16.5817 -16.5817 -3.4010 -3.4010 -3.3556 -3.3556 -3.2701 -3.2701 -2.8292 -2.8292 -2.8123 -2.8123 -2.6382 -2.6382 -2.5773 -2.5773 -2.2260 -2.2260 -2.2111 -2.2111 -2.0220 -2.0220 -1.9721 -1.9721 -1.4655 -1.4655 -1.2712 -1.2712 -1.0588 -1.0588 -0.8675 -0.8675 -0.8082 -0.8082 -0.7514 -0.7514 -0.7236 -0.7236 3.5925 3.5925 3.8166 3.8166 3.8962 3.8962 6.1226 6.1226 6.2004 6.2004 8.7666 8.7666 k = 0.5000-0.2165-0.3062 ( 11090 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.8967 -20.8967 -20.7004 -20.7004 -20.5421 -20.5421 -20.3038 -20.3038 -20.2447 -20.2447 -20.0592 -20.0592 -17.0188 -17.0188 -16.7047 -16.7047 -16.5807 -16.5807 -3.4105 -3.4105 -3.3855 -3.3855 -3.2775 -3.2775 -2.8123 -2.8123 -2.8076 -2.8076 -2.6174 -2.6174 -2.5913 -2.5913 -2.2249 -2.2249 -2.2046 -2.2046 -2.0026 -2.0026 -1.9572 -1.9572 -1.4587 -1.4587 -1.2875 -1.2875 -1.0627 -1.0627 -0.8726 -0.8726 -0.8090 -0.8090 -0.7495 -0.7495 -0.7286 -0.7286 3.5932 3.5932 3.8196 3.8196 3.8940 3.8940 6.1209 6.1209 6.1870 6.1870 8.7823 8.7824 k = 0.5000-0.2062-0.3208 ( 11090 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8909 -20.8909 -20.7011 -20.7011 -20.5381 -20.5381 -20.3054 -20.3054 -20.2516 -20.2516 -20.0627 -20.0627 -17.0174 -17.0174 -16.7034 -16.7034 -16.5795 -16.5795 -3.4247 -3.4247 -3.4136 -3.4136 -3.2840 -3.2840 -2.8035 -2.8035 -2.7945 -2.7945 -2.6062 -2.6062 -2.5954 -2.5954 -2.2301 -2.2301 -2.1903 -2.1903 -1.9811 -1.9811 -1.9413 -1.9413 -1.4511 -1.4511 -1.3060 -1.3060 -1.0671 -1.0671 -0.8782 -0.8782 -0.8103 -0.8103 -0.7475 -0.7475 -0.7339 -0.7339 3.5939 3.5939 3.8230 3.8230 3.8916 3.8916 6.1191 6.1191 6.1720 6.1720 8.8002 8.8002 k = 0.5000-0.1959-0.3353 ( 11084 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8844 -20.8844 -20.7017 -20.7017 -20.5336 -20.5336 -20.3071 -20.3071 -20.2593 -20.2593 -20.0665 -20.0665 -17.0159 -17.0159 -16.7019 -16.7019 -16.5783 -16.5783 -3.4511 -3.4511 -3.4315 -3.4315 -3.2891 -3.2891 -2.7964 -2.7964 -2.7802 -2.7802 -2.6199 -2.6199 -2.5742 -2.5742 -2.2357 -2.2357 -2.1742 -2.1742 -1.9579 -1.9579 -1.9245 -1.9245 -1.4427 -1.4427 -1.3264 -1.3264 -1.0720 -1.0720 -0.8844 -0.8844 -0.8122 -0.8122 -0.7457 -0.7457 -0.7391 -0.7391 3.5945 3.5945 3.8267 3.8267 3.8890 3.8890 6.1170 6.1170 6.1559 6.1559 8.8199 8.8203 k = 0.5000-0.1856-0.3499 ( 11078 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8774 -20.8774 -20.7024 -20.7024 -20.5287 -20.5287 -20.3091 -20.3091 -20.2677 -20.2677 -20.0706 -20.0706 -17.0143 -17.0143 -16.7003 -16.7003 -16.5770 -16.5770 -3.4816 -3.4816 -3.4470 -3.4470 -3.2929 -3.2929 -2.7882 -2.7882 -2.7680 -2.7680 -2.6331 -2.6331 -2.5528 -2.5528 -2.2408 -2.2408 -2.1572 -2.1572 -1.9333 -1.9333 -1.9071 -1.9071 -1.4339 -1.4339 -1.3484 -1.3484 -1.0773 -1.0773 -0.8909 -0.8909 -0.8152 -0.8152 -0.7450 -0.7450 -0.7428 -0.7428 3.5951 3.5951 3.8307 3.8307 3.8862 3.8862 6.1145 6.1145 6.1389 6.1389 8.8325 8.8326 k = 0.5000-0.1753-0.3645 ( 11084 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8699 -20.8699 -20.7029 -20.7029 -20.5232 -20.5232 -20.3115 -20.3115 -20.2767 -20.2767 -20.0750 -20.0750 -17.0126 -17.0126 -16.6987 -16.6987 -16.5757 -16.5757 -3.5121 -3.5121 -3.4631 -3.4631 -3.2955 -3.2955 -2.7791 -2.7791 -2.7587 -2.7587 -2.6449 -2.6449 -2.5319 -2.5319 -2.2450 -2.2450 -2.1396 -2.1396 -1.9077 -1.9077 -1.8889 -1.8889 -1.4253 -1.4253 -1.3712 -1.3712 -1.0831 -1.0831 -0.8979 -0.8979 -0.8195 -0.8195 -0.7488 -0.7488 -0.7416 -0.7416 3.5955 3.5955 3.8349 3.8349 3.8832 3.8832 6.1104 6.1104 6.1227 6.1227 8.8432 8.8432 k = 0.5000-0.1650-0.3791 ( 11084 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8621 -20.8621 -20.7034 -20.7034 -20.5173 -20.5173 -20.3141 -20.3141 -20.2862 -20.2862 -20.0796 -20.0796 -17.0108 -17.0108 -16.6970 -16.6970 -16.5742 -16.5742 -3.5418 -3.5418 -3.4800 -3.4800 -3.2970 -3.2970 -2.7694 -2.7694 -2.7527 -2.7527 -2.6546 -2.6546 -2.5115 -2.5115 -2.2482 -2.2482 -2.1218 -2.1218 -1.8816 -1.8816 -1.8699 -1.8699 -1.4212 -1.4212 -1.3904 -1.3904 -1.0891 -1.0891 -0.9052 -0.9052 -0.8253 -0.8253 -0.7521 -0.7521 -0.7399 -0.7399 3.5959 3.5959 3.8392 3.8392 3.8801 3.8801 6.0978 6.0978 6.1143 6.1143 8.8544 8.8544 k = 0.5000-0.1546-0.3937 ( 11074 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8541 -20.8541 -20.7035 -20.7035 -20.5110 -20.5110 -20.3172 -20.3172 -20.2961 -20.2961 -20.0844 -20.0844 -17.0090 -17.0090 -16.6952 -16.6952 -16.5728 -16.5728 -3.5707 -3.5707 -3.4973 -3.4973 -3.2977 -3.2977 -2.7603 -2.7603 -2.7495 -2.7495 -2.6613 -2.6613 -2.4920 -2.4920 -2.2501 -2.2501 -2.1040 -2.1040 -1.8571 -1.8571 -1.8484 -1.8484 -1.4354 -1.4354 -1.3922 -1.3922 -1.0955 -1.0955 -0.9129 -0.9129 -0.8327 -0.8327 -0.7543 -0.7543 -0.7384 -0.7384 3.5961 3.5961 3.8435 3.8435 3.8770 3.8770 6.0795 6.0795 6.1112 6.1112 8.8662 8.8662 k = 0.5000-0.1443-0.4082 ( 11092 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8461 -20.8461 -20.7032 -20.7032 -20.5042 -20.5042 -20.3209 -20.3209 -20.3062 -20.3062 -20.0894 -20.0894 -17.0071 -17.0071 -16.6934 -16.6934 -16.5713 -16.5713 -3.5983 -3.5983 -3.5146 -3.5146 -3.2976 -3.2976 -2.7579 -2.7579 -2.7435 -2.7435 -2.6649 -2.6649 -2.4734 -2.4734 -2.2507 -2.2507 -2.0864 -2.0864 -1.8364 -1.8364 -1.8225 -1.8225 -1.4611 -1.4611 -1.3831 -1.3831 -1.1021 -1.1021 -0.9208 -0.9208 -0.8417 -0.8417 -0.7556 -0.7556 -0.7369 -0.7369 3.5961 3.5961 3.8477 3.8477 3.8740 3.8740 6.0602 6.0602 6.1091 6.1091 8.8785 8.8785 k = 0.5000-0.1340-0.4228 ( 11074 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8383 -20.8383 -20.7023 -20.7023 -20.4971 -20.4971 -20.3259 -20.3259 -20.3156 -20.3156 -20.0943 -20.0943 -17.0053 -17.0053 -16.6917 -16.6917 -16.5699 -16.5699 -3.6246 -3.6246 -3.5316 -3.5316 -3.2970 -3.2970 -2.7631 -2.7631 -2.7332 -2.7332 -2.6659 -2.6659 -2.4558 -2.4558 -2.2497 -2.2497 -2.0693 -2.0693 -1.8172 -1.8172 -1.7948 -1.7948 -1.4898 -1.4898 -1.3716 -1.3716 -1.1089 -1.1089 -0.9290 -0.9290 -0.8521 -0.8521 -0.7558 -0.7558 -0.7357 -0.7357 3.5960 3.5960 3.8513 3.8513 3.8715 3.8715 6.0408 6.0408 6.1073 6.1073 8.8912 8.8912 k = 0.5000-0.1237-0.4374 ( 11068 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8310 -20.8310 -20.7006 -20.7006 -20.4896 -20.4896 -20.3336 -20.3336 -20.3230 -20.3230 -20.0994 -20.0994 -17.0035 -17.0035 -16.6899 -16.6899 -16.5685 -16.5685 -3.6494 -3.6494 -3.5482 -3.5482 -3.2959 -3.2959 -2.7716 -2.7716 -2.7222 -2.7222 -2.6653 -2.6653 -2.4394 -2.4394 -2.2472 -2.2472 -2.0528 -2.0528 -1.7985 -1.7985 -1.7666 -1.7666 -1.5196 -1.5196 -1.3593 -1.3593 -1.1157 -1.1157 -0.9374 -0.9374 -0.8636 -0.8636 -0.7553 -0.7553 -0.7345 -0.7345 3.5957 3.5957 3.8536 3.8536 3.8702 3.8702 6.0217 6.0217 6.1059 6.1059 8.9042 8.9043 k = 0.5000-0.1134-0.4520 ( 11070 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8246 -20.8246 -20.6977 -20.6977 -20.4817 -20.4817 -20.3437 -20.3437 -20.3284 -20.3284 -20.1043 -20.1043 -17.0017 -17.0017 -16.6881 -16.6881 -16.5672 -16.5672 -3.6725 -3.6725 -3.5640 -3.5640 -3.2943 -3.2943 -2.7816 -2.7816 -2.7112 -2.7112 -2.6639 -2.6639 -2.4242 -2.4242 -2.2431 -2.2431 -2.0373 -2.0373 -1.7805 -1.7805 -1.7386 -1.7386 -1.5497 -1.5497 -1.3466 -1.3466 -1.1226 -1.1226 -0.9460 -0.9460 -0.8760 -0.8760 -0.7541 -0.7541 -0.7336 -0.7336 3.5953 3.5953 3.8537 3.8537 3.8709 3.8709 6.0031 6.0031 6.1047 6.1047 8.9175 8.9175 k = 0.5000-0.1031-0.4666 ( 11064 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8194 -20.8194 -20.6933 -20.6933 -20.4736 -20.4736 -20.3548 -20.3548 -20.3333 -20.3333 -20.1092 -20.1092 -17.0000 -17.0000 -16.6864 -16.6864 -16.5660 -16.5660 -3.6939 -3.6939 -3.5790 -3.5790 -3.2925 -3.2925 -2.7923 -2.7923 -2.7007 -2.7007 -2.6623 -2.6623 -2.4102 -2.4102 -2.2374 -2.2374 -2.0230 -2.0230 -1.7635 -1.7635 -1.7109 -1.7109 -1.5793 -1.5793 -1.3338 -1.3338 -1.1292 -1.1292 -0.9549 -0.9549 -0.8892 -0.8892 -0.7524 -0.7524 -0.7328 -0.7328 3.5947 3.5947 3.8520 3.8520 3.8733 3.8733 5.9852 5.9852 6.1038 6.1038 8.9310 8.9310 k = 0.5000-0.0928-0.4811 ( 11066 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5408 -32.5408 -32.5043 -32.5043 -20.8158 -20.8158 -20.6873 -20.6873 -20.4652 -20.4652 -20.3663 -20.3663 -20.3382 -20.3382 -20.1140 -20.1140 -16.9984 -16.9984 -16.6848 -16.6848 -16.5649 -16.5649 -3.7134 -3.7134 -3.5929 -3.5929 -3.2904 -3.2904 -2.8032 -2.8032 -2.6909 -2.6909 -2.6608 -2.6608 -2.3974 -2.3974 -2.2302 -2.2302 -2.0100 -2.0100 -1.7484 -1.7484 -1.6841 -1.6841 -1.6068 -1.6068 -1.3211 -1.3211 -1.1356 -1.1356 -0.9639 -0.9639 -0.9030 -0.9030 -0.7503 -0.7503 -0.7321 -0.7321 3.5939 3.5939 3.8492 3.8492 3.8765 3.8765 5.9684 5.9684 6.1032 6.1032 8.9446 8.9446 k = 0.5000-0.0825-0.4957 ( 11066 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5408 -32.5408 -32.5043 -32.5043 -20.8138 -20.8138 -20.6795 -20.6795 -20.4566 -20.4566 -20.3778 -20.3778 -20.3432 -20.3432 -20.1186 -20.1186 -16.9968 -16.9968 -16.6833 -16.6833 -16.5639 -16.5639 -3.7309 -3.7309 -3.6057 -3.6057 -3.2880 -3.2880 -2.8140 -2.8140 -2.6821 -2.6821 -2.6595 -2.6595 -2.3859 -2.3859 -2.2215 -2.2215 -1.9987 -1.9987 -1.7377 -1.7377 -1.6602 -1.6602 -1.6276 -1.6276 -1.3087 -1.3087 -1.1415 -1.1415 -0.9732 -0.9732 -0.9173 -0.9173 -0.7478 -0.7478 -0.7316 -0.7316 3.5930 3.5930 3.8459 3.8459 3.8799 3.8799 5.9527 5.9527 6.1030 6.1030 8.9583 8.9583 k = 0.5000-0.0722-0.5103 ( 11058 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5408 -32.5408 -32.5043 -32.5043 -20.8135 -20.8135 -20.6700 -20.6700 -20.4480 -20.4480 -20.3892 -20.3892 -20.3483 -20.3483 -20.1231 -20.1231 -16.9954 -16.9954 -16.6818 -16.6818 -16.5631 -16.5631 -3.7465 -3.7465 -3.6172 -3.6172 -3.2855 -3.2855 -2.8245 -2.8245 -2.6745 -2.6745 -2.6585 -2.6585 -2.3756 -2.3756 -2.2117 -2.2117 -1.9890 -1.9890 -1.7365 -1.7365 -1.6522 -1.6522 -1.6234 -1.6234 -1.2970 -1.2970 -1.1467 -1.1467 -0.9826 -0.9826 -0.9319 -0.9319 -0.7452 -0.7452 -0.7311 -0.7311 3.5919 3.5919 3.8425 3.8425 3.8832 3.8832 5.9385 5.9385 6.1033 6.1033 8.9721 8.9721 k = 0.5000-0.0619-0.5249 ( 11060 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8148 -20.8148 -20.6588 -20.6588 -20.4394 -20.4394 -20.4005 -20.4005 -20.3535 -20.3535 -20.1273 -20.1273 -16.9941 -16.9941 -16.6805 -16.6805 -16.5625 -16.5625 -3.7600 -3.7600 -3.6274 -3.6274 -3.2828 -3.2828 -2.8345 -2.8345 -2.6684 -2.6684 -2.6574 -2.6574 -2.3667 -2.3667 -2.2010 -2.2010 -1.9814 -1.9814 -1.7483 -1.7483 -1.6494 -1.6494 -1.6010 -1.6010 -1.2863 -1.2863 -1.1508 -1.1508 -0.9922 -0.9922 -0.9467 -0.9467 -0.7424 -0.7424 -0.7305 -0.7305 3.5908 3.5908 3.8391 3.8391 3.8863 3.8863 5.9258 5.9258 6.1039 6.1039 8.9859 8.9859 k = 0.5000-0.0515-0.5395 ( 11060 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8177 -20.8177 -20.6462 -20.6462 -20.4312 -20.4312 -20.4115 -20.4115 -20.3585 -20.3585 -20.1312 -20.1312 -16.9930 -16.9930 -16.6792 -16.6792 -16.5620 -16.5620 -3.7713 -3.7713 -3.6361 -3.6361 -3.2799 -3.2799 -2.8440 -2.8440 -2.6646 -2.6646 -2.6557 -2.6557 -2.3593 -2.3593 -2.1899 -2.1899 -1.9759 -1.9759 -1.7684 -1.7684 -1.6390 -1.6390 -1.5772 -1.5772 -1.2771 -1.2771 -1.1533 -1.1533 -1.0020 -1.0020 -0.9616 -0.9616 -0.7398 -0.7398 -0.7296 -0.7296 3.5895 3.5895 3.8357 3.8357 3.8890 3.8890 5.9149 5.9149 6.1050 6.1050 8.9998 8.9998 k = 0.5000-0.0412-0.5541 ( 11060 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8218 -20.8218 -20.6325 -20.6325 -20.4246 -20.4246 -20.4211 -20.4211 -20.3630 -20.3630 -20.1349 -20.1349 -16.9920 -16.9920 -16.6781 -16.6781 -16.5618 -16.5618 -3.7804 -3.7804 -3.6434 -3.6434 -3.2770 -3.2770 -2.8528 -2.8528 -2.6633 -2.6633 -2.6529 -2.6529 -2.3534 -2.3534 -2.1792 -2.1792 -1.9726 -1.9726 -1.7906 -1.7906 -1.6248 -1.6248 -1.5540 -1.5540 -1.2700 -1.2700 -1.1538 -1.1538 -1.0120 -1.0120 -0.9766 -0.9766 -0.7380 -0.7380 -0.7279 -0.7279 3.5881 3.5881 3.8324 3.8324 3.8912 3.8912 5.9058 5.9058 6.1066 6.1066 9.0136 9.0136 k = 0.5000-0.0309-0.5686 ( 11054 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8271 -20.8271 -20.6177 -20.6177 -20.4328 -20.4328 -20.4169 -20.4169 -20.3662 -20.3662 -20.1382 -20.1382 -16.9911 -16.9911 -16.6772 -16.6772 -16.5618 -16.5618 -3.7873 -3.7873 -3.6491 -3.6491 -3.2739 -3.2739 -2.8609 -2.8609 -2.6637 -2.6637 -2.6500 -2.6500 -2.3491 -2.3491 -2.1699 -2.1699 -1.9718 -1.9718 -1.8114 -1.8114 -1.6088 -1.6088 -1.5317 -1.5317 -1.2655 -1.2655 -1.1518 -1.1518 -1.0221 -1.0221 -0.9915 -0.9915 -0.7372 -0.7372 -0.7250 -0.7250 3.5866 3.5866 3.8292 3.8292 3.8931 3.8931 5.8988 5.8988 6.1086 6.1086 9.0272 9.0272 k = 0.5000-0.0206-0.5832 ( 11062 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8334 -20.8334 -20.6023 -20.6023 -20.4425 -20.4425 -20.4132 -20.4132 -20.3671 -20.3671 -20.1413 -20.1413 -16.9905 -16.9905 -16.6763 -16.6763 -16.5621 -16.5621 -3.7920 -3.7920 -3.6532 -3.6532 -3.2708 -3.2708 -2.8684 -2.8684 -2.6648 -2.6648 -2.6477 -2.6477 -2.3466 -2.3466 -2.1632 -2.1632 -1.9733 -1.9733 -1.8283 -1.8283 -1.5922 -1.5922 -1.5105 -1.5105 -1.2640 -1.2640 -1.1470 -1.1470 -1.0325 -1.0325 -1.0062 -1.0062 -0.7372 -0.7372 -0.7211 -0.7211 3.5851 3.5851 3.8262 3.8262 3.8944 3.8944 5.8938 5.8938 6.1111 6.1111 9.0298 9.0298 k = 0.5000-0.0103-0.5978 ( 11076 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8405 -20.8405 -20.5863 -20.5863 -20.4517 -20.4517 -20.4129 -20.4129 -20.3647 -20.3647 -20.1441 -20.1441 -16.9900 -16.9900 -16.6757 -16.6757 -16.5626 -16.5626 -3.7943 -3.7943 -3.6558 -3.6558 -3.2677 -3.2677 -2.8752 -2.8752 -2.6666 -2.6666 -2.6461 -2.6461 -2.3459 -2.3459 -2.1605 -2.1605 -1.9774 -1.9774 -1.8397 -1.8397 -1.5754 -1.5754 -1.4904 -1.4904 -1.2655 -1.2655 -1.1397 -1.1397 -1.0430 -1.0430 -1.0206 -1.0206 -0.7378 -0.7378 -0.7165 -0.7165 3.5834 3.5834 3.8234 3.8234 3.8952 3.8952 5.8909 5.8909 6.1141 6.1141 9.0032 9.0032 k = 0.5000 0.0000-0.6124 ( 11096 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8484 -20.8484 -20.5699 -20.5699 -20.4602 -20.4602 -20.4158 -20.4158 -20.3593 -20.3593 -20.1466 -20.1466 -16.9896 -16.9896 -16.6751 -16.6751 -16.5634 -16.5634 -3.7944 -3.7944 -3.6567 -3.6567 -3.2645 -3.2645 -2.8811 -2.8811 -2.6687 -2.6687 -2.6452 -2.6452 -2.3470 -2.3470 -2.1631 -2.1631 -1.9838 -1.9838 -1.8442 -1.8442 -1.5584 -1.5584 -1.4716 -1.4716 -1.2695 -1.2695 -1.1306 -1.1306 -1.0536 -1.0536 -1.0342 -1.0342 -0.7388 -0.7388 -0.7114 -0.7114 3.5817 3.5817 3.8207 3.8207 3.8956 3.8956 5.8902 5.8902 6.1176 6.1176 8.9728 8.9728 k = 0.7500 0.1443-0.2041 ( 11096 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8484 -20.8484 -20.5699 -20.5699 -20.4602 -20.4602 -20.4158 -20.4158 -20.3593 -20.3593 -20.1466 -20.1466 -16.9896 -16.9896 -16.6751 -16.6751 -16.5634 -16.5634 -3.7944 -3.7944 -3.6567 -3.6567 -3.2645 -3.2645 -2.8811 -2.8811 -2.6687 -2.6687 -2.6452 -2.6452 -2.3470 -2.3470 -2.1631 -2.1631 -1.9838 -1.9838 -1.8442 -1.8442 -1.5584 -1.5584 -1.4716 -1.4716 -1.2695 -1.2695 -1.1306 -1.1306 -1.0536 -1.0536 -1.0342 -1.0342 -0.7388 -0.7388 -0.7114 -0.7114 3.5817 3.5817 3.8207 3.8207 3.8956 3.8956 5.8902 5.8902 6.1176 6.1176 8.9728 8.9729 k = 0.7411 0.1495-0.1895 ( 11076 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8569 -20.8569 -20.5536 -20.5536 -20.4679 -20.4679 -20.4207 -20.4207 -20.3518 -20.3518 -20.1487 -20.1487 -16.9895 -16.9895 -16.6748 -16.6748 -16.5644 -16.5644 -3.7921 -3.7921 -3.6559 -3.6559 -3.2613 -3.2613 -2.8864 -2.8864 -2.6713 -2.6713 -2.6451 -2.6451 -2.3498 -2.3498 -2.1714 -2.1714 -1.9925 -1.9925 -1.8413 -1.8413 -1.5416 -1.5416 -1.4541 -1.4541 -1.2755 -1.2755 -1.1209 -1.1209 -1.0643 -1.0643 -1.0465 -1.0465 -0.7402 -0.7402 -0.7059 -0.7059 3.5800 3.5800 3.8183 3.8183 3.8954 3.8954 5.8917 5.8917 6.1216 6.1216 8.9399 8.9399 k = 0.7321 0.1546-0.1750 ( 11062 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8659 -20.8659 -20.5377 -20.5377 -20.4742 -20.4742 -20.4270 -20.4270 -20.3433 -20.3433 -20.1505 -20.1505 -16.9895 -16.9895 -16.6745 -16.6745 -16.5656 -16.5656 -3.7876 -3.7876 -3.6535 -3.6535 -3.2580 -3.2580 -2.8909 -2.8909 -2.6742 -2.6742 -2.6457 -2.6457 -2.3545 -2.3545 -2.1849 -2.1849 -2.0037 -2.0037 -1.8315 -1.8315 -1.5248 -1.5248 -1.4381 -1.4381 -1.2829 -1.2829 -1.1127 -1.1127 -1.0749 -1.0749 -1.0558 -1.0558 -0.7417 -0.7417 -0.7000 -0.7000 3.5781 3.5781 3.8160 3.8160 3.8947 3.8947 5.8953 5.8953 6.1260 6.1260 8.9049 8.9049 k = 0.7232 0.1598-0.1604 ( 11054 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8754 -20.8754 -20.5236 -20.5236 -20.4782 -20.4782 -20.4339 -20.4339 -20.3342 -20.3342 -20.1521 -20.1521 -16.9897 -16.9897 -16.6744 -16.6744 -16.5671 -16.5671 -3.7807 -3.7807 -3.6494 -3.6494 -3.2548 -3.2548 -2.8946 -2.8946 -2.6774 -2.6774 -2.6470 -2.6470 -2.3608 -2.3608 -2.2027 -2.2027 -2.0172 -2.0172 -1.8157 -1.8157 -1.5083 -1.5083 -1.4239 -1.4239 -1.2913 -1.2913 -1.1099 -1.1099 -1.0854 -1.0854 -1.0587 -1.0587 -0.7436 -0.7436 -0.6937 -0.6937 3.5762 3.5762 3.8140 3.8140 3.8934 3.8934 5.9012 5.9012 6.1309 6.1309 8.8685 8.8685 k = 0.7143 0.1650-0.1458 ( 11060 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8853 -20.8853 -20.5142 -20.5142 -20.4768 -20.4768 -20.4412 -20.4412 -20.3249 -20.3249 -20.1533 -20.1533 -16.9901 -16.9901 -16.6745 -16.6745 -16.5689 -16.5689 -3.7716 -3.7716 -3.6437 -3.6437 -3.2516 -3.2516 -2.8976 -2.8976 -2.6808 -2.6808 -2.6489 -2.6489 -2.3688 -2.3688 -2.2234 -2.2234 -2.0330 -2.0330 -1.7953 -1.7953 -1.4920 -1.4920 -1.4121 -1.4121 -1.2998 -1.2998 -1.1147 -1.1147 -1.0960 -1.0960 -1.0530 -1.0530 -0.7456 -0.7456 -0.6872 -0.6872 3.5743 3.5743 3.8122 3.8122 3.8917 3.8917 5.9091 5.9091 6.1362 6.1362 8.8311 8.8312 k = 0.7054 0.1701-0.1312 ( 11060 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5408 -32.5408 -32.5043 -32.5043 -20.8954 -20.8954 -20.5120 -20.5120 -20.4679 -20.4679 -20.4487 -20.4487 -20.3155 -20.3155 -20.1542 -20.1542 -16.9907 -16.9907 -16.6746 -16.6746 -16.5708 -16.5708 -3.7603 -3.7603 -3.6364 -3.6364 -3.2485 -3.2485 -2.8998 -2.8998 -2.6846 -2.6846 -2.6515 -2.6515 -2.3784 -2.3784 -2.2459 -2.2459 -2.0510 -2.0510 -1.7715 -1.7715 -1.4760 -1.4760 -1.4035 -1.4035 -1.3072 -1.3072 -1.1239 -1.1239 -1.1070 -1.1070 -1.0416 -1.0416 -0.7479 -0.7479 -0.6804 -0.6804 3.5723 3.5723 3.8107 3.8107 3.8896 3.8896 5.9190 5.9190 6.1418 6.1418 8.7933 8.7933 k = 0.6964 0.1753-0.1166 ( 11060 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5043 -32.5043 -20.9057 -20.9057 -20.5144 -20.5144 -20.4582 -20.4582 -20.4519 -20.4519 -20.3062 -20.3062 -20.1548 -20.1548 -16.9914 -16.9914 -16.6749 -16.6749 -16.5730 -16.5730 -3.7467 -3.7467 -3.6275 -3.6275 -3.2454 -3.2454 -2.9012 -2.9012 -2.6886 -2.6886 -2.6547 -2.6547 -2.3896 -2.3896 -2.2693 -2.2693 -2.0711 -2.0711 -1.7452 -1.7452 -1.4605 -1.4605 -1.3997 -1.3997 -1.3120 -1.3120 -1.1348 -1.1348 -1.1181 -1.1181 -1.0277 -1.0277 -0.7503 -0.7503 -0.6734 -0.6734 3.5703 3.5703 3.8093 3.8093 3.8869 3.8869 5.9308 5.9308 6.1479 6.1479 8.7553 8.7553 k = 0.6875 0.1804-0.1021 ( 11058 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5043 -32.5043 -20.9162 -20.9162 -20.5183 -20.5183 -20.4647 -20.4647 -20.4372 -20.4372 -20.2971 -20.2971 -20.1550 -20.1550 -16.9922 -16.9922 -16.6754 -16.6754 -16.5753 -16.5753 -3.7309 -3.7309 -3.6170 -3.6170 -3.2423 -3.2423 -2.9020 -2.9020 -2.6929 -2.6929 -2.6586 -2.6586 -2.4024 -2.4024 -2.2928 -2.2928 -2.0933 -2.0933 -1.7172 -1.7172 -1.4458 -1.4458 -1.4014 -1.4014 -1.3127 -1.3127 -1.1462 -1.1462 -1.1292 -1.1292 -1.0127 -1.0127 -0.7530 -0.7530 -0.6662 -0.6662 3.5682 3.5682 3.8082 3.8082 3.8839 3.8839 5.9443 5.9443 6.1542 6.1542 8.7176 8.7176 k = 0.6786 0.1856-0.0875 ( 11066 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5043 -32.5043 -20.9267 -20.9267 -20.5226 -20.5226 -20.4723 -20.4723 -20.4208 -20.4208 -20.2883 -20.2883 -20.1549 -20.1549 -16.9932 -16.9932 -16.6759 -16.6759 -16.5779 -16.5779 -3.7130 -3.7130 -3.6050 -3.6050 -3.2393 -3.2393 -2.9020 -2.9020 -2.6973 -2.6973 -2.6632 -2.6632 -2.4167 -2.4167 -2.3158 -2.3158 -2.1173 -2.1173 -1.6882 -1.6882 -1.4337 -1.4337 -1.4066 -1.4066 -1.3095 -1.3095 -1.1573 -1.1573 -1.1403 -1.1403 -0.9973 -0.9973 -0.7558 -0.7558 -0.6589 -0.6589 3.5662 3.5662 3.8073 3.8073 3.8805 3.8805 5.9595 5.9595 6.1608 6.1608 8.6803 8.6803 k = 0.6696 0.1907-0.0729 ( 11066 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.9371 -20.9371 -20.5268 -20.5268 -20.4798 -20.4798 -20.4042 -20.4042 -20.2798 -20.2798 -20.1544 -20.1544 -16.9944 -16.9944 -16.6765 -16.6765 -16.5805 -16.5805 -3.6931 -3.6931 -3.5916 -3.5916 -3.2363 -3.2363 -2.9013 -2.9013 -2.7021 -2.7021 -2.6684 -2.6684 -2.4326 -2.4326 -2.3379 -2.3379 -2.1431 -2.1431 -1.6586 -1.6586 -1.4330 -1.4330 -1.4051 -1.4051 -1.3036 -1.3036 -1.1681 -1.1681 -1.1512 -1.1512 -0.9818 -0.9818 -0.7588 -0.7588 -0.6516 -0.6516 3.5640 3.5640 3.8066 3.8066 3.8767 3.8767 5.9761 5.9761 6.1677 6.1677 8.6438 8.6438 k = 0.6607 0.1959-0.0583 ( 11064 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.9474 -20.9474 -20.5309 -20.5309 -20.4871 -20.4871 -20.3878 -20.3878 -20.2718 -20.2718 -20.1536 -20.1536 -16.9956 -16.9956 -16.6772 -16.6772 -16.5833 -16.5833 -3.6711 -3.6711 -3.5767 -3.5767 -3.2334 -3.2334 -2.8999 -2.8999 -2.7070 -2.7070 -2.6744 -2.6744 -2.4501 -2.4501 -2.3585 -2.3585 -2.1706 -2.1706 -1.6289 -1.6289 -1.4455 -1.4455 -1.3937 -1.3937 -1.2965 -1.2965 -1.1784 -1.1784 -1.1619 -1.1619 -0.9665 -0.9665 -0.7619 -0.7619 -0.6441 -0.6441 3.5619 3.5619 3.8060 3.8060 3.8727 3.8727 5.9939 5.9939 6.1747 6.1747 8.6082 8.6082 k = 0.6518 0.2010-0.0437 ( 11070 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.9575 -20.9575 -20.5347 -20.5347 -20.4943 -20.4943 -20.3717 -20.3717 -20.2643 -20.2643 -20.1524 -20.1524 -16.9970 -16.9970 -16.6780 -16.6780 -16.5861 -16.5861 -3.6472 -3.6472 -3.5605 -3.5605 -3.2306 -3.2306 -2.8979 -2.8979 -2.7122 -2.7122 -2.6811 -2.6811 -2.4693 -2.4693 -2.3773 -2.3773 -2.1996 -2.1996 -1.5995 -1.5995 -1.4623 -1.4623 -1.3801 -1.3801 -1.2891 -1.2891 -1.1880 -1.1880 -1.1722 -1.1722 -0.9515 -0.9515 -0.7652 -0.7652 -0.6367 -0.6367 3.5597 3.5597 3.8056 3.8056 3.8684 3.8684 6.0128 6.0128 6.1818 6.1818 8.5737 8.5737 k = 0.6429 0.2062-0.0292 ( 11068 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.9674 -20.9674 -20.5382 -20.5382 -20.5012 -20.5012 -20.3560 -20.3560 -20.2573 -20.2573 -20.1509 -20.1509 -16.9984 -16.9984 -16.6789 -16.6789 -16.5890 -16.5890 -3.6215 -3.6215 -3.5431 -3.5431 -3.2278 -3.2278 -2.8952 -2.8952 -2.7176 -2.7176 -2.6885 -2.6885 -2.4901 -2.4901 -2.3941 -2.3941 -2.2301 -2.2301 -1.5708 -1.5708 -1.4807 -1.4807 -1.3662 -1.3662 -1.2820 -1.2820 -1.1969 -1.1969 -1.1820 -1.1820 -0.9370 -0.9370 -0.7686 -0.7686 -0.6293 -0.6293 3.5575 3.5575 3.8054 3.8054 3.8639 3.8639 6.0325 6.0325 6.1890 6.1890 8.5405 8.5405 k = 0.6339 0.2114-0.0146 ( 11074 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.9770 -20.9770 -20.5415 -20.5415 -20.5078 -20.5078 -20.3408 -20.3408 -20.2510 -20.2510 -20.1490 -20.1490 -16.9999 -16.9999 -16.6797 -16.6797 -16.5919 -16.5919 -3.5941 -3.5941 -3.5245 -3.5245 -3.2251 -3.2251 -2.8919 -2.8919 -2.7232 -2.7232 -2.6964 -2.6964 -2.5125 -2.5125 -2.4089 -2.4089 -2.2620 -2.2620 -1.5437 -1.5437 -1.4992 -1.4992 -1.3524 -1.3524 -1.2757 -1.2757 -1.2051 -1.2051 -1.1908 -1.1908 -0.9230 -0.9230 -0.7721 -0.7721 -0.6221 -0.6221 3.5553 3.5553 3.8053 3.8053 3.8593 3.8593 6.0528 6.0528 6.1962 6.1962 8.5087 8.5087 k = 0.6250 0.2165 0.0000 ( 11092 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.9862 -20.9862 -20.5446 -20.5446 -20.5141 -20.5141 -20.3263 -20.3263 -20.2452 -20.2452 -20.1467 -20.1467 -17.0015 -17.0015 -16.6807 -16.6807 -16.5948 -16.5948 -3.5651 -3.5651 -3.5049 -3.5049 -3.2224 -3.2224 -2.8881 -2.8881 -2.7291 -2.7291 -2.7048 -2.7048 -2.5361 -2.5361 -2.4217 -2.4217 -2.2950 -2.2950 -1.5283 -1.5283 -1.5075 -1.5075 -1.3389 -1.3389 -1.2708 -1.2708 -1.2128 -1.2128 -1.1982 -1.1982 -0.9096 -0.9096 -0.7756 -0.7756 -0.6150 -0.6150 3.5531 3.5531 3.8053 3.8053 3.8547 3.8547 6.0734 6.0734 6.2034 6.2034 8.4784 8.4784 k = 0.6161 0.2217 0.0146 ( 11074 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.9950 -20.9950 -20.5474 -20.5474 -20.5201 -20.5201 -20.3124 -20.3124 -20.2401 -20.2401 -20.1441 -20.1441 -17.0030 -17.0030 -16.6816 -16.6816 -16.5976 -16.5976 -3.5346 -3.5346 -3.4844 -3.4844 -3.2197 -3.2197 -2.8837 -2.8837 -2.7353 -2.7353 -2.7135 -2.7135 -2.5608 -2.5608 -2.4328 -2.4328 -2.3292 -2.3292 -1.5433 -1.5433 -1.4868 -1.4868 -1.3258 -1.3258 -1.2674 -1.2674 -1.2201 -1.2201 -1.2033 -1.2033 -0.8970 -0.8970 -0.7792 -0.7792 -0.6080 -0.6080 3.5509 3.5509 3.8054 3.8054 3.8501 3.8501 6.0941 6.0941 6.2104 6.2104 8.4498 8.4498 k = 0.6071 0.2268 0.0292 ( 11084 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -21.0034 -21.0034 -20.5500 -20.5500 -20.5256 -20.5256 -20.2993 -20.2993 -20.2355 -20.2355 -20.1413 -20.1413 -17.0046 -17.0046 -16.6826 -16.6826 -16.6004 -16.6004 -3.5029 -3.5029 -3.4632 -3.4632 -3.2169 -3.2169 -2.8788 -2.8788 -2.7417 -2.7417 -2.7224 -2.7224 -2.5863 -2.5863 -2.4422 -2.4422 -2.3642 -2.3642 -1.5623 -1.5623 -1.4633 -1.4633 -1.3134 -1.3134 -1.2659 -1.2659 -1.2274 -1.2274 -1.2057 -1.2057 -0.8851 -0.8851 -0.7827 -0.7827 -0.6014 -0.6014 3.5488 3.5488 3.8055 3.8055 3.8456 3.8456 6.1147 6.1147 6.2172 6.2172 8.4229 8.4229 k = 0.5982 0.2320 0.0437 ( 11084 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -21.0112 -21.0112 -20.5524 -20.5524 -20.5308 -20.5308 -20.2870 -20.2870 -20.2316 -20.2316 -20.1383 -20.1383 -17.0061 -17.0061 -16.6835 -16.6835 -16.6031 -16.6031 -3.4702 -3.4702 -3.4413 -3.4413 -3.2141 -3.2141 -2.8734 -2.8734 -2.7484 -2.7484 -2.7313 -2.7313 -2.6124 -2.6124 -2.4502 -2.4502 -2.4001 -2.4001 -1.5811 -1.5811 -1.4411 -1.4411 -1.3023 -1.3023 -1.2658 -1.2658 -1.2342 -1.2342 -1.2056 -1.2056 -0.8742 -0.8742 -0.7863 -0.7863 -0.5951 -0.5951 3.5467 3.5467 3.8057 3.8057 3.8412 3.8412 6.1348 6.1348 6.2237 6.2237 8.3979 8.3979 k = 0.5893 0.2371 0.0583 ( 11078 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0185 -21.0185 -20.5547 -20.5547 -20.5354 -20.5354 -20.2757 -20.2757 -20.2281 -20.2281 -20.1352 -20.1352 -17.0076 -17.0076 -16.6845 -16.6845 -16.6056 -16.6056 -3.4370 -3.4370 -3.4188 -3.4188 -3.2111 -3.2111 -2.8675 -2.8675 -2.7554 -2.7554 -2.7400 -2.7400 -2.6388 -2.6388 -2.4570 -2.4570 -2.4363 -2.4363 -1.5993 -1.5993 -1.4207 -1.4207 -1.2932 -1.2932 -1.2661 -1.2661 -1.2400 -1.2400 -1.2037 -1.2037 -0.8641 -0.8641 -0.7897 -0.7897 -0.5891 -0.5891 3.5447 3.5447 3.8058 3.8058 3.8370 3.8370 6.1543 6.1543 6.2300 6.2300 8.3747 8.3747 k = 0.5804 0.2423 0.0729 ( 11084 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0251 -21.0251 -20.5568 -20.5568 -20.5396 -20.5396 -20.2653 -20.2653 -20.2251 -20.2251 -20.1321 -20.1321 -17.0091 -17.0091 -16.6854 -16.6854 -16.6080 -16.6080 -3.4052 -3.4052 -3.3943 -3.3943 -3.2079 -3.2079 -2.8613 -2.8613 -2.7627 -2.7627 -2.7484 -2.7484 -2.6652 -2.6652 -2.4736 -2.4736 -2.4620 -2.4620 -1.6164 -1.6164 -1.4023 -1.4023 -1.2879 -1.2879 -1.2660 -1.2660 -1.2433 -1.2433 -1.2007 -1.2007 -0.8549 -0.8549 -0.7929 -0.7929 -0.5835 -0.5835 3.5428 3.5428 3.8059 3.8059 3.8331 3.8331 6.1727 6.1727 6.2358 6.2358 8.3535 8.3535 k = 0.5714 0.2474 0.0875 ( 11090 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0312 -21.0312 -20.5587 -20.5587 -20.5433 -20.5433 -20.2560 -20.2560 -20.2225 -20.2225 -20.1291 -20.1291 -17.0104 -17.0104 -16.6862 -16.6862 -16.6102 -16.6102 -3.3796 -3.3796 -3.3638 -3.3638 -3.2043 -3.2043 -2.8547 -2.8547 -2.7702 -2.7702 -2.7564 -2.7564 -2.6914 -2.6914 -2.5100 -2.5100 -2.4669 -2.4669 -1.6323 -1.6323 -1.3861 -1.3861 -1.2867 -1.2867 -1.2667 -1.2667 -1.2422 -1.2422 -1.1970 -1.1970 -0.8468 -0.8468 -0.7959 -0.7959 -0.5783 -0.5783 3.5410 3.5410 3.8060 3.8060 3.8296 3.8296 6.1900 6.1900 6.2413 6.2413 8.3343 8.3343 k = 0.5625 0.2526 0.1021 ( 11090 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0366 -21.0366 -20.5606 -20.5606 -20.5464 -20.5464 -20.2479 -20.2479 -20.2201 -20.2201 -20.1262 -20.1262 -17.0117 -17.0117 -16.6870 -16.6870 -16.6122 -16.6122 -3.3582 -3.3582 -3.3301 -3.3301 -3.2002 -3.2002 -2.8478 -2.8478 -2.7778 -2.7778 -2.7639 -2.7639 -2.7170 -2.7170 -2.5461 -2.5461 -2.4707 -2.4707 -1.6467 -1.6467 -1.3719 -1.3719 -1.2880 -1.2880 -1.2692 -1.2692 -1.2369 -1.2369 -1.1931 -1.1931 -0.8398 -0.8398 -0.7985 -0.7985 -0.5737 -0.5737 3.5393 3.5393 3.8059 3.8059 3.8266 3.8266 6.2059 6.2059 6.2462 6.2462 8.3172 8.3172 k = 0.5536 0.2577 0.1166 ( 11092 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0414 -21.0414 -20.5623 -20.5623 -20.5491 -20.5491 -20.2410 -20.2410 -20.2179 -20.2179 -20.1235 -20.1235 -17.0128 -17.0128 -16.6877 -16.6877 -16.6139 -16.6139 -3.3391 -3.3391 -3.2965 -3.2965 -3.1953 -3.1953 -2.8408 -2.8408 -2.7856 -2.7856 -2.7708 -2.7708 -2.7414 -2.7414 -2.5813 -2.5813 -2.4738 -2.4738 -1.6596 -1.6596 -1.3600 -1.3600 -1.2903 -1.2903 -1.2726 -1.2726 -1.2301 -1.2301 -1.1891 -1.1891 -0.8340 -0.8340 -0.8007 -0.8007 -0.5696 -0.5696 3.5378 3.5378 3.8057 3.8057 3.8240 3.8240 6.2201 6.2201 6.2507 6.2507 8.3023 8.3023 k = 0.5446 0.2629 0.1312 ( 11094 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0454 -21.0454 -20.5638 -20.5638 -20.5512 -20.5512 -20.2354 -20.2354 -20.2158 -20.2158 -20.1212 -20.1212 -17.0138 -17.0138 -16.6884 -16.6884 -16.6154 -16.6154 -3.3222 -3.3222 -3.2641 -3.2641 -3.1897 -3.1897 -2.8338 -2.8338 -2.7934 -2.7934 -2.7771 -2.7771 -2.7640 -2.7640 -2.6147 -2.6147 -2.4763 -2.4763 -1.6707 -1.6707 -1.3501 -1.3501 -1.2927 -1.2927 -1.2759 -1.2759 -1.2234 -1.2234 -1.1852 -1.1852 -0.8295 -0.8295 -0.8023 -0.8023 -0.5660 -0.5660 3.5365 3.5365 3.8053 3.8053 3.8220 3.8220 6.2324 6.2324 6.2547 6.2547 8.2896 8.2896 k = 0.5357 0.2681 0.1458 ( 11090 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0488 -21.0488 -20.5652 -20.5652 -20.5529 -20.5529 -20.2311 -20.2311 -20.2138 -20.2138 -20.1192 -20.1192 -17.0146 -17.0146 -16.6889 -16.6889 -16.6167 -16.6167 -3.3081 -3.3081 -3.2342 -3.2342 -3.1834 -3.1834 -2.8274 -2.8274 -2.8009 -2.8009 -2.7870 -2.7870 -2.7793 -2.7793 -2.6456 -2.6456 -2.4782 -2.4782 -1.6799 -1.6799 -1.3422 -1.3422 -1.2949 -1.2949 -1.2787 -1.2787 -1.2176 -1.2176 -1.1815 -1.1815 -0.8262 -0.8262 -0.8032 -0.8032 -0.5631 -0.5631 3.5354 3.5354 3.8048 3.8048 3.8205 3.8205 6.2425 6.2425 6.2582 6.2582 8.2791 8.2791 k = 0.5268 0.2732 0.1604 ( 11086 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0514 -21.0514 -20.5663 -20.5663 -20.5541 -20.5541 -20.2280 -20.2280 -20.2120 -20.2120 -20.1176 -20.1176 -17.0153 -17.0153 -16.6893 -16.6893 -16.6177 -16.6177 -3.2972 -3.2972 -3.2083 -3.2083 -3.1765 -3.1765 -2.8235 -2.8235 -2.8074 -2.8074 -2.8022 -2.8022 -2.7833 -2.7833 -2.6728 -2.6728 -2.4796 -2.4796 -1.6872 -1.6872 -1.3362 -1.3362 -1.2968 -1.2968 -1.2808 -1.2808 -1.2131 -1.2131 -1.1783 -1.1783 -0.8242 -0.8242 -0.8034 -0.8034 -0.5607 -0.5607 3.5345 3.5345 3.8043 3.8043 3.8194 3.8194 6.2502 6.2502 6.2612 6.2612 8.2709 8.2709 k = 0.5179 0.2784 0.1750 ( 11080 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0533 -21.0533 -20.5671 -20.5671 -20.5549 -20.5549 -20.2261 -20.2261 -20.2104 -20.2104 -20.1164 -20.1164 -17.0157 -17.0157 -16.6896 -16.6896 -16.6184 -16.6184 -3.2895 -3.2895 -3.1887 -3.1887 -3.1694 -3.1694 -2.8247 -2.8247 -2.8181 -2.8181 -2.8055 -2.8055 -2.7843 -2.7843 -2.6949 -2.6949 -2.4805 -2.4805 -1.6924 -1.6924 -1.3321 -1.3321 -1.2982 -1.2982 -1.2823 -1.2823 -1.2098 -1.2098 -1.1758 -1.1758 -0.8231 -0.8231 -0.8033 -0.8033 -0.5591 -0.5591 3.5339 3.5339 3.8038 3.8038 3.8187 3.8187 6.2553 6.2553 6.2639 6.2639 8.2651 8.2651 k = 0.5089 0.2835 0.1895 ( 11076 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0544 -21.0544 -20.5676 -20.5676 -20.5554 -20.5554 -20.2250 -20.2250 -20.2094 -20.2094 -20.1157 -20.1157 -17.0160 -17.0160 -16.6898 -16.6898 -16.6188 -16.6188 -3.2849 -3.2849 -3.1776 -3.1776 -3.1628 -3.1628 -2.8280 -2.8280 -2.8265 -2.8265 -2.8043 -2.8043 -2.7832 -2.7832 -2.7100 -2.7100 -2.4811 -2.4811 -1.6956 -1.6956 -1.3297 -1.3297 -1.2991 -1.2991 -1.2832 -1.2832 -1.2079 -1.2079 -1.1742 -1.1742 -0.8227 -0.8227 -0.8030 -0.8030 -0.5580 -0.5580 3.5335 3.5335 3.8035 3.8035 3.8184 3.8184 6.2580 6.2580 6.2660 6.2660 8.2615 8.2615 k = 0.5000 0.2887 0.2041 ( 11054 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0548 -21.0548 -20.5678 -20.5678 -20.5556 -20.5556 -20.2246 -20.2246 -20.2091 -20.2091 -20.1154 -20.1154 -17.0161 -17.0161 -16.6899 -16.6899 -16.6190 -16.6190 -3.2834 -3.2834 -3.1743 -3.1743 -3.1598 -3.1598 -2.8298 -2.8298 -2.8291 -2.8291 -2.8038 -2.8038 -2.7823 -2.7823 -2.7156 -2.7156 -2.4813 -2.4813 -1.6967 -1.6967 -1.3289 -1.3289 -1.2994 -1.2994 -1.2834 -1.2834 -1.2073 -1.2073 -1.1736 -1.1736 -0.8226 -0.8226 -0.8029 -0.8029 -0.5577 -0.5577 3.5333 3.5333 3.8034 3.8034 3.8182 3.8182 6.2588 6.2588 6.2667 6.2667 8.2604 8.2604 k = 0.5000 0.2887 0.2041 ( 11054 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0548 -21.0548 -20.5678 -20.5678 -20.5556 -20.5556 -20.2246 -20.2246 -20.2091 -20.2091 -20.1154 -20.1154 -17.0161 -17.0161 -16.6899 -16.6899 -16.6190 -16.6190 -3.2834 -3.2834 -3.1743 -3.1743 -3.1598 -3.1598 -2.8298 -2.8298 -2.8291 -2.8291 -2.8038 -2.8038 -2.7823 -2.7823 -2.7156 -2.7156 -2.4813 -2.4813 -1.6967 -1.6967 -1.3289 -1.3289 -1.2994 -1.2994 -1.2834 -1.2834 -1.2073 -1.2073 -1.1736 -1.1736 -0.8226 -0.8226 -0.8029 -0.8029 -0.5577 -0.5577 3.5333 3.5333 3.8034 3.8034 3.8182 3.8182 6.2588 6.2588 6.2667 6.2667 8.2604 8.2604 k = 0.4853 0.2802 0.1981 ( 11075 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0544 -21.0544 -20.5676 -20.5676 -20.5554 -20.5554 -20.2248 -20.2248 -20.2093 -20.2093 -20.1160 -20.1160 -17.0160 -17.0160 -16.6898 -16.6898 -16.6188 -16.6188 -3.2855 -3.2855 -3.1761 -3.1761 -3.1616 -3.1616 -2.8288 -2.8288 -2.8279 -2.8279 -2.8034 -2.8034 -2.7823 -2.7823 -2.7142 -2.7142 -2.4819 -2.4819 -1.6949 -1.6949 -1.3290 -1.3290 -1.2986 -1.2986 -1.2827 -1.2827 -1.2075 -1.2075 -1.1738 -1.1738 -0.8221 -0.8221 -0.8025 -0.8025 -0.5575 -0.5575 3.5332 3.5332 3.8032 3.8032 3.8181 3.8181 6.2582 6.2582 6.2661 6.2661 8.2555 8.2555 k = 0.4706 0.2717 0.1921 ( 11090 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0533 -21.0533 -20.5672 -20.5672 -20.5549 -20.5549 -20.2254 -20.2254 -20.2099 -20.2099 -20.1176 -20.1176 -17.0158 -17.0158 -16.6898 -16.6898 -16.6182 -16.6182 -3.2915 -3.2915 -3.1813 -3.1813 -3.1671 -3.1671 -2.8265 -2.8265 -2.8247 -2.8247 -2.8018 -2.8018 -2.7819 -2.7819 -2.7101 -2.7101 -2.4836 -2.4836 -1.6898 -1.6898 -1.3293 -1.3293 -1.2964 -1.2964 -1.2805 -1.2805 -1.2083 -1.2083 -1.1743 -1.1743 -0.8209 -0.8209 -0.8012 -0.8012 -0.5570 -0.5570 3.5328 3.5328 3.8027 3.8027 3.8175 3.8175 6.2564 6.2564 6.2643 6.2643 8.2409 8.2409 k = 0.4559 0.2632 0.1861 ( 11096 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0515 -21.0515 -20.5663 -20.5663 -20.5541 -20.5541 -20.2263 -20.2263 -20.2108 -20.2108 -20.1203 -20.1203 -17.0154 -17.0154 -16.6896 -16.6896 -16.6172 -16.6172 -3.3014 -3.3014 -3.1897 -3.1897 -3.1759 -3.1759 -2.8249 -2.8249 -2.8205 -2.8205 -2.7973 -2.7973 -2.7805 -2.7805 -2.7036 -2.7036 -2.4864 -2.4864 -1.6813 -1.6813 -1.3298 -1.3298 -1.2929 -1.2929 -1.2767 -1.2767 -1.2095 -1.2095 -1.1752 -1.1752 -0.8188 -0.8188 -0.7991 -0.7991 -0.5560 -0.5560 3.5322 3.5322 3.8018 3.8018 3.8166 3.8166 6.2533 6.2533 6.2612 6.2612 8.2174 8.2174 k = 0.4412 0.2547 0.1801 ( 11096 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0490 -21.0490 -20.5652 -20.5652 -20.5529 -20.5529 -20.2276 -20.2276 -20.2122 -20.2122 -20.1241 -20.1241 -17.0149 -17.0149 -16.6894 -16.6894 -16.6158 -16.6158 -3.3146 -3.3146 -3.2007 -3.2007 -3.1874 -3.1874 -2.8256 -2.8256 -2.8172 -2.8172 -2.7888 -2.7888 -2.7765 -2.7765 -2.6951 -2.6951 -2.4899 -2.4899 -1.6697 -1.6697 -1.3306 -1.3306 -1.2880 -1.2880 -1.2715 -1.2715 -1.2111 -1.2111 -1.1762 -1.1762 -0.8160 -0.8160 -0.7963 -0.7963 -0.5547 -0.5547 3.5313 3.5313 3.8006 3.8006 3.8154 3.8154 6.2491 6.2491 6.2570 6.2570 8.1856 8.1856 k = 0.4265 0.2462 0.1741 ( 11093 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0458 -21.0458 -20.5637 -20.5637 -20.5513 -20.5513 -20.2293 -20.2293 -20.2139 -20.2139 -20.1289 -20.1289 -17.0142 -17.0142 -16.6892 -16.6892 -16.6141 -16.6141 -3.3308 -3.3308 -3.2139 -3.2139 -3.2010 -3.2010 -2.8285 -2.8285 -2.8165 -2.8165 -2.7769 -2.7769 -2.7687 -2.7687 -2.6850 -2.6850 -2.4941 -2.4941 -1.6551 -1.6551 -1.3317 -1.3317 -1.2821 -1.2821 -1.2650 -1.2650 -1.2130 -1.2130 -1.1772 -1.1772 -0.8125 -0.8125 -0.7927 -0.7927 -0.5531 -0.5531 3.5301 3.5301 3.7990 3.7990 3.8138 3.8138 6.2437 6.2437 6.2516 6.2516 8.1466 8.1466 k = 0.4118 0.2377 0.1681 ( 11099 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0419 -21.0419 -20.5619 -20.5619 -20.5494 -20.5494 -20.2314 -20.2314 -20.2160 -20.2160 -20.1348 -20.1348 -17.0133 -17.0133 -16.6889 -16.6889 -16.6120 -16.6120 -3.3496 -3.3496 -3.2288 -3.2288 -3.2164 -3.2164 -2.8330 -2.8330 -2.8185 -2.8185 -2.7627 -2.7627 -2.7574 -2.7574 -2.6740 -2.6740 -2.4985 -2.4985 -1.6379 -1.6379 -1.3331 -1.3331 -1.2752 -1.2752 -1.2572 -1.2572 -1.2150 -1.2150 -1.1780 -1.1780 -0.8084 -0.8084 -0.7885 -0.7885 -0.5511 -0.5511 3.5287 3.5287 3.7971 3.7971 3.8119 3.8119 6.2372 6.2372 6.2452 6.2452 8.1016 8.1016 k = 0.3971 0.2292 0.1621 ( 11087 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0373 -21.0373 -20.5598 -20.5598 -20.5472 -20.5472 -20.2338 -20.2338 -20.2184 -20.2184 -20.1416 -20.1416 -17.0124 -17.0124 -16.6886 -16.6886 -16.6095 -16.6095 -3.3704 -3.3704 -3.2449 -3.2449 -3.2330 -3.2330 -2.8386 -2.8386 -2.8227 -2.8227 -2.7469 -2.7469 -2.7435 -2.7435 -2.6627 -2.6627 -2.5027 -2.5027 -1.6183 -1.6183 -1.3349 -1.3349 -1.2678 -1.2678 -1.2487 -1.2487 -1.2166 -1.2166 -1.1784 -1.1784 -0.8037 -0.8037 -0.7838 -0.7838 -0.5489 -0.5489 3.5271 3.5271 3.7948 3.7948 3.8096 3.8096 6.2297 6.2297 6.2377 6.2377 8.0515 8.0515 k = 0.3824 0.2208 0.1561 ( 11093 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0320 -21.0320 -20.5574 -20.5574 -20.5447 -20.5447 -20.2365 -20.2365 -20.2212 -20.2212 -20.1494 -20.1494 -17.0113 -17.0113 -16.6882 -16.6882 -16.6068 -16.6068 -3.3929 -3.3929 -3.2619 -3.2619 -3.2505 -3.2505 -2.8451 -2.8451 -2.8283 -2.8283 -2.7301 -2.7301 -2.7281 -2.7281 -2.6519 -2.6519 -2.5061 -2.5061 -1.5965 -1.5965 -1.3368 -1.3368 -1.2603 -1.2603 -1.2406 -1.2406 -1.2167 -1.2167 -1.1778 -1.1778 -0.7986 -0.7986 -0.7786 -0.7786 -0.5463 -0.5463 3.5253 3.5253 3.7923 3.7923 3.8071 3.8071 6.2213 6.2213 6.2293 6.2293 7.9976 7.9976 k = 0.3676 0.2123 0.1501 ( 11090 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0260 -21.0260 -20.5547 -20.5547 -20.5419 -20.5419 -20.2397 -20.2397 -20.2244 -20.2244 -20.1581 -20.1581 -17.0101 -17.0101 -16.6878 -16.6878 -16.6037 -16.6037 -3.4166 -3.4166 -3.2796 -3.2796 -3.2686 -3.2686 -2.8524 -2.8524 -2.8349 -2.8349 -2.7126 -2.7126 -2.7118 -2.7118 -2.6423 -2.6423 -2.5082 -2.5082 -1.5729 -1.5729 -1.3391 -1.3391 -1.2532 -1.2532 -1.2355 -1.2355 -1.2127 -1.2127 -1.1757 -1.1757 -0.7931 -0.7931 -0.7731 -0.7731 -0.5435 -0.5435 3.5233 3.5233 3.7895 3.7895 3.8043 3.8043 6.2120 6.2120 6.2200 6.2200 7.9407 7.9407 k = 0.3529 0.2038 0.1441 ( 11084 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0194 -21.0194 -20.5516 -20.5516 -20.5387 -20.5387 -20.2431 -20.2431 -20.2279 -20.2279 -20.1677 -20.1677 -17.0089 -17.0089 -16.6873 -16.6873 -16.6004 -16.6004 -3.4413 -3.4413 -3.2976 -3.2976 -3.2870 -3.2870 -2.8603 -2.8603 -2.8423 -2.8423 -2.6950 -2.6950 -2.6949 -2.6949 -2.6347 -2.6347 -2.5081 -2.5081 -1.5478 -1.5478 -1.3415 -1.3415 -1.2472 -1.2472 -1.2348 -1.2348 -1.2034 -1.2034 -1.1716 -1.1716 -0.7873 -0.7873 -0.7673 -0.7673 -0.5404 -0.5404 3.5211 3.5211 3.7865 3.7865 3.8013 3.8013 6.2018 6.2018 6.2099 6.2099 7.8816 7.8816 k = 0.3382 0.1953 0.1381 ( 11072 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0122 -21.0122 -20.5483 -20.5483 -20.5352 -20.5352 -20.2469 -20.2469 -20.2318 -20.2318 -20.1781 -20.1781 -17.0075 -17.0075 -16.6869 -16.6869 -16.5968 -16.5968 -3.4666 -3.4666 -3.3157 -3.3157 -3.3055 -3.3055 -2.8686 -2.8686 -2.8503 -2.8503 -2.6780 -2.6780 -2.6772 -2.6772 -2.6298 -2.6298 -2.5054 -2.5054 -1.5215 -1.5215 -1.3441 -1.3441 -1.2428 -1.2428 -1.2362 -1.2362 -1.1909 -1.1909 -1.1651 -1.1651 -0.7814 -0.7814 -0.7613 -0.7613 -0.5372 -0.5372 3.5187 3.5187 3.7832 3.7832 3.7980 3.7980 6.1910 6.1910 6.1991 6.1991 7.8212 7.8212 k = 0.3235 0.1868 0.1321 ( 11077 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0043 -21.0043 -20.5447 -20.5447 -20.5314 -20.5314 -20.2511 -20.2511 -20.2360 -20.2360 -20.1893 -20.1893 -17.0061 -17.0061 -16.6863 -16.6863 -16.5930 -16.5930 -3.4922 -3.4922 -3.3338 -3.3338 -3.3239 -3.3239 -2.8774 -2.8774 -2.8588 -2.8588 -2.6610 -2.6610 -2.6595 -2.6595 -2.6279 -2.6279 -2.4997 -2.4997 -1.4943 -1.4943 -1.3469 -1.3469 -1.2400 -1.2400 -1.2383 -1.2383 -1.1769 -1.1769 -1.1561 -1.1561 -0.7753 -0.7753 -0.7553 -0.7553 -0.5338 -0.5338 3.5163 3.5163 3.7797 3.7797 3.7945 3.7945 6.1796 6.1796 6.1877 6.1877 7.7601 7.7601 k = 0.3088 0.1783 0.1261 ( 11077 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -20.9958 -20.9958 -20.5408 -20.5408 -20.5273 -20.5273 -20.2556 -20.2556 -20.2404 -20.2404 -20.2012 -20.2012 -17.0047 -17.0047 -16.6858 -16.6858 -16.5890 -16.5890 -3.5180 -3.5180 -3.3518 -3.3518 -3.3422 -3.3422 -2.8864 -2.8864 -2.8676 -2.8676 -2.6443 -2.6443 -2.6422 -2.6422 -2.6286 -2.6286 -2.4915 -2.4915 -1.4664 -1.4664 -1.3498 -1.3498 -1.2406 -1.2406 -1.2386 -1.2386 -1.1619 -1.1619 -1.1449 -1.1449 -0.7692 -0.7692 -0.7492 -0.7492 -0.5303 -0.5303 3.5136 3.5136 3.7761 3.7761 3.7908 3.7908 6.1676 6.1676 6.1758 6.1758 7.6989 7.6989 k = 0.2941 0.1698 0.1201 ( 11086 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9868 -20.9868 -20.5367 -20.5367 -20.5230 -20.5230 -20.2604 -20.2604 -20.2452 -20.2452 -20.2137 -20.2137 -17.0032 -17.0032 -16.6853 -16.6853 -16.5849 -16.5849 -3.5436 -3.5436 -3.3694 -3.3694 -3.3601 -3.3601 -2.8956 -2.8956 -2.8766 -2.8766 -2.6327 -2.6327 -2.6267 -2.6267 -2.6252 -2.6252 -2.4813 -2.4813 -1.4382 -1.4382 -1.3527 -1.3527 -1.2427 -1.2427 -1.2383 -1.2383 -1.1463 -1.1463 -1.1320 -1.1320 -0.7632 -0.7632 -0.7431 -0.7431 -0.5266 -0.5266 3.5109 3.5109 3.7723 3.7723 3.7871 3.7871 6.1553 6.1553 6.1636 6.1636 7.6380 7.6380 k = 0.2794 0.1613 0.1141 ( 11080 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9772 -20.9772 -20.5323 -20.5323 -20.5183 -20.5183 -20.2656 -20.2656 -20.2503 -20.2503 -20.2266 -20.2266 -17.0017 -17.0017 -16.6847 -16.6847 -16.5806 -16.5806 -3.5690 -3.5690 -3.3867 -3.3867 -3.3777 -3.3777 -2.9049 -2.9049 -2.8857 -2.8857 -2.6365 -2.6365 -2.6114 -2.6114 -2.6087 -2.6087 -2.4698 -2.4698 -1.4099 -1.4099 -1.3557 -1.3557 -1.2445 -1.2445 -1.2385 -1.2385 -1.1303 -1.1303 -1.1180 -1.1180 -0.7572 -0.7572 -0.7371 -0.7371 -0.5229 -0.5229 3.5081 3.5081 3.7684 3.7684 3.7831 3.7831 6.1427 6.1427 6.1510 6.1510 7.5779 7.5779 k = 0.2647 0.1528 0.1081 ( 11086 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9671 -20.9671 -20.5277 -20.5277 -20.5134 -20.5134 -20.2713 -20.2713 -20.2557 -20.2557 -20.2400 -20.2400 -17.0002 -17.0002 -16.6841 -16.6841 -16.5763 -16.5763 -3.5939 -3.5939 -3.4035 -3.4035 -3.3947 -3.3947 -2.9142 -2.9142 -2.8949 -2.8949 -2.6419 -2.6419 -2.5960 -2.5960 -2.5929 -2.5929 -2.4575 -2.4575 -1.3824 -1.3824 -1.3583 -1.3583 -1.2458 -1.2458 -1.2392 -1.2392 -1.1141 -1.1141 -1.1031 -1.1031 -0.7514 -0.7514 -0.7313 -0.7313 -0.5192 -0.5192 3.5053 3.5053 3.7644 3.7644 3.7792 3.7792 6.1299 6.1299 6.1382 6.1382 7.5190 7.5190 k = 0.2500 0.1443 0.1021 ( 11092 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9566 -20.9566 -20.5228 -20.5228 -20.5082 -20.5082 -20.2777 -20.2777 -20.2613 -20.2613 -20.2533 -20.2533 -16.9987 -16.9987 -16.6835 -16.6835 -16.5719 -16.5719 -3.6182 -3.6182 -3.4198 -3.4198 -3.4112 -3.4112 -2.9235 -2.9235 -2.9040 -2.9040 -2.6479 -2.6479 -2.5812 -2.5812 -2.5777 -2.5777 -2.4449 -2.4449 -1.3643 -1.3643 -1.3520 -1.3520 -1.2464 -1.2464 -1.2399 -1.2399 -1.0977 -1.0977 -1.0877 -1.0877 -0.7458 -0.7458 -0.7258 -0.7258 -0.5154 -0.5154 3.5025 3.5025 3.7604 3.7604 3.7751 3.7751 6.1170 6.1170 6.1254 6.1254 7.4617 7.4617 k = 0.2353 0.1358 0.0961 ( 11092 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.9456 -20.9456 -20.5177 -20.5177 -20.5028 -20.5028 -20.2852 -20.2852 -20.2672 -20.2672 -20.2662 -20.2662 -16.9972 -16.9972 -16.6829 -16.6829 -16.5675 -16.5675 -3.6417 -3.6417 -3.4354 -3.4354 -3.4270 -3.4270 -2.9326 -2.9326 -2.9129 -2.9129 -2.6543 -2.6543 -2.5672 -2.5672 -2.5633 -2.5633 -2.4323 -2.4323 -1.3659 -1.3659 -1.3273 -1.3273 -1.2459 -1.2459 -1.2407 -1.2407 -1.0815 -1.0815 -1.0722 -1.0722 -0.7405 -0.7405 -0.7204 -0.7204 -0.5117 -0.5117 3.4996 3.4996 3.7564 3.7564 3.7711 3.7711 6.1041 6.1041 6.1126 6.1126 7.4061 7.4061 k = 0.2206 0.1274 0.0901 ( 11107 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.9343 -20.9343 -20.5125 -20.5125 -20.4972 -20.4972 -20.2948 -20.2948 -20.2775 -20.2775 -20.2732 -20.2732 -16.9958 -16.9958 -16.6824 -16.6824 -16.5632 -16.5632 -3.6643 -3.6643 -3.4503 -3.4503 -3.4421 -3.4421 -2.9415 -2.9415 -2.9217 -2.9217 -2.6606 -2.6606 -2.5539 -2.5539 -2.5496 -2.5496 -2.4199 -2.4199 -1.3688 -1.3688 -1.3038 -1.3038 -1.2434 -1.2434 -1.2413 -1.2413 -1.0654 -1.0654 -1.0566 -1.0566 -0.7354 -0.7354 -0.7154 -0.7154 -0.5080 -0.5080 3.4967 3.4967 3.7524 3.7524 3.7671 3.7671 6.0915 6.0915 6.1000 6.1000 7.3527 7.3527 k = 0.2059 0.1189 0.0841 ( 11095 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.9226 -20.9226 -20.5071 -20.5071 -20.4913 -20.4913 -20.3070 -20.3070 -20.2866 -20.2866 -20.2795 -20.2795 -16.9943 -16.9943 -16.6818 -16.6818 -16.5589 -16.5589 -3.6860 -3.6860 -3.4645 -3.4645 -3.4565 -3.4565 -2.9501 -2.9501 -2.9301 -2.9301 -2.6670 -2.6670 -2.5413 -2.5413 -2.5368 -2.5368 -2.4078 -2.4078 -1.3716 -1.3716 -1.2848 -1.2848 -1.2419 -1.2419 -1.2366 -1.2366 -1.0496 -1.0496 -1.0411 -1.0411 -0.7306 -0.7306 -0.7107 -0.7107 -0.5045 -0.5045 3.4939 3.4939 3.7484 3.7484 3.7631 3.7631 6.0790 6.0790 6.0876 6.0876 7.3017 7.3017 k = 0.1912 0.1104 0.0780 ( 11101 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.9106 -20.9106 -20.5015 -20.5015 -20.4853 -20.4853 -20.3208 -20.3208 -20.2943 -20.2943 -20.2860 -20.2860 -16.9930 -16.9930 -16.6812 -16.6812 -16.5547 -16.5547 -3.7066 -3.7066 -3.4779 -3.4779 -3.4700 -3.4700 -2.9583 -2.9583 -2.9383 -2.9383 -2.6731 -2.6731 -2.5296 -2.5296 -2.5248 -2.5248 -2.3963 -2.3963 -1.3745 -1.3745 -1.2731 -1.2731 -1.2422 -1.2422 -1.2234 -1.2234 -1.0344 -1.0344 -1.0261 -1.0261 -0.7262 -0.7262 -0.7064 -0.7064 -0.5010 -0.5010 3.4912 3.4912 3.7445 3.7445 3.7592 3.7592 6.0670 6.0670 6.0756 6.0756 7.2532 7.2532 k = 0.1765 0.1019 0.0720 ( 11113 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8985 -20.8985 -20.4959 -20.4959 -20.4790 -20.4790 -20.3353 -20.3353 -20.3014 -20.3014 -20.2927 -20.2927 -16.9917 -16.9917 -16.6807 -16.6807 -16.5507 -16.5507 -3.7260 -3.7260 -3.4905 -3.4905 -3.4827 -3.4827 -2.9662 -2.9662 -2.9460 -2.9460 -2.6789 -2.6789 -2.5188 -2.5188 -2.5137 -2.5137 -2.3853 -2.3853 -1.3772 -1.3772 -1.2673 -1.2673 -1.2424 -1.2424 -1.2050 -1.2050 -1.0196 -1.0196 -1.0115 -1.0115 -0.7221 -0.7221 -0.7024 -0.7024 -0.4977 -0.4977 3.4886 3.4886 3.7408 3.7408 3.7555 3.7555 6.0553 6.0553 6.0640 6.0640 7.2075 7.2075 k = 0.1618 0.0934 0.0660 ( 11101 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8863 -20.8863 -20.4901 -20.4901 -20.4726 -20.4726 -20.3501 -20.3501 -20.3083 -20.3083 -20.2995 -20.2995 -16.9905 -16.9905 -16.6802 -16.6802 -16.5468 -16.5468 -3.7441 -3.7441 -3.5022 -3.5022 -3.4946 -3.4946 -2.9735 -2.9735 -2.9533 -2.9533 -2.6844 -2.6844 -2.5089 -2.5089 -2.5035 -2.5035 -2.3750 -2.3750 -1.3798 -1.3798 -1.2645 -1.2645 -1.2424 -1.2424 -1.1849 -1.1849 -1.0056 -1.0056 -0.9975 -0.9975 -0.7184 -0.7184 -0.6988 -0.6988 -0.4946 -0.4946 3.4861 3.4861 3.7372 3.7372 3.7519 3.7519 6.0443 6.0443 6.0530 6.0530 7.1648 7.1648 k = 0.1471 0.0849 0.0600 ( 11098 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8741 -20.8741 -20.4844 -20.4844 -20.4660 -20.4660 -20.3647 -20.3647 -20.3150 -20.3150 -20.3064 -20.3064 -16.9894 -16.9894 -16.6797 -16.6797 -16.5432 -16.5432 -3.7609 -3.7609 -3.5130 -3.5130 -3.5055 -3.5055 -2.9804 -2.9804 -2.9601 -2.9601 -2.6896 -2.6896 -2.4998 -2.4998 -2.4942 -2.4942 -2.3654 -2.3654 -1.3822 -1.3822 -1.2628 -1.2628 -1.2423 -1.2423 -1.1649 -1.1649 -0.9924 -0.9924 -0.9843 -0.9843 -0.7151 -0.7151 -0.6955 -0.6955 -0.4916 -0.4916 3.4837 3.4837 3.7338 3.7338 3.7485 3.7485 6.0338 6.0338 6.0426 6.0426 7.1252 7.1252 k = 0.1324 0.0764 0.0540 ( 11092 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8621 -20.8621 -20.4788 -20.4788 -20.4594 -20.4594 -20.3790 -20.3790 -20.3217 -20.3217 -20.3134 -20.3134 -16.9883 -16.9883 -16.6793 -16.6793 -16.5398 -16.5398 -3.7763 -3.7763 -3.5228 -3.5228 -3.5154 -3.5154 -2.9868 -2.9868 -2.9664 -2.9664 -2.6943 -2.6943 -2.4916 -2.4916 -2.4858 -2.4858 -2.3567 -2.3567 -1.3845 -1.3845 -1.2615 -1.2615 -1.2420 -1.2420 -1.1459 -1.1459 -0.9800 -0.9800 -0.9719 -0.9719 -0.7121 -0.7121 -0.6927 -0.6927 -0.4889 -0.4889 3.4815 3.4815 3.7306 3.7306 3.7453 3.7453 6.0241 6.0241 6.0329 6.0329 7.0890 7.0890 k = 0.1176 0.0679 0.0480 ( 11077 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8503 -20.8503 -20.4735 -20.4735 -20.4526 -20.4526 -20.3925 -20.3925 -20.3283 -20.3283 -20.3205 -20.3205 -16.9873 -16.9873 -16.6788 -16.6788 -16.5367 -16.5367 -3.7902 -3.7902 -3.5317 -3.5317 -3.5244 -3.5244 -2.9926 -2.9926 -2.9721 -2.9721 -2.6986 -2.6986 -2.4843 -2.4843 -2.4783 -2.4783 -2.3487 -2.3487 -1.3865 -1.3865 -1.2605 -1.2605 -1.2417 -1.2417 -1.1283 -1.1283 -0.9687 -0.9687 -0.9605 -0.9605 -0.7095 -0.7095 -0.6902 -0.6902 -0.4864 -0.4864 3.4794 3.4794 3.7277 3.7277 3.7424 3.7424 6.0152 6.0152 6.0241 6.0241 7.0562 7.0562 k = 0.1029 0.0594 0.0420 ( 11077 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8391 -20.8391 -20.4686 -20.4686 -20.4458 -20.4458 -20.4049 -20.4049 -20.3347 -20.3347 -20.3276 -20.3276 -16.9865 -16.9865 -16.6785 -16.6785 -16.5338 -16.5338 -3.8026 -3.8026 -3.5396 -3.5396 -3.5324 -3.5324 -2.9978 -2.9978 -2.9772 -2.9772 -2.7024 -2.7024 -2.4779 -2.4779 -2.4717 -2.4717 -2.3416 -2.3416 -1.3884 -1.3884 -1.2596 -1.2596 -1.2413 -1.2413 -1.1123 -1.1123 -0.9584 -0.9584 -0.9502 -0.9502 -0.7073 -0.7073 -0.6881 -0.6881 -0.4841 -0.4841 3.4776 3.4776 3.7251 3.7251 3.7398 3.7398 6.0072 6.0072 6.0161 6.0161 7.0269 7.0269 k = 0.0882 0.0509 0.0360 ( 11077 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8285 -20.8285 -20.4646 -20.4646 -20.4391 -20.4391 -20.4156 -20.4156 -20.3410 -20.3410 -20.3346 -20.3346 -16.9857 -16.9857 -16.6781 -16.6781 -16.5313 -16.5313 -3.8134 -3.8134 -3.5465 -3.5465 -3.5394 -3.5394 -3.0023 -3.0023 -2.9817 -2.9817 -2.7057 -2.7057 -2.4723 -2.4723 -2.4660 -2.4660 -2.3355 -2.3355 -1.3900 -1.3900 -1.2588 -1.2588 -1.2408 -1.2408 -1.0982 -1.0982 -0.9493 -0.9493 -0.9411 -0.9411 -0.7054 -0.7054 -0.6863 -0.6863 -0.4821 -0.4821 3.4759 3.4759 3.7227 3.7227 3.7374 3.7374 6.0001 6.0001 6.0090 6.0090 7.0013 7.0013 k = 0.0735 0.0425 0.0300 ( 11065 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8188 -20.8188 -20.4623 -20.4623 -20.4324 -20.4324 -20.4237 -20.4237 -20.3469 -20.3469 -20.3414 -20.3414 -16.9851 -16.9851 -16.6779 -16.6779 -16.5292 -16.5292 -3.8227 -3.8227 -3.5524 -3.5524 -3.5453 -3.5453 -3.0062 -3.0062 -2.9855 -2.9855 -2.7086 -2.7086 -2.4677 -2.4677 -2.4612 -2.4612 -2.3302 -2.3302 -1.3915 -1.3915 -1.2581 -1.2581 -1.2403 -1.2403 -1.0861 -1.0861 -0.9415 -0.9415 -0.9332 -0.9332 -0.7038 -0.7038 -0.6849 -0.6849 -0.4804 -0.4804 3.4745 3.4745 3.7207 3.7207 3.7354 3.7354 5.9940 5.9940 6.0029 6.0029 6.9795 6.9795 k = 0.0588 0.0340 0.0240 ( 11059 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8103 -20.8103 -20.4625 -20.4625 -20.4282 -20.4282 -20.4260 -20.4260 -20.3523 -20.3523 -20.3480 -20.3480 -16.9846 -16.9846 -16.6776 -16.6776 -16.5274 -16.5274 -3.8303 -3.8303 -3.5572 -3.5572 -3.5501 -3.5501 -3.0094 -3.0094 -2.9887 -2.9887 -2.7109 -2.7109 -2.4639 -2.4639 -2.4573 -2.4573 -2.3258 -2.3258 -1.3926 -1.3926 -1.2575 -1.2575 -1.2399 -1.2399 -1.0761 -1.0761 -0.9350 -0.9350 -0.9266 -0.9266 -0.7026 -0.7026 -0.6837 -0.6837 -0.4790 -0.4790 3.4733 3.4733 3.7190 3.7190 3.7337 3.7337 5.9890 5.9890 5.9979 5.9979 6.9615 6.9615 k = 0.0441 0.0255 0.0180 ( 11044 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8033 -20.8033 -20.4649 -20.4649 -20.4293 -20.4293 -20.4201 -20.4201 -20.3571 -20.3571 -20.3541 -20.3541 -16.9841 -16.9841 -16.6774 -16.6774 -16.5260 -16.5260 -3.8362 -3.8362 -3.5609 -3.5609 -3.5539 -3.5539 -3.0119 -3.0119 -2.9912 -2.9912 -2.7127 -2.7127 -2.4609 -2.4609 -2.4542 -2.4542 -2.3224 -2.3224 -1.3935 -1.3935 -1.2570 -1.2570 -1.2396 -1.2396 -1.0682 -1.0682 -0.9298 -0.9298 -0.9214 -0.9214 -0.7016 -0.7016 -0.6828 -0.6828 -0.4779 -0.4779 3.4724 3.4724 3.7177 3.7177 3.7324 3.7324 5.9850 5.9850 5.9940 5.9940 6.9475 6.9475 k = 0.0294 0.0170 0.0120 ( 11050 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.7981 -20.7981 -20.4681 -20.4681 -20.4286 -20.4286 -20.4151 -20.4151 -20.3608 -20.3608 -20.3592 -20.3592 -16.9838 -16.9838 -16.6773 -16.6773 -16.5250 -16.5250 -3.8405 -3.8405 -3.5636 -3.5636 -3.5567 -3.5567 -3.0137 -3.0137 -2.9930 -2.9930 -2.7140 -2.7140 -2.4588 -2.4588 -2.4521 -2.4521 -2.3200 -2.3200 -1.3942 -1.3942 -1.2566 -1.2566 -1.2393 -1.2393 -1.0625 -1.0625 -0.9261 -0.9261 -0.9177 -0.9177 -0.7010 -0.7010 -0.6822 -0.6822 -0.4771 -0.4771 3.4717 3.4717 3.7168 3.7168 3.7314 3.7314 5.9822 5.9822 5.9911 5.9911 6.9374 6.9374 k = 0.0147 0.0085 0.0060 ( 11023 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.7948 -20.7948 -20.4705 -20.4705 -20.4276 -20.4276 -20.4115 -20.4115 -20.3633 -20.3633 -20.3628 -20.3628 -16.9837 -16.9837 -16.6772 -16.6772 -16.5244 -16.5244 -3.8430 -3.8430 -3.5652 -3.5652 -3.5583 -3.5583 -3.0148 -3.0148 -2.9940 -2.9940 -2.7148 -2.7148 -2.4575 -2.4575 -2.4508 -2.4508 -2.3185 -2.3185 -1.3946 -1.3946 -1.2564 -1.2564 -1.2391 -1.2391 -1.0591 -1.0591 -0.9239 -0.9239 -0.9154 -0.9154 -0.7006 -0.7006 -0.6819 -0.6819 -0.4767 -0.4767 3.4713 3.4713 3.7162 3.7162 3.7309 3.7309 5.9804 5.9804 5.9894 5.9894 6.9314 6.9314 k = 0.0000 0.0000 0.0000 ( 11017 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.7937 -20.7937 -20.4714 -20.4714 -20.4271 -20.4271 -20.4102 -20.4102 -20.3642 -20.3642 -20.3642 -20.3642 -16.9836 -16.9836 -16.6772 -16.6772 -16.5242 -16.5242 -3.8439 -3.8439 -3.5658 -3.5658 -3.5588 -3.5588 -3.0152 -3.0152 -2.9944 -2.9944 -2.7151 -2.7151 -2.4571 -2.4571 -2.4503 -2.4503 -2.3180 -2.3180 -1.3947 -1.3947 -1.2563 -1.2563 -1.2391 -1.2391 -1.0580 -1.0580 -0.9231 -0.9231 -0.9147 -0.9147 -0.7005 -0.7005 -0.6817 -0.6817 -0.4765 -0.4765 3.4712 3.4712 3.7160 3.7160 3.7307 3.7307 5.9799 5.9799 5.9888 5.9888 6.9294 6.9294 k = 0.0000 0.0000 0.0000 ( 11017 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.7937 -20.7937 -20.4714 -20.4714 -20.4271 -20.4271 -20.4102 -20.4102 -20.3642 -20.3642 -20.3642 -20.3642 -16.9836 -16.9836 -16.6772 -16.6772 -16.5242 -16.5242 -3.8439 -3.8439 -3.5658 -3.5658 -3.5588 -3.5588 -3.0152 -3.0152 -2.9944 -2.9944 -2.7151 -2.7151 -2.4571 -2.4571 -2.4503 -2.4503 -2.3180 -2.3180 -1.3947 -1.3947 -1.2563 -1.2563 -1.2391 -1.2391 -1.0580 -1.0580 -0.9231 -0.9231 -0.9147 -0.9147 -0.7005 -0.7005 -0.6817 -0.6817 -0.4765 -0.4765 3.4712 3.4712 3.7160 3.7160 3.7307 3.7307 5.9799 5.9799 5.9888 5.9888 6.9294 6.9294 k = 0.0091-0.0053-0.0149 ( 11025 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.7940 -20.7940 -20.4732 -20.4732 -20.4282 -20.4282 -20.4106 -20.4106 -20.3637 -20.3637 -20.3609 -20.3609 -16.9837 -16.9837 -16.6773 -16.6773 -16.5243 -16.5243 -3.8430 -3.8430 -3.5654 -3.5654 -3.5584 -3.5584 -3.0147 -3.0147 -2.9939 -2.9939 -2.7145 -2.7145 -2.4576 -2.4576 -2.4507 -2.4507 -2.3178 -2.3178 -1.3955 -1.3955 -1.2572 -1.2572 -1.2399 -1.2399 -1.0588 -1.0588 -0.9235 -0.9235 -0.9150 -0.9150 -0.7004 -0.7004 -0.6817 -0.6817 -0.4769 -0.4769 3.4715 3.4715 3.7163 3.7163 3.7310 3.7310 5.9803 5.9803 5.9892 5.9892 6.9315 6.9315 k = 0.0183-0.0106-0.0299 ( 11041 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.7947 -20.7947 -20.4784 -20.4784 -20.4306 -20.4306 -20.4116 -20.4116 -20.3622 -20.3622 -20.3525 -20.3525 -16.9839 -16.9839 -16.6775 -16.6775 -16.5246 -16.5246 -3.8404 -3.8404 -3.5642 -3.5642 -3.5570 -3.5570 -3.0134 -3.0134 -2.9925 -2.9925 -2.7128 -2.7128 -2.4591 -2.4591 -2.4517 -2.4517 -2.3170 -2.3170 -1.3979 -1.3979 -1.2601 -1.2601 -1.2421 -1.2421 -1.0611 -1.0611 -0.9245 -0.9245 -0.9160 -0.9160 -0.7002 -0.7002 -0.6816 -0.6816 -0.4781 -0.4781 3.4724 3.4724 3.7172 3.7172 3.7319 3.7319 5.9814 5.9814 5.9905 5.9905 6.9377 6.9377 k = 0.0274-0.0158-0.0448 ( 11061 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.7960 -20.7960 -20.4867 -20.4867 -20.4331 -20.4331 -20.4127 -20.4127 -20.3597 -20.3597 -20.3408 -20.3408 -16.9844 -16.9844 -16.6779 -16.6779 -16.5253 -16.5253 -3.8361 -3.8361 -3.5625 -3.5625 -3.5545 -3.5545 -3.0113 -3.0113 -2.9899 -2.9899 -2.7100 -2.7100 -2.4622 -2.4622 -2.4526 -2.4526 -2.3157 -2.3157 -1.4019 -1.4019 -1.2653 -1.2653 -1.2453 -1.2453 -1.0650 -1.0650 -0.9265 -0.9265 -0.9173 -0.9173 -0.6999 -0.6999 -0.6814 -0.6814 -0.4802 -0.4802 3.4739 3.4739 3.7186 3.7186 3.7336 3.7336 5.9832 5.9832 5.9927 5.9927 6.9481 6.9481 k = 0.0366-0.0211-0.0597 ( 11073 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.7976 -20.7976 -20.4973 -20.4973 -20.4350 -20.4350 -20.4138 -20.4138 -20.3565 -20.3565 -20.3274 -20.3274 -16.9850 -16.9850 -16.6784 -16.6784 -16.5261 -16.5261 -3.8302 -3.8302 -3.5604 -3.5604 -3.5507 -3.5507 -3.0086 -3.0086 -2.9860 -2.9860 -2.7060 -2.7060 -2.4672 -2.4672 -2.4534 -2.4534 -2.3139 -2.3139 -1.4077 -1.4077 -1.2731 -1.2731 -1.2490 -1.2490 -1.0704 -1.0704 -0.9298 -0.9298 -0.9184 -0.9184 -0.6996 -0.6996 -0.6812 -0.6812 -0.4830 -0.4830 3.4760 3.4760 3.7205 3.7205 3.7360 3.7360 5.9855 5.9855 5.9959 5.9959 6.9627 6.9627 k = 0.0457-0.0264-0.0747 ( 11065 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.7997 -20.7997 -20.5093 -20.5093 -20.4363 -20.4363 -20.4149 -20.4149 -20.3527 -20.3527 -20.3131 -20.3131 -16.9857 -16.9857 -16.6790 -16.6790 -16.5272 -16.5272 -3.8229 -3.8229 -3.5578 -3.5578 -3.5456 -3.5456 -3.0057 -3.0057 -2.9807 -2.9807 -2.7009 -2.7009 -2.4739 -2.4739 -2.4541 -2.4541 -2.3116 -2.3116 -1.4154 -1.4154 -1.2834 -1.2834 -1.2532 -1.2532 -1.0769 -1.0769 -0.9342 -0.9342 -0.9192 -0.9192 -0.6994 -0.6994 -0.6810 -0.6810 -0.4866 -0.4866 3.4786 3.4786 3.7226 3.7226 3.7392 3.7392 5.9882 5.9882 6.0001 6.0001 6.9813 6.9813 k = 0.0549-0.0317-0.0896 ( 11073 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8022 -20.8022 -20.5220 -20.5220 -20.4372 -20.4372 -20.4160 -20.4160 -20.3483 -20.3483 -20.2982 -20.2982 -16.9866 -16.9866 -16.6798 -16.6798 -16.5285 -16.5285 -3.8142 -3.8142 -3.5547 -3.5547 -3.5391 -3.5391 -3.0024 -3.0024 -2.9738 -2.9738 -2.6947 -2.6947 -2.4822 -2.4822 -2.4548 -2.4548 -2.3087 -2.3087 -1.4254 -1.4254 -1.2958 -1.2958 -1.2578 -1.2578 -1.0846 -1.0846 -0.9398 -0.9398 -0.9197 -0.9197 -0.6995 -0.6995 -0.6809 -0.6809 -0.4910 -0.4910 3.4817 3.4817 3.7250 3.7250 3.7433 3.7433 5.9911 5.9911 6.0055 6.0055 7.0041 7.0041 k = 0.0640-0.0370-0.1046 ( 11081 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8050 -20.8050 -20.5352 -20.5352 -20.4378 -20.4378 -20.4171 -20.4171 -20.3434 -20.3434 -20.2831 -20.2831 -16.9876 -16.9876 -16.6807 -16.6807 -16.5299 -16.5299 -3.8043 -3.8043 -3.5509 -3.5509 -3.5315 -3.5315 -2.9991 -2.9991 -2.9654 -2.9654 -2.6874 -2.6874 -2.4920 -2.4920 -2.4557 -2.4557 -2.3053 -2.3053 -1.4380 -1.4380 -1.3097 -1.3097 -1.2631 -1.2631 -1.0932 -1.0932 -0.9462 -0.9462 -0.9199 -0.9199 -0.7000 -0.7000 -0.6809 -0.6809 -0.4962 -0.4962 3.4853 3.4853 3.7276 3.7276 3.7483 3.7483 5.9942 5.9942 6.0118 6.0118 7.0308 7.0308 k = 0.0732-0.0422-0.1195 ( 11077 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8080 -20.8080 -20.5483 -20.5483 -20.4383 -20.4383 -20.4181 -20.4181 -20.3382 -20.3382 -20.2680 -20.2680 -16.9888 -16.9888 -16.6817 -16.6817 -16.5316 -16.5316 -3.7936 -3.7936 -3.5461 -3.5461 -3.5228 -3.5228 -2.9954 -2.9954 -2.9555 -2.9555 -2.6790 -2.6790 -2.5032 -2.5032 -2.4568 -2.4568 -2.3012 -2.3012 -1.4535 -1.4535 -1.3245 -1.3245 -1.2692 -1.2692 -1.1024 -1.1024 -0.9532 -0.9532 -0.9198 -0.9198 -0.7010 -0.7010 -0.6811 -0.6811 -0.5021 -0.5021 3.4893 3.4893 3.7304 3.7304 3.7540 3.7540 5.9975 5.9975 6.0190 6.0190 7.0615 7.0615 k = 0.0823-0.0475-0.1344 ( 11095 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8113 -20.8113 -20.5614 -20.5614 -20.4386 -20.4386 -20.4191 -20.4191 -20.3327 -20.3327 -20.2529 -20.2529 -16.9901 -16.9901 -16.6828 -16.6828 -16.5334 -16.5334 -3.7824 -3.7824 -3.5401 -3.5401 -3.5132 -3.5132 -2.9916 -2.9916 -2.9442 -2.9442 -2.6696 -2.6696 -2.5155 -2.5155 -2.4582 -2.4582 -2.2967 -2.2967 -1.4723 -1.4723 -1.3396 -1.3396 -1.2762 -1.2762 -1.1121 -1.1121 -0.9608 -0.9608 -0.9194 -0.9194 -0.7027 -0.7027 -0.6814 -0.6814 -0.5087 -0.5087 3.4936 3.4936 3.7333 3.7333 3.7604 3.7604 6.0009 6.0009 6.0270 6.0270 7.0961 7.0961 k = 0.0915-0.0528-0.1494 ( 11109 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8146 -20.8146 -20.5742 -20.5742 -20.4388 -20.4388 -20.4200 -20.4200 -20.3271 -20.3271 -20.2381 -20.2381 -16.9914 -16.9914 -16.6839 -16.6839 -16.5353 -16.5353 -3.7709 -3.7709 -3.5326 -3.5326 -3.5027 -3.5027 -2.9874 -2.9874 -2.9317 -2.9317 -2.6594 -2.6594 -2.5287 -2.5287 -2.4599 -2.4599 -2.2915 -2.2915 -1.4945 -1.4945 -1.3546 -1.3546 -1.2840 -1.2840 -1.1219 -1.1219 -0.9688 -0.9688 -0.9187 -0.9187 -0.7051 -0.7051 -0.6818 -0.6818 -0.5160 -0.5160 3.4983 3.4983 3.7365 3.7365 3.7674 3.7674 6.0044 6.0044 6.0356 6.0356 7.1346 7.1346 k = 0.1006-0.0581-0.1643 ( 11101 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8181 -20.8181 -20.5867 -20.5867 -20.4390 -20.4390 -20.4208 -20.4208 -20.3214 -20.3214 -20.2236 -20.2236 -16.9929 -16.9929 -16.6851 -16.6851 -16.5374 -16.5374 -3.7595 -3.7595 -3.5235 -3.5235 -3.4915 -3.4915 -2.9828 -2.9828 -2.9180 -2.9180 -2.6487 -2.6487 -2.5423 -2.5423 -2.4619 -2.4619 -2.2857 -2.2857 -1.5203 -1.5203 -1.3692 -1.3692 -1.2929 -1.2929 -1.1318 -1.1318 -0.9772 -0.9772 -0.9176 -0.9176 -0.7084 -0.7084 -0.6823 -0.6823 -0.5239 -0.5239 3.5033 3.5033 3.7398 3.7398 3.7749 3.7749 6.0080 6.0080 6.0447 6.0447 7.1768 7.1768 k = 0.1098-0.0634-0.1792 ( 11113 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8216 -20.8216 -20.5987 -20.5987 -20.4391 -20.4391 -20.4215 -20.4215 -20.3157 -20.3157 -20.2096 -20.2096 -16.9944 -16.9944 -16.6863 -16.6863 -16.5395 -16.5395 -3.7487 -3.7487 -3.5123 -3.5123 -3.4797 -3.4797 -2.9778 -2.9778 -2.9034 -2.9034 -2.6388 -2.6388 -2.5550 -2.5550 -2.4644 -2.4644 -2.2793 -2.2793 -1.5493 -1.5493 -1.3833 -1.3833 -1.3026 -1.3026 -1.1416 -1.1416 -0.9858 -0.9858 -0.9161 -0.9161 -0.7126 -0.7126 -0.6831 -0.6831 -0.5325 -0.5325 3.5084 3.5084 3.7433 3.7433 3.7828 3.7828 6.0115 6.0115 6.0542 6.0542 7.2226 7.2226 k = 0.1189-0.0686-0.1942 ( 11111 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8251 -20.8251 -20.6103 -20.6103 -20.4391 -20.4391 -20.4222 -20.4222 -20.3101 -20.3101 -20.1959 -20.1959 -16.9959 -16.9959 -16.6876 -16.6876 -16.5417 -16.5417 -3.7387 -3.7387 -3.4990 -3.4990 -3.4674 -3.4674 -2.9724 -2.9724 -2.8879 -2.8879 -2.6323 -2.6323 -2.5641 -2.5641 -2.4672 -2.4672 -2.2724 -2.2724 -1.5812 -1.5812 -1.3969 -1.3969 -1.3132 -1.3132 -1.1512 -1.1512 -0.9946 -0.9946 -0.9143 -0.9143 -0.7178 -0.7178 -0.6841 -0.6841 -0.5417 -0.5417 3.5138 3.5138 3.7471 3.7471 3.7909 3.7909 6.0149 6.0149 6.0639 6.0639 7.2720 7.2720 k = 0.1280-0.0739-0.2091 ( 11103 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8285 -20.8285 -20.6213 -20.6213 -20.4391 -20.4391 -20.4229 -20.4229 -20.3046 -20.3046 -20.1828 -20.1828 -16.9974 -16.9974 -16.6888 -16.6888 -16.5439 -16.5439 -3.7298 -3.7298 -3.4833 -3.4833 -3.4547 -3.4547 -2.9666 -2.9666 -2.8717 -2.8717 -2.6338 -2.6338 -2.5647 -2.5647 -2.4703 -2.4703 -2.2649 -2.2649 -1.6156 -1.6156 -1.4102 -1.4102 -1.3246 -1.3246 -1.1604 -1.1604 -1.0036 -1.0036 -0.9119 -0.9119 -0.7238 -0.7238 -0.6853 -0.6853 -0.5514 -0.5514 3.5192 3.5192 3.7511 3.7511 3.7991 3.7991 6.0182 6.0182 6.0737 6.0737 7.3248 7.3248 k = 0.1372-0.0792-0.2240 ( 11099 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8318 -20.8318 -20.6318 -20.6318 -20.4390 -20.4390 -20.4235 -20.4235 -20.2993 -20.2993 -20.1704 -20.1704 -16.9990 -16.9990 -16.6901 -16.6901 -16.5462 -16.5462 -3.7222 -3.7222 -3.4655 -3.4655 -3.4419 -3.4419 -2.9602 -2.9602 -2.8550 -2.8550 -2.6447 -2.6447 -2.5554 -2.5554 -2.4739 -2.4739 -2.2567 -2.2567 -1.6520 -1.6520 -1.4232 -1.4232 -1.3366 -1.3366 -1.1694 -1.1694 -1.0126 -1.0126 -0.9092 -0.9092 -0.7307 -0.7307 -0.6867 -0.6867 -0.5617 -0.5617 3.5248 3.5248 3.7552 3.7552 3.8074 3.8074 6.0214 6.0214 6.0836 6.0836 7.3809 7.3809 k = 0.1463-0.0845-0.2390 ( 11105 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8349 -20.8349 -20.6417 -20.6417 -20.4389 -20.4389 -20.4240 -20.4240 -20.2943 -20.2943 -20.1585 -20.1585 -17.0005 -17.0005 -16.6913 -16.6913 -16.5484 -16.5484 -3.7159 -3.7159 -3.4456 -3.4456 -3.4291 -3.4291 -2.9534 -2.9534 -2.8379 -2.8379 -2.6613 -2.6613 -2.5396 -2.5396 -2.4776 -2.4776 -2.2481 -2.2481 -1.6901 -1.6901 -1.4361 -1.4361 -1.3491 -1.3491 -1.1780 -1.1780 -1.0217 -1.0217 -0.9059 -0.9059 -0.7385 -0.7385 -0.6885 -0.6885 -0.5724 -0.5724 3.5304 3.5304 3.7596 3.7596 3.8155 3.8155 6.0242 6.0242 6.0932 6.0932 7.4401 7.4401 k = 0.1555-0.0898-0.2539 ( 11111 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8377 -20.8377 -20.6509 -20.6509 -20.4388 -20.4388 -20.4245 -20.4245 -20.2896 -20.2896 -20.1474 -20.1474 -17.0019 -17.0019 -16.6924 -16.6924 -16.5506 -16.5506 -3.7109 -3.7109 -3.4244 -3.4244 -3.4160 -3.4160 -2.9460 -2.9460 -2.8206 -2.8206 -2.6808 -2.6808 -2.5200 -2.5200 -2.4816 -2.4816 -2.2388 -2.2388 -1.7293 -1.7293 -1.4489 -1.4489 -1.3620 -1.3620 -1.1864 -1.1864 -1.0308 -1.0308 -0.9022 -0.9022 -0.7470 -0.7470 -0.6906 -0.6906 -0.5836 -0.5836 3.5359 3.5359 3.7642 3.7642 3.8235 3.8235 6.0268 6.0268 6.1026 6.1026 7.5025 7.5025 k = 0.1646-0.0951-0.2688 ( 11117 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8403 -20.8403 -20.6595 -20.6595 -20.4387 -20.4387 -20.4249 -20.4249 -20.2853 -20.2853 -20.1370 -20.1370 -17.0033 -17.0033 -16.6934 -16.6934 -16.5527 -16.5527 -3.7072 -3.7072 -3.4064 -3.4064 -3.3987 -3.3987 -2.9381 -2.9381 -2.8032 -2.8032 -2.7017 -2.7017 -2.4983 -2.4983 -2.4852 -2.4852 -2.2291 -2.2291 -1.7692 -1.7692 -1.4617 -1.4617 -1.3752 -1.3752 -1.1946 -1.1946 -1.0399 -1.0399 -0.8980 -0.8980 -0.7562 -0.7562 -0.6929 -0.6929 -0.5953 -0.5953 3.5414 3.5414 3.7690 3.7690 3.8312 3.8312 6.0290 6.0290 6.1115 6.1115 7.5677 7.5677 k = 0.1738-0.1003-0.2838 ( 11103 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8427 -20.8427 -20.6674 -20.6674 -20.4385 -20.4385 -20.4253 -20.4253 -20.2814 -20.2814 -20.1275 -20.1275 -17.0046 -17.0046 -16.6944 -16.6944 -16.5547 -16.5547 -3.7045 -3.7045 -3.3941 -3.3941 -3.3752 -3.3752 -2.9296 -2.9296 -2.7859 -2.7859 -2.7233 -2.7233 -2.4909 -2.4909 -2.4723 -2.4723 -2.2188 -2.2188 -1.8093 -1.8093 -1.4744 -1.4744 -1.3884 -1.3884 -1.2025 -1.2025 -1.0489 -1.0489 -0.8934 -0.8934 -0.7660 -0.7660 -0.6957 -0.6957 -0.6073 -0.6073 3.5468 3.5468 3.7739 3.7739 3.8385 3.8385 6.0308 6.0308 6.1199 6.1199 7.6357 7.6357 k = 0.1829-0.1056-0.2987 ( 11109 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8446 -20.8446 -20.6746 -20.6746 -20.4382 -20.4382 -20.4257 -20.4257 -20.2780 -20.2780 -20.1188 -20.1188 -17.0058 -17.0058 -16.6952 -16.6952 -16.5567 -16.5567 -3.7028 -3.7028 -3.3834 -3.3834 -3.3507 -3.3507 -2.9206 -2.9206 -2.7690 -2.7690 -2.7449 -2.7449 -2.4946 -2.4946 -2.4464 -2.4464 -2.2081 -2.2081 -1.8493 -1.8493 -1.4872 -1.4872 -1.4017 -1.4017 -1.2104 -1.2104 -1.0578 -1.0578 -0.8884 -0.8884 -0.7762 -0.7762 -0.6988 -0.6988 -0.6197 -0.6197 3.5521 3.5521 3.7790 3.7790 3.8453 3.8453 6.0322 6.0322 6.1276 6.1276 7.7062 7.7062 k = 0.1921-0.1109-0.3137 ( 11087 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8463 -20.8463 -20.6811 -20.6811 -20.4380 -20.4380 -20.4260 -20.4260 -20.2750 -20.2750 -20.1110 -20.1110 -17.0068 -17.0068 -16.6959 -16.6959 -16.5585 -16.5585 -3.7019 -3.7019 -3.3738 -3.3738 -3.3265 -3.3265 -2.9110 -2.9110 -2.7662 -2.7662 -2.7522 -2.7522 -2.4984 -2.4984 -2.4188 -2.4188 -2.1970 -2.1970 -1.8885 -1.8885 -1.4999 -1.4999 -1.4149 -1.4149 -1.2180 -1.2180 -1.0665 -1.0665 -0.8832 -0.8832 -0.7866 -0.7866 -0.7022 -0.7022 -0.6324 -0.6324 3.5572 3.5572 3.7842 3.7842 3.8516 3.8516 6.0330 6.0330 6.1345 6.1345 7.7792 7.7792 k = 0.2012-0.1162-0.3286 ( 11099 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.8475 -20.8475 -20.6869 -20.6869 -20.4377 -20.4377 -20.4263 -20.4263 -20.2727 -20.2727 -20.1041 -20.1041 -17.0077 -17.0077 -16.6965 -16.6965 -16.5602 -16.5602 -3.7017 -3.7017 -3.3655 -3.3655 -3.3032 -3.3032 -2.9008 -2.9008 -2.7860 -2.7860 -2.7366 -2.7366 -2.5017 -2.5017 -2.3899 -2.3899 -2.1854 -2.1854 -1.9263 -1.9263 -1.5127 -1.5127 -1.4280 -1.4280 -1.2256 -1.2256 -1.0751 -1.0751 -0.8779 -0.8779 -0.7971 -0.7971 -0.7060 -0.7060 -0.6453 -0.6453 3.5621 3.5621 3.7896 3.7896 3.8572 3.8572 6.0334 6.0334 6.1405 6.1405 7.8544 7.8544 k = 0.2104-0.1215-0.3435 ( 11097 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8484 -20.8484 -20.6920 -20.6920 -20.4374 -20.4374 -20.4266 -20.4266 -20.2709 -20.2709 -20.0981 -20.0981 -17.0084 -17.0084 -16.6969 -16.6969 -16.5618 -16.5618 -3.7021 -3.7021 -3.3587 -3.3587 -3.2821 -3.2821 -2.8900 -2.8900 -2.8037 -2.8037 -2.7217 -2.7217 -2.5046 -2.5046 -2.3603 -2.3603 -2.1736 -2.1736 -1.9619 -1.9619 -1.5254 -1.5254 -1.4410 -1.4410 -1.2330 -1.2330 -1.0834 -1.0834 -0.8729 -0.8729 -0.8070 -0.8070 -0.7102 -0.7102 -0.6584 -0.6584 3.5668 3.5668 3.7951 3.7951 3.8621 3.8621 6.0332 6.0332 6.1455 6.1455 7.9317 7.9317 k = 0.2195-0.1267-0.3585 ( 11099 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8488 -20.8488 -20.6963 -20.6963 -20.4371 -20.4371 -20.4268 -20.4268 -20.2697 -20.2697 -20.0932 -20.0932 -17.0089 -17.0089 -16.6971 -16.6971 -16.5631 -16.5631 -3.7030 -3.7030 -3.3536 -3.3536 -3.2641 -3.2641 -2.8787 -2.8787 -2.8184 -2.8184 -2.7079 -2.7079 -2.5067 -2.5067 -2.3308 -2.3308 -2.1614 -2.1614 -1.9941 -1.9941 -1.5380 -1.5380 -1.4538 -1.4538 -1.2403 -1.2403 -1.0915 -1.0915 -0.8691 -0.8691 -0.8158 -0.8158 -0.7147 -0.7147 -0.6715 -0.6715 3.5711 3.5711 3.8007 3.8007 3.8664 3.8664 6.0324 6.0324 6.1495 6.1495 8.0108 8.0108 k = 0.2287-0.1320-0.3734 ( 11077 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8488 -20.8488 -20.7000 -20.7000 -20.4368 -20.4368 -20.4269 -20.4269 -20.2692 -20.2692 -20.0892 -20.0892 -17.0092 -17.0092 -16.6972 -16.6972 -16.5644 -16.5644 -3.7045 -3.7045 -3.3502 -3.3502 -3.2506 -3.2506 -2.8668 -2.8668 -2.8288 -2.8288 -2.6956 -2.6956 -2.5080 -2.5080 -2.3026 -2.3026 -2.1491 -2.1491 -2.0214 -2.0214 -1.5506 -1.5506 -1.4665 -1.4665 -1.2473 -1.2473 -1.0993 -1.0993 -0.8679 -0.8679 -0.8219 -0.8219 -0.7196 -0.7196 -0.6845 -0.6845 3.5752 3.5752 3.8063 3.8063 3.8698 3.8698 6.0309 6.0309 6.1524 6.1524 8.0914 8.0914 k = 0.2378-0.1373-0.3883 ( 11084 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8483 -20.8483 -20.7028 -20.7028 -20.4364 -20.4364 -20.4270 -20.4270 -20.2693 -20.2693 -20.0862 -20.0862 -17.0093 -17.0093 -16.6970 -16.6970 -16.5654 -16.5654 -3.7063 -3.7063 -3.3488 -3.3488 -3.2427 -3.2427 -2.8544 -2.8544 -2.8340 -2.8340 -2.6849 -2.6849 -2.5084 -2.5084 -2.2778 -2.2778 -2.1368 -2.1368 -2.0412 -2.0412 -1.5631 -1.5631 -1.4791 -1.4791 -1.2542 -1.2542 -1.1068 -1.1068 -0.8706 -0.8706 -0.8240 -0.8240 -0.7249 -0.7249 -0.6972 -0.6972 3.5790 3.5790 3.8120 3.8120 3.8725 3.8725 6.0289 6.0289 6.1541 6.1541 8.1732 8.1732 k = 0.2470-0.1426-0.4033 ( 11080 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8474 -20.8474 -20.7050 -20.7050 -20.4360 -20.4360 -20.4271 -20.4271 -20.2700 -20.2700 -20.0842 -20.0842 -17.0092 -17.0092 -16.6967 -16.6967 -16.5662 -16.5662 -3.7085 -3.7085 -3.3492 -3.3492 -3.2412 -3.2412 -2.8419 -2.8419 -2.8329 -2.8329 -2.6762 -2.6762 -2.5077 -2.5077 -2.2592 -2.2592 -2.1242 -2.1242 -2.0504 -2.0504 -1.5754 -1.5754 -1.4916 -1.4916 -1.2607 -1.2607 -1.1140 -1.1140 -0.8772 -0.8772 -0.8226 -0.8226 -0.7304 -0.7304 -0.7094 -0.7094 3.5824 3.5824 3.8178 3.8178 3.8743 3.8743 6.0262 6.0262 6.1546 6.1546 8.2560 8.2560 k = 0.2561-0.1479-0.4182 ( 11082 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8460 -20.8460 -20.7064 -20.7064 -20.4356 -20.4356 -20.4271 -20.4271 -20.2715 -20.2715 -20.0833 -20.0833 -17.0089 -17.0089 -16.6962 -16.6962 -16.5669 -16.5669 -3.7110 -3.7110 -3.3517 -3.3517 -3.2462 -3.2462 -2.8303 -2.8303 -2.8246 -2.8246 -2.6697 -2.6697 -2.5060 -2.5060 -2.2494 -2.2494 -2.1113 -2.1113 -2.0464 -2.0464 -1.5876 -1.5876 -1.5041 -1.5041 -1.2669 -1.2669 -1.1208 -1.1208 -0.8861 -0.8861 -0.8195 -0.8195 -0.7362 -0.7362 -0.7205 -0.7205 3.5855 3.5855 3.8235 3.8235 3.8754 3.8754 6.0229 6.0229 6.1539 6.1539 8.3392 8.3392 k = 0.2652-0.1531-0.4331 ( 11076 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8442 -20.8442 -20.7071 -20.7071 -20.4352 -20.4352 -20.4270 -20.4270 -20.2735 -20.2735 -20.0834 -20.0834 -17.0084 -17.0084 -16.6955 -16.6955 -16.5674 -16.5674 -3.7138 -3.7138 -3.3561 -3.3561 -3.2572 -3.2572 -2.8184 -2.8184 -2.8112 -2.8112 -2.6655 -2.6655 -2.5033 -2.5033 -2.2479 -2.2479 -2.0978 -2.0978 -2.0296 -2.0296 -1.5997 -1.5997 -1.5167 -1.5167 -1.2727 -1.2727 -1.1272 -1.1272 -0.8961 -0.8961 -0.8169 -0.8169 -0.7418 -0.7418 -0.7300 -0.7300 3.5881 3.5881 3.8292 3.8292 3.8757 3.8757 6.0190 6.0190 6.1520 6.1520 8.4223 8.4223 k = 0.2744-0.1584-0.4481 ( 11078 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8418 -20.8418 -20.7071 -20.7071 -20.4347 -20.4347 -20.4269 -20.4269 -20.2763 -20.2763 -20.0845 -20.0845 -17.0077 -17.0077 -16.6946 -16.6946 -16.5677 -16.5677 -3.7168 -3.7168 -3.3623 -3.3623 -3.2733 -3.2733 -2.8043 -2.8043 -2.7962 -2.7962 -2.6632 -2.6632 -2.4995 -2.4995 -2.2510 -2.2510 -2.0843 -2.0843 -2.0030 -2.0030 -1.6115 -1.6115 -1.5294 -1.5294 -1.2779 -1.2779 -1.1332 -1.1332 -0.9065 -0.9065 -0.8165 -0.8165 -0.7471 -0.7471 -0.7370 -0.7370 3.5904 3.5904 3.8348 3.8348 3.8752 3.8752 6.0145 6.0145 6.1489 6.1489 8.5046 8.5046 k = 0.2835-0.1637-0.4630 ( 11062 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8390 -20.8390 -20.7065 -20.7065 -20.4343 -20.4343 -20.4267 -20.4267 -20.2796 -20.2796 -20.0865 -20.0865 -17.0068 -17.0068 -16.6935 -16.6935 -16.5677 -16.5677 -3.7202 -3.7202 -3.3703 -3.3703 -3.2934 -3.2934 -2.7896 -2.7896 -2.7802 -2.7802 -2.6618 -2.6618 -2.4949 -2.4949 -2.2552 -2.2552 -2.0711 -2.0711 -1.9700 -1.9700 -1.6230 -1.6230 -1.5423 -1.5423 -1.2825 -1.2825 -1.1388 -1.1388 -0.9168 -0.9168 -0.8195 -0.8195 -0.7528 -0.7528 -0.7398 -0.7398 3.5922 3.5922 3.8402 3.8402 3.8742 3.8742 6.0093 6.0093 6.1447 6.1447 8.5852 8.5852 k = 0.2927-0.1690-0.4779 ( 11062 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8358 -20.8358 -20.7052 -20.7052 -20.4338 -20.4338 -20.4264 -20.4264 -20.2837 -20.2837 -20.0896 -20.0896 -17.0057 -17.0057 -16.6923 -16.6923 -16.5677 -16.5677 -3.7238 -3.7238 -3.3798 -3.3798 -3.3164 -3.3164 -2.7767 -2.7767 -2.7639 -2.7639 -2.6591 -2.6591 -2.4894 -2.4894 -2.2581 -2.2581 -2.0584 -2.0584 -1.9332 -1.9332 -1.6341 -1.6341 -1.5554 -1.5554 -1.2864 -1.2864 -1.1439 -1.1439 -0.9269 -0.9269 -0.8260 -0.8260 -0.7595 -0.7595 -0.7379 -0.7379 3.5936 3.5936 3.8453 3.8453 3.8726 3.8726 6.0036 6.0036 6.1394 6.1394 8.6629 8.6629 k = 0.3018-0.1743-0.4929 ( 11070 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8321 -20.8321 -20.7032 -20.7032 -20.4333 -20.4333 -20.4260 -20.4260 -20.2883 -20.2883 -20.0936 -20.0936 -17.0044 -17.0044 -16.6910 -16.6910 -16.5674 -16.5674 -3.7276 -3.7276 -3.3907 -3.3907 -3.3414 -3.3414 -2.7689 -2.7689 -2.7477 -2.7477 -2.6522 -2.6522 -2.4833 -2.4833 -2.2587 -2.2587 -2.0462 -2.0462 -1.8943 -1.8943 -1.6446 -1.6446 -1.5687 -1.5687 -1.2896 -1.2896 -1.1486 -1.1486 -0.9367 -0.9367 -0.8351 -0.8351 -0.7667 -0.7667 -0.7327 -0.7327 3.5945 3.5945 3.8499 3.8499 3.8709 3.8709 5.9974 5.9974 6.1331 6.1331 8.7363 8.7363 k = 0.3110-0.1795-0.5078 ( 11068 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8280 -20.8280 -20.7007 -20.7007 -20.4328 -20.4328 -20.4254 -20.4254 -20.2935 -20.2935 -20.0985 -20.0985 -17.0030 -17.0030 -16.6895 -16.6895 -16.5669 -16.5669 -3.7317 -3.7317 -3.4028 -3.4028 -3.3677 -3.3677 -2.7691 -2.7691 -2.7310 -2.7310 -2.6389 -2.6389 -2.4766 -2.4766 -2.2567 -2.2567 -2.0346 -2.0346 -1.8546 -1.8546 -1.6543 -1.6543 -1.5822 -1.5822 -1.2920 -1.2920 -1.1528 -1.1528 -0.9460 -0.9460 -0.8459 -0.8459 -0.7742 -0.7742 -0.7255 -0.7255 3.5950 3.5950 3.8530 3.8530 3.8699 3.8699 5.9907 5.9907 6.1258 6.1258 8.8032 8.8032 k = 0.3201-0.1848-0.5228 ( 11078 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8234 -20.8234 -20.6976 -20.6976 -20.4323 -20.4323 -20.4247 -20.4247 -20.2992 -20.2992 -20.1042 -20.1042 -17.0014 -17.0014 -16.6879 -16.6879 -16.5663 -16.5663 -3.7361 -3.7361 -3.4159 -3.4159 -3.3946 -3.3946 -2.7767 -2.7767 -2.7138 -2.7138 -2.6198 -2.6198 -2.4695 -2.4695 -2.2521 -2.2521 -2.0237 -2.0237 -1.8155 -1.8155 -1.6625 -1.6625 -1.5959 -1.5959 -1.2935 -1.2935 -1.1566 -1.1566 -0.9549 -0.9549 -0.8573 -0.8573 -0.7818 -0.7818 -0.7171 -0.7171 3.5949 3.5949 3.8537 3.8537 3.8708 3.8708 5.9835 5.9835 6.1177 6.1177 8.8615 8.8615 k = 0.3293-0.1901-0.5377 ( 11086 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5043 -32.5043 -20.8185 -20.8185 -20.6940 -20.6940 -20.4318 -20.4318 -20.4238 -20.4238 -20.3055 -20.3055 -20.1108 -20.1108 -16.9997 -16.9997 -16.6862 -16.6862 -16.5656 -16.5656 -3.7409 -3.7409 -3.4299 -3.4299 -3.4215 -3.4215 -2.7895 -2.7895 -2.6961 -2.6961 -2.5971 -2.5971 -2.4620 -2.4620 -2.2453 -2.2453 -2.0135 -2.0135 -1.7793 -1.7793 -1.6676 -1.6676 -1.6096 -1.6096 -1.2942 -1.2942 -1.1598 -1.1598 -0.9633 -0.9633 -0.8690 -0.8690 -0.7895 -0.7895 -0.7083 -0.7083 3.5945 3.5945 3.8516 3.8516 3.8737 3.8737 5.9760 5.9760 6.1089 6.1089 8.9090 8.9090 k = 0.3384-0.1954-0.5526 ( 11098 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5408 -32.5408 -32.5043 -32.5043 -20.8132 -20.8132 -20.6899 -20.6899 -20.4314 -20.4314 -20.4227 -20.4227 -20.3122 -20.3122 -20.1182 -20.1182 -16.9979 -16.9979 -16.6844 -16.6844 -16.5647 -16.5647 -3.7459 -3.7459 -3.4487 -3.4487 -3.4438 -3.4438 -2.8054 -2.8054 -2.6779 -2.6779 -2.5724 -2.5724 -2.4545 -2.4545 -2.2367 -2.2367 -2.0043 -2.0043 -1.7509 -1.7509 -1.6656 -1.6656 -1.6228 -1.6228 -1.2941 -1.2941 -1.1627 -1.1627 -0.9712 -0.9712 -0.8806 -0.8806 -0.7972 -0.7972 -0.6991 -0.6991 3.5936 3.5936 3.8480 3.8480 3.8777 3.8777 5.9681 5.9681 6.0994 6.0994 8.9439 8.9439 k = 0.3476-0.2007-0.5676 ( 11078 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5408 -32.5408 -32.5043 -32.5043 -20.8075 -20.8075 -20.6854 -20.6854 -20.4310 -20.4310 -20.4213 -20.4213 -20.3193 -20.3193 -20.1264 -20.1264 -16.9960 -16.9960 -16.6826 -16.6826 -16.5636 -16.5636 -3.7513 -3.7513 -3.4746 -3.4746 -3.4587 -3.4587 -2.8231 -2.8231 -2.6594 -2.6594 -2.5469 -2.5469 -2.4469 -2.4469 -2.2267 -2.2267 -1.9960 -1.9960 -1.7371 -1.7371 -1.6547 -1.6547 -1.6306 -1.6306 -1.2932 -1.2932 -1.1650 -1.1650 -0.9788 -0.9788 -0.8916 -0.8916 -0.8050 -0.8050 -0.6900 -0.6900 3.5922 3.5922 3.8436 3.8436 3.8821 3.8821 5.9600 5.9600 6.0895 6.0895 8.9663 8.9663 k = 0.3567-0.2059-0.5825 ( 11074 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8015 -20.8015 -20.6805 -20.6805 -20.4307 -20.4307 -20.4196 -20.4196 -20.3268 -20.3268 -20.1352 -20.1352 -16.9941 -16.9941 -16.6807 -16.6807 -16.5625 -16.5625 -3.7572 -3.7572 -3.4996 -3.4996 -3.4736 -3.4736 -2.8416 -2.8416 -2.6405 -2.6405 -2.5215 -2.5215 -2.4394 -2.4394 -2.2156 -2.2156 -1.9888 -1.9888 -1.7362 -1.7362 -1.6585 -1.6585 -1.6115 -1.6115 -1.2916 -1.2916 -1.1669 -1.1669 -0.9860 -0.9860 -0.9018 -0.9018 -0.8129 -0.8129 -0.6811 -0.6811 3.5904 3.5904 3.8387 3.8387 3.8865 3.8865 5.9517 5.9517 6.0791 6.0791 8.9774 8.9774 k = 0.3659-0.2112-0.5974 ( 11078 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.7953 -20.7953 -20.6753 -20.6753 -20.4304 -20.4304 -20.4177 -20.4177 -20.3346 -20.3346 -20.1446 -20.1446 -16.9921 -16.9921 -16.6789 -16.6789 -16.5613 -16.5613 -3.7634 -3.7634 -3.5233 -3.5233 -3.4884 -3.4884 -2.8603 -2.8603 -2.6215 -2.6215 -2.4964 -2.4964 -2.4320 -2.4320 -2.2038 -2.2038 -1.9827 -1.9827 -1.7412 -1.7412 -1.6713 -1.6713 -1.5781 -1.5781 -1.2893 -1.2893 -1.1684 -1.1684 -0.9931 -0.9931 -0.9111 -0.9111 -0.8206 -0.8206 -0.6724 -0.6724 3.5882 3.5882 3.8336 3.8336 3.8909 3.8909 5.9433 5.9433 6.0686 6.0686 8.9798 8.9798 k = 0.3750-0.2165-0.6124 ( 11068 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.7888 -20.7888 -20.6699 -20.6699 -20.4301 -20.4301 -20.4154 -20.4154 -20.3426 -20.3426 -20.1546 -20.1546 -16.9901 -16.9901 -16.6770 -16.6770 -16.5600 -16.5600 -3.7702 -3.7702 -3.5455 -3.5455 -3.5030 -3.5030 -2.8788 -2.8788 -2.6024 -2.6024 -2.4721 -2.4721 -2.4249 -2.4249 -2.1916 -2.1916 -1.9779 -1.9779 -1.7485 -1.7485 -1.6850 -1.6850 -1.5425 -1.5425 -1.2865 -1.2865 -1.1695 -1.1695 -1.0001 -1.0001 -0.9191 -0.9191 -0.8282 -0.8282 -0.6642 -0.6642 3.5857 3.5857 3.8284 3.8284 3.8951 3.8951 5.9349 5.9349 6.0580 6.0580 8.9760 8.9760 k = 0.6250 0.0722-0.4082 ( 11068 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.7889 -20.7889 -20.6699 -20.6699 -20.4301 -20.4301 -20.4154 -20.4154 -20.3426 -20.3426 -20.1546 -20.1546 -16.9901 -16.9901 -16.6770 -16.6770 -16.5600 -16.5600 -3.7702 -3.7702 -3.5455 -3.5455 -3.5030 -3.5030 -2.8788 -2.8788 -2.6024 -2.6024 -2.4721 -2.4721 -2.4249 -2.4249 -2.1915 -2.1915 -1.9779 -1.9779 -1.7485 -1.7485 -1.6850 -1.6850 -1.5425 -1.5425 -1.2865 -1.2865 -1.1695 -1.1695 -1.0001 -1.0001 -0.9191 -0.9191 -0.8282 -0.8282 -0.6642 -0.6642 3.5857 3.5857 3.8284 3.8284 3.8951 3.8951 5.9349 5.9349 6.0580 6.0580 8.9760 8.9760 k = 0.6161 0.0876-0.4082 ( 11072 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.7824 -20.7824 -20.6644 -20.6644 -20.4299 -20.4299 -20.4128 -20.4128 -20.3506 -20.3506 -20.1648 -20.1648 -16.9882 -16.9882 -16.6753 -16.6753 -16.5587 -16.5587 -3.7773 -3.7773 -3.5654 -3.5654 -3.5169 -3.5169 -2.8964 -2.8964 -2.5837 -2.5837 -2.4495 -2.4495 -2.4182 -2.4182 -2.1793 -2.1793 -1.9744 -1.9744 -1.7565 -1.7565 -1.6983 -1.6983 -1.5078 -1.5078 -1.2834 -1.2834 -1.1701 -1.1701 -1.0069 -1.0069 -0.9256 -0.9256 -0.8355 -0.8355 -0.6566 -0.6566 3.5829 3.5829 3.8234 3.8234 3.8990 3.8990 5.9268 5.9268 6.0476 6.0476 8.9682 8.9682 k = 0.6071 0.1031-0.4082 ( 11066 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.7758 -20.7758 -20.6589 -20.6589 -20.4297 -20.4297 -20.4099 -20.4099 -20.3586 -20.3586 -20.1754 -20.1754 -16.9864 -16.9864 -16.6735 -16.6735 -16.5574 -16.5574 -3.7849 -3.7849 -3.5835 -3.5835 -3.5303 -3.5303 -2.9131 -2.9131 -2.5651 -2.5651 -2.4280 -2.4280 -2.4119 -2.4119 -2.1670 -2.1670 -1.9722 -1.9722 -1.7648 -1.7648 -1.7111 -1.7111 -1.4742 -1.4742 -1.2800 -1.2800 -1.1705 -1.1705 -1.0139 -1.0139 -0.9307 -0.9307 -0.8426 -0.8426 -0.6495 -0.6495 3.5799 3.5799 3.8186 3.8186 3.9027 3.9027 5.9188 5.9188 6.0375 6.0375 8.9579 8.9579 k = 0.5982 0.1186-0.4082 ( 11070 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.7692 -20.7692 -20.6534 -20.6534 -20.4295 -20.4295 -20.4066 -20.4066 -20.3666 -20.3666 -20.1863 -20.1863 -16.9846 -16.9846 -16.6719 -16.6719 -16.5561 -16.5561 -3.7928 -3.7928 -3.5997 -3.5997 -3.5430 -3.5430 -2.9290 -2.9290 -2.5467 -2.5467 -2.4083 -2.4083 -2.4055 -2.4055 -2.1548 -2.1548 -1.9713 -1.9713 -1.7732 -1.7732 -1.7233 -1.7233 -1.4422 -1.4422 -1.2764 -1.2764 -1.1705 -1.1705 -1.0208 -1.0208 -0.9345 -0.9345 -0.8494 -0.8494 -0.6429 -0.6429 3.5768 3.5768 3.8139 3.8139 3.9062 3.9062 5.9111 5.9111 6.0276 6.0276 8.9464 8.9464 k = 0.5893 0.1340-0.4082 ( 11066 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.7627 -20.7627 -20.6480 -20.6480 -20.4294 -20.4294 -20.4029 -20.4029 -20.3744 -20.3744 -20.1974 -20.1974 -16.9828 -16.9828 -16.6703 -16.6703 -16.5548 -16.5548 -3.8010 -3.8010 -3.6139 -3.6139 -3.5550 -3.5550 -2.9438 -2.9438 -2.5287 -2.5287 -2.4009 -2.4009 -2.3887 -2.3887 -2.1429 -2.1429 -1.9717 -1.9717 -1.7815 -1.7815 -1.7345 -1.7345 -1.4122 -1.4122 -1.2727 -1.2727 -1.1703 -1.1703 -1.0278 -1.0278 -0.9370 -0.9370 -0.8559 -0.8559 -0.6370 -0.6370 3.5735 3.5735 3.8094 3.8094 3.9094 3.9094 5.9038 5.9038 6.0181 6.0181 8.9343 8.9343 k = 0.5804 0.1495-0.4082 ( 11064 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.7563 -20.7563 -20.6427 -20.6427 -20.4294 -20.4294 -20.3988 -20.3988 -20.3820 -20.3820 -20.2087 -20.2087 -16.9812 -16.9812 -16.6689 -16.6689 -16.5535 -16.5535 -3.8094 -3.8094 -3.6263 -3.6263 -3.5662 -3.5662 -2.9574 -2.9574 -2.5112 -2.5112 -2.3959 -2.3959 -2.3715 -2.3715 -2.1313 -2.1313 -1.9733 -1.9733 -1.7896 -1.7896 -1.7448 -1.7448 -1.3844 -1.3844 -1.2691 -1.2691 -1.1699 -1.1699 -1.0346 -1.0346 -0.9383 -0.9383 -0.8619 -0.8619 -0.6316 -0.6316 3.5701 3.5701 3.8053 3.8053 3.9123 3.9123 5.8968 5.8968 6.0092 6.0092 8.9222 8.9222 k = 0.5714 0.1650-0.4082 ( 11060 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.7501 -20.7501 -20.6378 -20.6378 -20.4294 -20.4294 -20.3946 -20.3946 -20.3889 -20.3889 -20.2200 -20.2200 -16.9797 -16.9797 -16.6675 -16.6675 -16.5523 -16.5523 -3.8177 -3.8177 -3.6368 -3.6368 -3.5764 -3.5764 -2.9697 -2.9697 -2.4944 -2.4944 -2.3914 -2.3914 -2.3559 -2.3559 -2.1204 -2.1204 -1.9760 -1.9760 -1.7973 -1.7973 -1.7538 -1.7538 -1.3592 -1.3592 -1.2655 -1.2655 -1.1693 -1.1693 -1.0412 -1.0412 -0.9388 -0.9388 -0.8675 -0.8675 -0.6268 -0.6268 3.5669 3.5669 3.8016 3.8016 3.9150 3.9150 5.8903 5.8903 6.0009 6.0009 8.9107 8.9107 k = 0.5625 0.1804-0.4082 ( 11060 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5044 -32.5044 -20.7442 -20.7442 -20.6332 -20.6332 -20.4295 -20.4295 -20.3965 -20.3965 -20.3887 -20.3887 -20.2312 -20.2312 -16.9784 -16.9784 -16.6663 -16.6663 -16.5512 -16.5512 -3.8256 -3.8256 -3.6456 -3.6456 -3.5856 -3.5856 -2.9807 -2.9807 -2.4786 -2.4786 -2.3875 -2.3875 -2.3420 -2.3420 -2.1102 -2.1102 -1.9797 -1.9797 -1.8046 -1.8046 -1.7617 -1.7617 -1.3367 -1.3367 -1.2619 -1.2619 -1.1686 -1.1686 -1.0473 -1.0473 -0.9385 -0.9385 -0.8726 -0.8726 -0.6226 -0.6226 3.5637 3.5637 3.7982 3.7982 3.9174 3.9174 5.8844 5.8844 5.9933 5.9933 8.8999 8.8999 k = 0.5536 0.1959-0.4082 ( 11046 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5044 -32.5044 -20.7387 -20.7387 -20.6290 -20.6290 -20.4297 -20.4297 -20.4024 -20.4024 -20.3836 -20.3836 -20.2421 -20.2421 -16.9771 -16.9771 -16.6652 -16.6652 -16.5502 -16.5502 -3.8331 -3.8331 -3.6529 -3.6529 -3.5937 -3.5937 -2.9904 -2.9904 -2.4639 -2.4639 -2.3842 -2.3842 -2.3298 -2.3298 -2.1008 -2.1008 -1.9840 -1.9840 -1.8113 -1.8113 -1.7683 -1.7683 -1.3172 -1.3172 -1.2585 -1.2585 -1.1679 -1.1679 -1.0529 -1.0529 -0.9378 -0.9378 -0.8770 -0.8770 -0.6191 -0.6191 3.5608 3.5608 3.7952 3.7952 3.9194 3.9194 5.8791 5.8791 5.9866 5.9866 8.8902 8.8902 k = 0.5446 0.2114-0.4082 ( 11058 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5044 -32.5044 -20.7339 -20.7339 -20.6254 -20.6254 -20.4300 -20.4300 -20.4077 -20.4077 -20.3780 -20.3780 -20.2526 -20.2526 -16.9761 -16.9761 -16.6643 -16.6643 -16.5494 -16.5494 -3.8398 -3.8398 -3.6588 -3.6588 -3.6007 -3.6007 -2.9986 -2.9986 -2.4507 -2.4507 -2.3814 -2.3814 -2.3194 -2.3194 -2.0925 -2.0925 -1.9887 -1.9887 -1.8172 -1.8172 -1.7738 -1.7738 -1.3009 -1.3009 -1.2551 -1.2551 -1.1671 -1.1671 -1.0579 -1.0579 -0.9369 -0.9369 -0.8809 -0.8809 -0.6161 -0.6161 3.5582 3.5582 3.7927 3.7927 3.9212 3.9212 5.8745 5.8745 5.9807 5.9807 8.8817 8.8817 k = 0.5357 0.2268-0.4082 ( 11054 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5044 -32.5044 -20.7296 -20.7296 -20.6223 -20.6223 -20.4305 -20.4305 -20.4120 -20.4120 -20.3724 -20.3724 -20.2624 -20.2624 -16.9752 -16.9752 -16.6635 -16.6635 -16.5486 -16.5486 -3.8455 -3.8455 -3.6634 -3.6634 -3.6065 -3.6065 -3.0054 -3.0054 -2.4392 -2.4392 -2.3792 -2.3792 -2.3109 -2.3109 -2.0853 -2.0853 -1.9933 -1.9933 -1.8223 -1.8223 -1.7782 -1.7782 -1.2880 -1.2880 -1.2517 -1.2517 -1.1664 -1.1664 -1.0621 -1.0621 -0.9358 -0.9358 -0.8840 -0.8840 -0.6137 -0.6137 3.5559 3.5559 3.7906 3.7906 3.9227 3.9227 5.8707 5.8707 5.9759 5.9759 8.8746 8.8746 k = 0.5268 0.2423-0.4082 ( 11036 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5044 -32.5044 -20.7262 -20.7262 -20.6198 -20.6198 -20.4311 -20.4311 -20.4153 -20.4153 -20.3670 -20.3670 -20.2711 -20.2711 -16.9745 -16.9745 -16.6629 -16.6629 -16.5481 -16.5481 -3.8502 -3.8502 -3.6669 -3.6669 -3.6110 -3.6110 -3.0106 -3.0106 -2.4297 -2.4297 -2.3775 -2.3775 -2.3043 -2.3043 -2.0796 -2.0796 -1.9975 -1.9975 -1.8264 -1.8264 -1.7815 -1.7815 -1.2786 -1.2786 -1.2484 -1.2484 -1.1658 -1.1658 -1.0654 -1.0654 -0.9348 -0.9348 -0.8865 -0.8865 -0.6119 -0.6119 3.5541 3.5541 3.7890 3.7890 3.9238 3.9238 5.8677 5.8677 5.9720 5.9720 8.8689 8.8689 k = 0.5179 0.2577-0.4082 ( 11040 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5044 -32.5044 -20.7237 -20.7237 -20.6181 -20.6181 -20.4318 -20.4318 -20.4175 -20.4175 -20.3622 -20.3622 -20.2782 -20.2782 -16.9740 -16.9740 -16.6624 -16.6624 -16.5476 -16.5476 -3.8536 -3.8536 -3.6693 -3.6693 -3.6142 -3.6142 -3.0144 -3.0144 -2.4227 -2.4227 -2.3764 -2.3764 -2.2995 -2.2995 -2.0753 -2.0753 -2.0008 -2.0008 -1.8294 -1.8294 -1.7838 -1.7838 -1.2724 -1.2724 -1.2454 -1.2454 -1.1654 -1.1654 -1.0679 -1.0679 -0.9340 -0.9340 -0.8883 -0.8883 -0.6105 -0.6105 3.5528 3.5528 3.7878 3.7878 3.9246 3.9246 5.8655 5.8655 5.9692 5.9692 8.8649 8.8649 k = 0.5089 0.2732-0.4082 ( 11056 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5044 -32.5044 -20.7221 -20.7221 -20.6170 -20.6170 -20.4324 -20.4324 -20.4187 -20.4187 -20.3589 -20.3589 -20.2830 -20.2830 -16.9738 -16.9738 -16.6622 -16.6622 -16.5474 -16.5474 -3.8557 -3.8557 -3.6707 -3.6707 -3.6162 -3.6162 -3.0167 -3.0167 -2.4183 -2.4183 -2.3758 -2.3758 -2.2966 -2.2966 -2.0727 -2.0727 -2.0029 -2.0029 -1.8313 -1.8313 -1.7851 -1.7851 -1.2690 -1.2690 -1.2432 -1.2432 -1.1651 -1.1651 -1.0694 -1.0694 -0.9335 -0.9335 -0.8893 -0.8893 -0.6098 -0.6098 3.5520 3.5520 3.7871 3.7871 3.9251 3.9251 5.8642 5.8642 5.9675 5.9675 8.8624 8.8624 k = 0.5000 0.2887-0.4082 ( 11094 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5044 -32.5044 -20.7216 -20.7216 -20.6166 -20.6166 -20.4326 -20.4326 -20.4191 -20.4191 -20.3577 -20.3577 -20.2847 -20.2847 -16.9737 -16.9737 -16.6621 -16.6621 -16.5473 -16.5473 -3.8564 -3.8564 -3.6712 -3.6712 -3.6169 -3.6169 -3.0175 -3.0175 -2.4168 -2.4168 -2.3756 -2.3756 -2.2957 -2.2957 -2.0718 -2.0718 -2.0037 -2.0037 -1.8319 -1.8319 -1.7856 -1.7856 -1.2680 -1.2680 -1.2424 -1.2424 -1.1650 -1.1650 -1.0699 -1.0699 -0.9333 -0.9333 -0.8897 -0.8897 -0.6095 -0.6095 3.5517 3.5517 3.7869 3.7869 3.9253 3.9253 5.8637 5.8637 5.9670 5.9670 8.8616 8.8616 k = 0.5000 0.2887-0.4082 ( 11094 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5044 -32.5044 -20.7216 -20.7216 -20.6166 -20.6166 -20.4326 -20.4326 -20.4191 -20.4191 -20.3577 -20.3577 -20.2847 -20.2847 -16.9737 -16.9737 -16.6621 -16.6621 -16.5473 -16.5473 -3.8564 -3.8564 -3.6712 -3.6712 -3.6169 -3.6169 -3.0175 -3.0175 -2.4168 -2.4168 -2.3756 -2.3756 -2.2957 -2.2957 -2.0718 -2.0718 -2.0037 -2.0037 -1.8319 -1.8319 -1.7856 -1.7856 -1.2680 -1.2680 -1.2424 -1.2424 -1.1650 -1.1650 -1.0699 -1.0699 -0.9333 -0.9333 -0.8897 -0.8897 -0.6095 -0.6095 3.5517 3.5517 3.7869 3.7869 3.9253 3.9253 5.8637 5.8637 5.9670 5.9670 8.8616 8.8616 k = 0.5089 0.2938-0.3937 ( 11056 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5044 -32.5044 -20.7238 -20.7238 -20.6147 -20.6147 -20.4337 -20.4337 -20.4191 -20.4191 -20.3566 -20.3566 -20.2841 -20.2841 -16.9737 -16.9737 -16.6621 -16.6621 -16.5474 -16.5474 -3.8556 -3.8556 -3.6708 -3.6708 -3.6161 -3.6161 -3.0170 -3.0170 -2.4174 -2.4174 -2.3762 -2.3762 -2.2965 -2.2965 -2.0750 -2.0750 -2.0019 -2.0019 -1.8315 -1.8315 -1.7850 -1.7850 -1.2682 -1.2682 -1.2427 -1.2427 -1.1641 -1.1641 -1.0702 -1.0702 -0.9344 -0.9344 -0.8891 -0.8891 -0.6097 -0.6097 3.5518 3.5518 3.7870 3.7870 3.9252 3.9252 5.8641 5.8641 5.9678 5.9678 8.8618 8.8618 k = 0.5179 0.2990-0.3791 ( 11040 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5044 -32.5044 -20.7298 -20.7298 -20.6095 -20.6095 -20.4368 -20.4368 -20.4193 -20.4193 -20.3533 -20.3533 -20.2826 -20.2826 -16.9740 -16.9740 -16.6623 -16.6623 -16.5479 -16.5479 -3.8534 -3.8534 -3.6695 -3.6695 -3.6137 -3.6137 -3.0155 -3.0155 -2.4191 -2.4191 -2.3780 -2.3780 -2.2989 -2.2989 -2.0836 -2.0836 -1.9976 -1.9976 -1.8302 -1.8302 -1.7831 -1.7831 -1.2687 -1.2687 -1.2435 -1.2435 -1.1616 -1.1616 -1.0710 -1.0710 -0.9376 -0.9376 -0.8874 -0.8874 -0.6104 -0.6104 3.5521 3.5521 3.7872 3.7872 3.9249 3.9249 5.8653 5.8653 5.9703 5.9703 8.8624 8.8624 k = 0.5268 0.3041-0.3645 ( 11036 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5044 -32.5044 -20.7388 -20.7388 -20.6020 -20.6020 -20.4415 -20.4415 -20.4196 -20.4196 -20.3485 -20.3485 -20.2800 -20.2800 -16.9744 -16.9744 -16.6626 -16.6626 -16.5486 -16.5486 -3.8498 -3.8498 -3.6674 -3.6674 -3.6099 -3.6099 -3.0130 -3.0130 -2.4219 -2.4219 -2.3811 -2.3811 -2.3030 -2.3030 -2.0957 -2.0957 -1.9925 -1.9925 -1.8281 -1.8281 -1.7799 -1.7799 -1.2697 -1.2697 -1.2448 -1.2448 -1.1576 -1.1576 -1.0723 -1.0723 -0.9430 -0.9430 -0.8845 -0.8845 -0.6115 -0.6115 3.5527 3.5527 3.7875 3.7875 3.9244 3.9244 5.8672 5.8672 5.9745 5.9745 8.8634 8.8634 k = 0.5357 0.3093-0.3499 ( 11054 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5044 -32.5044 -20.7496 -20.7496 -20.5931 -20.5931 -20.4473 -20.4473 -20.4200 -20.4200 -20.3424 -20.3424 -20.2765 -20.2765 -16.9750 -16.9750 -16.6630 -16.6630 -16.5495 -16.5495 -3.8449 -3.8449 -3.6643 -3.6643 -3.6044 -3.6044 -3.0095 -3.0095 -2.4258 -2.4258 -2.3855 -2.3855 -2.3087 -2.3087 -2.1101 -2.1101 -1.9882 -1.9882 -1.8253 -1.8253 -1.7754 -1.7754 -1.2711 -1.2711 -1.2463 -1.2463 -1.1521 -1.1521 -1.0741 -1.0741 -0.9504 -0.9504 -0.8807 -0.8807 -0.6130 -0.6130 3.5534 3.5534 3.7880 3.7880 3.9238 3.9238 5.8698 5.8698 5.9803 5.9803 8.8647 8.8647 k = 0.5446 0.3144-0.3353 ( 11058 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5044 -32.5044 -20.7617 -20.7617 -20.5836 -20.5836 -20.4538 -20.4538 -20.4205 -20.4205 -20.3357 -20.3357 -20.2720 -20.2720 -16.9757 -16.9757 -16.6635 -16.6635 -16.5508 -16.5508 -3.8388 -3.8388 -3.6601 -3.6601 -3.5975 -3.5975 -3.0052 -3.0052 -2.4308 -2.4308 -2.3911 -2.3911 -2.3161 -2.3161 -2.1259 -2.1259 -1.9852 -1.9852 -1.8217 -1.8217 -1.7694 -1.7694 -1.2729 -1.2729 -1.2479 -1.2479 -1.1455 -1.1455 -1.0762 -1.0762 -0.9598 -0.9598 -0.8758 -0.8758 -0.6149 -0.6149 3.5543 3.5543 3.7885 3.7885 3.9230 3.9230 5.8732 5.8732 5.9877 5.9877 8.8659 8.8659 k = 0.5536 0.3196-0.3208 ( 11046 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5044 -32.5044 -20.7744 -20.7744 -20.5739 -20.5739 -20.4606 -20.4606 -20.4211 -20.4211 -20.3284 -20.3284 -20.2666 -20.2666 -16.9766 -16.9766 -16.6641 -16.6641 -16.5522 -16.5522 -3.8318 -3.8318 -3.6548 -3.6548 -3.5890 -3.5890 -2.9999 -2.9999 -2.4368 -2.4368 -2.3978 -2.3978 -2.3251 -2.3251 -2.1427 -2.1427 -1.9839 -1.9839 -1.8175 -1.8175 -1.7619 -1.7619 -1.2752 -1.2752 -1.2495 -1.2495 -1.1379 -1.1379 -1.0786 -1.0786 -0.9709 -0.9709 -0.8701 -0.8701 -0.6172 -0.6172 3.5554 3.5554 3.7892 3.7892 3.9219 3.9219 5.8772 5.8772 5.9964 5.9964 8.8670 8.8670 k = 0.5625 0.3248-0.3062 ( 11060 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5044 -32.5044 -20.7875 -20.7875 -20.5644 -20.5644 -20.4677 -20.4677 -20.4218 -20.4218 -20.3209 -20.3209 -20.2603 -20.2603 -16.9776 -16.9776 -16.6649 -16.6649 -16.5539 -16.5539 -3.8239 -3.8239 -3.6481 -3.6481 -3.5791 -3.5791 -2.9937 -2.9937 -2.4438 -2.4438 -2.4058 -2.4058 -2.3358 -2.3358 -2.1601 -2.1601 -1.9846 -1.9846 -1.8128 -1.8128 -1.7530 -1.7530 -1.2781 -1.2781 -1.2508 -1.2508 -1.1293 -1.1293 -1.0811 -1.0811 -0.9834 -0.9834 -0.8636 -0.8636 -0.6198 -0.6198 3.5566 3.5566 3.7901 3.7901 3.9207 3.9207 5.8818 5.8818 6.0066 6.0066 8.8676 8.8676 k = 0.5714 0.3299-0.2916 ( 11060 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8008 -20.8008 -20.5552 -20.5552 -20.4748 -20.4748 -20.4225 -20.4225 -20.3133 -20.3133 -20.2533 -20.2533 -16.9787 -16.9787 -16.6657 -16.6657 -16.5557 -16.5557 -3.8155 -3.8155 -3.6400 -3.6400 -3.5678 -3.5678 -2.9868 -2.9868 -2.4518 -2.4518 -2.4150 -2.4150 -2.3481 -2.3481 -2.1779 -2.1779 -1.9871 -1.9871 -1.8075 -1.8075 -1.7429 -1.7429 -1.2817 -1.2817 -1.2518 -1.2518 -1.1201 -1.1201 -1.0836 -1.0836 -0.9972 -0.9972 -0.8565 -0.8565 -0.6228 -0.6228 3.5578 3.5578 3.7910 3.7910 3.9193 3.9193 5.8870 5.8870 6.0180 6.0180 8.8673 8.8673 k = 0.5804 0.3351-0.2770 ( 11064 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8139 -20.8139 -20.5465 -20.5465 -20.4819 -20.4819 -20.4232 -20.4232 -20.3056 -20.3056 -20.2457 -20.2457 -16.9800 -16.9800 -16.6667 -16.6667 -16.5576 -16.5576 -3.8068 -3.8068 -3.6302 -3.6302 -3.5551 -3.5551 -2.9791 -2.9791 -2.4607 -2.4607 -2.4254 -2.4254 -2.3621 -2.3621 -2.1960 -2.1960 -1.9913 -1.9913 -1.8017 -1.8017 -1.7317 -1.7317 -1.2859 -1.2859 -1.2524 -1.2524 -1.1106 -1.1106 -1.0860 -1.0860 -1.0117 -1.0117 -0.8489 -0.8489 -0.6261 -0.6261 3.5592 3.5592 3.7920 3.7920 3.9177 3.9177 5.8926 5.8926 6.0305 6.0305 8.8657 8.8657 k = 0.5893 0.3402-0.2624 ( 11066 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8269 -20.8269 -20.5383 -20.5383 -20.4889 -20.4889 -20.4240 -20.4240 -20.2980 -20.2980 -20.2375 -20.2375 -16.9814 -16.9814 -16.6677 -16.6677 -16.5597 -16.5597 -3.7981 -3.7981 -3.6185 -3.6185 -3.5410 -3.5410 -2.9708 -2.9708 -2.4704 -2.4704 -2.4370 -2.4370 -2.3776 -2.3776 -2.2142 -2.2142 -1.9970 -1.9970 -1.7954 -1.7954 -1.7197 -1.7197 -1.2911 -1.2911 -1.2526 -1.2526 -1.1014 -1.1014 -1.0875 -1.0875 -1.0264 -1.0264 -0.8409 -0.8409 -0.6297 -0.6297 3.5605 3.5605 3.7931 3.7931 3.9159 3.9159 5.8987 5.8987 6.0439 6.0439 8.8624 8.8624 k = 0.5982 0.3454-0.2479 ( 11070 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8396 -20.8396 -20.5308 -20.5308 -20.4956 -20.4956 -20.4248 -20.4248 -20.2906 -20.2906 -20.2289 -20.2289 -16.9828 -16.9828 -16.6689 -16.6689 -16.5619 -16.5619 -3.7896 -3.7896 -3.6050 -3.6050 -3.5257 -3.5257 -2.9619 -2.9619 -2.4809 -2.4809 -2.4496 -2.4496 -2.3947 -2.3947 -2.2324 -2.2324 -2.0042 -2.0042 -1.7886 -1.7886 -1.7071 -1.7071 -1.2973 -1.2973 -1.2524 -1.2524 -1.0961 -1.0961 -1.0854 -1.0854 -1.0404 -1.0404 -0.8327 -0.8327 -0.6334 -0.6334 3.5618 3.5618 3.7942 3.7942 3.9138 3.9138 5.9052 5.9052 6.0582 6.0582 8.8569 8.8569 k = 0.6071 0.3505-0.2333 ( 11066 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8520 -20.8520 -20.5240 -20.5240 -20.5019 -20.5019 -20.4256 -20.4256 -20.2833 -20.2833 -20.2199 -20.2199 -16.9844 -16.9844 -16.6701 -16.6701 -16.5640 -16.5640 -3.7815 -3.7815 -3.5894 -3.5894 -3.5092 -3.5092 -2.9526 -2.9526 -2.4922 -2.4922 -2.4634 -2.4634 -2.4132 -2.4132 -2.2505 -2.2505 -2.0125 -2.0125 -1.7813 -1.7813 -1.6940 -1.6940 -1.3046 -1.3046 -1.2517 -1.2517 -1.0964 -1.0964 -1.0802 -1.0802 -1.0509 -1.0509 -0.8244 -0.8244 -0.6372 -0.6372 3.5631 3.5631 3.7954 3.7954 3.9116 3.9116 5.9119 5.9119 6.0731 6.0731 8.8485 8.8485 k = 0.6161 0.3557-0.2187 ( 11072 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8638 -20.8638 -20.5185 -20.5185 -20.5071 -20.5071 -20.4264 -20.4264 -20.2762 -20.2762 -20.2108 -20.2108 -16.9860 -16.9860 -16.6714 -16.6714 -16.5662 -16.5662 -3.7739 -3.7739 -3.5719 -3.5719 -3.4916 -3.4916 -2.9428 -2.9428 -2.5041 -2.5041 -2.4783 -2.4783 -2.4332 -2.4332 -2.2684 -2.2684 -2.0218 -2.0218 -1.7735 -1.7735 -1.6806 -1.6806 -1.3133 -1.3133 -1.2506 -1.2506 -1.0980 -1.0980 -1.0826 -1.0826 -1.0510 -1.0510 -0.8160 -0.8160 -0.6410 -0.6410 3.5642 3.5642 3.7966 3.7966 3.9091 3.9091 5.9189 5.9189 6.0885 6.0885 8.8369 8.8369 k = 0.6250 0.3608-0.2041 ( 11068 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8752 -20.8752 -20.5178 -20.5178 -20.5080 -20.5080 -20.4271 -20.4271 -20.2695 -20.2695 -20.2015 -20.2015 -16.9877 -16.9877 -16.6728 -16.6728 -16.5683 -16.5683 -3.7669 -3.7669 -3.5526 -3.5526 -3.4729 -3.4729 -2.9329 -2.9329 -2.5168 -2.5168 -2.4941 -2.4941 -2.4544 -2.4544 -2.2861 -2.2861 -2.0320 -2.0320 -1.7653 -1.7653 -1.6671 -1.6671 -1.3234 -1.3234 -1.2492 -1.2492 -1.0999 -1.0999 -1.0918 -1.0918 -1.0421 -1.0421 -0.8077 -0.8077 -0.6447 -0.6447 3.5653 3.5653 3.7979 3.7979 3.9064 3.9064 5.9260 5.9260 6.1041 6.1041 8.8216 8.8216 k = 0.6250 0.3608-0.2041 ( 11068 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8752 -20.8752 -20.5178 -20.5178 -20.5080 -20.5080 -20.4271 -20.4271 -20.2695 -20.2695 -20.2015 -20.2015 -16.9877 -16.9877 -16.6728 -16.6728 -16.5683 -16.5683 -3.7669 -3.7669 -3.5526 -3.5526 -3.4729 -3.4729 -2.9329 -2.9329 -2.5168 -2.5168 -2.4941 -2.4941 -2.4544 -2.4544 -2.2861 -2.2861 -2.0320 -2.0320 -1.7653 -1.7653 -1.6671 -1.6671 -1.3234 -1.3234 -1.2492 -1.2492 -1.0999 -1.0999 -1.0918 -1.0918 -1.0421 -1.0421 -0.8077 -0.8077 -0.6447 -0.6447 3.5653 3.5653 3.7979 3.7979 3.9064 3.9064 5.9260 5.9260 6.1041 6.1041 8.8216 8.8216 k = 0.6198 0.3578-0.1871 ( 11076 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8870 -20.8870 -20.5195 -20.5195 -20.4925 -20.4925 -20.4348 -20.4348 -20.2655 -20.2655 -20.1972 -20.1972 -16.9886 -16.9886 -16.6732 -16.6732 -16.5704 -16.5704 -3.7597 -3.7597 -3.5414 -3.5414 -3.4610 -3.4610 -2.9271 -2.9271 -2.5332 -2.5332 -2.5022 -2.5022 -2.4694 -2.4694 -2.3057 -2.3057 -2.0465 -2.0465 -1.7400 -1.7400 -1.6382 -1.6382 -1.3377 -1.3377 -1.2489 -1.2489 -1.1125 -1.1125 -1.1040 -1.1040 -1.0296 -1.0296 -0.8012 -0.8012 -0.6449 -0.6449 3.5648 3.5648 3.7984 3.7984 3.9026 3.9026 5.9340 5.9340 6.1137 6.1137 8.7899 8.7899 k = 0.6146 0.3548-0.1701 ( 11075 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5408 -32.5408 -32.5043 -32.5043 -20.8987 -20.8987 -20.5227 -20.5227 -20.4767 -20.4767 -20.4413 -20.4413 -20.2616 -20.2616 -20.1926 -20.1926 -16.9896 -16.9896 -16.6737 -16.6737 -16.5726 -16.5726 -3.7503 -3.7503 -3.5293 -3.5293 -3.4486 -3.4486 -2.9211 -2.9211 -2.5503 -2.5503 -2.5114 -2.5114 -2.4851 -2.4851 -2.3243 -2.3243 -2.0641 -2.0641 -1.7138 -1.7138 -1.6092 -1.6092 -1.3532 -1.3532 -1.2485 -1.2485 -1.1249 -1.1249 -1.1160 -1.1160 -1.0164 -1.0164 -0.7953 -0.7953 -0.6445 -0.6445 3.5641 3.5641 3.7990 3.7990 3.8984 3.8984 5.9438 5.9438 6.1234 6.1234 8.7558 8.7558 k = 0.6094 0.3518-0.1531 ( 11081 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5043 -32.5043 -20.9103 -20.9103 -20.5260 -20.5260 -20.4668 -20.4668 -20.4417 -20.4417 -20.2579 -20.2579 -20.1879 -20.1879 -16.9907 -16.9907 -16.6743 -16.6743 -16.5750 -16.5750 -3.7387 -3.7387 -3.5163 -3.5163 -3.4356 -3.4356 -2.9152 -2.9152 -2.5679 -2.5679 -2.5219 -2.5219 -2.5014 -2.5014 -2.3417 -2.3417 -2.0843 -2.0843 -1.6871 -1.6871 -1.5804 -1.5804 -1.3697 -1.3697 -1.2480 -1.2480 -1.1370 -1.1370 -1.1277 -1.1277 -1.0027 -1.0027 -0.7902 -0.7902 -0.6432 -0.6432 3.5632 3.5632 3.7995 3.7995 3.8938 3.8938 5.9554 5.9554 6.1331 6.1331 8.7204 8.7204 k = 0.6042 0.3488-0.1361 ( 11078 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5043 -32.5043 -20.9218 -20.9218 -20.5292 -20.5292 -20.4686 -20.4686 -20.4305 -20.4305 -20.2543 -20.2543 -20.1829 -20.1829 -16.9920 -16.9920 -16.6750 -16.6750 -16.5775 -16.5775 -3.7248 -3.7248 -3.5026 -3.5026 -3.4223 -3.4223 -2.9092 -2.9092 -2.5856 -2.5856 -2.5334 -2.5334 -2.5182 -2.5182 -2.3579 -2.3579 -2.1069 -2.1069 -1.6601 -1.6601 -1.5522 -1.5522 -1.3870 -1.3870 -1.2475 -1.2475 -1.1486 -1.1486 -1.1391 -1.1391 -0.9887 -0.9887 -0.7860 -0.7860 -0.6412 -0.6412 3.5621 3.5621 3.8001 3.8001 3.8890 3.8890 5.9687 5.9687 6.1428 6.1428 8.6845 8.6845 k = 0.5990 0.3458-0.1191 ( 11090 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5043 -32.5043 -20.9331 -20.9331 -20.5323 -20.5323 -20.4751 -20.4751 -20.4144 -20.4144 -20.2508 -20.2508 -20.1780 -20.1780 -16.9933 -16.9933 -16.6758 -16.6758 -16.5802 -16.5802 -3.7087 -3.7087 -3.4884 -3.4884 -3.4084 -3.4084 -2.9032 -2.9032 -2.6033 -2.6033 -2.5460 -2.5460 -2.5357 -2.5357 -2.3728 -2.3728 -2.1318 -2.1318 -1.6331 -1.6331 -1.5252 -1.5252 -1.4044 -1.4044 -1.2472 -1.2472 -1.1597 -1.1597 -1.1501 -1.1501 -0.9747 -0.9747 -0.7829 -0.7829 -0.6383 -0.6383 3.5609 3.5609 3.8006 3.8006 3.8840 3.8840 5.9835 5.9835 6.1524 6.1524 8.6486 8.6486 k = 0.5937 0.3428-0.1021 ( 11095 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.9440 -20.9440 -20.5353 -20.5353 -20.4827 -20.4827 -20.3975 -20.3975 -20.2474 -20.2474 -20.1730 -20.1730 -16.9948 -16.9948 -16.6766 -16.6766 -16.5829 -16.5829 -3.6903 -3.6903 -3.4736 -3.4736 -3.3942 -3.3942 -2.8974 -2.8974 -2.6207 -2.6207 -2.5594 -2.5594 -2.5536 -2.5536 -2.3866 -2.3866 -2.1587 -2.1587 -1.6063 -1.6063 -1.5008 -1.5008 -1.4205 -1.4205 -1.2471 -1.2471 -1.1702 -1.1702 -1.1606 -1.1606 -0.9608 -0.9608 -0.7807 -0.7807 -0.6345 -0.6345 3.5595 3.5595 3.8012 3.8012 3.8788 3.8788 5.9997 5.9997 6.1619 6.1619 8.6133 8.6133 k = 0.5885 0.3398-0.0851 ( 11095 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.9547 -20.9547 -20.5382 -20.5382 -20.4903 -20.4903 -20.3806 -20.3806 -20.2442 -20.2442 -20.1680 -20.1680 -16.9963 -16.9963 -16.6775 -16.6775 -16.5858 -16.5858 -3.6696 -3.6696 -3.4584 -3.4584 -3.3796 -3.3796 -2.8915 -2.8915 -2.6378 -2.6378 -2.5738 -2.5738 -2.5719 -2.5719 -2.3991 -2.3991 -2.1875 -2.1875 -1.5799 -1.5799 -1.4842 -1.4842 -1.4302 -1.4302 -1.2473 -1.2473 -1.1802 -1.1802 -1.1703 -1.1703 -0.9470 -0.9470 -0.7796 -0.7796 -0.6300 -0.6300 3.5580 3.5580 3.8018 3.8018 3.8735 3.8735 6.0171 6.0171 6.1712 6.1712 8.5788 8.5788 k = 0.5833 0.3368-0.0680 ( 11087 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.9651 -20.9651 -20.5409 -20.5409 -20.4978 -20.4978 -20.3640 -20.3640 -20.2411 -20.2411 -20.1631 -20.1631 -16.9978 -16.9978 -16.6785 -16.6785 -16.5886 -16.5886 -3.6468 -3.6468 -3.4428 -3.4428 -3.3647 -3.3647 -2.8858 -2.8858 -2.6543 -2.6543 -2.5908 -2.5908 -2.5885 -2.5885 -2.4106 -2.4106 -2.2179 -2.2179 -1.5544 -1.5544 -1.4856 -1.4856 -1.4229 -1.4229 -1.2479 -1.2479 -1.1898 -1.1898 -1.1790 -1.1790 -0.9336 -0.9336 -0.7794 -0.7794 -0.6249 -0.6249 3.5563 3.5563 3.8023 3.8023 3.8681 3.8681 6.0355 6.0355 6.1804 6.1804 8.5453 8.5453 k = 0.5781 0.3338-0.0510 ( 11088 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.9751 -20.9751 -20.5435 -20.5435 -20.5050 -20.5050 -20.3479 -20.3479 -20.2382 -20.2382 -20.1584 -20.1584 -16.9994 -16.9994 -16.6794 -16.6794 -16.5916 -16.5916 -3.6220 -3.6220 -3.4269 -3.4269 -3.3494 -3.3494 -2.8803 -2.8803 -2.6703 -2.6703 -2.6097 -2.6097 -2.6040 -2.6040 -2.4210 -2.4210 -2.2499 -2.2499 -1.5306 -1.5306 -1.4991 -1.4991 -1.4038 -1.4038 -1.2493 -1.2493 -1.1991 -1.1991 -1.1862 -1.1862 -0.9205 -0.9205 -0.7800 -0.7800 -0.6193 -0.6193 3.5545 3.5545 3.8029 3.8029 3.8627 3.8627 6.0547 6.0547 6.1892 6.1892 8.5132 8.5132 k = 0.5729 0.3308-0.0340 ( 11093 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.9846 -20.9846 -20.5460 -20.5460 -20.5118 -20.5118 -20.3324 -20.3324 -20.2354 -20.2354 -20.1537 -20.1537 -17.0010 -17.0010 -16.6804 -16.6804 -16.5945 -16.5945 -3.5952 -3.5952 -3.4109 -3.4109 -3.3340 -3.3340 -2.8748 -2.8748 -2.6855 -2.6855 -2.6289 -2.6289 -2.6199 -2.6199 -2.4304 -2.4304 -2.2833 -2.2833 -1.5235 -1.5235 -1.5006 -1.5006 -1.3821 -1.3821 -1.2513 -1.2513 -1.2082 -1.2082 -1.1917 -1.1917 -0.9079 -0.9079 -0.7813 -0.7813 -0.6134 -0.6134 3.5526 3.5526 3.8035 3.8035 3.8574 3.8574 6.0745 6.0745 6.1978 6.1978 8.4825 8.4825 k = 0.5677 0.3278-0.0170 ( 11087 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.9937 -20.9937 -20.5484 -20.5484 -20.5182 -20.5182 -20.3176 -20.3176 -20.2328 -20.2328 -20.1492 -20.1492 -17.0027 -17.0027 -16.6814 -16.6814 -16.5973 -16.5973 -3.5666 -3.5666 -3.3947 -3.3947 -3.3183 -3.3183 -2.8695 -2.8695 -2.7000 -2.7000 -2.6482 -2.6482 -2.6362 -2.6362 -2.4388 -2.4388 -2.3179 -2.3179 -1.5408 -1.5408 -1.4798 -1.4798 -1.3606 -1.3606 -1.2541 -1.2541 -1.2170 -1.2170 -1.1954 -1.1954 -0.8959 -0.8959 -0.7832 -0.7832 -0.6073 -0.6073 3.5507 3.5507 3.8040 3.8040 3.8522 3.8522 6.0945 6.0945 6.2060 6.2060 8.4535 8.4535 k = 0.5625 0.3248 0.0000 ( 11085 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -21.0022 -21.0022 -20.5507 -20.5507 -20.5241 -20.5241 -20.3036 -20.3036 -20.2303 -20.2303 -20.1448 -20.1448 -17.0043 -17.0043 -16.6824 -16.6824 -16.6001 -16.6001 -3.5365 -3.5365 -3.3785 -3.3785 -3.3025 -3.3025 -2.8642 -2.8642 -2.7136 -2.7136 -2.6674 -2.6674 -2.6527 -2.6527 -2.4464 -2.4464 -2.3536 -2.3536 -1.5600 -1.5600 -1.4583 -1.4583 -1.3402 -1.3402 -1.2574 -1.2574 -1.2254 -1.2254 -1.1975 -1.1975 -0.8845 -0.8845 -0.7854 -0.7854 -0.6012 -0.6012 3.5487 3.5487 3.8045 3.8045 3.8472 3.8472 6.1145 6.1145 6.2138 6.2138 8.4261 8.4261 k = 0.5573 0.3218 0.0170 ( 11081 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -21.0102 -21.0102 -20.5528 -20.5528 -20.5296 -20.5296 -20.2905 -20.2905 -20.2279 -20.2279 -20.1407 -20.1407 -17.0059 -17.0059 -16.6834 -16.6834 -16.6028 -16.6028 -3.5051 -3.5051 -3.3623 -3.3623 -3.2867 -3.2867 -2.8591 -2.8591 -2.7264 -2.7264 -2.6864 -2.6864 -2.6693 -2.6693 -2.4533 -2.4533 -2.3901 -2.3901 -1.5791 -1.5791 -1.4380 -1.4380 -1.3216 -1.3216 -1.2610 -1.2610 -1.2331 -1.2331 -1.1982 -1.1982 -0.8739 -0.8739 -0.7880 -0.7880 -0.5952 -0.5952 3.5467 3.5467 3.8050 3.8050 3.8424 3.8424 6.1342 6.1342 6.2212 6.2212 8.4006 8.4006 k = 0.5521 0.3187 0.0340 ( 11075 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0177 -21.0177 -20.5549 -20.5549 -20.5346 -20.5346 -20.2784 -20.2784 -20.2257 -20.2257 -20.1368 -20.1368 -17.0074 -17.0074 -16.6844 -16.6844 -16.6054 -16.6054 -3.4728 -3.4728 -3.3460 -3.3460 -3.2710 -3.2710 -2.8540 -2.8540 -2.7383 -2.7383 -2.7051 -2.7051 -2.6861 -2.6861 -2.4597 -2.4597 -2.4268 -2.4268 -1.5975 -1.5975 -1.4190 -1.4190 -1.3057 -1.3057 -1.2641 -1.2641 -1.2396 -1.2396 -1.1977 -1.1977 -0.8641 -0.8641 -0.7907 -0.7907 -0.5893 -0.5893 3.5448 3.5448 3.8054 3.8054 3.8379 3.8379 6.1535 6.1535 6.2281 6.2281 8.3770 8.3770 k = 0.5469 0.3157 0.0510 ( 11073 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0245 -21.0245 -20.5569 -20.5569 -20.5390 -20.5390 -20.2673 -20.2673 -20.2236 -20.2236 -20.1331 -20.1331 -17.0089 -17.0089 -16.6853 -16.6853 -16.6078 -16.6078 -3.4401 -3.4401 -3.3296 -3.3296 -3.2555 -3.2555 -2.8489 -2.8489 -2.7493 -2.7493 -2.7232 -2.7232 -2.7030 -2.7030 -2.4715 -2.4715 -2.4578 -2.4578 -1.6149 -1.6149 -1.4017 -1.4017 -1.2942 -1.2942 -1.2660 -1.2660 -1.2441 -1.2441 -1.1964 -1.1964 -0.8551 -0.8551 -0.7935 -0.7935 -0.5838 -0.5838 3.5429 3.5429 3.8057 3.8057 3.8338 3.8338 6.1719 6.1719 6.2345 6.2345 8.3554 8.3554 k = 0.5417 0.3127 0.0680 ( 11079 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0307 -21.0307 -20.5587 -20.5587 -20.5429 -20.5429 -20.2575 -20.2575 -20.2216 -20.2216 -20.1297 -20.1297 -17.0103 -17.0103 -16.6861 -16.6861 -16.6100 -16.6100 -3.4077 -3.4077 -3.3129 -3.3129 -3.2404 -3.2404 -2.8437 -2.8437 -2.7598 -2.7598 -2.7403 -2.7403 -2.7198 -2.7198 -2.5051 -2.5051 -2.4664 -2.4664 -1.6310 -1.6310 -1.3860 -1.3860 -1.2888 -1.2888 -1.2671 -1.2671 -1.2442 -1.2442 -1.1943 -1.1943 -0.8471 -0.8471 -0.7962 -0.7962 -0.5787 -0.5787 3.5411 3.5411 3.8058 3.8058 3.8301 3.8301 6.1892 6.1892 6.2403 6.2403 8.3358 8.3358 k = 0.5365 0.3097 0.0851 ( 11095 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0363 -21.0363 -20.5605 -20.5605 -20.5462 -20.5462 -20.2489 -20.2489 -20.2197 -20.2197 -20.1266 -20.1266 -17.0116 -17.0116 -16.6870 -16.6870 -16.6120 -16.6120 -3.3769 -3.3769 -3.2953 -3.2953 -3.2259 -3.2259 -2.8383 -2.8383 -2.7701 -2.7701 -2.7555 -2.7555 -2.7366 -2.7366 -2.5419 -2.5419 -2.4705 -2.4705 -1.6457 -1.6457 -1.3722 -1.3722 -1.2885 -1.2885 -1.2692 -1.2692 -1.2390 -1.2390 -1.1916 -1.1916 -0.8401 -0.8401 -0.7987 -0.7987 -0.5740 -0.5740 3.5394 3.5394 3.8058 3.8058 3.8269 3.8269 6.2051 6.2051 6.2456 6.2456 8.3184 8.3184 k = 0.5312 0.3067 0.1021 ( 11088 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0411 -21.0411 -20.5622 -20.5622 -20.5489 -20.5489 -20.2416 -20.2416 -20.2178 -20.2178 -20.1238 -20.1238 -17.0127 -17.0127 -16.6877 -16.6877 -16.6138 -16.6138 -3.3494 -3.3494 -3.2759 -3.2759 -3.2121 -3.2121 -2.8328 -2.8328 -2.7814 -2.7814 -2.7676 -2.7676 -2.7530 -2.7530 -2.5780 -2.5780 -2.4737 -2.4737 -1.6588 -1.6588 -1.3603 -1.3603 -1.2903 -1.2903 -1.2725 -1.2725 -1.2315 -1.2315 -1.1885 -1.1885 -0.8342 -0.8342 -0.8007 -0.8007 -0.5698 -0.5698 3.5379 3.5379 3.8056 3.8056 3.8242 3.8242 6.2194 6.2194 6.2503 6.2503 8.3032 8.3032 k = 0.5260 0.3037 0.1191 ( 11097 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0452 -21.0452 -20.5638 -20.5638 -20.5511 -20.5511 -20.2357 -20.2357 -20.2158 -20.2158 -20.1213 -20.1213 -17.0137 -17.0137 -16.6883 -16.6883 -16.6154 -16.6154 -3.3268 -3.3268 -3.2541 -3.2541 -3.1994 -3.1994 -2.8271 -2.8271 -2.7936 -2.7936 -2.7767 -2.7767 -2.7686 -2.7686 -2.6124 -2.6124 -2.4762 -2.4762 -1.6701 -1.6701 -1.3504 -1.3504 -1.2926 -1.2926 -1.2758 -1.2758 -1.2241 -1.2241 -1.1850 -1.1850 -0.8296 -0.8296 -0.8023 -0.8023 -0.5662 -0.5662 3.5366 3.5366 3.8053 3.8053 3.8221 3.8221 6.2319 6.2319 6.2544 6.2544 8.2902 8.2902 k = 0.5208 0.3007 0.1361 ( 11093 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0487 -21.0487 -20.5651 -20.5651 -20.5528 -20.5528 -20.2312 -20.2312 -20.2139 -20.2139 -20.1193 -20.1193 -17.0146 -17.0146 -16.6889 -16.6889 -16.6167 -16.6167 -3.3098 -3.3098 -3.2304 -3.2304 -3.1880 -3.1880 -2.8215 -2.8215 -2.8052 -2.8052 -2.7876 -2.7876 -2.7789 -2.7789 -2.6441 -2.6441 -2.4781 -2.4781 -1.6796 -1.6796 -1.3424 -1.3424 -1.2948 -1.2948 -1.2786 -1.2786 -1.2180 -1.2180 -1.1816 -1.1816 -0.8263 -0.8263 -0.8032 -0.8032 -0.5632 -0.5632 3.5354 3.5354 3.8048 3.8048 3.8205 3.8205 6.2421 6.2421 6.2580 6.2580 8.2795 8.2795 k = 0.5156 0.2977 0.1531 ( 11095 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0513 -21.0513 -20.5663 -20.5663 -20.5541 -20.5541 -20.2281 -20.2281 -20.2120 -20.2120 -20.1176 -20.1176 -17.0152 -17.0152 -16.6893 -16.6893 -16.6177 -16.6177 -3.2977 -3.2977 -3.2075 -3.2075 -3.1782 -3.1782 -2.8179 -2.8179 -2.8147 -2.8147 -2.8001 -2.8001 -2.7831 -2.7831 -2.6719 -2.6719 -2.4795 -2.4795 -1.6870 -1.6870 -1.3364 -1.3364 -1.2967 -1.2967 -1.2808 -1.2808 -1.2132 -1.2132 -1.1784 -1.1784 -0.8242 -0.8242 -0.8035 -0.8035 -0.5608 -0.5608 3.5345 3.5345 3.8043 3.8043 3.8194 3.8194 6.2500 6.2500 6.2611 6.2611 8.2712 8.2712 k = 0.5104 0.2947 0.1701 ( 11087 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0532 -21.0532 -20.5671 -20.5671 -20.5549 -20.5549 -20.2261 -20.2261 -20.2105 -20.2105 -20.1164 -20.1164 -17.0157 -17.0157 -16.6896 -16.6896 -16.6184 -16.6184 -3.2896 -3.2896 -3.1888 -3.1888 -3.1698 -3.1698 -2.8232 -2.8232 -2.8195 -2.8195 -2.8053 -2.8053 -2.7843 -2.7843 -2.6945 -2.6945 -2.4805 -2.4805 -1.6924 -1.6924 -1.3322 -1.3322 -1.2982 -1.2982 -1.2823 -1.2823 -1.2099 -1.2099 -1.1758 -1.1758 -0.8231 -0.8231 -0.8033 -0.8033 -0.5591 -0.5591 3.5339 3.5339 3.8038 3.8038 3.8187 3.8187 6.2552 6.2552 6.2639 6.2639 8.2652 8.2652 k = 0.5052 0.2917 0.1871 ( 11074 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0544 -21.0544 -20.5676 -20.5676 -20.5554 -20.5554 -20.2250 -20.2250 -20.2094 -20.2094 -20.1157 -20.1157 -17.0160 -17.0160 -16.6898 -16.6898 -16.6188 -16.6188 -3.2850 -3.2850 -3.1777 -3.1777 -3.1628 -3.1628 -2.8279 -2.8279 -2.8265 -2.8265 -2.8043 -2.8043 -2.7832 -2.7832 -2.7099 -2.7099 -2.4811 -2.4811 -1.6956 -1.6956 -1.3297 -1.3297 -1.2991 -1.2991 -1.2832 -1.2832 -1.2079 -1.2079 -1.1742 -1.1742 -0.8227 -0.8227 -0.8030 -0.8030 -0.5581 -0.5581 3.5335 3.5335 3.8035 3.8035 3.8184 3.8184 6.2580 6.2580 6.2659 6.2659 8.2616 8.2616 k = 0.5000 0.2887 0.2041 ( 11054 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1751 -33.1751 -32.5406 -32.5406 -32.5041 -32.5041 -21.0548 -21.0548 -20.5678 -20.5678 -20.5556 -20.5556 -20.2246 -20.2246 -20.2091 -20.2091 -20.1154 -20.1154 -17.0161 -17.0161 -16.6899 -16.6899 -16.6190 -16.6190 -3.2834 -3.2834 -3.1743 -3.1743 -3.1598 -3.1598 -2.8298 -2.8298 -2.8291 -2.8291 -2.8038 -2.8038 -2.7823 -2.7823 -2.7156 -2.7156 -2.4813 -2.4813 -1.6967 -1.6967 -1.3289 -1.3289 -1.2994 -1.2994 -1.2834 -1.2834 -1.2073 -1.2073 -1.1736 -1.1736 -0.8226 -0.8226 -0.8029 -0.8029 -0.5577 -0.5577 3.5333 3.5333 3.8034 3.8034 3.8182 3.8182 6.2588 6.2588 6.2667 6.2667 8.2604 8.2604 k = 0.5000-0.2887-0.2041 ( 11054 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9164 -20.9164 -20.6980 -20.6980 -20.5553 -20.5553 -20.2992 -20.2992 -20.2211 -20.2211 -20.0472 -20.0472 -17.0237 -17.0237 -16.7094 -16.7094 -16.5845 -16.5845 -3.3807 -3.3807 -3.2438 -3.2438 -3.2346 -3.2346 -2.9083 -2.9083 -2.8109 -2.8109 -2.7169 -2.7169 -2.5268 -2.5268 -2.2705 -2.2705 -2.1858 -2.1858 -2.0809 -2.0809 -2.0221 -2.0221 -1.4849 -1.4849 -1.2246 -1.2246 -1.0476 -1.0476 -0.8522 -0.8522 -0.8070 -0.8070 -0.7584 -0.7584 -0.7079 -0.7079 3.5901 3.5901 3.8080 3.8080 3.9023 3.9023 6.1275 6.1275 6.2399 6.2399 8.7221 8.7221 k = 0.5104-0.2766-0.1956 ( 11074 PWs) bands (ev): -56.5161 -56.5161 -35.9666 -35.9666 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9163 -20.9163 -20.6976 -20.6976 -20.5553 -20.5553 -20.2994 -20.2994 -20.2212 -20.2212 -20.0477 -20.0477 -17.0236 -17.0236 -16.7093 -16.7093 -16.5845 -16.5845 -3.3832 -3.3832 -3.2448 -3.2448 -3.2359 -3.2359 -2.9059 -2.9059 -2.8111 -2.8111 -2.7161 -2.7161 -2.5267 -2.5267 -2.2693 -2.2693 -2.1875 -2.1875 -2.0782 -2.0782 -2.0215 -2.0215 -1.4844 -1.4844 -1.2246 -1.2246 -1.0478 -1.0478 -0.8528 -0.8528 -0.8082 -0.8082 -0.7580 -0.7580 -0.7078 -0.7078 3.5901 3.5901 3.8080 3.8080 3.9023 3.9023 6.1267 6.1267 6.2396 6.2396 8.7222 8.7222 k = 0.5208-0.2646-0.1871 ( 11087 PWs) bands (ev): -56.5161 -56.5161 -35.9666 -35.9666 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9159 -20.9159 -20.6965 -20.6965 -20.5550 -20.5550 -20.3002 -20.3002 -20.2215 -20.2215 -20.0490 -20.0490 -17.0232 -17.0232 -16.7090 -16.7090 -16.5843 -16.5843 -3.3903 -3.3903 -3.2478 -3.2478 -3.2393 -3.2393 -2.8992 -2.8992 -2.8118 -2.8118 -2.7135 -2.7135 -2.5265 -2.5265 -2.2658 -2.2658 -2.1923 -2.1923 -2.0704 -2.0704 -2.0194 -2.0194 -1.4828 -1.4828 -1.2248 -1.2248 -1.0485 -1.0485 -0.8546 -0.8546 -0.8118 -0.8118 -0.7571 -0.7571 -0.7074 -0.7074 3.5899 3.5899 3.8079 3.8079 3.9024 3.9024 6.1242 6.1242 6.2387 6.2387 8.7227 8.7227 k = 0.5312-0.2526-0.1786 ( 11095 PWs) bands (ev): -56.5161 -56.5161 -35.9666 -35.9666 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9152 -20.9152 -20.6946 -20.6946 -20.5547 -20.5547 -20.3015 -20.3015 -20.2219 -20.2219 -20.0512 -20.0512 -17.0226 -17.0226 -16.7084 -16.7084 -16.5840 -16.5840 -3.4019 -3.4019 -3.2531 -3.2531 -3.2444 -3.2444 -2.8887 -2.8887 -2.8128 -2.8128 -2.7094 -2.7094 -2.5262 -2.5262 -2.2602 -2.2602 -2.1988 -2.1988 -2.0589 -2.0589 -2.0158 -2.0158 -1.4801 -1.4801 -1.2252 -1.2252 -1.0496 -1.0496 -0.8576 -0.8576 -0.8173 -0.8173 -0.7559 -0.7559 -0.7067 -0.7067 3.5896 3.5896 3.8078 3.8078 3.9025 3.9025 6.1201 6.1201 6.2372 6.2372 8.7237 8.7237 k = 0.5417-0.2406-0.1701 ( 11093 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9142 -20.9142 -20.6920 -20.6920 -20.5542 -20.5542 -20.3033 -20.3033 -20.2226 -20.2226 -20.0542 -20.0542 -17.0218 -17.0218 -16.7077 -16.7077 -16.5837 -16.5837 -3.4173 -3.4173 -3.2606 -3.2606 -3.2506 -3.2506 -2.8756 -2.8756 -2.8137 -2.8137 -2.7038 -2.7038 -2.5257 -2.5257 -2.2529 -2.2529 -2.2059 -2.2059 -2.0449 -2.0449 -2.0107 -2.0107 -1.4764 -1.4764 -1.2256 -1.2256 -1.0511 -1.0511 -0.8618 -0.8618 -0.8244 -0.8244 -0.7548 -0.7548 -0.7057 -0.7057 3.5892 3.5892 3.8077 3.8077 3.9027 3.9027 6.1145 6.1145 6.2352 6.2352 8.7255 8.7255 k = 0.5521-0.2285-0.1616 ( 11097 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9130 -20.9130 -20.6886 -20.6886 -20.5535 -20.5535 -20.3056 -20.3056 -20.2234 -20.2234 -20.0580 -20.0580 -17.0207 -17.0207 -16.7067 -16.7067 -16.5832 -16.5832 -3.4359 -3.4359 -3.2701 -3.2701 -3.2578 -3.2578 -2.8614 -2.8614 -2.8139 -2.8139 -2.6967 -2.6967 -2.5251 -2.5251 -2.2449 -2.2449 -2.2121 -2.2121 -2.0297 -2.0297 -2.0034 -2.0034 -1.4717 -1.4717 -1.2262 -1.2262 -1.0530 -1.0530 -0.8671 -0.8671 -0.8328 -0.8328 -0.7541 -0.7541 -0.7044 -0.7044 3.5887 3.5887 3.8075 3.8075 3.9028 3.9028 6.1075 6.1075 6.2325 6.2325 8.7283 8.7283 k = 0.5625-0.2165-0.1531 ( 11088 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9115 -20.9115 -20.6845 -20.6845 -20.5527 -20.5527 -20.3085 -20.3085 -20.2244 -20.2244 -20.0626 -20.0626 -17.0195 -17.0195 -16.7056 -16.7056 -16.5826 -16.5826 -3.4571 -3.4571 -3.2811 -3.2811 -3.2659 -3.2659 -2.8490 -2.8490 -2.8109 -2.8109 -2.6883 -2.6883 -2.5244 -2.5244 -2.2393 -2.2393 -2.2143 -2.2143 -2.0148 -2.0148 -1.9931 -1.9931 -1.4660 -1.4660 -1.2269 -1.2269 -1.0552 -1.0552 -0.8736 -0.8736 -0.8424 -0.8424 -0.7538 -0.7538 -0.7027 -0.7027 3.5881 3.5881 3.8073 3.8073 3.9031 3.9031 6.0991 6.0991 6.2293 6.2293 8.7322 8.7322 k = 0.5729-0.2045-0.1446 ( 11095 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1751 -33.1751 -32.5407 -32.5407 -32.5041 -32.5041 -20.9099 -20.9099 -20.6797 -20.6797 -20.5518 -20.5518 -20.3118 -20.3118 -20.2255 -20.2255 -20.0680 -20.0680 -17.0180 -17.0180 -16.7042 -16.7042 -16.5819 -16.5819 -3.4800 -3.4800 -3.2933 -3.2933 -3.2749 -3.2749 -2.8425 -2.8425 -2.8012 -2.8012 -2.6788 -2.6788 -2.5235 -2.5235 -2.2401 -2.2401 -2.2082 -2.2082 -2.0019 -2.0019 -1.9786 -1.9786 -1.4594 -1.4594 -1.2277 -1.2277 -1.0577 -1.0577 -0.8811 -0.8811 -0.8530 -0.8530 -0.7540 -0.7540 -0.7008 -0.7008 3.5873 3.5873 3.8071 3.8071 3.9033 3.9033 6.0895 6.0895 6.2256 6.2256 8.7371 8.7371 k = 0.5833-0.1924-0.1361 ( 11079 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5041 -32.5041 -20.9080 -20.9080 -20.6741 -20.6741 -20.5507 -20.5507 -20.3157 -20.3157 -20.2269 -20.2269 -20.0739 -20.0739 -17.0164 -17.0164 -16.7028 -16.7028 -16.5812 -16.5812 -3.5041 -3.5041 -3.3065 -3.3065 -3.2846 -3.2846 -2.8421 -2.8421 -2.7852 -2.7852 -2.6683 -2.6683 -2.5225 -2.5225 -2.2450 -2.2450 -2.1965 -2.1965 -1.9906 -1.9906 -1.9605 -1.9605 -1.4519 -1.4519 -1.2286 -1.2286 -1.0605 -1.0605 -0.8897 -0.8897 -0.8644 -0.8644 -0.7549 -0.7549 -0.6986 -0.6986 3.5865 3.5865 3.8068 3.8068 3.9036 3.9036 6.0790 6.0790 6.2214 6.2214 8.7430 8.7430 k = 0.5937-0.1804-0.1276 ( 11073 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.9060 -20.9060 -20.6678 -20.6678 -20.5495 -20.5495 -20.3201 -20.3201 -20.2284 -20.2284 -20.0805 -20.0805 -17.0147 -17.0147 -16.7011 -16.7011 -16.5804 -16.5804 -3.5289 -3.5289 -3.3206 -3.3206 -3.2951 -3.2951 -2.8447 -2.8447 -2.7662 -2.7662 -2.6570 -2.6570 -2.5214 -2.5214 -2.2508 -2.2508 -2.1827 -2.1827 -1.9797 -1.9797 -1.9406 -1.9406 -1.4436 -1.4436 -1.2296 -1.2296 -1.0634 -1.0634 -0.8994 -0.8994 -0.8766 -0.8766 -0.7563 -0.7563 -0.6961 -0.6961 3.5856 3.5856 3.8065 3.8065 3.9039 3.9039 6.0676 6.0676 6.2166 6.2166 8.7499 8.7499 k = 0.6042-0.1684-0.1191 ( 11075 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.9039 -20.9039 -20.6608 -20.6608 -20.5481 -20.5481 -20.3250 -20.3250 -20.2301 -20.2301 -20.0876 -20.0876 -17.0128 -17.0128 -16.6994 -16.6994 -16.5795 -16.5795 -3.5537 -3.5537 -3.3353 -3.3353 -3.3061 -3.3061 -2.8487 -2.8487 -2.7459 -2.7459 -2.6449 -2.6449 -2.5202 -2.5202 -2.2564 -2.2564 -2.1678 -2.1678 -1.9683 -1.9683 -1.9197 -1.9197 -1.4347 -1.4347 -1.2307 -1.2307 -1.0664 -1.0664 -0.9100 -0.9100 -0.8893 -0.8893 -0.7582 -0.7582 -0.6934 -0.6934 3.5846 3.5846 3.8062 3.8062 3.9043 3.9043 6.0555 6.0555 6.2114 6.2114 8.7575 8.7576 k = 0.6146-0.1564-0.1106 ( 11081 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.9017 -20.9017 -20.6530 -20.6530 -20.5466 -20.5466 -20.3303 -20.3303 -20.2319 -20.2319 -20.0951 -20.0951 -17.0109 -17.0109 -16.6975 -16.6975 -16.5786 -16.5786 -3.5784 -3.5784 -3.3506 -3.3506 -3.3176 -3.3176 -2.8535 -2.8535 -2.7251 -2.7251 -2.6322 -2.6322 -2.5189 -2.5189 -2.2617 -2.2617 -2.1526 -2.1526 -1.9564 -1.9564 -1.8985 -1.8985 -1.4251 -1.4251 -1.2318 -1.2318 -1.0695 -1.0695 -0.9214 -0.9214 -0.9026 -0.9026 -0.7606 -0.7606 -0.6906 -0.6906 3.5835 3.5835 3.8058 3.8058 3.9046 3.9046 6.0430 6.0430 6.2057 6.2057 8.7659 8.7659 k = 0.6250-0.1443-0.1021 ( 11085 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8993 -20.8993 -20.6446 -20.6446 -20.5450 -20.5450 -20.3362 -20.3362 -20.2340 -20.2340 -20.1031 -20.1031 -17.0089 -17.0089 -16.6955 -16.6955 -16.5777 -16.5777 -3.6023 -3.6023 -3.3663 -3.3663 -3.3295 -3.3295 -2.8588 -2.8588 -2.7043 -2.7043 -2.6191 -2.6191 -2.5176 -2.5176 -2.2665 -2.2665 -2.1373 -2.1373 -1.9439 -1.9439 -1.8772 -1.8772 -1.4151 -1.4151 -1.2330 -1.2330 -1.0726 -1.0726 -0.9338 -0.9338 -0.9162 -0.9162 -0.7634 -0.7634 -0.6875 -0.6875 3.5824 3.5824 3.8054 3.8054 3.9050 3.9050 6.0302 6.0302 6.1996 6.1996 8.7747 8.7747 k = 0.6354-0.1323-0.0936 ( 11087 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8970 -20.8970 -20.6356 -20.6356 -20.5432 -20.5432 -20.3424 -20.3424 -20.2361 -20.2361 -20.1113 -20.1113 -17.0069 -17.0069 -16.6935 -16.6935 -16.5767 -16.5767 -3.6254 -3.6254 -3.3823 -3.3823 -3.3416 -3.3416 -2.8645 -2.8645 -2.6835 -2.6835 -2.6057 -2.6057 -2.5161 -2.5161 -2.2707 -2.2707 -2.1223 -2.1223 -1.9307 -1.9307 -1.8561 -1.8561 -1.4046 -1.4046 -1.2342 -1.2342 -1.0755 -1.0755 -0.9468 -0.9468 -0.9301 -0.9301 -0.7666 -0.7666 -0.6843 -0.6843 3.5811 3.5811 3.8050 3.8050 3.9053 3.9053 6.0175 6.0175 6.1930 6.1930 8.7837 8.7837 k = 0.6458-0.1203-0.0851 ( 11093 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8946 -20.8946 -20.6259 -20.6259 -20.5413 -20.5413 -20.3492 -20.3492 -20.2385 -20.2385 -20.1198 -20.1198 -17.0048 -17.0048 -16.6914 -16.6914 -16.5758 -16.5758 -3.6473 -3.6473 -3.3986 -3.3986 -3.3540 -3.3540 -2.8705 -2.8705 -2.6631 -2.6631 -2.5921 -2.5921 -2.5146 -2.5146 -2.2744 -2.2744 -2.1078 -2.1078 -1.9170 -1.9170 -1.8354 -1.8354 -1.3939 -1.3939 -1.2354 -1.2354 -1.0783 -1.0783 -0.9605 -0.9605 -0.9441 -0.9441 -0.7702 -0.7702 -0.6810 -0.6810 3.5798 3.5798 3.8045 3.8045 3.9057 3.9057 6.0048 6.0048 6.1861 6.1861 8.7928 8.7928 k = 0.6562-0.1083-0.0765 ( 11088 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8922 -20.8922 -20.6157 -20.6157 -20.5392 -20.5392 -20.3563 -20.3563 -20.2409 -20.2409 -20.1284 -20.1284 -17.0027 -17.0027 -16.6893 -16.6893 -16.5748 -16.5748 -3.6678 -3.6678 -3.4149 -3.4149 -3.3664 -3.3664 -2.8766 -2.8766 -2.6430 -2.6430 -2.5785 -2.5785 -2.5130 -2.5130 -2.2775 -2.2775 -2.0940 -2.0940 -1.9027 -1.9027 -1.8152 -1.8152 -1.3832 -1.3832 -1.2367 -1.2367 -1.0810 -1.0810 -0.9747 -0.9747 -0.9581 -0.9581 -0.7739 -0.7739 -0.6776 -0.6776 3.5785 3.5785 3.8040 3.8040 3.9060 3.9060 5.9926 5.9926 6.1789 6.1789 8.8017 8.8017 k = 0.6667-0.0962-0.0680 ( 11087 PWs) bands (ev): -56.5161 -56.5161 -35.9665 -35.9665 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8899 -20.8899 -20.6050 -20.6050 -20.5370 -20.5370 -20.3637 -20.3637 -20.2436 -20.2436 -20.1371 -20.1371 -17.0007 -17.0007 -16.6872 -16.6872 -16.5739 -16.5739 -3.6866 -3.6866 -3.4313 -3.4313 -3.3788 -3.3788 -2.8829 -2.8829 -2.6234 -2.6234 -2.5649 -2.5649 -2.5113 -2.5113 -2.2800 -2.2800 -2.0812 -2.0812 -1.8881 -1.8881 -1.7957 -1.7957 -1.3726 -1.3726 -1.2379 -1.2379 -1.0833 -1.0833 -0.9892 -0.9892 -0.9719 -0.9719 -0.7778 -0.7778 -0.6741 -0.6741 3.5771 3.5771 3.8035 3.8035 3.9063 3.9063 5.9809 5.9809 6.1713 6.1713 8.8101 8.8101 k = 0.6771-0.0842-0.0595 ( 11095 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8876 -20.8876 -20.5938 -20.5938 -20.5346 -20.5346 -20.3714 -20.3714 -20.2464 -20.2464 -20.1458 -20.1458 -16.9987 -16.9987 -16.6851 -16.6851 -16.5730 -16.5730 -3.7038 -3.7038 -3.4477 -3.4477 -3.3913 -3.3913 -2.8892 -2.8892 -2.6045 -2.6045 -2.5518 -2.5518 -2.5094 -2.5094 -2.2821 -2.2821 -2.0695 -2.0695 -1.8730 -1.8730 -1.7769 -1.7769 -1.3624 -1.3624 -1.2392 -1.2392 -1.0854 -1.0854 -1.0040 -1.0040 -0.9853 -0.9853 -0.7819 -0.7819 -0.6705 -0.6705 3.5757 3.5757 3.8029 3.8029 3.9066 3.9066 5.9699 5.9699 6.1635 6.1635 8.8178 8.8178 k = 0.6875-0.0722-0.0510 ( 11095 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5042 -32.5042 -20.8854 -20.8854 -20.5823 -20.5823 -20.5321 -20.5321 -20.3794 -20.3794 -20.2493 -20.2493 -20.1545 -20.1545 -16.9968 -16.9968 -16.6831 -16.6831 -16.5721 -16.5721 -3.7190 -3.7190 -3.4638 -3.4638 -3.4036 -3.4036 -2.8957 -2.8957 -2.5861 -2.5861 -2.5394 -2.5394 -2.5069 -2.5069 -2.2836 -2.2836 -2.0592 -2.0592 -1.8577 -1.8577 -1.7588 -1.7588 -1.3528 -1.3528 -1.2405 -1.2405 -1.0873 -1.0873 -1.0187 -1.0187 -0.9981 -0.9981 -0.7860 -0.7860 -0.6669 -0.6669 3.5743 3.5743 3.8023 3.8023 3.9068 3.9068 5.9599 5.9599 6.1554 6.1554 8.8245 8.8245 k = 0.6979-0.0601-0.0425 ( 11090 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5043 -32.5043 -20.8834 -20.8834 -20.5705 -20.5705 -20.5295 -20.5295 -20.3876 -20.3876 -20.2523 -20.2523 -20.1630 -20.1630 -16.9950 -16.9950 -16.6811 -16.6811 -16.5713 -16.5713 -3.7322 -3.7322 -3.4797 -3.4797 -3.4158 -3.4158 -2.9021 -2.9021 -2.5685 -2.5685 -2.5288 -2.5288 -2.5031 -2.5031 -2.2848 -2.2848 -2.0504 -2.0504 -1.8422 -1.8422 -1.7415 -1.7415 -1.3440 -1.3440 -1.2418 -1.2418 -1.0888 -1.0888 -1.0334 -1.0334 -1.0099 -1.0099 -0.7900 -0.7900 -0.6632 -0.6632 3.5728 3.5728 3.8016 3.8016 3.9069 3.9069 5.9509 5.9509 6.1472 6.1472 8.8298 8.8298 k = 0.7083-0.0481-0.0340 ( 11078 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5407 -32.5407 -32.5043 -32.5043 -20.8814 -20.8814 -20.5585 -20.5585 -20.5267 -20.5267 -20.3958 -20.3958 -20.2555 -20.2555 -20.1714 -20.1714 -16.9933 -16.9933 -16.6792 -16.6792 -16.5706 -16.5706 -3.7434 -3.7434 -3.4953 -3.4953 -3.4277 -3.4277 -2.9084 -2.9084 -2.5518 -2.5518 -2.5213 -2.5213 -2.4966 -2.4966 -2.2856 -2.2856 -2.0432 -2.0432 -1.8267 -1.8267 -1.7251 -1.7251 -1.3365 -1.3365 -1.2431 -1.2431 -1.0902 -1.0902 -1.0477 -1.0477 -1.0204 -1.0204 -0.7940 -0.7940 -0.6595 -0.6595 3.5713 3.5713 3.8010 3.8010 3.9070 3.9070 5.9432 5.9432 6.1387 6.1387 8.8334 8.8334 k = 0.7187-0.0361-0.0255 ( 11081 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5408 -32.5408 -32.5043 -32.5043 -20.8796 -20.8796 -20.5466 -20.5466 -20.5236 -20.5236 -20.4040 -20.4040 -20.2588 -20.2588 -20.1795 -20.1795 -16.9917 -16.9917 -16.6774 -16.6774 -16.5699 -16.5699 -3.7525 -3.7525 -3.5105 -3.5105 -3.4395 -3.4395 -2.9147 -2.9147 -2.5361 -2.5361 -2.5172 -2.5172 -2.4874 -2.4874 -2.2860 -2.2860 -2.0377 -2.0377 -1.8111 -1.8111 -1.7094 -1.7094 -1.3304 -1.3304 -1.2445 -1.2445 -1.0913 -1.0913 -1.0615 -1.0615 -1.0291 -1.0291 -0.7979 -0.7979 -0.6558 -0.6558 3.5698 3.5698 3.8003 3.8003 3.9070 3.9070 5.9367 5.9367 6.1302 6.1302 8.8348 8.8348 k = 0.7292-0.0241-0.0170 ( 11075 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1752 -33.1752 -32.5408 -32.5408 -32.5043 -32.5043 -20.8779 -20.8779 -20.5350 -20.5350 -20.5201 -20.5201 -20.4121 -20.4121 -20.2623 -20.2623 -20.1873 -20.1873 -16.9902 -16.9902 -16.6757 -16.6757 -16.5693 -16.5693 -3.7594 -3.7594 -3.5252 -3.5252 -3.4509 -3.4509 -2.9209 -2.9209 -2.5221 -2.5221 -2.5147 -2.5147 -2.4766 -2.4766 -2.2862 -2.2862 -2.0340 -2.0340 -1.7956 -1.7956 -1.6945 -1.6945 -1.3260 -1.3260 -1.2459 -1.2459 -1.0923 -1.0923 -1.0747 -1.0747 -1.0358 -1.0358 -0.8015 -0.8015 -0.6521 -0.6521 3.5683 3.5683 3.7995 3.7995 3.9070 3.9070 5.9317 5.9317 6.1215 6.1215 8.8336 8.8336 k = 0.7396-0.0120-0.0085 ( 11076 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8765 -20.8765 -20.5247 -20.5247 -20.5155 -20.5155 -20.4199 -20.4199 -20.2658 -20.2658 -20.1946 -20.1946 -16.9889 -16.9889 -16.6742 -16.6742 -16.5688 -16.5688 -3.7642 -3.7642 -3.5392 -3.5392 -3.4621 -3.4621 -2.9270 -2.9270 -2.5166 -2.5166 -2.5062 -2.5062 -2.4655 -2.4655 -2.2862 -2.2862 -2.0321 -2.0321 -1.7803 -1.7803 -1.6804 -1.6804 -1.3237 -1.3237 -1.2475 -1.2475 -1.0935 -1.0935 -1.0866 -1.0866 -1.0401 -1.0401 -0.8048 -0.8048 -0.6484 -0.6484 3.5668 3.5668 3.7987 3.7987 3.9068 3.9068 5.9281 5.9281 6.1128 6.1128 8.8294 8.8294 k = 0.7500 0.0000 0.0000 ( 11068 PWs) bands (ev): -56.5161 -56.5161 -35.9664 -35.9664 -33.1753 -33.1753 -32.5408 -32.5408 -32.5043 -32.5043 -20.8752 -20.8752 -20.5178 -20.5178 -20.5080 -20.5080 -20.4272 -20.4272 -20.2695 -20.2695 -20.2015 -20.2015 -16.9877 -16.9877 -16.6728 -16.6728 -16.5683 -16.5683 -3.7669 -3.7669 -3.5526 -3.5526 -3.4729 -3.4729 -2.9329 -2.9329 -2.5168 -2.5168 -2.4941 -2.4941 -2.4544 -2.4544 -2.2861 -2.2861 -2.0320 -2.0320 -1.7653 -1.7653 -1.6671 -1.6671 -1.3234 -1.3234 -1.2492 -1.2492 -1.0999 -1.0999 -1.0918 -1.0918 -1.0421 -1.0421 -0.8077 -0.8077 -0.6447 -0.6447 3.5653 3.5653 3.7979 3.7979 3.9064 3.9064 5.9260 5.9260 6.1041 6.1041 8.8216 8.8216 Writing output data file CaTiF6.save init_run : 0.42s CPU 0.53s WALL ( 1 calls) electrons : 372.46s CPU 377.01s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 372.44s CPU 377.00s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.15s WALL ( 250 calls) cegterg : 349.01s CPU 351.71s WALL ( 399 calls) Called by sum_band: Called by *egterg: h_psi : 225.48s CPU 227.90s WALL ( 6634 calls) s_psi : 9.28s CPU 8.96s WALL ( 6634 calls) g_psi : 0.68s CPU 0.77s WALL ( 5985 calls) cdiaghg : 74.43s CPU 75.27s WALL ( 6235 calls) cegterg:over : 21.24s CPU 21.36s WALL ( 5985 calls) cegterg:upda : 19.46s CPU 19.26s WALL ( 5985 calls) cegterg:last : 11.67s CPU 11.72s WALL ( 1140 calls) cdiaghg:chol : 4.36s CPU 4.44s WALL ( 6235 calls) cdiaghg:inve : 3.12s CPU 3.13s WALL ( 6235 calls) cdiaghg:para : 5.44s CPU 5.54s WALL ( 12470 calls) Called by h_psi: h_psi:vloc : 202.70s CPU 204.96s WALL ( 6634 calls) h_psi:vnl : 21.98s CPU 22.12s WALL ( 6634 calls) add_vuspsi : 10.78s CPU 10.80s WALL ( 6634 calls) General routines calbec : 11.18s CPU 11.30s WALL ( 6634 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 192.00s CPU 194.60s WALL ( 954764 calls) davcio : 0.30s CPU 0.53s WALL ( 500 calls) Parallel routines fft_scatter : 57.34s CPU 58.90s WALL ( 954779 calls) PWSCF : 6m44.78s CPU 7m15.02s WALL This run was terminated on: 16:49:15 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=