Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:26:42 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: ./Cs2CrF6.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 89 89 24 3333 3333 475 Max 90 90 25 3337 3337 477 Sum 3217 3217 871 120021 120021 17153 bravais-lattice index = 14 lattice parameter (alat) = 12.0555 a.u. unit-cell volume = 1238.9249 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 74.00 number of Kohn-Sham states= 88 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)= 12.055540 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 0.866025 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 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 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 PseudoPot. # 2 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. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Cr 14.00 51.99610 Cr( 1.00) F 7.00 18.99840 F( 1.00) Cs 9.00 132.90550 Cs( 1.00) 12 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 - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 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 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 239 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 2) = ( 0.0142857 -0.0082479 0.0116642), wk = 0.0041841 k( 3) = ( 0.0285714 -0.0164957 0.0233285), wk = 0.0041841 k( 4) = ( 0.0428571 -0.0247436 0.0349927), wk = 0.0041841 k( 5) = ( 0.0571429 -0.0329914 0.0466569), wk = 0.0041841 k( 6) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0041841 k( 7) = ( 0.0857143 -0.0494872 0.0699854), wk = 0.0041841 k( 8) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0041841 k( 9) = ( 0.1142857 -0.0659829 0.0933139), wk = 0.0041841 k( 10) = ( 0.1285714 -0.0742307 0.1049781), wk = 0.0041841 k( 11) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0041841 k( 12) = ( 0.1571429 -0.0907265 0.1283066), wk = 0.0041841 k( 13) = ( 0.1714286 -0.0989743 0.1399708), wk = 0.0041841 k( 14) = ( 0.1857143 -0.1072222 0.1516351), wk = 0.0041841 k( 15) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0041841 k( 16) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0041841 k( 17) = ( 0.2285714 -0.1319658 0.1866278), wk = 0.0041841 k( 18) = ( 0.2428571 -0.1402136 0.1982920), wk = 0.0041841 k( 19) = ( 0.2571429 -0.1484615 0.2099563), wk = 0.0041841 k( 20) = ( 0.2714286 -0.1567094 0.2216205), wk = 0.0041841 k( 21) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0041841 k( 22) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0041841 k( 23) = ( 0.3142857 -0.1814529 0.2566132), wk = 0.0041841 k( 24) = ( 0.3285714 -0.1897008 0.2682774), wk = 0.0041841 k( 25) = ( 0.3428571 -0.1979487 0.2799417), wk = 0.0041841 k( 26) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0041841 k( 27) = ( 0.3714286 -0.2144444 0.3032702), wk = 0.0041841 k( 28) = ( 0.3857143 -0.2226922 0.3149344), wk = 0.0041841 k( 29) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0041841 k( 30) = ( 0.4142857 -0.2391880 0.3382629), wk = 0.0041841 k( 31) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0041841 k( 32) = ( 0.4428571 -0.2556837 0.3615913), wk = 0.0041841 k( 33) = ( 0.4571429 -0.2639316 0.3732556), wk = 0.0041841 k( 34) = ( 0.4714286 -0.2721794 0.3849198), wk = 0.0041841 k( 35) = ( 0.4857143 -0.2804273 0.3965841), wk = 0.0041841 k( 36) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0041841 k( 37) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0041841 k( 38) = ( 0.5000000 -0.2726376 0.4195885), wk = 0.0041841 k( 39) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0041841 k( 40) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0041841 k( 41) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0041841 k( 42) = ( 0.5000000 -0.2084876 0.4649494), wk = 0.0041841 k( 43) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0041841 k( 44) = ( 0.5000000 -0.1764126 0.4876299), wk = 0.0041841 k( 45) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0041841 k( 46) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0041841 k( 47) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0041841 k( 48) = ( 0.5000000 -0.1122625 0.5329908), wk = 0.0041841 k( 49) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0041841 k( 50) = ( 0.5000000 -0.0801875 0.5556713), wk = 0.0041841 k( 51) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0041841 k( 52) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0041841 k( 53) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0041841 k( 54) = ( 0.5000000 -0.0160375 0.6010322), wk = 0.0041841 k( 55) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0041841 k( 56) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0041841 k( 57) = ( 0.4903846 0.0166543 0.6123724), wk = 0.0041841 k( 58) = ( 0.4807692 0.0333087 0.6123724), wk = 0.0041841 k( 59) = ( 0.4711538 0.0499630 0.6123724), wk = 0.0041841 k( 60) = ( 0.4615385 0.0666173 0.6123724), wk = 0.0041841 k( 61) = ( 0.4519231 0.0832717 0.6123724), wk = 0.0041841 k( 62) = ( 0.4423077 0.0999260 0.6123724), wk = 0.0041841 k( 63) = ( 0.4326923 0.1165803 0.6123724), wk = 0.0041841 k( 64) = ( 0.4230769 0.1332347 0.6123724), wk = 0.0041841 k( 65) = ( 0.4134615 0.1498890 0.6123724), wk = 0.0041841 k( 66) = ( 0.4038462 0.1665434 0.6123724), wk = 0.0041841 k( 67) = ( 0.3942308 0.1831977 0.6123724), wk = 0.0041841 k( 68) = ( 0.3846154 0.1998520 0.6123724), wk = 0.0041841 k( 69) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0041841 k( 70) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0041841 k( 71) = ( 0.3648649 0.2106548 0.5958218), wk = 0.0041841 k( 72) = ( 0.3547297 0.2048033 0.5792712), wk = 0.0041841 k( 73) = ( 0.3445946 0.1989518 0.5627206), wk = 0.0041841 k( 74) = ( 0.3344595 0.1931003 0.5461700), wk = 0.0041841 k( 75) = ( 0.3243243 0.1872487 0.5296194), wk = 0.0041841 k( 76) = ( 0.3141892 0.1813972 0.5130688), wk = 0.0041841 k( 77) = ( 0.3040541 0.1755457 0.4965182), wk = 0.0041841 k( 78) = ( 0.2939189 0.1696942 0.4799676), wk = 0.0041841 k( 79) = ( 0.2837838 0.1638426 0.4634170), wk = 0.0041841 k( 80) = ( 0.2736486 0.1579911 0.4468664), wk = 0.0041841 k( 81) = ( 0.2635135 0.1521396 0.4303158), wk = 0.0041841 k( 82) = ( 0.2533784 0.1462881 0.4137652), wk = 0.0041841 k( 83) = ( 0.2432432 0.1404366 0.3972146), wk = 0.0041841 k( 84) = ( 0.2331081 0.1345850 0.3806639), wk = 0.0041841 k( 85) = ( 0.2229730 0.1287335 0.3641133), wk = 0.0041841 k( 86) = ( 0.2128378 0.1228820 0.3475627), wk = 0.0041841 k( 87) = ( 0.2027027 0.1170305 0.3310121), wk = 0.0041841 k( 88) = ( 0.1925676 0.1111789 0.3144615), wk = 0.0041841 k( 89) = ( 0.1824324 0.1053274 0.2979109), wk = 0.0041841 k( 90) = ( 0.1722973 0.0994759 0.2813603), wk = 0.0041841 k( 91) = ( 0.1621622 0.0936244 0.2648097), wk = 0.0041841 k( 92) = ( 0.1520270 0.0877728 0.2482591), wk = 0.0041841 k( 93) = ( 0.1418919 0.0819213 0.2317085), wk = 0.0041841 k( 94) = ( 0.1317568 0.0760698 0.2151579), wk = 0.0041841 k( 95) = ( 0.1216216 0.0702183 0.1986073), wk = 0.0041841 k( 96) = ( 0.1114865 0.0643668 0.1820567), wk = 0.0041841 k( 97) = ( 0.1013514 0.0585152 0.1655061), wk = 0.0041841 k( 98) = ( 0.0912162 0.0526637 0.1489555), wk = 0.0041841 k( 99) = ( 0.0810811 0.0468122 0.1324048), wk = 0.0041841 k( 100) = ( 0.0709459 0.0409607 0.1158542), wk = 0.0041841 k( 101) = ( 0.0608108 0.0351091 0.0993036), wk = 0.0041841 k( 102) = ( 0.0506757 0.0292576 0.0827530), wk = 0.0041841 k( 103) = ( 0.0405405 0.0234061 0.0662024), wk = 0.0041841 k( 104) = ( 0.0304054 0.0175546 0.0496518), wk = 0.0041841 k( 105) = ( 0.0202703 0.0117030 0.0331012), wk = 0.0041841 k( 106) = ( 0.0101351 0.0058515 0.0165506), wk = 0.0041841 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 109) = ( 0.0161290 0.0093121 0.0065846), wk = 0.0041841 k( 110) = ( 0.0322581 0.0186242 0.0131693), wk = 0.0041841 k( 111) = ( 0.0483871 0.0279363 0.0197540), wk = 0.0041841 k( 112) = ( 0.0645161 0.0372484 0.0263386), wk = 0.0041841 k( 113) = ( 0.0806452 0.0465605 0.0329232), wk = 0.0041841 k( 114) = ( 0.0967742 0.0558726 0.0395079), wk = 0.0041841 k( 115) = ( 0.1129032 0.0651847 0.0460926), wk = 0.0041841 k( 116) = ( 0.1290323 0.0744968 0.0526772), wk = 0.0041841 k( 117) = ( 0.1451613 0.0838089 0.0592618), wk = 0.0041841 k( 118) = ( 0.1612903 0.0931210 0.0658465), wk = 0.0041841 k( 119) = ( 0.1774194 0.1024331 0.0724311), wk = 0.0041841 k( 120) = ( 0.1935484 0.1117452 0.0790158), wk = 0.0041841 k( 121) = ( 0.2096774 0.1210573 0.0856004), wk = 0.0041841 k( 122) = ( 0.2258064 0.1303694 0.0921851), wk = 0.0041841 k( 123) = ( 0.2419355 0.1396815 0.0987697), wk = 0.0041841 k( 124) = ( 0.2580645 0.1489936 0.1053544), wk = 0.0041841 k( 125) = ( 0.2741936 0.1583057 0.1119390), wk = 0.0041841 k( 126) = ( 0.2903226 0.1676178 0.1185237), wk = 0.0041841 k( 127) = ( 0.3064516 0.1769299 0.1251083), wk = 0.0041841 k( 128) = ( 0.3225807 0.1862420 0.1316930), wk = 0.0041841 k( 129) = ( 0.3387097 0.1955541 0.1382776), wk = 0.0041841 k( 130) = ( 0.3548387 0.2048662 0.1448623), wk = 0.0041841 k( 131) = ( 0.3709677 0.2141783 0.1514469), wk = 0.0041841 k( 132) = ( 0.3870968 0.2234904 0.1580316), wk = 0.0041841 k( 133) = ( 0.4032258 0.2328025 0.1646162), wk = 0.0041841 k( 134) = ( 0.4193548 0.2421146 0.1712009), wk = 0.0041841 k( 135) = ( 0.4354839 0.2514267 0.1777855), wk = 0.0041841 k( 136) = ( 0.4516129 0.2607388 0.1843702), wk = 0.0041841 k( 137) = ( 0.4677419 0.2700509 0.1909548), wk = 0.0041841 k( 138) = ( 0.4838710 0.2793630 0.1975395), wk = 0.0041841 k( 139) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0041841 k( 140) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0041841 k( 141) = ( 0.5056818 0.2722731 0.2134025), wk = 0.0041841 k( 142) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0041841 k( 143) = ( 0.5170455 0.2394691 0.2319593), wk = 0.0041841 k( 144) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0041841 k( 145) = ( 0.5284091 0.2066652 0.2505160), wk = 0.0041841 k( 146) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0041841 k( 147) = ( 0.5397727 0.1738612 0.2690727), wk = 0.0041841 k( 148) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0041841 k( 149) = ( 0.5511364 0.1410572 0.2876295), wk = 0.0041841 k( 150) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0041841 k( 151) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0041841 k( 152) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0041841 k( 153) = ( 0.5738636 0.0754492 0.3247430), wk = 0.0041841 k( 154) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0041841 k( 155) = ( 0.5852273 0.0426452 0.3432997), wk = 0.0041841 k( 156) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0041841 k( 157) = ( 0.5965909 0.0098412 0.3618564), wk = 0.0041841 k( 158) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0041841 k( 159) = ( 0.6079545 -0.0229628 0.3804132), wk = 0.0041841 k( 160) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0041841 k( 161) = ( 0.6193182 -0.0557668 0.3989699), wk = 0.0041841 k( 162) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0041841 k( 163) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0041841 k( 164) = ( 0.6153846 -0.0666173 0.4239501), wk = 0.0041841 k( 165) = ( 0.6057692 -0.0610659 0.4396520), wk = 0.0041841 k( 166) = ( 0.5961538 -0.0555145 0.4553539), wk = 0.0041841 k( 167) = ( 0.5865385 -0.0499630 0.4710557), wk = 0.0041841 k( 168) = ( 0.5769231 -0.0444116 0.4867576), wk = 0.0041841 k( 169) = ( 0.5673077 -0.0388601 0.5024594), wk = 0.0041841 k( 170) = ( 0.5576923 -0.0333087 0.5181613), wk = 0.0041841 k( 171) = ( 0.5480769 -0.0277572 0.5338632), wk = 0.0041841 k( 172) = ( 0.5384615 -0.0222058 0.5495650), wk = 0.0041841 k( 173) = ( 0.5288462 -0.0166543 0.5652669), wk = 0.0041841 k( 174) = ( 0.5192308 -0.0111029 0.5809687), wk = 0.0041841 k( 175) = ( 0.5096154 -0.0055514 0.5966706), wk = 0.0041841 k( 176) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0041841 k( 177) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0041841 k( 178) = ( 0.5000000 0.0115470 0.5960425), wk = 0.0041841 k( 179) = ( 0.5000000 0.0230940 0.5797126), wk = 0.0041841 k( 180) = ( 0.5000000 0.0346410 0.5633826), wk = 0.0041841 k( 181) = ( 0.5000000 0.0461880 0.5470527), wk = 0.0041841 k( 182) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0041841 k( 183) = ( 0.5000000 0.0692820 0.5143928), wk = 0.0041841 k( 184) = ( 0.5000000 0.0808290 0.4980629), wk = 0.0041841 k( 185) = ( 0.5000000 0.0923760 0.4817330), wk = 0.0041841 k( 186) = ( 0.5000000 0.1039230 0.4654031), wk = 0.0041841 k( 187) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0041841 k( 188) = ( 0.5000000 0.1270171 0.4327432), wk = 0.0041841 k( 189) = ( 0.5000000 0.1385641 0.4164133), wk = 0.0041841 k( 190) = ( 0.5000000 0.1501111 0.4000833), wk = 0.0041841 k( 191) = ( 0.5000000 0.1616581 0.3837534), wk = 0.0041841 k( 192) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0041841 k( 193) = ( 0.5000000 0.1847521 0.3510935), wk = 0.0041841 k( 194) = ( 0.5000000 0.1962991 0.3347636), wk = 0.0041841 k( 195) = ( 0.5000000 0.2078461 0.3184337), wk = 0.0041841 k( 196) = ( 0.5000000 0.2193931 0.3021037), wk = 0.0041841 k( 197) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0041841 k( 198) = ( 0.5000000 0.2424871 0.2694439), wk = 0.0041841 k( 199) = ( 0.5000000 0.2540341 0.2531139), wk = 0.0041841 k( 200) = ( 0.5000000 0.2655811 0.2367840), wk = 0.0041841 k( 201) = ( 0.5000000 0.2771281 0.2204541), wk = 0.0041841 k( 202) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0041841 k( 203) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0041841 k( 204) = ( 0.4943182 0.2853947 0.2226809), wk = 0.0041841 k( 205) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0041841 k( 206) = ( 0.4829545 0.2788339 0.2597944), wk = 0.0041841 k( 207) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0041841 k( 208) = ( 0.4715909 0.2722731 0.2969078), wk = 0.0041841 k( 209) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0041841 k( 210) = ( 0.4602273 0.2657123 0.3340213), wk = 0.0041841 k( 211) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0041841 k( 212) = ( 0.4488636 0.2591515 0.3711348), wk = 0.0041841 k( 213) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0041841 k( 214) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0041841 k( 215) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0041841 k( 216) = ( 0.4261364 0.2460299 0.4453618), wk = 0.0041841 k( 217) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0041841 k( 218) = ( 0.4147727 0.2394691 0.4824753), wk = 0.0041841 k( 219) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0041841 k( 220) = ( 0.4034091 0.2329083 0.5195887), wk = 0.0041841 k( 221) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0041841 k( 222) = ( 0.3920455 0.2263475 0.5567022), wk = 0.0041841 k( 223) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0041841 k( 224) = ( 0.3806818 0.2197868 0.5938157), wk = 0.0041841 k( 225) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0041841 k( 226) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0041841 k( 227) = ( 0.6153846 -0.0888231 0.4082483), wk = 0.0041841 k( 228) = ( 0.6057692 -0.1054775 0.4082483), wk = 0.0041841 k( 229) = ( 0.5961538 -0.1221318 0.4082483), wk = 0.0041841 k( 230) = ( 0.5865385 -0.1387861 0.4082483), wk = 0.0041841 k( 231) = ( 0.5769231 -0.1554405 0.4082483), wk = 0.0041841 k( 232) = ( 0.5673077 -0.1720948 0.4082483), wk = 0.0041841 k( 233) = ( 0.5576923 -0.1887491 0.4082483), wk = 0.0041841 k( 234) = ( 0.5480769 -0.2054035 0.4082483), wk = 0.0041841 k( 235) = ( 0.5384615 -0.2220578 0.4082483), wk = 0.0041841 k( 236) = ( 0.5288462 -0.2387121 0.4082483), wk = 0.0041841 k( 237) = ( 0.5192308 -0.2553665 0.4082483), wk = 0.0041841 k( 238) = ( 0.5096154 -0.2720208 0.4082483), wk = 0.0041841 k( 239) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0041841 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 2) = ( 0.0142857 0.0000000 0.0142857), wk = 0.0041841 k( 3) = ( 0.0285714 0.0000000 0.0285714), wk = 0.0041841 k( 4) = ( 0.0428571 0.0000000 0.0428571), wk = 0.0041841 k( 5) = ( 0.0571429 0.0000000 0.0571429), wk = 0.0041841 k( 6) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0041841 k( 7) = ( 0.0857143 0.0000000 0.0857143), wk = 0.0041841 k( 8) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0041841 k( 9) = ( 0.1142857 0.0000000 0.1142857), wk = 0.0041841 k( 10) = ( 0.1285714 0.0000000 0.1285714), wk = 0.0041841 k( 11) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0041841 k( 12) = ( 0.1571429 -0.0000000 0.1571429), wk = 0.0041841 k( 13) = ( 0.1714286 0.0000000 0.1714286), wk = 0.0041841 k( 14) = ( 0.1857143 -0.0000000 0.1857143), wk = 0.0041841 k( 15) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0041841 k( 16) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0041841 k( 17) = ( 0.2285714 -0.0000000 0.2285714), wk = 0.0041841 k( 18) = ( 0.2428571 -0.0000000 0.2428571), wk = 0.0041841 k( 19) = ( 0.2571429 0.0000000 0.2571429), wk = 0.0041841 k( 20) = ( 0.2714286 0.0000000 0.2714286), wk = 0.0041841 k( 21) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0041841 k( 22) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0041841 k( 23) = ( 0.3142857 -0.0000000 0.3142857), wk = 0.0041841 k( 24) = ( 0.3285714 -0.0000000 0.3285714), wk = 0.0041841 k( 25) = ( 0.3428571 0.0000000 0.3428571), wk = 0.0041841 k( 26) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0041841 k( 27) = ( 0.3714286 0.0000000 0.3714286), wk = 0.0041841 k( 28) = ( 0.3857143 0.0000000 0.3857143), wk = 0.0041841 k( 29) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0041841 k( 30) = ( 0.4142857 -0.0000000 0.4142857), wk = 0.0041841 k( 31) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0041841 k( 32) = ( 0.4428571 0.0000000 0.4428571), wk = 0.0041841 k( 33) = ( 0.4571429 -0.0000000 0.4571429), wk = 0.0041841 k( 34) = ( 0.4714286 0.0000000 0.4714286), wk = 0.0041841 k( 35) = ( 0.4857143 0.0000000 0.4857143), wk = 0.0041841 k( 36) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041841 k( 37) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041841 k( 38) = ( 0.5000000 0.0138889 0.5138889), wk = 0.0041841 k( 39) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0041841 k( 40) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0041841 k( 41) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0041841 k( 42) = ( 0.5000000 0.0694444 0.5694444), wk = 0.0041841 k( 43) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0041841 k( 44) = ( 0.5000000 0.0972222 0.5972222), wk = 0.0041841 k( 45) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0041841 k( 46) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0041841 k( 47) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0041841 k( 48) = ( 0.5000000 0.1527778 0.6527778), wk = 0.0041841 k( 49) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0041841 k( 50) = ( 0.5000000 0.1805556 0.6805556), wk = 0.0041841 k( 51) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0041841 k( 52) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0041841 k( 53) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0041841 k( 54) = ( 0.5000000 0.2361111 0.7361111), wk = 0.0041841 k( 55) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0041841 k( 56) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0041841 k( 57) = ( 0.4903846 0.2596154 0.7500000), wk = 0.0041841 k( 58) = ( 0.4807692 0.2692308 0.7500000), wk = 0.0041841 k( 59) = ( 0.4711538 0.2788462 0.7500000), wk = 0.0041841 k( 60) = ( 0.4615385 0.2884615 0.7500000), wk = 0.0041841 k( 61) = ( 0.4519231 0.2980769 0.7500000), wk = 0.0041841 k( 62) = ( 0.4423077 0.3076923 0.7500000), wk = 0.0041841 k( 63) = ( 0.4326923 0.3173077 0.7500000), wk = 0.0041841 k( 64) = ( 0.4230769 0.3269231 0.7500000), wk = 0.0041841 k( 65) = ( 0.4134615 0.3365385 0.7500000), wk = 0.0041841 k( 66) = ( 0.4038462 0.3461538 0.7500000), wk = 0.0041841 k( 67) = ( 0.3942308 0.3557692 0.7500000), wk = 0.0041841 k( 68) = ( 0.3846154 0.3653846 0.7500000), wk = 0.0041841 k( 69) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0041841 k( 70) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0041841 k( 71) = ( 0.3648649 0.3648649 0.7297297), wk = 0.0041841 k( 72) = ( 0.3547297 0.3547297 0.7094595), wk = 0.0041841 k( 73) = ( 0.3445946 0.3445946 0.6891892), wk = 0.0041841 k( 74) = ( 0.3344595 0.3344595 0.6689189), wk = 0.0041841 k( 75) = ( 0.3243243 0.3243243 0.6486486), wk = 0.0041841 k( 76) = ( 0.3141892 0.3141892 0.6283784), wk = 0.0041841 k( 77) = ( 0.3040541 0.3040541 0.6081081), wk = 0.0041841 k( 78) = ( 0.2939189 0.2939189 0.5878378), wk = 0.0041841 k( 79) = ( 0.2837838 0.2837838 0.5675676), wk = 0.0041841 k( 80) = ( 0.2736486 0.2736487 0.5472973), wk = 0.0041841 k( 81) = ( 0.2635135 0.2635135 0.5270270), wk = 0.0041841 k( 82) = ( 0.2533784 0.2533784 0.5067568), wk = 0.0041841 k( 83) = ( 0.2432432 0.2432432 0.4864865), wk = 0.0041841 k( 84) = ( 0.2331081 0.2331081 0.4662162), wk = 0.0041841 k( 85) = ( 0.2229730 0.2229730 0.4459459), wk = 0.0041841 k( 86) = ( 0.2128378 0.2128378 0.4256757), wk = 0.0041841 k( 87) = ( 0.2027027 0.2027027 0.4054054), wk = 0.0041841 k( 88) = ( 0.1925676 0.1925676 0.3851351), wk = 0.0041841 k( 89) = ( 0.1824324 0.1824324 0.3648649), wk = 0.0041841 k( 90) = ( 0.1722973 0.1722973 0.3445946), wk = 0.0041841 k( 91) = ( 0.1621622 0.1621622 0.3243243), wk = 0.0041841 k( 92) = ( 0.1520270 0.1520270 0.3040541), wk = 0.0041841 k( 93) = ( 0.1418919 0.1418919 0.2837838), wk = 0.0041841 k( 94) = ( 0.1317568 0.1317568 0.2635135), wk = 0.0041841 k( 95) = ( 0.1216216 0.1216216 0.2432432), wk = 0.0041841 k( 96) = ( 0.1114865 0.1114865 0.2229730), wk = 0.0041841 k( 97) = ( 0.1013514 0.1013514 0.2027027), wk = 0.0041841 k( 98) = ( 0.0912162 0.0912162 0.1824324), wk = 0.0041841 k( 99) = ( 0.0810811 0.0810811 0.1621622), wk = 0.0041841 k( 100) = ( 0.0709459 0.0709460 0.1418919), wk = 0.0041841 k( 101) = ( 0.0608108 0.0608108 0.1216216), wk = 0.0041841 k( 102) = ( 0.0506757 0.0506757 0.1013513), wk = 0.0041841 k( 103) = ( 0.0405405 0.0405405 0.0810811), wk = 0.0041841 k( 104) = ( 0.0304054 0.0304054 0.0608108), wk = 0.0041841 k( 105) = ( 0.0202703 0.0202703 0.0405405), wk = 0.0041841 k( 106) = ( 0.0101351 0.0101351 0.0202703), wk = 0.0041841 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 109) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0041841 k( 110) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0041841 k( 111) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0041841 k( 112) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0041841 k( 113) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0041841 k( 114) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0041841 k( 115) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0041841 k( 116) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0041841 k( 117) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0041841 k( 118) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0041841 k( 119) = ( 0.1774194 0.1774194 0.1774193), wk = 0.0041841 k( 120) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0041841 k( 121) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0041841 k( 122) = ( 0.2258064 0.2258065 0.2258064), wk = 0.0041841 k( 123) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0041841 k( 124) = ( 0.2580645 0.2580645 0.2580645), wk = 0.0041841 k( 125) = ( 0.2741936 0.2741936 0.2741935), wk = 0.0041841 k( 126) = ( 0.2903226 0.2903226 0.2903226), wk = 0.0041841 k( 127) = ( 0.3064516 0.3064516 0.3064516), wk = 0.0041841 k( 128) = ( 0.3225807 0.3225807 0.3225806), wk = 0.0041841 k( 129) = ( 0.3387097 0.3387097 0.3387097), wk = 0.0041841 k( 130) = ( 0.3548387 0.3548387 0.3548387), wk = 0.0041841 k( 131) = ( 0.3709677 0.3709677 0.3709677), wk = 0.0041841 k( 132) = ( 0.3870968 0.3870968 0.3870968), wk = 0.0041841 k( 133) = ( 0.4032258 0.4032258 0.4032258), wk = 0.0041841 k( 134) = ( 0.4193548 0.4193548 0.4193548), wk = 0.0041841 k( 135) = ( 0.4354839 0.4354839 0.4354839), wk = 0.0041841 k( 136) = ( 0.4516129 0.4516129 0.4516129), wk = 0.0041841 k( 137) = ( 0.4677419 0.4677419 0.4677419), wk = 0.0041841 k( 138) = ( 0.4838710 0.4838710 0.4838710), wk = 0.0041841 k( 139) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041841 k( 140) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041841 k( 141) = ( 0.5056818 0.4886364 0.5056818), wk = 0.0041841 k( 142) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0041841 k( 143) = ( 0.5170455 0.4659091 0.5170455), wk = 0.0041841 k( 144) = ( 0.5227273 0.4545455 0.5227273), wk = 0.0041841 k( 145) = ( 0.5284091 0.4431818 0.5284091), wk = 0.0041841 k( 146) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0041841 k( 147) = ( 0.5397727 0.4204546 0.5397727), wk = 0.0041841 k( 148) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0041841 k( 149) = ( 0.5511364 0.3977273 0.5511364), wk = 0.0041841 k( 150) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0041841 k( 151) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0041841 k( 152) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0041841 k( 153) = ( 0.5738636 0.3522727 0.5738636), wk = 0.0041841 k( 154) = ( 0.5795455 0.3409091 0.5795454), wk = 0.0041841 k( 155) = ( 0.5852273 0.3295455 0.5852273), wk = 0.0041841 k( 156) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0041841 k( 157) = ( 0.5965909 0.3068182 0.5965909), wk = 0.0041841 k( 158) = ( 0.6022727 0.2954545 0.6022727), wk = 0.0041841 k( 159) = ( 0.6079545 0.2840909 0.6079545), wk = 0.0041841 k( 160) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0041841 k( 161) = ( 0.6193182 0.2613636 0.6193182), wk = 0.0041841 k( 162) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0041841 k( 163) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0041841 k( 164) = ( 0.6153846 0.2500000 0.6346154), wk = 0.0041841 k( 165) = ( 0.6057692 0.2500000 0.6442308), wk = 0.0041841 k( 166) = ( 0.5961538 0.2500000 0.6538461), wk = 0.0041841 k( 167) = ( 0.5865385 0.2500000 0.6634615), wk = 0.0041841 k( 168) = ( 0.5769231 0.2500000 0.6730769), wk = 0.0041841 k( 169) = ( 0.5673077 0.2500000 0.6826923), wk = 0.0041841 k( 170) = ( 0.5576923 0.2500000 0.6923077), wk = 0.0041841 k( 171) = ( 0.5480769 0.2500000 0.7019231), wk = 0.0041841 k( 172) = ( 0.5384615 0.2500000 0.7115385), wk = 0.0041841 k( 173) = ( 0.5288462 0.2500000 0.7211538), wk = 0.0041841 k( 174) = ( 0.5192308 0.2500000 0.7307692), wk = 0.0041841 k( 175) = ( 0.5096154 0.2500000 0.7403846), wk = 0.0041841 k( 176) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0041841 k( 177) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0041841 k( 178) = ( 0.5000000 0.2600000 0.7400000), wk = 0.0041841 k( 179) = ( 0.5000000 0.2700000 0.7300000), wk = 0.0041841 k( 180) = ( 0.5000000 0.2800000 0.7200000), wk = 0.0041841 k( 181) = ( 0.5000000 0.2900000 0.7100000), wk = 0.0041841 k( 182) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0041841 k( 183) = ( 0.5000000 0.3100000 0.6900000), wk = 0.0041841 k( 184) = ( 0.5000000 0.3200000 0.6800000), wk = 0.0041841 k( 185) = ( 0.5000000 0.3300000 0.6700000), wk = 0.0041841 k( 186) = ( 0.5000000 0.3400000 0.6600000), wk = 0.0041841 k( 187) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0041841 k( 188) = ( 0.5000000 0.3600000 0.6400000), wk = 0.0041841 k( 189) = ( 0.5000000 0.3700000 0.6300000), wk = 0.0041841 k( 190) = ( 0.5000000 0.3800000 0.6200000), wk = 0.0041841 k( 191) = ( 0.5000000 0.3900000 0.6100000), wk = 0.0041841 k( 192) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0041841 k( 193) = ( 0.5000000 0.4100000 0.5900000), wk = 0.0041841 k( 194) = ( 0.5000000 0.4200000 0.5800000), wk = 0.0041841 k( 195) = ( 0.5000000 0.4300000 0.5700000), wk = 0.0041841 k( 196) = ( 0.5000000 0.4400000 0.5600000), wk = 0.0041841 k( 197) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0041841 k( 198) = ( 0.5000000 0.4600000 0.5400000), wk = 0.0041841 k( 199) = ( 0.5000000 0.4700000 0.5300000), wk = 0.0041841 k( 200) = ( 0.5000000 0.4800000 0.5200000), wk = 0.0041841 k( 201) = ( 0.5000000 0.4900000 0.5100000), wk = 0.0041841 k( 202) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041841 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041841 k( 204) = ( 0.4943182 0.4943182 0.5113636), wk = 0.0041841 k( 205) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0041841 k( 206) = ( 0.4829545 0.4829545 0.5340909), wk = 0.0041841 k( 207) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0041841 k( 208) = ( 0.4715909 0.4715909 0.5568182), wk = 0.0041841 k( 209) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0041841 k( 210) = ( 0.4602273 0.4602273 0.5795454), wk = 0.0041841 k( 211) = ( 0.4545455 0.4545455 0.5909091), wk = 0.0041841 k( 212) = ( 0.4488636 0.4488636 0.6022727), wk = 0.0041841 k( 213) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0041841 k( 214) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0041841 k( 215) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0041841 k( 216) = ( 0.4261364 0.4261364 0.6477273), wk = 0.0041841 k( 217) = ( 0.4204545 0.4204546 0.6590909), wk = 0.0041841 k( 218) = ( 0.4147727 0.4147727 0.6704545), wk = 0.0041841 k( 219) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0041841 k( 220) = ( 0.4034091 0.4034091 0.6931818), wk = 0.0041841 k( 221) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0041841 k( 222) = ( 0.3920455 0.3920455 0.7159091), wk = 0.0041841 k( 223) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0041841 k( 224) = ( 0.3806818 0.3806818 0.7386364), wk = 0.0041841 k( 225) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0041841 k( 226) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0041841 k( 227) = ( 0.6153846 0.2307692 0.6153846), wk = 0.0041841 k( 228) = ( 0.6057692 0.2115385 0.6057692), wk = 0.0041841 k( 229) = ( 0.5961538 0.1923077 0.5961538), wk = 0.0041841 k( 230) = ( 0.5865385 0.1730769 0.5865385), wk = 0.0041841 k( 231) = ( 0.5769231 0.1538462 0.5769231), wk = 0.0041841 k( 232) = ( 0.5673077 0.1346154 0.5673077), wk = 0.0041841 k( 233) = ( 0.5576923 0.1153846 0.5576923), wk = 0.0041841 k( 234) = ( 0.5480769 0.0961539 0.5480769), wk = 0.0041841 k( 235) = ( 0.5384615 0.0769231 0.5384615), wk = 0.0041841 k( 236) = ( 0.5288462 0.0576923 0.5288462), wk = 0.0041841 k( 237) = ( 0.5192308 0.0384615 0.5192308), wk = 0.0041841 k( 238) = ( 0.5096154 0.0192308 0.5096154), wk = 0.0041841 k( 239) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041841 Dense grid: 120021 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 1.13 Mb ( 842, 88) NL pseudopotentials 1.55 Mb ( 421, 242) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3334) G-vector shells 0.01 Mb ( 690) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 4.52 Mb ( 842, 352) Each subspace H/S matrix 0.12 Mb ( 88, 88) Each matrix 0.65 Mb ( 242, 2, 88) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Cs2CrF6.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.6 secs Computing kpt #: 3 total cpu time spent up to now is 7.4 secs Computing kpt #: 4 total cpu time spent up to now is 9.3 secs Computing kpt #: 5 total cpu time spent up to now is 11.3 secs Computing kpt #: 6 total cpu time spent up to now is 13.2 secs Computing kpt #: 7 total cpu time spent up to now is 15.1 secs Computing kpt #: 8 total cpu time spent up to now is 17.1 secs Computing kpt #: 9 total cpu time spent up to now is 19.1 secs Computing kpt #: 10 total cpu time spent up to now is 21.3 secs Computing kpt #: 11 total cpu time spent up to now is 23.6 secs Computing kpt #: 12 total cpu time spent up to now is 25.9 secs Computing kpt #: 13 total cpu time spent up to now is 28.1 secs Computing kpt #: 14 total cpu time spent up to now is 30.3 secs Computing kpt #: 15 total cpu time spent up to now is 32.6 secs Computing kpt #: 16 total cpu time spent up to now is 34.9 secs Computing kpt #: 17 total cpu time spent up to now is 36.9 secs Computing kpt #: 18 total cpu time spent up to now is 38.8 secs Computing kpt #: 19 total cpu time spent up to now is 40.7 secs Computing kpt #: 20 total cpu time spent up to now is 42.6 secs Computing kpt #: 21 total cpu time spent up to now is 44.5 secs Computing kpt #: 22 total cpu time spent up to now is 46.4 secs Computing kpt #: 23 total cpu time spent up to now is 48.3 secs Computing kpt #: 24 total cpu time spent up to now is 50.2 secs Computing kpt #: 25 total cpu time spent up to now is 52.2 secs Computing kpt #: 26 total cpu time spent up to now is 54.4 secs Computing kpt #: 27 total cpu time spent up to now is 56.6 secs Computing kpt #: 28 total cpu time spent up to now is 58.8 secs Computing kpt #: 29 total cpu time spent up to now is 61.1 secs Computing kpt #: 30 total cpu time spent up to now is 63.3 secs Computing kpt #: 31 total cpu time spent up to now is 65.5 secs Computing kpt #: 32 total cpu time spent up to now is 67.8 secs Computing kpt #: 33 total cpu time spent up to now is 70.0 secs Computing kpt #: 34 total cpu time spent up to now is 72.2 secs Computing kpt #: 35 total cpu time spent up to now is 74.4 secs Computing kpt #: 36 total cpu time spent up to now is 76.5 secs Computing kpt #: 37 total cpu time spent up to now is 78.7 secs Computing kpt #: 38 total cpu time spent up to now is 80.9 secs Computing kpt #: 39 total cpu time spent up to now is 83.1 secs Computing kpt #: 40 total cpu time spent up to now is 85.3 secs Computing kpt #: 41 total cpu time spent up to now is 87.5 secs Computing kpt #: 42 total cpu time spent up to now is 89.7 secs Computing kpt #: 43 total cpu time spent up to now is 91.9 secs Computing kpt #: 44 total cpu time spent up to now is 94.2 secs Computing kpt #: 45 total cpu time spent up to now is 96.4 secs Computing kpt #: 46 total cpu time spent up to now is 98.7 secs Computing kpt #: 47 total cpu time spent up to now is 100.9 secs Computing kpt #: 48 total cpu time spent up to now is 103.2 secs Computing kpt #: 49 total cpu time spent up to now is 105.4 secs Computing kpt #: 50 total cpu time spent up to now is 107.6 secs Computing kpt #: 51 total cpu time spent up to now is 109.6 secs Computing kpt #: 52 total cpu time spent up to now is 111.5 secs Computing kpt #: 53 total cpu time spent up to now is 113.5 secs Computing kpt #: 54 total cpu time spent up to now is 115.4 secs Computing kpt #: 55 total cpu time spent up to now is 117.4 secs Computing kpt #: 56 total cpu time spent up to now is 119.3 secs Computing kpt #: 57 total cpu time spent up to now is 121.3 secs Computing kpt #: 58 total cpu time spent up to now is 123.2 secs Computing kpt #: 59 total cpu time spent up to now is 125.2 secs Computing kpt #: 60 total cpu time spent up to now is 127.1 secs Computing kpt #: 61 total cpu time spent up to now is 129.4 secs Computing kpt #: 62 total cpu time spent up to now is 131.6 secs Computing kpt #: 63 total cpu time spent up to now is 133.8 secs Computing kpt #: 64 total cpu time spent up to now is 136.0 secs Computing kpt #: 65 total cpu time spent up to now is 138.3 secs Computing kpt #: 66 total cpu time spent up to now is 140.5 secs Computing kpt #: 67 total cpu time spent up to now is 142.7 secs Computing kpt #: 68 total cpu time spent up to now is 145.0 secs Computing kpt #: 69 total cpu time spent up to now is 147.3 secs Computing kpt #: 70 total cpu time spent up to now is 149.5 secs Computing kpt #: 71 total cpu time spent up to now is 151.8 secs Computing kpt #: 72 total cpu time spent up to now is 154.2 secs Computing kpt #: 73 total cpu time spent up to now is 157.0 secs Computing kpt #: 74 total cpu time spent up to now is 159.3 secs Computing kpt #: 75 total cpu time spent up to now is 161.7 secs Computing kpt #: 76 total cpu time spent up to now is 164.0 secs Computing kpt #: 77 total cpu time spent up to now is 166.3 secs Computing kpt #: 78 total cpu time spent up to now is 168.6 secs Computing kpt #: 79 total cpu time spent up to now is 170.9 secs Computing kpt #: 80 total cpu time spent up to now is 173.2 secs Computing kpt #: 81 total cpu time spent up to now is 175.7 secs Computing kpt #: 82 total cpu time spent up to now is 178.5 secs Computing kpt #: 83 total cpu time spent up to now is 181.0 secs Computing kpt #: 84 total cpu time spent up to now is 183.3 secs Computing kpt #: 85 total cpu time spent up to now is 185.7 secs Computing kpt #: 86 total cpu time spent up to now is 188.0 secs Computing kpt #: 87 total cpu time spent up to now is 190.3 secs Computing kpt #: 88 total cpu time spent up to now is 192.6 secs Computing kpt #: 89 total cpu time spent up to now is 194.9 secs Computing kpt #: 90 total cpu time spent up to now is 197.2 secs Computing kpt #: 91 total cpu time spent up to now is 199.5 secs Computing kpt #: 92 total cpu time spent up to now is 201.8 secs Computing kpt #: 93 total cpu time spent up to now is 204.1 secs Computing kpt #: 94 total cpu time spent up to now is 206.3 secs Computing kpt #: 95 total cpu time spent up to now is 208.5 secs Computing kpt #: 96 total cpu time spent up to now is 210.5 secs Computing kpt #: 97 total cpu time spent up to now is 212.5 secs Computing kpt #: 98 total cpu time spent up to now is 214.5 secs Computing kpt #: 99 total cpu time spent up to now is 216.4 secs Computing kpt #: 100 total cpu time spent up to now is 218.4 secs Computing kpt #: 101 total cpu time spent up to now is 220.3 secs Computing kpt #: 102 total cpu time spent up to now is 222.3 secs Computing kpt #: 103 total cpu time spent up to now is 224.2 secs Computing kpt #: 104 total cpu time spent up to now is 226.1 secs Computing kpt #: 105 total cpu time spent up to now is 227.9 secs Computing kpt #: 106 total cpu time spent up to now is 229.8 secs Computing kpt #: 107 total cpu time spent up to now is 231.6 secs Computing kpt #: 108 total cpu time spent up to now is 233.4 secs Computing kpt #: 109 total cpu time spent up to now is 235.3 secs Computing kpt #: 110 total cpu time spent up to now is 237.1 secs Computing kpt #: 111 total cpu time spent up to now is 239.0 secs Computing kpt #: 112 total cpu time spent up to now is 240.9 secs Computing kpt #: 113 total cpu time spent up to now is 242.8 secs Computing kpt #: 114 total cpu time spent up to now is 244.8 secs Computing kpt #: 115 total cpu time spent up to now is 246.7 secs Computing kpt #: 116 total cpu time spent up to now is 248.7 secs Computing kpt #: 117 total cpu time spent up to now is 250.6 secs Computing kpt #: 118 total cpu time spent up to now is 252.6 secs Computing kpt #: 119 total cpu time spent up to now is 254.6 secs Computing kpt #: 120 total cpu time spent up to now is 256.5 secs Computing kpt #: 121 total cpu time spent up to now is 258.8 secs Computing kpt #: 122 total cpu time spent up to now is 261.1 secs Computing kpt #: 123 total cpu time spent up to now is 263.4 secs Computing kpt #: 124 total cpu time spent up to now is 265.7 secs Computing kpt #: 125 total cpu time spent up to now is 268.0 secs Computing kpt #: 126 total cpu time spent up to now is 270.3 secs Computing kpt #: 127 total cpu time spent up to now is 272.6 secs Computing kpt #: 128 total cpu time spent up to now is 274.9 secs Computing kpt #: 129 total cpu time spent up to now is 277.2 secs Computing kpt #: 130 total cpu time spent up to now is 279.5 secs Computing kpt #: 131 total cpu time spent up to now is 281.9 secs Computing kpt #: 132 total cpu time spent up to now is 284.2 secs Computing kpt #: 133 total cpu time spent up to now is 286.5 secs Computing kpt #: 134 total cpu time spent up to now is 288.9 secs Computing kpt #: 135 total cpu time spent up to now is 291.3 secs Computing kpt #: 136 total cpu time spent up to now is 293.8 secs Computing kpt #: 137 total cpu time spent up to now is 296.3 secs Computing kpt #: 138 total cpu time spent up to now is 298.9 secs Computing kpt #: 139 total cpu time spent up to now is 301.4 secs Computing kpt #: 140 total cpu time spent up to now is 303.9 secs Computing kpt #: 141 total cpu time spent up to now is 306.5 secs Computing kpt #: 142 total cpu time spent up to now is 309.0 secs Computing kpt #: 143 total cpu time spent up to now is 311.4 secs Computing kpt #: 144 total cpu time spent up to now is 313.9 secs Computing kpt #: 145 total cpu time spent up to now is 316.3 secs Computing kpt #: 146 total cpu time spent up to now is 318.8 secs Computing kpt #: 147 total cpu time spent up to now is 321.3 secs Computing kpt #: 148 total cpu time spent up to now is 323.7 secs Computing kpt #: 149 total cpu time spent up to now is 326.1 secs Computing kpt #: 150 total cpu time spent up to now is 328.5 secs Computing kpt #: 151 total cpu time spent up to now is 330.8 secs Computing kpt #: 152 total cpu time spent up to now is 333.1 secs Computing kpt #: 153 total cpu time spent up to now is 335.5 secs Computing kpt #: 154 total cpu time spent up to now is 337.8 secs Computing kpt #: 155 total cpu time spent up to now is 340.1 secs Computing kpt #: 156 total cpu time spent up to now is 342.4 secs Computing kpt #: 157 total cpu time spent up to now is 344.8 secs Computing kpt #: 158 total cpu time spent up to now is 347.1 secs Computing kpt #: 159 total cpu time spent up to now is 349.4 secs Computing kpt #: 160 total cpu time spent up to now is 351.6 secs Computing kpt #: 161 total cpu time spent up to now is 354.0 secs Computing kpt #: 162 total cpu time spent up to now is 356.3 secs Computing kpt #: 163 total cpu time spent up to now is 358.5 secs Computing kpt #: 164 total cpu time spent up to now is 360.8 secs Computing kpt #: 165 total cpu time spent up to now is 363.0 secs Computing kpt #: 166 total cpu time spent up to now is 365.3 secs Computing kpt #: 167 total cpu time spent up to now is 367.5 secs Computing kpt #: 168 total cpu time spent up to now is 369.7 secs Computing kpt #: 169 total cpu time spent up to now is 372.0 secs Computing kpt #: 170 total cpu time spent up to now is 374.2 secs Computing kpt #: 171 total cpu time spent up to now is 376.4 secs Computing kpt #: 172 total cpu time spent up to now is 378.4 secs Computing kpt #: 173 total cpu time spent up to now is 380.3 secs Computing kpt #: 174 total cpu time spent up to now is 382.3 secs Computing kpt #: 175 total cpu time spent up to now is 384.3 secs Computing kpt #: 176 total cpu time spent up to now is 386.2 secs Computing kpt #: 177 total cpu time spent up to now is 388.1 secs Computing kpt #: 178 total cpu time spent up to now is 390.1 secs Computing kpt #: 179 total cpu time spent up to now is 392.1 secs Computing kpt #: 180 total cpu time spent up to now is 394.0 secs Computing kpt #: 181 total cpu time spent up to now is 396.0 secs Computing kpt #: 182 total cpu time spent up to now is 398.0 secs Computing kpt #: 183 total cpu time spent up to now is 399.9 secs Computing kpt #: 184 total cpu time spent up to now is 401.9 secs Computing kpt #: 185 total cpu time spent up to now is 403.9 secs Computing kpt #: 186 total cpu time spent up to now is 405.8 secs Computing kpt #: 187 total cpu time spent up to now is 407.8 secs Computing kpt #: 188 total cpu time spent up to now is 410.0 secs Computing kpt #: 189 total cpu time spent up to now is 412.3 secs Computing kpt #: 190 total cpu time spent up to now is 414.5 secs Computing kpt #: 191 total cpu time spent up to now is 416.8 secs Computing kpt #: 192 total cpu time spent up to now is 419.1 secs Computing kpt #: 193 total cpu time spent up to now is 421.4 secs Computing kpt #: 194 total cpu time spent up to now is 423.7 secs Computing kpt #: 195 total cpu time spent up to now is 426.0 secs Computing kpt #: 196 total cpu time spent up to now is 428.4 secs Computing kpt #: 197 total cpu time spent up to now is 430.7 secs Computing kpt #: 198 total cpu time spent up to now is 433.1 secs Computing kpt #: 199 total cpu time spent up to now is 435.5 secs Computing kpt #: 200 total cpu time spent up to now is 438.0 secs Computing kpt #: 201 total cpu time spent up to now is 440.6 secs Computing kpt #: 202 total cpu time spent up to now is 443.1 secs Computing kpt #: 203 total cpu time spent up to now is 445.6 secs Computing kpt #: 204 total cpu time spent up to now is 448.1 secs Computing kpt #: 205 total cpu time spent up to now is 450.7 secs Computing kpt #: 206 total cpu time spent up to now is 454.4 secs Computing kpt #: 207 total cpu time spent up to now is 457.3 secs Computing kpt #: 208 total cpu time spent up to now is 459.8 secs Computing kpt #: 209 total cpu time spent up to now is 462.2 secs Computing kpt #: 210 total cpu time spent up to now is 464.7 secs Computing kpt #: 211 total cpu time spent up to now is 467.1 secs Computing kpt #: 212 total cpu time spent up to now is 469.5 secs Computing kpt #: 213 total cpu time spent up to now is 471.9 secs Computing kpt #: 214 total cpu time spent up to now is 474.2 secs Computing kpt #: 215 total cpu time spent up to now is 476.6 secs Computing kpt #: 216 total cpu time spent up to now is 479.0 secs Computing kpt #: 217 total cpu time spent up to now is 481.3 secs Computing kpt #: 218 total cpu time spent up to now is 483.6 secs Computing kpt #: 219 total cpu time spent up to now is 485.9 secs Computing kpt #: 220 total cpu time spent up to now is 488.3 secs Computing kpt #: 221 total cpu time spent up to now is 490.6 secs Computing kpt #: 222 total cpu time spent up to now is 492.9 secs Computing kpt #: 223 total cpu time spent up to now is 495.2 secs Computing kpt #: 224 total cpu time spent up to now is 497.5 secs Computing kpt #: 225 total cpu time spent up to now is 499.8 secs Computing kpt #: 226 total cpu time spent up to now is 502.0 secs Computing kpt #: 227 total cpu time spent up to now is 504.3 secs Computing kpt #: 228 total cpu time spent up to now is 506.6 secs Computing kpt #: 229 total cpu time spent up to now is 508.9 secs Computing kpt #: 230 total cpu time spent up to now is 511.1 secs Computing kpt #: 231 total cpu time spent up to now is 513.4 secs Computing kpt #: 232 total cpu time spent up to now is 515.6 secs Computing kpt #: 233 total cpu time spent up to now is 517.8 secs Computing kpt #: 234 total cpu time spent up to now is 520.1 secs Computing kpt #: 235 total cpu time spent up to now is 522.3 secs Computing kpt #: 236 total cpu time spent up to now is 524.5 secs Computing kpt #: 237 total cpu time spent up to now is 526.7 secs Computing kpt #: 238 total cpu time spent up to now is 528.9 secs Computing kpt #: 239 total cpu time spent up to now is 531.1 secs ethr = 1.35E-08, avg # of iterations = 23.7 total cpu time spent up to now is 531.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 15065 PWs) bands (ev): -67.7861 -67.7861 -39.9790 -39.9790 -39.0189 -39.0189 -39.0186 -39.0186 -19.5232 -19.5232 -18.8941 -18.8941 -18.8941 -18.8941 -18.5987 -18.5987 -18.5699 -18.5699 -18.5699 -18.5699 -14.8827 -14.8827 -14.8353 -14.8353 -4.1614 -4.1614 -3.6834 -3.6834 -3.2203 -3.2203 -3.2203 -3.2203 -2.4169 -2.4169 -2.4169 -2.4169 -2.1424 -2.1424 -2.1424 -2.1424 -1.7948 -1.7948 -1.4130 -1.4130 -0.9223 -0.9223 -0.9223 -0.9223 -0.7152 -0.7152 -0.5134 -0.5134 -0.5134 -0.5134 0.2513 0.2513 0.2513 0.2513 0.2802 0.2802 0.4888 0.4888 0.6301 0.6301 0.6301 0.6301 1.0111 1.0111 1.0434 1.0434 1.0434 1.0434 5.5491 5.5491 5.5492 5.5492 5.5845 5.5845 8.6237 8.6237 8.7882 8.7882 8.7882 8.7882 9.7296 9.7296 9.7296 9.7296 k = 0.0143-0.0082 0.0117 ( 15057 PWs) bands (ev): -67.7859 -67.7859 -39.9790 -39.9790 -39.0188 -39.0188 -39.0185 -39.0185 -19.5231 -19.5231 -18.8941 -18.8941 -18.8941 -18.8941 -18.5988 -18.5988 -18.5699 -18.5699 -18.5699 -18.5699 -14.8827 -14.8827 -14.8354 -14.8354 -4.1608 -4.1608 -3.6835 -3.6835 -3.2195 -3.2195 -3.2192 -3.2192 -2.4174 -2.4174 -2.4168 -2.4168 -2.1424 -2.1424 -2.1417 -2.1417 -1.7944 -1.7944 -1.4134 -1.4134 -0.9237 -0.9237 -0.9233 -0.9233 -0.7154 -0.7154 -0.5139 -0.5139 -0.5138 -0.5138 0.2512 0.2512 0.2515 0.2515 0.2802 0.2802 0.4889 0.4889 0.6296 0.6296 0.6300 0.6300 1.0110 1.0110 1.0434 1.0434 1.0434 1.0434 5.5491 5.5491 5.5496 5.5496 5.5848 5.5848 8.6265 8.6265 8.7886 8.7886 8.7892 8.7892 9.7301 9.7301 9.7319 9.7319 k = 0.0286-0.0165 0.0233 ( 15021 PWs) bands (ev): -67.7849 -67.7849 -39.9789 -39.9789 -39.0187 -39.0187 -39.0184 -39.0184 -19.5230 -19.5230 -18.8941 -18.8941 -18.8941 -18.8941 -18.5988 -18.5988 -18.5700 -18.5700 -18.5699 -18.5699 -14.8827 -14.8827 -14.8356 -14.8356 -4.1588 -4.1588 -3.6837 -3.6837 -3.2170 -3.2170 -3.2159 -3.2159 -2.4189 -2.4189 -2.4163 -2.4163 -2.1421 -2.1421 -2.1399 -2.1399 -1.7933 -1.7933 -1.4147 -1.4147 -0.9279 -0.9279 -0.9262 -0.9262 -0.7160 -0.7160 -0.5154 -0.5154 -0.5150 -0.5150 0.2510 0.2510 0.2523 0.2523 0.2803 0.2803 0.4890 0.4890 0.6282 0.6282 0.6296 0.6296 1.0109 1.0109 1.0433 1.0433 1.0434 1.0434 5.5498 5.5498 5.5521 5.5521 5.5866 5.5866 8.6347 8.6347 8.7912 8.7912 8.7915 8.7915 9.7321 9.7321 9.7388 9.7388 k = 0.0429-0.0247 0.0350 ( 15009 PWs) bands (ev): -67.7846 -67.7846 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.5227 -19.5227 -18.8942 -18.8942 -18.8940 -18.8940 -18.5989 -18.5989 -18.5701 -18.5701 -18.5700 -18.5700 -14.8827 -14.8827 -14.8360 -14.8360 -4.1555 -4.1555 -3.6842 -3.6842 -3.2130 -3.2130 -3.2103 -3.2103 -2.4213 -2.4213 -2.4156 -2.4156 -2.1418 -2.1418 -2.1380 -2.1380 -1.7914 -1.7914 -1.4170 -1.4170 -0.9351 -0.9351 -0.9312 -0.9312 -0.7170 -0.7170 -0.5179 -0.5179 -0.5170 -0.5170 0.2506 0.2506 0.2534 0.2534 0.2805 0.2805 0.4892 0.4892 0.6259 0.6259 0.6289 0.6289 1.0106 1.0106 1.0431 1.0431 1.0433 1.0433 5.5495 5.5495 5.5536 5.5536 5.5876 5.5876 8.6484 8.6484 8.7896 8.7896 8.7942 8.7942 9.7351 9.7351 9.7490 9.7490 k = 0.0571-0.0330 0.0467 ( 14985 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0186 -39.0186 -39.0182 -39.0182 -19.5223 -19.5223 -18.8943 -18.8943 -18.8940 -18.8940 -18.5989 -18.5989 -18.5702 -18.5702 -18.5700 -18.5700 -14.8827 -14.8827 -14.8365 -14.8365 -4.1510 -4.1510 -3.6848 -3.6848 -3.2074 -3.2074 -3.2026 -3.2026 -2.4246 -2.4246 -2.4147 -2.4147 -2.1416 -2.1416 -2.1347 -2.1347 -1.7888 -1.7888 -1.4201 -1.4201 -0.9451 -0.9451 -0.9382 -0.9382 -0.7184 -0.7184 -0.5214 -0.5214 -0.5198 -0.5198 0.2500 0.2500 0.2549 0.2549 0.2808 0.2808 0.4895 0.4895 0.6228 0.6228 0.6281 0.6281 1.0103 1.0103 1.0429 1.0429 1.0432 1.0432 5.5489 5.5489 5.5548 5.5548 5.5884 5.5884 8.6672 8.6672 8.7907 8.7907 8.7978 8.7978 9.7392 9.7392 9.7647 9.7647 k = 0.0714-0.0412 0.0583 ( 14969 PWs) bands (ev): -67.7836 -67.7836 -39.9787 -39.9787 -39.0185 -39.0185 -39.0181 -39.0181 -19.5218 -19.5218 -18.8945 -18.8945 -18.8940 -18.8940 -18.5990 -18.5990 -18.5704 -18.5704 -18.5701 -18.5701 -14.8827 -14.8827 -14.8371 -14.8371 -4.1453 -4.1453 -3.6856 -3.6856 -3.2003 -3.2003 -3.1927 -3.1927 -2.4287 -2.4287 -2.4135 -2.4135 -2.1415 -2.1415 -2.1312 -2.1312 -1.7855 -1.7855 -1.4241 -1.4241 -0.9577 -0.9577 -0.9471 -0.9471 -0.7203 -0.7203 -0.5259 -0.5259 -0.5234 -0.5234 0.2491 0.2491 0.2568 0.2568 0.2812 0.2812 0.4896 0.4896 0.6191 0.6191 0.6270 0.6270 1.0098 1.0098 1.0425 1.0425 1.0430 1.0430 5.5480 5.5480 5.5563 5.5563 5.5896 5.5896 8.6907 8.6907 8.7888 8.7888 8.8017 8.8017 9.7442 9.7442 9.7848 9.7848 k = 0.0857-0.0495 0.0700 ( 14969 PWs) bands (ev): -67.7836 -67.7836 -39.9787 -39.9787 -39.0185 -39.0185 -39.0181 -39.0181 -19.5212 -19.5212 -18.8947 -18.8947 -18.8940 -18.8940 -18.5992 -18.5992 -18.5706 -18.5706 -18.5701 -18.5701 -14.8826 -14.8826 -14.8379 -14.8379 -4.1383 -4.1383 -3.6865 -3.6865 -3.1917 -3.1917 -3.1806 -3.1806 -2.4335 -2.4335 -2.4122 -2.4122 -2.1411 -2.1411 -2.1275 -2.1275 -1.7816 -1.7816 -1.4290 -1.4290 -0.9730 -0.9730 -0.9580 -0.9580 -0.7226 -0.7226 -0.5314 -0.5314 -0.5279 -0.5279 0.2479 0.2479 0.2588 0.2588 0.2818 0.2818 0.4895 0.4895 0.6150 0.6150 0.6258 0.6258 1.0093 1.0093 1.0422 1.0422 1.0428 1.0428 5.5462 5.5462 5.5563 5.5563 5.5895 5.5895 8.7180 8.7180 8.7841 8.7841 8.8073 8.8073 9.7506 9.7506 9.8097 9.8097 k = 0.1000-0.0577 0.0816 ( 14969 PWs) bands (ev): -67.7836 -67.7836 -39.9787 -39.9787 -39.0185 -39.0185 -39.0181 -39.0181 -19.5205 -19.5205 -18.8949 -18.8949 -18.8939 -18.8939 -18.5993 -18.5993 -18.5708 -18.5708 -18.5702 -18.5702 -14.8826 -14.8826 -14.8388 -14.8388 -4.1302 -4.1302 -3.6875 -3.6875 -3.1817 -3.1817 -3.1664 -3.1664 -2.4389 -2.4389 -2.4107 -2.4107 -2.1409 -2.1409 -2.1230 -2.1230 -1.7771 -1.7771 -1.4347 -1.4347 -0.9908 -0.9908 -0.9707 -0.9707 -0.7253 -0.7253 -0.5378 -0.5378 -0.5332 -0.5332 0.2463 0.2463 0.2610 0.2610 0.2826 0.2826 0.4890 0.4890 0.6108 0.6108 0.6246 0.6246 1.0086 1.0086 1.0417 1.0417 1.0425 1.0425 5.5446 5.5446 5.5549 5.5549 5.5886 5.5886 8.7455 8.7455 8.7851 8.7851 8.8125 8.8125 9.7578 9.7578 9.8409 9.8409 k = 0.1143-0.0660 0.0933 ( 14981 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0186 -39.0186 -39.0182 -39.0182 -19.5198 -19.5198 -18.8951 -18.8951 -18.8939 -18.8939 -18.5995 -18.5995 -18.5710 -18.5710 -18.5703 -18.5703 -14.8826 -14.8826 -14.8399 -14.8399 -4.1210 -4.1210 -3.6886 -3.6886 -3.1704 -3.1704 -3.1500 -3.1500 -2.4447 -2.4447 -2.4092 -2.4092 -2.1410 -2.1410 -2.1177 -2.1177 -1.7719 -1.7719 -1.4411 -1.4411 -1.0108 -1.0108 -0.9854 -0.9854 -0.7285 -0.7285 -0.5451 -0.5451 -0.5394 -0.5394 0.2444 0.2444 0.2633 0.2633 0.2836 0.2836 0.4879 0.4879 0.6068 0.6068 0.6233 0.6233 1.0077 1.0077 1.0413 1.0413 1.0421 1.0421 5.5408 5.5408 5.5525 5.5525 5.5865 5.5865 8.7595 8.7595 8.8042 8.8042 8.8166 8.8166 9.7657 9.7657 9.8785 9.8785 k = 0.1286-0.0742 0.1050 ( 14985 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5189 -19.5189 -18.8954 -18.8954 -18.8938 -18.8938 -18.5997 -18.5997 -18.5713 -18.5713 -18.5704 -18.5704 -14.8826 -14.8826 -14.8410 -14.8410 -4.1107 -4.1107 -3.6898 -3.6898 -3.1577 -3.1577 -3.1315 -3.1315 -2.4509 -2.4509 -2.4076 -2.4076 -2.1407 -2.1407 -2.1127 -2.1127 -1.7662 -1.7662 -1.4479 -1.4479 -1.0326 -1.0326 -1.0018 -1.0018 -0.7320 -0.7320 -0.5533 -0.5533 -0.5464 -0.5464 0.2422 0.2422 0.2655 0.2655 0.2848 0.2848 0.4860 0.4860 0.6033 0.6033 0.6220 0.6220 1.0068 1.0068 1.0407 1.0407 1.0416 1.0416 5.5379 5.5379 5.5512 5.5512 5.5855 5.5855 8.7544 8.7544 8.8234 8.8234 8.8405 8.8405 9.7751 9.7751 9.9219 9.9219 k = 0.1429-0.0825 0.1166 ( 14984 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5180 -19.5180 -18.8957 -18.8957 -18.8938 -18.8938 -18.5999 -18.5999 -18.5716 -18.5716 -18.5705 -18.5705 -14.8825 -14.8825 -14.8423 -14.8423 -4.0995 -4.0995 -3.6910 -3.6910 -3.1437 -3.1437 -3.1110 -3.1110 -2.4574 -2.4574 -2.4061 -2.4061 -2.1405 -2.1405 -2.1075 -2.1075 -1.7599 -1.7599 -1.4551 -1.4551 -1.0562 -1.0562 -1.0198 -1.0198 -0.7359 -0.7359 -0.5624 -0.5624 -0.5543 -0.5543 0.2396 0.2396 0.2676 0.2676 0.2861 0.2861 0.4829 0.4829 0.6007 0.6007 0.6207 0.6207 1.0057 1.0057 1.0401 1.0401 1.0410 1.0410 5.5347 5.5347 5.5509 5.5509 5.5853 5.5853 8.7438 8.7438 8.8298 8.8298 8.8840 8.8840 9.7853 9.7853 9.9720 9.9720 k = 0.1571-0.0907 0.1283 ( 14968 PWs) bands (ev): -67.7836 -67.7836 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5170 -19.5170 -18.8960 -18.8960 -18.8938 -18.8938 -18.6001 -18.6001 -18.5719 -18.5719 -18.5706 -18.5706 -14.8825 -14.8825 -14.8436 -14.8436 -4.0873 -4.0873 -3.6923 -3.6923 -3.1284 -3.1284 -3.0883 -3.0883 -2.4641 -2.4641 -2.4048 -2.4048 -2.1401 -2.1401 -2.1023 -2.1023 -1.7531 -1.7531 -1.4626 -1.4626 -1.0812 -1.0812 -1.0393 -1.0393 -0.7401 -0.7401 -0.5722 -0.5722 -0.5631 -0.5631 0.2367 0.2367 0.2696 0.2696 0.2874 0.2874 0.4785 0.4785 0.5993 0.5993 0.6196 0.6196 1.0045 1.0045 1.0395 1.0395 1.0402 1.0402 5.5321 5.5321 5.5519 5.5519 5.5865 5.5865 8.7293 8.7293 8.8378 8.8378 8.9313 8.9313 9.7967 9.7967 10.0287 10.0287 k = 0.1714-0.0990 0.1400 ( 14968 PWs) bands (ev): -67.7836 -67.7836 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5160 -19.5160 -18.8964 -18.8964 -18.8937 -18.8937 -18.6004 -18.6004 -18.5723 -18.5723 -18.5707 -18.5707 -14.8825 -14.8825 -14.8450 -14.8450 -4.0743 -4.0743 -3.6936 -3.6936 -3.1120 -3.1120 -3.0637 -3.0637 -2.4709 -2.4709 -2.4036 -2.4036 -2.1398 -2.1398 -2.0970 -2.0970 -1.7460 -1.7460 -1.4704 -1.4704 -1.1077 -1.1077 -1.0604 -1.0604 -0.7447 -0.7447 -0.5828 -0.5828 -0.5728 -0.5728 0.2335 0.2335 0.2713 0.2713 0.2888 0.2888 0.4728 0.4728 0.5992 0.5992 0.6186 0.6186 1.0031 1.0031 1.0389 1.0389 1.0393 1.0393 5.5281 5.5281 5.5509 5.5509 5.5858 5.5858 8.7132 8.7132 8.8458 8.8458 8.9816 8.9816 9.8090 9.8090 10.0915 10.0915 k = 0.1857-0.1072 0.1516 ( 14964 PWs) bands (ev): -67.7835 -67.7835 -39.9787 -39.9787 -39.0184 -39.0184 -39.0182 -39.0182 -19.5148 -19.5148 -18.8967 -18.8967 -18.8936 -18.8936 -18.6006 -18.6006 -18.5727 -18.5727 -18.5708 -18.5708 -14.8825 -14.8825 -14.8465 -14.8465 -4.0606 -4.0606 -3.6949 -3.6949 -3.0946 -3.0946 -3.0371 -3.0371 -2.4777 -2.4777 -2.4027 -2.4027 -2.1395 -2.1395 -2.0917 -2.0917 -1.7384 -1.7384 -1.4784 -1.4784 -1.1353 -1.1353 -1.0828 -1.0828 -0.7496 -0.7496 -0.5941 -0.5941 -0.5833 -0.5833 0.2302 0.2302 0.2729 0.2729 0.2903 0.2903 0.4658 0.4658 0.6004 0.6004 0.6179 0.6179 1.0016 1.0016 1.0382 1.0382 1.0383 1.0383 5.5240 5.5240 5.5507 5.5507 5.5859 5.5859 8.6947 8.6947 8.8536 8.8536 9.0343 9.0343 9.8220 9.8220 10.1591 10.1591 k = 0.2000-0.1155 0.1633 ( 14964 PWs) bands (ev): -67.7836 -67.7836 -39.9787 -39.9787 -39.0184 -39.0184 -39.0181 -39.0181 -19.5137 -19.5137 -18.8971 -18.8971 -18.8936 -18.8936 -18.6009 -18.6009 -18.5730 -18.5730 -18.5710 -18.5710 -14.8824 -14.8824 -14.8481 -14.8481 -4.0462 -4.0462 -3.6962 -3.6962 -3.0761 -3.0761 -3.0086 -3.0086 -2.4846 -2.4846 -2.4022 -2.4022 -2.1395 -2.1395 -2.0866 -2.0866 -1.7306 -1.7306 -1.4864 -1.4864 -1.1638 -1.1638 -1.1065 -1.1065 -0.7547 -0.7547 -0.6060 -0.6060 -0.5947 -0.5947 0.2266 0.2266 0.2743 0.2743 0.2917 0.2917 0.4575 0.4575 0.6029 0.6029 0.6174 0.6174 1.0000 1.0000 1.0371 1.0371 1.0376 1.0376 5.5205 5.5205 5.5508 5.5508 5.5864 5.5864 8.6732 8.6732 8.8599 8.8599 9.0888 9.0888 9.8356 9.8356 10.2275 10.2275 k = 0.2143-0.1237 0.1750 ( 14940 PWs) bands (ev): -67.7829 -67.7829 -39.9786 -39.9786 -39.0183 -39.0183 -39.0180 -39.0180 -19.5125 -19.5125 -18.8975 -18.8975 -18.8935 -18.8935 -18.6012 -18.6012 -18.5734 -18.5734 -18.5711 -18.5711 -14.8824 -14.8824 -14.8496 -14.8496 -4.0312 -4.0312 -3.6975 -3.6975 -3.0566 -3.0566 -2.9783 -2.9783 -2.4912 -2.4912 -2.4020 -2.4020 -2.1392 -2.1392 -2.0813 -2.0813 -1.7225 -1.7225 -1.4945 -1.4945 -1.1929 -1.1929 -1.1313 -1.1313 -0.7600 -0.7600 -0.6184 -0.6184 -0.6069 -0.6069 0.2229 0.2229 0.2755 0.2755 0.2931 0.2931 0.4484 0.4484 0.6064 0.6064 0.6171 0.6171 0.9982 0.9982 1.0358 1.0358 1.0369 1.0369 5.5166 5.5166 5.5517 5.5517 5.5877 5.5877 8.6534 8.6534 8.8678 8.8678 9.1451 9.1451 9.8502 9.8502 10.2865 10.2865 k = 0.2286-0.1320 0.1866 ( 14932 PWs) bands (ev): -67.7828 -67.7828 -39.9785 -39.9785 -39.0183 -39.0183 -39.0180 -39.0180 -19.5112 -19.5112 -18.8979 -18.8979 -18.8935 -18.8935 -18.6015 -18.6015 -18.5738 -18.5738 -18.5712 -18.5712 -14.8824 -14.8824 -14.8513 -14.8513 -4.0158 -4.0158 -3.6988 -3.6988 -3.0363 -3.0363 -2.9462 -2.9462 -2.4978 -2.4978 -2.4023 -2.4023 -2.1390 -2.1390 -2.0765 -2.0765 -1.7142 -1.7142 -1.5028 -1.5028 -1.2226 -1.2226 -1.1569 -1.1569 -0.7655 -0.7655 -0.6314 -0.6314 -0.6199 -0.6199 0.2191 0.2191 0.2765 0.2765 0.2944 0.2944 0.4385 0.4385 0.6108 0.6108 0.6170 0.6170 0.9963 0.9963 1.0343 1.0343 1.0362 1.0362 5.5126 5.5126 5.5519 5.5519 5.5884 5.5884 8.6300 8.6300 8.8751 8.8751 9.2025 9.2025 9.8653 9.8653 10.3204 10.3204 k = 0.2429-0.1402 0.1983 ( 14952 PWs) bands (ev): -67.7833 -67.7833 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5100 -19.5100 -18.8983 -18.8983 -18.8934 -18.8934 -18.6018 -18.6018 -18.5742 -18.5742 -18.5714 -18.5714 -14.8823 -14.8823 -14.8529 -14.8529 -4.0000 -4.0000 -3.7001 -3.7001 -3.0153 -3.0153 -2.9126 -2.9126 -2.5045 -2.5045 -2.4030 -2.4030 -2.1388 -2.1388 -2.0724 -2.0724 -1.7060 -1.7060 -1.5115 -1.5115 -1.2526 -1.2526 -1.1833 -1.1833 -0.7711 -0.7711 -0.6447 -0.6447 -0.6336 -0.6336 0.2152 0.2152 0.2772 0.2772 0.2957 0.2957 0.4282 0.4282 0.6158 0.6158 0.6173 0.6173 0.9943 0.9943 1.0327 1.0327 1.0356 1.0356 5.5072 5.5072 5.5502 5.5502 5.5872 5.5872 8.6028 8.6028 8.8821 8.8821 9.2607 9.2607 9.8809 9.8809 10.3336 10.3336 k = 0.2571-0.1485 0.2100 ( 14952 PWs) bands (ev): -67.7833 -67.7833 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5088 -19.5088 -18.8987 -18.8987 -18.8934 -18.8934 -18.6021 -18.6021 -18.5746 -18.5746 -18.5715 -18.5715 -14.8823 -14.8823 -14.8546 -14.8546 -3.9840 -3.9840 -3.7013 -3.7013 -2.9936 -2.9936 -2.8773 -2.8773 -2.5108 -2.5108 -2.4042 -2.4042 -2.1386 -2.1386 -2.0683 -2.0683 -1.6978 -1.6978 -1.5205 -1.5205 -1.2826 -1.2826 -1.2099 -1.2099 -0.7767 -0.7767 -0.6584 -0.6584 -0.6479 -0.6479 0.2112 0.2112 0.2779 0.2779 0.2969 0.2969 0.4176 0.4176 0.6177 0.6177 0.6214 0.6214 0.9922 0.9922 1.0310 1.0310 1.0349 1.0349 5.5019 5.5019 5.5498 5.5498 5.5873 5.5873 8.5775 8.5775 8.8891 8.8891 9.3195 9.3195 9.8970 9.8970 10.3395 10.3395 k = 0.2714-0.1567 0.2216 ( 14972 PWs) bands (ev): -67.7838 -67.7838 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5076 -19.5076 -18.8991 -18.8991 -18.8933 -18.8933 -18.6025 -18.6025 -18.5750 -18.5750 -18.5717 -18.5717 -14.8822 -14.8822 -14.8562 -14.8562 -3.9678 -3.9678 -3.7026 -3.7026 -2.9712 -2.9712 -2.8407 -2.8407 -2.5171 -2.5171 -2.4058 -2.4058 -2.1385 -2.1385 -2.0648 -2.0648 -1.6897 -1.6897 -1.5303 -1.5303 -1.3124 -1.3124 -1.2364 -1.2364 -0.7824 -0.7824 -0.6722 -0.6722 -0.6628 -0.6628 0.2073 0.2073 0.2784 0.2784 0.2980 0.2980 0.4069 0.4069 0.6184 0.6184 0.6272 0.6272 0.9900 0.9900 1.0291 1.0291 1.0343 1.0343 5.4964 5.4964 5.5477 5.5477 5.5859 5.5859 8.5500 8.5500 8.8957 8.8957 9.3785 9.3785 9.9134 9.9134 10.3418 10.3418 k = 0.2857-0.1650 0.2333 ( 14980 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5063 -19.5063 -18.8994 -18.8994 -18.8933 -18.8933 -18.6028 -18.6028 -18.5754 -18.5754 -18.5718 -18.5718 -14.8822 -14.8822 -14.8578 -14.8578 -3.9517 -3.9517 -3.7038 -3.7038 -2.9484 -2.9484 -2.8030 -2.8030 -2.5231 -2.5231 -2.4077 -2.4077 -2.1386 -2.1386 -2.0614 -2.0614 -1.6819 -1.6819 -1.5413 -1.5413 -1.3415 -1.3415 -1.2621 -1.2621 -0.7881 -0.7881 -0.6862 -0.6862 -0.6781 -0.6781 0.2034 0.2034 0.2788 0.2788 0.2991 0.2991 0.3963 0.3963 0.6194 0.6194 0.6333 0.6333 0.9877 0.9877 1.0272 1.0272 1.0337 1.0337 5.4902 5.4902 5.5468 5.5468 5.5855 5.5855 8.5252 8.5252 8.9006 8.9006 9.4376 9.4376 9.9298 9.9298 10.3436 10.3436 k = 0.3000-0.1732 0.2449 ( 14988 PWs) bands (ev): -67.7842 -67.7842 -39.9787 -39.9787 -39.0186 -39.0186 -39.0182 -39.0182 -19.5051 -19.5051 -18.8998 -18.8998 -18.8932 -18.8932 -18.6031 -18.6031 -18.5757 -18.5757 -18.5719 -18.5719 -14.8822 -14.8822 -14.8594 -14.8594 -3.9356 -3.9356 -3.7049 -3.7049 -2.9251 -2.9251 -2.7642 -2.7642 -2.5290 -2.5290 -2.4098 -2.4098 -2.1384 -2.1384 -2.0588 -2.0588 -1.6746 -1.6746 -1.5542 -1.5542 -1.3699 -1.3699 -1.2863 -1.2863 -0.7937 -0.7937 -0.7001 -0.7001 -0.6938 -0.6938 0.1996 0.1996 0.2791 0.2791 0.3000 0.3000 0.3860 0.3860 0.6205 0.6205 0.6394 0.6394 0.9854 0.9854 1.0253 1.0253 1.0332 1.0332 5.4852 5.4852 5.5456 5.5456 5.5850 5.5850 8.4988 8.4988 8.9064 8.9064 9.4963 9.4963 9.9463 9.9463 10.3444 10.3444 k = 0.3143-0.1815 0.2566 ( 14972 PWs) bands (ev): -67.7838 -67.7838 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5039 -19.5039 -18.9002 -18.9002 -18.8932 -18.8932 -18.6034 -18.6034 -18.5761 -18.5761 -18.5721 -18.5721 -14.8821 -14.8821 -14.8609 -14.8609 -3.9198 -3.9198 -3.7060 -3.7060 -2.9015 -2.9015 -2.7247 -2.7247 -2.5347 -2.5347 -2.4117 -2.4117 -2.1382 -2.1382 -2.0563 -2.0563 -1.6678 -1.6678 -1.5695 -1.5695 -1.3968 -1.3968 -1.3082 -1.3082 -0.7992 -0.7992 -0.7138 -0.7138 -0.7098 -0.7098 0.1958 0.1958 0.2794 0.2794 0.3009 0.3009 0.3760 0.3760 0.6217 0.6217 0.6455 0.6455 0.9831 0.9831 1.0233 1.0233 1.0326 1.0326 5.4801 5.4801 5.5465 5.5465 5.5863 5.5863 8.4752 8.4752 8.9123 8.9123 9.5542 9.5542 9.9627 9.9627 10.3455 10.3455 k = 0.3286-0.1897 0.2683 ( 14984 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5028 -19.5028 -18.9005 -18.9005 -18.8931 -18.8931 -18.6037 -18.6037 -18.5764 -18.5764 -18.5722 -18.5722 -14.8821 -14.8821 -14.8624 -14.8624 -3.9044 -3.9044 -3.7071 -3.7071 -2.8778 -2.8778 -2.6851 -2.6851 -2.5404 -2.5404 -2.4131 -2.4131 -2.1381 -2.1381 -2.0548 -2.0548 -1.6619 -1.6619 -1.5883 -1.5883 -1.4223 -1.4223 -1.3272 -1.3272 -0.8045 -0.8045 -0.7273 -0.7273 -0.7258 -0.7258 0.1923 0.1923 0.2795 0.2795 0.3017 0.3017 0.3664 0.3664 0.6231 0.6231 0.6514 0.6514 0.9808 0.9808 1.0212 1.0212 1.0321 1.0321 5.4740 5.4740 5.5453 5.5453 5.5856 5.5856 8.4505 8.4505 8.9175 8.9175 9.6110 9.6110 9.9788 9.9788 10.3458 10.3458 k = 0.3429-0.1979 0.2799 ( 14968 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5017 -19.5017 -18.9009 -18.9009 -18.8930 -18.8930 -18.6040 -18.6040 -18.5768 -18.5768 -18.5723 -18.5723 -14.8821 -14.8821 -14.8638 -14.8638 -3.8895 -3.8895 -3.7081 -3.7081 -2.8540 -2.8540 -2.6460 -2.6460 -2.5461 -2.5461 -2.4131 -2.4131 -2.1376 -2.1376 -2.0539 -2.0539 -1.6571 -1.6571 -1.6107 -1.6107 -1.4456 -1.4456 -1.3426 -1.3426 -0.8097 -0.8097 -0.7418 -0.7418 -0.7405 -0.7405 0.1888 0.1888 0.2797 0.2797 0.3025 0.3025 0.3574 0.3574 0.6245 0.6245 0.6571 0.6571 0.9786 0.9786 1.0192 1.0192 1.0317 1.0317 5.4704 5.4704 5.5459 5.5459 5.5867 5.5867 8.4267 8.4267 8.9244 8.9244 9.6664 9.6664 9.9944 9.9944 10.3459 10.3459 k = 0.3571-0.2062 0.2916 ( 14952 PWs) bands (ev): -67.7833 -67.7833 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5007 -19.5007 -18.9012 -18.9012 -18.8930 -18.8930 -18.6043 -18.6043 -18.5771 -18.5771 -18.5724 -18.5724 -14.8820 -14.8820 -14.8651 -14.8651 -3.8752 -3.8752 -3.7090 -3.7090 -2.8303 -2.8303 -2.6087 -2.6087 -2.5517 -2.5517 -2.4108 -2.4108 -2.1374 -2.1374 -2.0534 -2.0534 -1.6537 -1.6537 -1.6371 -1.6371 -1.4663 -1.4663 -1.3542 -1.3542 -0.8145 -0.8145 -0.7575 -0.7575 -0.7530 -0.7530 0.1856 0.1856 0.2798 0.2798 0.3032 0.3032 0.3490 0.3490 0.6260 0.6260 0.6625 0.6625 0.9764 0.9764 1.0173 1.0173 1.0312 1.0312 5.4668 5.4668 5.5466 5.5466 5.5879 5.5879 8.4055 8.4055 8.9296 8.9296 9.7198 9.7198 10.0094 10.0094 10.3461 10.3461 k = 0.3714-0.2144 0.3033 ( 14956 PWs) bands (ev): -67.7834 -67.7834 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.4998 -19.4998 -18.9015 -18.9015 -18.8930 -18.8930 -18.6045 -18.6045 -18.5774 -18.5774 -18.5725 -18.5725 -14.8820 -14.8820 -14.8664 -14.8664 -3.8618 -3.8618 -3.7099 -3.7099 -2.8069 -2.8069 -2.5751 -2.5751 -2.5574 -2.5574 -2.4040 -2.4040 -2.1373 -2.1373 -2.0536 -2.0536 -1.6674 -1.6674 -1.6520 -1.6520 -1.4843 -1.4843 -1.3625 -1.3625 -0.8191 -0.8191 -0.7728 -0.7728 -0.7650 -0.7650 0.1826 0.1826 0.2799 0.2799 0.3038 0.3038 0.3412 0.3412 0.6275 0.6275 0.6676 0.6676 0.9743 0.9743 1.0154 1.0154 1.0308 1.0308 5.4633 5.4633 5.5446 5.5446 5.5864 5.5864 8.3860 8.3860 8.9337 8.9337 9.7709 9.7709 10.0235 10.0235 10.3462 10.3462 k = 0.3857-0.2227 0.3149 ( 14968 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4989 -19.4989 -18.9018 -18.9018 -18.8929 -18.8929 -18.6048 -18.6048 -18.5776 -18.5776 -18.5726 -18.5726 -14.8820 -14.8820 -14.8675 -14.8675 -3.8493 -3.8493 -3.7107 -3.7107 -2.7839 -2.7839 -2.5634 -2.5634 -2.5479 -2.5479 -2.3902 -2.3902 -2.1373 -2.1373 -2.0546 -2.0546 -1.7012 -1.7012 -1.6523 -1.6523 -1.4989 -1.4989 -1.3677 -1.3677 -0.8233 -0.8233 -0.7874 -0.7874 -0.7761 -0.7761 0.1799 0.1799 0.2800 0.2800 0.3044 0.3044 0.3342 0.3342 0.6289 0.6289 0.6722 0.6722 0.9723 0.9723 1.0136 1.0136 1.0305 1.0305 5.4590 5.4590 5.5435 5.5435 5.5858 5.5858 8.3659 8.3659 8.9369 8.9369 9.8191 9.8191 10.0367 10.0367 10.3450 10.3450 k = 0.4000-0.2309 0.3266 ( 14952 PWs) bands (ev): -67.7833 -67.7833 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.4981 -19.4981 -18.9020 -18.9020 -18.8929 -18.8929 -18.6050 -18.6050 -18.5778 -18.5778 -18.5727 -18.5727 -14.8820 -14.8820 -14.8685 -14.8685 -3.8379 -3.8379 -3.7114 -3.7114 -2.7615 -2.7615 -2.5697 -2.5697 -2.5290 -2.5290 -2.3674 -2.3674 -2.1370 -2.1370 -2.0561 -2.0561 -1.7377 -1.7377 -1.6544 -1.6544 -1.5098 -1.5098 -1.3704 -1.3704 -0.8272 -0.8272 -0.8011 -0.8011 -0.7863 -0.7863 0.1774 0.1774 0.2800 0.2800 0.3049 0.3049 0.3279 0.3279 0.6302 0.6302 0.6765 0.6765 0.9705 0.9705 1.0119 1.0119 1.0302 1.0302 5.4564 5.4564 5.5444 5.5444 5.5871 5.5871 8.3487 8.3487 8.9414 8.9414 9.8638 9.8638 10.0487 10.0487 10.3439 10.3439 k = 0.4143-0.2392 0.3383 ( 14968 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4974 -19.4974 -18.9022 -18.9022 -18.8929 -18.8929 -18.6052 -18.6052 -18.5781 -18.5781 -18.5728 -18.5728 -14.8820 -14.8820 -14.8694 -14.8694 -3.8276 -3.8276 -3.7121 -3.7121 -2.7400 -2.7400 -2.5765 -2.5765 -2.5181 -2.5181 -2.3363 -2.3363 -2.1371 -2.1371 -2.0580 -2.0580 -1.7767 -1.7767 -1.6582 -1.6582 -1.5177 -1.5177 -1.3713 -1.3713 -0.8306 -0.8306 -0.8137 -0.8137 -0.7954 -0.7954 0.1752 0.1752 0.2800 0.2800 0.3054 0.3054 0.3225 0.3225 0.6315 0.6315 0.6802 0.6802 0.9689 0.9689 1.0104 1.0104 1.0299 1.0299 5.4519 5.4519 5.5434 5.5434 5.5865 5.5865 8.3330 8.3330 8.9430 8.9430 9.9046 9.9046 10.0594 10.0594 10.3422 10.3422 k = 0.4286-0.2474 0.3499 ( 14960 PWs) bands (ev): -67.7835 -67.7835 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.4968 -19.4968 -18.9024 -18.9024 -18.8928 -18.8928 -18.6054 -18.6054 -18.5782 -18.5782 -18.5728 -18.5728 -14.8819 -14.8819 -14.8702 -14.8702 -3.8188 -3.8188 -3.7126 -3.7126 -2.7193 -2.7193 -2.5838 -2.5838 -2.5126 -2.5126 -2.2993 -2.2993 -2.1370 -2.1370 -2.0602 -2.0602 -1.8170 -1.8170 -1.6629 -1.6629 -1.5228 -1.5228 -1.3710 -1.3710 -0.8336 -0.8336 -0.8250 -0.8250 -0.8033 -0.8033 0.1733 0.1733 0.2800 0.2800 0.3058 0.3058 0.3178 0.3178 0.6326 0.6326 0.6834 0.6834 0.9674 0.9674 1.0091 1.0091 1.0297 1.0297 5.4500 5.4500 5.5443 5.5443 5.5876 5.5876 8.3193 8.3193 8.9452 8.9452 9.9409 9.9409 10.0688 10.0688 10.3401 10.3401 k = 0.4429-0.2557 0.3616 ( 14984 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4963 -19.4963 -18.9026 -18.9026 -18.8928 -18.8928 -18.6055 -18.6055 -18.5784 -18.5784 -18.5729 -18.5729 -14.8819 -14.8819 -14.8708 -14.8708 -3.8113 -3.8113 -3.7131 -3.7131 -2.6998 -2.6998 -2.5918 -2.5918 -2.5104 -2.5104 -2.2591 -2.2591 -2.1372 -2.1372 -2.0624 -2.0624 -1.8584 -1.8584 -1.6680 -1.6680 -1.5259 -1.5259 -1.3702 -1.3702 -0.8362 -0.8362 -0.8346 -0.8346 -0.8099 -0.8099 0.1717 0.1717 0.2800 0.2800 0.3061 0.3061 0.3140 0.3140 0.6336 0.6336 0.6861 0.6861 0.9662 0.9662 1.0080 1.0080 1.0295 1.0295 5.4464 5.4464 5.5419 5.5419 5.5855 5.5855 8.3087 8.3087 8.9453 8.9453 9.9719 9.9719 10.0766 10.0766 10.3381 10.3381 k = 0.4571-0.2639 0.3733 ( 14972 PWs) bands (ev): -67.7838 -67.7838 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4959 -19.4959 -18.9027 -18.9027 -18.8928 -18.8928 -18.6056 -18.6056 -18.5785 -18.5785 -18.5729 -18.5729 -14.8819 -14.8819 -14.8713 -14.8713 -3.8054 -3.8054 -3.7134 -3.7134 -2.6815 -2.6815 -2.6007 -2.6007 -2.5097 -2.5097 -2.2182 -2.2182 -2.1371 -2.1371 -2.0643 -2.0643 -1.8995 -1.8995 -1.6725 -1.6725 -1.5276 -1.5276 -1.3689 -1.3689 -0.8424 -0.8424 -0.8383 -0.8383 -0.8150 -0.8150 0.1705 0.1705 0.2800 0.2800 0.3063 0.3063 0.3110 0.3110 0.6343 0.6343 0.6882 0.6882 0.9653 0.9653 1.0071 1.0071 1.0293 1.0293 5.4447 5.4447 5.5425 5.5425 5.5863 5.5863 8.3014 8.3014 8.9470 8.9470 9.9970 9.9970 10.0827 10.0827 10.3367 10.3367 k = 0.4714-0.2722 0.3849 ( 14972 PWs) bands (ev): -67.7838 -67.7838 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4956 -19.4956 -18.9028 -18.9028 -18.8928 -18.8928 -18.6057 -18.6057 -18.5786 -18.5786 -18.5730 -18.5730 -14.8819 -14.8819 -14.8717 -14.8717 -3.8011 -3.8011 -3.7137 -3.7137 -2.6647 -2.6647 -2.6108 -2.6108 -2.5097 -2.5097 -2.1790 -2.1790 -2.1368 -2.1368 -2.0661 -2.0661 -1.9383 -1.9383 -1.6760 -1.6760 -1.5284 -1.5284 -1.3678 -1.3678 -0.8481 -0.8481 -0.8398 -0.8398 -0.8188 -0.8188 0.1696 0.1696 0.2799 0.2799 0.3065 0.3065 0.3089 0.3089 0.6349 0.6349 0.6897 0.6897 0.9646 0.9646 1.0064 1.0064 1.0292 1.0292 5.4435 5.4435 5.5426 5.5426 5.5865 5.5865 8.2938 8.2938 8.9496 8.9496 10.0156 10.0156 10.0872 10.0872 10.3342 10.3342 k = 0.4857-0.2804 0.3966 ( 14956 PWs) bands (ev): -67.7834 -67.7834 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.4954 -19.4954 -18.9028 -18.9028 -18.8928 -18.8928 -18.6057 -18.6057 -18.5786 -18.5786 -18.5730 -18.5730 -14.8819 -14.8819 -14.8719 -14.8719 -3.7986 -3.7986 -3.7139 -3.7139 -2.6494 -2.6494 -2.6218 -2.6218 -2.5099 -2.5099 -2.1471 -2.1471 -2.1365 -2.1365 -2.0671 -2.0671 -1.9700 -1.9700 -1.6783 -1.6783 -1.5287 -1.5287 -1.3669 -1.3669 -0.8516 -0.8516 -0.8407 -0.8407 -0.8210 -0.8210 0.1691 0.1691 0.2799 0.2799 0.3066 0.3066 0.3077 0.3077 0.6352 0.6352 0.6907 0.6907 0.9642 0.9642 1.0060 1.0060 1.0292 1.0292 5.4438 5.4438 5.5437 5.5437 5.5877 5.5877 8.2902 8.2902 8.9512 8.9512 10.0271 10.0271 10.0899 10.0899 10.3330 10.3330 k = 0.5000-0.2887 0.4082 ( 14980 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9029 -18.9029 -18.8928 -18.8928 -18.6058 -18.6058 -18.5786 -18.5786 -18.5730 -18.5730 -14.8819 -14.8819 -14.8720 -14.8720 -3.7977 -3.7977 -3.7139 -3.7139 -2.6385 -2.6385 -2.6314 -2.6314 -2.5100 -2.5100 -2.1375 -2.1375 -2.1325 -2.1325 -2.0675 -2.0675 -1.9840 -1.9840 -1.6791 -1.6791 -1.5289 -1.5289 -1.3667 -1.3667 -0.8527 -0.8527 -0.8410 -0.8410 -0.8218 -0.8218 0.1689 0.1689 0.2799 0.2799 0.3067 0.3067 0.3072 0.3072 0.6353 0.6353 0.6910 0.6910 0.9640 0.9640 1.0059 1.0059 1.0291 1.0291 5.4411 5.4411 5.5429 5.5429 5.5868 5.5868 8.2884 8.2884 8.9492 8.9492 10.0309 10.0309 10.0908 10.0908 10.3322 10.3322 k = 0.5000-0.2887 0.4082 ( 14980 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9029 -18.9029 -18.8928 -18.8928 -18.6058 -18.6058 -18.5786 -18.5786 -18.5730 -18.5730 -14.8819 -14.8819 -14.8720 -14.8720 -3.7977 -3.7977 -3.7139 -3.7139 -2.6385 -2.6385 -2.6314 -2.6314 -2.5100 -2.5100 -2.1375 -2.1375 -2.1325 -2.1325 -2.0675 -2.0675 -1.9840 -1.9840 -1.6791 -1.6791 -1.5289 -1.5289 -1.3667 -1.3667 -0.8527 -0.8527 -0.8410 -0.8410 -0.8218 -0.8218 0.1689 0.1689 0.2799 0.2799 0.3067 0.3067 0.3072 0.3072 0.6353 0.6353 0.6910 0.6910 0.9640 0.9640 1.0059 1.0059 1.0291 1.0291 5.4411 5.4411 5.5429 5.5429 5.5868 5.5868 8.2884 8.2884 8.9492 8.9492 10.0309 10.0309 10.0908 10.0908 10.3322 10.3322 k = 0.5000-0.2726 0.4196 ( 14960 PWs) bands (ev): -67.7835 -67.7835 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.4954 -19.4954 -18.9028 -18.9028 -18.8928 -18.8928 -18.6058 -18.6058 -18.5786 -18.5786 -18.5730 -18.5730 -14.8819 -14.8819 -14.8720 -14.8720 -3.7976 -3.7976 -3.7139 -3.7139 -2.6400 -2.6400 -2.6295 -2.6295 -2.5100 -2.5100 -2.1394 -2.1394 -2.1313 -2.1313 -2.0673 -2.0673 -1.9829 -1.9829 -1.6789 -1.6789 -1.5293 -1.5293 -1.3674 -1.3674 -0.8526 -0.8526 -0.8409 -0.8409 -0.8217 -0.8217 0.1693 0.1693 0.2800 0.2800 0.3066 0.3066 0.3079 0.3079 0.6350 0.6350 0.6904 0.6904 0.9641 0.9641 1.0059 1.0059 1.0291 1.0291 5.4427 5.4427 5.5437 5.5437 5.5877 5.5877 8.2905 8.2905 8.9497 8.9497 10.0334 10.0334 10.0929 10.0929 10.3334 10.3334 k = 0.5000-0.2566 0.4309 ( 14976 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9028 -18.9028 -18.8928 -18.8928 -18.6057 -18.6057 -18.5786 -18.5786 -18.5730 -18.5730 -14.8818 -14.8818 -14.8720 -14.8720 -3.7972 -3.7972 -3.7141 -3.7141 -2.6429 -2.6429 -2.6260 -2.6260 -2.5102 -2.5102 -2.1434 -2.1434 -2.1294 -2.1294 -2.0671 -2.0671 -1.9804 -1.9804 -1.6787 -1.6787 -1.5308 -1.5308 -1.3700 -1.3700 -0.8522 -0.8522 -0.8404 -0.8404 -0.8215 -0.8215 0.1704 0.1704 0.2802 0.2802 0.3066 0.3066 0.3099 0.3099 0.6340 0.6340 0.6889 0.6889 0.9642 0.9642 1.0060 1.0060 1.0290 1.0290 5.4418 5.4418 5.5424 5.5424 5.5864 5.5864 8.2927 8.2927 8.9480 8.9480 10.0405 10.0405 10.0993 10.0993 10.3349 10.3349 k = 0.5000-0.2406 0.4423 ( 14970 PWs) bands (ev): -67.7838 -67.7838 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9027 -18.9027 -18.8929 -18.8929 -18.6057 -18.6057 -18.5786 -18.5786 -18.5731 -18.5731 -14.8817 -14.8817 -14.8721 -14.8721 -3.7967 -3.7967 -3.7142 -3.7142 -2.6460 -2.6460 -2.6219 -2.6219 -2.5105 -2.5105 -2.1485 -2.1485 -2.1276 -2.1276 -2.0669 -2.0669 -1.9759 -1.9759 -1.6782 -1.6782 -1.5333 -1.5333 -1.3740 -1.3740 -0.8514 -0.8514 -0.8397 -0.8397 -0.8212 -0.8212 0.1722 0.1722 0.2805 0.2805 0.3065 0.3065 0.3133 0.3133 0.6323 0.6323 0.6864 0.6864 0.9644 0.9644 1.0061 1.0061 1.0289 1.0289 5.4435 5.4435 5.5424 5.5424 5.5864 5.5864 8.2975 8.2975 8.9452 8.9452 10.0509 10.0509 10.1112 10.1112 10.3381 10.3381 k = 0.5000-0.2245 0.4536 ( 14982 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9027 -18.9027 -18.8930 -18.8930 -18.6057 -18.6057 -18.5786 -18.5786 -18.5731 -18.5731 -14.8816 -14.8816 -14.8723 -14.8723 -3.7959 -3.7959 -3.7145 -3.7145 -2.6489 -2.6489 -2.6177 -2.6177 -2.5109 -2.5109 -2.1543 -2.1543 -2.1260 -2.1260 -2.0668 -2.0668 -1.9699 -1.9699 -1.6777 -1.6777 -1.5368 -1.5368 -1.3794 -1.3794 -0.8505 -0.8505 -0.8387 -0.8387 -0.8207 -0.8207 0.1746 0.1746 0.2806 0.2806 0.3066 0.3066 0.3182 0.3182 0.6299 0.6299 0.6830 0.6830 0.9646 0.9646 1.0063 1.0063 1.0287 1.0287 5.4443 5.4443 5.5411 5.5411 5.5852 5.5852 8.3033 8.3033 8.9403 8.9403 10.0632 10.0632 10.1302 10.1302 10.3421 10.3421 k = 0.5000-0.2085 0.4649 ( 14990 PWs) bands (ev): -67.7843 -67.7843 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4954 -19.4954 -18.9025 -18.9025 -18.8931 -18.8931 -18.6056 -18.6056 -18.5785 -18.5785 -18.5732 -18.5732 -14.8814 -14.8814 -14.8724 -14.8724 -3.7950 -3.7950 -3.7148 -3.7148 -2.6515 -2.6515 -2.6132 -2.6132 -2.5115 -2.5115 -2.1606 -2.1606 -2.1245 -2.1245 -2.0669 -2.0669 -1.9624 -1.9624 -1.6773 -1.6773 -1.5412 -1.5412 -1.3858 -1.3858 -0.8493 -0.8493 -0.8375 -0.8375 -0.8202 -0.8202 0.1776 0.1776 0.2805 0.2805 0.3068 0.3068 0.3245 0.3245 0.6269 0.6269 0.6787 0.6787 0.9650 0.9650 1.0065 1.0065 1.0284 1.0284 5.4450 5.4450 5.5397 5.5397 5.5840 5.5840 8.3114 8.3114 8.9352 8.9352 10.0759 10.0759 10.1576 10.1576 10.3476 10.3476 k = 0.5000-0.1925 0.4763 ( 14980 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9024 -18.9024 -18.8933 -18.8933 -18.6056 -18.6056 -18.5785 -18.5785 -18.5733 -18.5733 -14.8812 -14.8812 -14.8726 -14.8726 -3.7938 -3.7938 -3.7152 -3.7152 -2.6539 -2.6539 -2.6087 -2.6087 -2.5120 -2.5120 -2.1671 -2.1671 -2.1228 -2.1228 -2.0671 -2.0671 -1.9536 -1.9536 -1.6770 -1.6770 -1.5465 -1.5465 -1.3930 -1.3930 -0.8480 -0.8480 -0.8361 -0.8361 -0.8197 -0.8197 0.1810 0.1810 0.2799 0.2799 0.3074 0.3074 0.3322 0.3322 0.6231 0.6231 0.6737 0.6737 0.9653 0.9653 1.0068 1.0068 1.0281 1.0281 5.4472 5.4472 5.5384 5.5384 5.5833 5.5833 8.3216 8.3216 8.9317 8.9317 10.0887 10.0887 10.1935 10.1935 10.3545 10.3545 k = 0.5000-0.1764 0.4876 ( 14992 PWs) bands (ev): -67.7844 -67.7844 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4954 -19.4954 -18.9022 -18.9022 -18.8934 -18.8934 -18.6055 -18.6055 -18.5784 -18.5784 -18.5734 -18.5734 -14.8810 -14.8810 -14.8729 -14.8729 -3.7926 -3.7926 -3.7156 -3.7156 -2.6561 -2.6561 -2.6043 -2.6043 -2.5127 -2.5127 -2.1737 -2.1737 -2.1212 -2.1212 -2.0676 -2.0676 -1.9437 -1.9437 -1.6771 -1.6771 -1.5527 -1.5527 -1.4006 -1.4006 -0.8466 -0.8466 -0.8345 -0.8345 -0.8193 -0.8193 0.1849 0.1849 0.2788 0.2788 0.3082 0.3082 0.3413 0.3413 0.6185 0.6185 0.6681 0.6681 0.9657 0.9657 1.0071 1.0071 1.0277 1.0277 5.4481 5.4481 5.5359 5.5359 5.5814 5.5814 8.3321 8.3321 8.9256 8.9256 10.1020 10.1020 10.2374 10.2374 10.3620 10.3620 k = 0.5000-0.1604 0.4990 ( 14988 PWs) bands (ev): -67.7843 -67.7843 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4954 -19.4954 -18.9021 -18.9021 -18.8936 -18.8936 -18.6055 -18.6055 -18.5784 -18.5784 -18.5735 -18.5735 -14.8807 -14.8807 -14.8731 -14.8731 -3.7912 -3.7912 -3.7161 -3.7161 -2.6581 -2.6581 -2.5998 -2.5998 -2.5135 -2.5135 -2.1804 -2.1804 -2.1197 -2.1197 -2.0682 -2.0682 -1.9326 -1.9326 -1.6779 -1.6779 -1.5595 -1.5595 -1.4084 -1.4084 -0.8450 -0.8450 -0.8327 -0.8327 -0.8188 -0.8188 0.1891 0.1891 0.2772 0.2772 0.3095 0.3095 0.3517 0.3517 0.6131 0.6131 0.6621 0.6621 0.9661 0.9661 1.0076 1.0076 1.0272 1.0272 5.4515 5.4515 5.5340 5.5340 5.5804 5.5804 8.3445 8.3445 8.9180 8.9180 10.1160 10.1160 10.2890 10.2890 10.3709 10.3709 k = 0.5000-0.1443 0.5103 ( 14968 PWs) bands (ev): -67.7838 -67.7838 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9019 -18.9019 -18.8938 -18.8938 -18.6054 -18.6054 -18.5783 -18.5783 -18.5736 -18.5736 -14.8804 -14.8804 -14.8734 -14.8734 -3.7898 -3.7898 -3.7166 -3.7166 -2.6597 -2.6597 -2.5955 -2.5955 -2.5142 -2.5142 -2.1867 -2.1867 -2.1181 -2.1181 -2.0690 -2.0690 -1.9205 -1.9205 -1.6796 -1.6796 -1.5666 -1.5666 -1.4159 -1.4159 -0.8434 -0.8434 -0.8310 -0.8310 -0.8185 -0.8185 0.1935 0.1935 0.2751 0.2751 0.3110 0.3110 0.3632 0.3632 0.6067 0.6067 0.6560 0.6560 0.9665 0.9665 1.0081 1.0081 1.0266 1.0266 5.4562 5.4562 5.5328 5.5328 5.5803 5.5803 8.3581 8.3581 8.9115 8.9115 10.1310 10.1310 10.3476 10.3476 10.3808 10.3808 k = 0.5000-0.1283 0.5217 ( 14976 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9017 -18.9017 -18.8940 -18.8940 -18.6054 -18.6054 -18.5782 -18.5782 -18.5737 -18.5737 -14.8801 -14.8801 -14.8737 -14.8737 -3.7884 -3.7884 -3.7171 -3.7171 -2.6612 -2.6612 -2.5915 -2.5915 -2.5150 -2.5150 -2.1928 -2.1928 -2.1168 -2.1168 -2.0701 -2.0701 -1.9075 -1.9075 -1.6829 -1.6829 -1.5738 -1.5738 -1.4230 -1.4230 -0.8418 -0.8418 -0.8292 -0.8292 -0.8183 -0.8183 0.1981 0.1981 0.2724 0.2724 0.3127 0.3127 0.3757 0.3757 0.5993 0.5993 0.6499 0.6499 0.9669 0.9669 1.0087 1.0087 1.0260 1.0260 5.4597 5.4597 5.5297 5.5297 5.5791 5.5791 8.3712 8.3712 8.9015 8.9015 10.1471 10.1471 10.3905 10.3905 10.4137 10.4137 k = 0.5000-0.1123 0.5330 ( 14988 PWs) bands (ev): -67.7843 -67.7843 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4954 -19.4954 -18.9015 -18.9015 -18.8943 -18.8943 -18.6053 -18.6053 -18.5782 -18.5782 -18.5739 -18.5739 -14.8798 -14.8798 -14.8741 -14.8741 -3.7870 -3.7870 -3.7176 -3.7176 -2.6625 -2.6625 -2.5877 -2.5877 -2.5158 -2.5158 -2.1984 -2.1984 -2.1156 -2.1156 -2.0712 -2.0712 -1.8939 -1.8939 -1.6881 -1.6881 -1.5804 -1.5804 -1.4296 -1.4296 -0.8402 -0.8402 -0.8275 -0.8275 -0.8182 -0.8182 0.2028 0.2028 0.2693 0.2693 0.3146 0.3146 0.3891 0.3891 0.5908 0.5908 0.6442 0.6442 0.9673 0.9673 1.0094 1.0094 1.0252 1.0252 5.4624 5.4624 5.5259 5.5259 5.5778 5.5778 8.3844 8.3844 8.8919 8.8919 10.1642 10.1642 10.4013 10.4013 10.4601 10.4601 k = 0.5000-0.0962 0.5443 ( 14970 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9013 -18.9013 -18.8945 -18.8945 -18.6053 -18.6053 -18.5781 -18.5781 -18.5740 -18.5740 -14.8794 -14.8794 -14.8745 -14.8745 -3.7856 -3.7856 -3.7181 -3.7181 -2.6635 -2.6635 -2.5841 -2.5841 -2.5165 -2.5165 -2.2034 -2.2034 -2.1143 -2.1143 -2.0721 -2.0721 -1.8793 -1.8793 -1.6953 -1.6953 -1.5860 -1.5860 -1.4353 -1.4353 -0.8386 -0.8386 -0.8258 -0.8258 -0.8183 -0.8183 0.2076 0.2076 0.2659 0.2659 0.3164 0.3164 0.4031 0.4031 0.5812 0.5812 0.6391 0.6391 0.9676 0.9676 1.0102 1.0102 1.0245 1.0245 5.4677 5.4677 5.5234 5.5234 5.5782 5.5782 8.3981 8.3981 8.8846 8.8846 10.1824 10.1824 10.4123 10.4123 10.4402 10.4402 k = 0.5000-0.0802 0.5557 ( 14986 PWs) bands (ev): -67.7843 -67.7843 -39.9787 -39.9787 -39.0186 -39.0186 -39.0182 -39.0182 -19.4954 -19.4954 -18.9011 -18.9011 -18.8947 -18.8947 -18.6052 -18.6052 -18.5780 -18.5780 -18.5741 -18.5741 -14.8790 -14.8790 -14.8748 -14.8748 -3.7844 -3.7844 -3.7186 -3.7186 -2.6644 -2.6644 -2.5811 -2.5811 -2.5172 -2.5172 -2.2078 -2.2078 -2.1132 -2.1132 -2.0732 -2.0732 -1.8643 -1.8643 -1.7049 -1.7049 -1.5904 -1.5904 -1.4403 -1.4403 -0.8371 -0.8371 -0.8244 -0.8244 -0.8185 -0.8185 0.2125 0.2125 0.2622 0.2622 0.3182 0.3182 0.4175 0.4175 0.5706 0.5706 0.6346 0.6346 0.9679 0.9679 1.0111 1.0111 1.0236 1.0236 5.4702 5.4702 5.5193 5.5193 5.5766 5.5766 8.4103 8.4103 8.8749 8.8749 10.2015 10.2015 10.4189 10.4189 10.4231 10.4231 k = 0.5000-0.0642 0.5670 ( 14992 PWs) bands (ev): -67.7844 -67.7844 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4954 -19.4954 -18.9009 -18.9009 -18.8949 -18.8949 -18.6052 -18.6052 -18.5780 -18.5780 -18.5742 -18.5742 -14.8786 -14.8786 -14.8752 -14.8752 -3.7833 -3.7833 -3.7191 -3.7191 -2.6651 -2.6651 -2.5784 -2.5784 -2.5178 -2.5178 -2.2115 -2.2115 -2.1124 -2.1124 -2.0740 -2.0740 -1.8487 -1.8487 -1.7166 -1.7166 -1.5936 -1.5936 -1.4445 -1.4445 -0.8357 -0.8357 -0.8231 -0.8231 -0.8187 -0.8187 0.2173 0.2173 0.2583 0.2583 0.3198 0.3198 0.4321 0.4321 0.5591 0.5591 0.6308 0.6308 0.9681 0.9681 1.0119 1.0119 1.0227 1.0227 5.4740 5.4740 5.5153 5.5153 5.5754 5.5754 8.4214 8.4214 8.8670 8.8670 10.2215 10.2215 10.3974 10.3974 10.4328 10.4328 k = 0.5000-0.0481 0.5784 ( 14988 PWs) bands (ev): -67.7843 -67.7843 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4954 -19.4954 -18.9007 -18.9007 -18.8950 -18.8950 -18.6051 -18.6051 -18.5779 -18.5779 -18.5743 -18.5743 -14.8782 -14.8782 -14.8757 -14.8757 -3.7824 -3.7824 -3.7194 -3.7194 -2.6656 -2.6656 -2.5763 -2.5763 -2.5183 -2.5183 -2.2144 -2.2144 -2.1117 -2.1117 -2.0747 -2.0747 -1.8329 -1.8329 -1.7298 -1.7298 -1.5958 -1.5958 -1.4476 -1.4476 -0.8345 -0.8345 -0.8221 -0.8221 -0.8191 -0.8191 0.2220 0.2220 0.2543 0.2543 0.3212 0.3212 0.4466 0.4466 0.5471 0.5471 0.6278 0.6278 0.9683 0.9683 1.0128 1.0128 1.0219 1.0219 5.4772 5.4772 5.5123 5.5123 5.5755 5.5755 8.4307 8.4307 8.8614 8.8614 10.2423 10.2423 10.3753 10.3753 10.4413 10.4413 k = 0.5000-0.0321 0.5897 ( 14996 PWs) bands (ev): -67.7845 -67.7845 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4954 -19.4954 -18.9006 -18.9006 -18.8952 -18.8952 -18.6051 -18.6051 -18.5779 -18.5779 -18.5743 -18.5743 -14.8778 -14.8778 -14.8761 -14.8761 -3.7818 -3.7818 -3.7197 -3.7197 -2.6660 -2.6660 -2.5747 -2.5747 -2.5188 -2.5188 -2.2165 -2.2165 -2.1112 -2.1112 -2.0752 -2.0752 -1.8173 -1.8173 -1.7439 -1.7439 -1.5971 -1.5971 -1.4500 -1.4500 -0.8336 -0.8336 -0.8213 -0.8213 -0.8194 -0.8194 0.2265 0.2265 0.2503 0.2503 0.3222 0.3222 0.4602 0.4602 0.5352 0.5352 0.6257 0.6257 0.9684 0.9684 1.0136 1.0136 1.0211 1.0211 5.4791 5.4791 5.5090 5.5090 5.5746 5.5746 8.4378 8.4378 8.8565 8.8565 10.2637 10.2637 10.3529 10.3529 10.4481 10.4481 k = 0.5000-0.0160 0.6010 ( 15002 PWs) bands (ev): -67.7847 -67.7847 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4954 -19.4954 -18.9005 -18.9005 -18.8952 -18.8952 -18.6051 -18.6051 -18.5779 -18.5779 -18.5744 -18.5744 -14.8774 -14.8774 -14.8765 -14.8765 -3.7814 -3.7814 -3.7199 -3.7199 -2.6662 -2.6662 -2.5738 -2.5738 -2.5190 -2.5190 -2.2178 -2.2178 -2.1108 -2.1108 -2.0756 -2.0756 -1.8030 -1.8030 -1.7575 -1.7575 -1.5978 -1.5978 -1.4514 -1.4514 -0.8330 -0.8330 -0.8209 -0.8209 -0.8196 -0.8196 0.2301 0.2301 0.2469 0.2469 0.3228 0.3228 0.4715 0.4715 0.5250 0.5250 0.6244 0.6244 0.9685 0.9685 1.0142 1.0142 1.0205 1.0205 5.4803 5.4803 5.5060 5.5060 5.5741 5.5741 8.4429 8.4429 8.8533 8.8533 10.2856 10.2856 10.3303 10.3303 10.4526 10.4526 k = 0.5000-0.0000 0.6124 ( 14964 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9005 -18.9005 -18.8953 -18.8953 -18.6051 -18.6051 -18.5778 -18.5778 -18.5744 -18.5744 -14.8770 -14.8770 -14.8769 -14.8769 -3.7812 -3.7812 -3.7199 -3.7199 -2.6662 -2.6662 -2.5734 -2.5734 -2.5190 -2.5190 -2.2181 -2.2181 -2.1104 -2.1104 -2.0755 -2.0755 -1.7952 -1.7952 -1.7647 -1.7647 -1.5980 -1.5980 -1.4517 -1.4517 -0.8327 -0.8327 -0.8207 -0.8207 -0.8197 -0.8197 0.2318 0.2318 0.2454 0.2454 0.3230 0.3230 0.4765 0.4765 0.5204 0.5204 0.6240 0.6240 0.9685 0.9685 1.0145 1.0145 1.0202 1.0202 5.4837 5.4837 5.5075 5.5075 5.5760 5.5760 8.4462 8.4462 8.8547 8.8547 10.3072 10.3072 10.3086 10.3086 10.4548 10.4548 k = 0.5000-0.0000 0.6124 ( 14964 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9005 -18.9005 -18.8953 -18.8953 -18.6051 -18.6051 -18.5778 -18.5778 -18.5744 -18.5744 -14.8770 -14.8770 -14.8769 -14.8769 -3.7812 -3.7812 -3.7199 -3.7199 -2.6662 -2.6662 -2.5734 -2.5734 -2.5190 -2.5190 -2.2181 -2.2181 -2.1104 -2.1104 -2.0755 -2.0755 -1.7952 -1.7952 -1.7647 -1.7647 -1.5980 -1.5980 -1.4517 -1.4517 -0.8327 -0.8327 -0.8207 -0.8207 -0.8197 -0.8197 0.2318 0.2318 0.2454 0.2454 0.3230 0.3230 0.4765 0.4765 0.5204 0.5204 0.6240 0.6240 0.9685 0.9685 1.0145 1.0145 1.0202 1.0202 5.4837 5.4837 5.5075 5.5075 5.5760 5.5760 8.4462 8.4462 8.8547 8.8547 10.3072 10.3072 10.3086 10.3086 10.4548 10.4548 k = 0.4904 0.0167 0.6124 ( 14996 PWs) bands (ev): -67.7845 -67.7845 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4954 -19.4954 -18.9005 -18.9005 -18.8953 -18.8953 -18.6051 -18.6051 -18.5779 -18.5779 -18.5743 -18.5743 -14.8772 -14.8772 -14.8767 -14.8767 -3.7814 -3.7814 -3.7200 -3.7200 -2.6669 -2.6669 -2.5736 -2.5736 -2.5186 -2.5186 -2.2184 -2.2184 -2.1108 -2.1108 -2.0759 -2.0759 -1.8015 -1.8015 -1.7580 -1.7580 -1.5981 -1.5981 -1.4512 -1.4512 -0.8342 -0.8342 -0.8226 -0.8226 -0.8162 -0.8162 0.2311 0.2311 0.2462 0.2462 0.3228 0.3228 0.4740 0.4740 0.5227 0.5227 0.6242 0.6242 0.9686 0.9686 1.0143 1.0143 1.0204 1.0204 5.4814 5.4814 5.5061 5.5061 5.5745 5.5745 8.4443 8.4443 8.8526 8.8526 10.2939 10.2939 10.3219 10.3219 10.4534 10.4534 k = 0.4808 0.0333 0.6124 ( 14979 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9005 -18.9005 -18.8952 -18.8952 -18.6051 -18.6051 -18.5779 -18.5779 -18.5743 -18.5743 -14.8775 -14.8775 -14.8764 -14.8764 -3.7817 -3.7817 -3.7202 -3.7202 -2.6687 -2.6687 -2.5741 -2.5741 -2.5171 -2.5171 -2.2190 -2.2190 -2.1112 -2.1112 -2.0762 -2.0762 -1.8127 -1.8127 -1.7449 -1.7449 -1.5983 -1.5983 -1.4494 -1.4494 -0.8378 -0.8378 -0.8228 -0.8228 -0.8118 -0.8118 0.2294 0.2294 0.2484 0.2484 0.3222 0.3222 0.4679 0.4679 0.5281 0.5281 0.6249 0.6249 0.9686 0.9686 1.0140 1.0140 1.0208 1.0208 5.4817 5.4817 5.5084 5.5084 5.5752 5.5752 8.4440 8.4440 8.8550 8.8550 10.2833 10.2833 10.3330 10.3330 10.4520 10.4520 k = 0.4712 0.0500 0.6124 ( 14989 PWs) bands (ev): -67.7844 -67.7844 -39.9788 -39.9788 -39.0186 -39.0186 -39.0182 -39.0182 -19.4955 -19.4955 -18.9006 -18.9006 -18.8952 -18.8952 -18.6051 -18.6051 -18.5780 -18.5780 -18.5741 -18.5741 -14.8777 -14.8777 -14.8761 -14.8761 -3.7822 -3.7822 -3.7206 -3.7206 -2.6714 -2.6714 -2.5750 -2.5750 -2.5147 -2.5147 -2.2198 -2.2198 -2.1122 -2.1122 -2.0768 -2.0768 -1.8243 -1.8243 -1.7312 -1.7312 -1.5987 -1.5987 -1.4465 -1.4465 -0.8421 -0.8421 -0.8221 -0.8221 -0.8073 -0.8073 0.2274 0.2274 0.2513 0.2513 0.3211 0.3211 0.4600 0.4600 0.5348 0.5348 0.6261 0.6261 0.9687 0.9687 1.0135 1.0135 1.0213 1.0213 5.4797 5.4797 5.5097 5.5097 5.5749 5.5749 8.4421 8.4421 8.8559 8.8559 10.2760 10.2760 10.3404 10.3404 10.4502 10.4502 k = 0.4615 0.0666 0.6124 ( 14988 PWs) bands (ev): -67.7843 -67.7843 -39.9788 -39.9788 -39.0186 -39.0186 -39.0182 -39.0182 -19.4955 -19.4955 -18.9006 -18.9006 -18.8951 -18.8951 -18.6051 -18.6051 -18.5781 -18.5781 -18.5740 -18.5740 -14.8778 -14.8778 -14.8759 -14.8759 -3.7828 -3.7828 -3.7212 -3.7212 -2.6747 -2.6747 -2.5762 -2.5762 -2.5117 -2.5117 -2.2208 -2.2208 -2.1134 -2.1134 -2.0771 -2.0771 -1.8351 -1.8351 -1.7182 -1.7182 -1.5992 -1.5992 -1.4426 -1.4426 -0.8464 -0.8464 -0.8210 -0.8210 -0.8031 -0.8031 0.2254 0.2254 0.2546 0.2546 0.3197 0.3197 0.4515 0.4515 0.5414 0.5414 0.6279 0.6279 0.9688 0.9688 1.0128 1.0128 1.0220 1.0220 5.4779 5.4779 5.5122 5.5122 5.5750 5.5750 8.4403 8.4403 8.8583 8.8583 10.2721 10.2721 10.3440 10.3440 10.4497 10.4497 k = 0.4519 0.0833 0.6124 ( 14985 PWs) bands (ev): -67.7843 -67.7843 -39.9787 -39.9787 -39.0186 -39.0186 -39.0182 -39.0182 -19.4956 -19.4956 -18.9006 -18.9006 -18.8951 -18.8951 -18.6052 -18.6052 -18.5782 -18.5782 -18.5738 -18.5738 -14.8780 -14.8780 -14.8756 -14.8756 -3.7835 -3.7835 -3.7218 -3.7218 -2.6783 -2.6783 -2.5774 -2.5774 -2.5083 -2.5083 -2.2218 -2.2218 -2.1149 -2.1149 -2.0774 -2.0774 -1.8445 -1.8445 -1.7064 -1.7064 -1.5998 -1.5998 -1.4379 -1.4379 -0.8504 -0.8504 -0.8198 -0.8198 -0.7991 -0.7991 0.2235 0.2235 0.2581 0.2581 0.3180 0.3180 0.4429 0.4429 0.5475 0.5475 0.6302 0.6302 0.9690 0.9690 1.0122 1.0122 1.0228 1.0228 5.4764 5.4764 5.5145 5.5145 5.5751 5.5751 8.4384 8.4384 8.8612 8.8612 10.2718 10.2718 10.3442 10.3442 10.4506 10.4506 k = 0.4423 0.0999 0.6124 ( 14993 PWs) bands (ev): -67.7845 -67.7845 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4957 -19.4957 -18.9007 -18.9007 -18.8950 -18.8950 -18.6052 -18.6052 -18.5783 -18.5783 -18.5736 -18.5736 -14.8781 -14.8781 -14.8754 -14.8754 -3.7841 -3.7841 -3.7225 -3.7225 -2.6820 -2.6820 -2.5787 -2.5787 -2.5048 -2.5048 -2.2228 -2.2228 -2.1166 -2.1166 -2.0777 -2.0777 -1.8526 -1.8526 -1.6963 -1.6963 -1.6006 -1.6006 -1.4327 -1.4327 -0.8541 -0.8541 -0.8186 -0.8186 -0.7954 -0.7954 0.2220 0.2220 0.2618 0.2618 0.3159 0.3159 0.4347 0.4347 0.5527 0.5527 0.6329 0.6329 0.9691 0.9691 1.0115 1.0115 1.0235 1.0235 5.4742 5.4742 5.5164 5.5164 5.5749 5.5749 8.4358 8.4358 8.8633 8.8633 10.2751 10.2751 10.3414 10.3414 10.4528 10.4528 k = 0.4327 0.1166 0.6124 ( 14990 PWs) bands (ev): -67.7844 -67.7844 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4957 -19.4957 -18.9007 -18.9007 -18.8949 -18.8949 -18.6052 -18.6052 -18.5784 -18.5784 -18.5734 -18.5734 -14.8782 -14.8782 -14.8752 -14.8752 -3.7847 -3.7847 -3.7232 -3.7232 -2.6857 -2.6857 -2.5798 -2.5798 -2.5015 -2.5015 -2.2238 -2.2238 -2.1181 -2.1181 -2.0781 -2.0781 -1.8593 -1.8593 -1.6876 -1.6876 -1.6015 -1.6015 -1.4272 -1.4272 -0.8574 -0.8574 -0.8174 -0.8174 -0.7922 -0.7922 0.2207 0.2207 0.2655 0.2655 0.3136 0.3136 0.4271 0.4271 0.5569 0.5569 0.6358 0.6358 0.9693 0.9693 1.0108 1.0108 1.0242 1.0242 5.4726 5.4726 5.5190 5.5190 5.5745 5.5745 8.4337 8.4337 8.8669 8.8669 10.2821 10.2821 10.3369 10.3369 10.4561 10.4561 k = 0.4231 0.1332 0.6124 ( 14990 PWs) bands (ev): -67.7844 -67.7844 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4958 -19.4958 -18.9008 -18.9008 -18.8949 -18.8949 -18.6052 -18.6052 -18.5785 -18.5785 -18.5733 -18.5733 -14.8783 -14.8783 -14.8751 -14.8751 -3.7852 -3.7852 -3.7239 -3.7239 -2.6891 -2.6891 -2.5809 -2.5809 -2.4983 -2.4983 -2.2246 -2.2246 -2.1197 -2.1197 -2.0785 -2.0785 -1.8648 -1.8648 -1.6803 -1.6803 -1.6024 -1.6024 -1.4219 -1.4219 -0.8602 -0.8602 -0.8163 -0.8163 -0.7894 -0.7894 0.2197 0.2197 0.2692 0.2692 0.3111 0.3111 0.4202 0.4202 0.5603 0.5603 0.6389 0.6389 0.9694 0.9694 1.0102 1.0102 1.0248 1.0248 5.4704 5.4704 5.5216 5.5216 5.5746 5.5746 8.4312 8.4312 8.8701 8.8701 10.2929 10.2929 10.3316 10.3316 10.4595 10.4595 k = 0.4135 0.1499 0.6124 ( 14992 PWs) bands (ev): -67.7845 -67.7845 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4959 -19.4959 -18.9008 -18.9008 -18.8948 -18.8948 -18.6053 -18.6053 -18.5786 -18.5786 -18.5731 -18.5731 -14.8783 -14.8783 -14.8749 -14.8749 -3.7856 -3.7856 -3.7246 -3.7246 -2.6920 -2.6920 -2.5817 -2.5817 -2.4956 -2.4956 -2.2254 -2.2254 -2.1211 -2.1211 -2.0790 -2.0790 -1.8690 -1.8690 -1.6746 -1.6746 -1.6032 -1.6032 -1.4171 -1.4171 -0.8625 -0.8625 -0.8154 -0.8154 -0.7871 -0.7871 0.2189 0.2189 0.2728 0.2728 0.3084 0.3084 0.4144 0.4144 0.5628 0.5628 0.6417 0.6417 0.9696 0.9696 1.0097 1.0097 1.0254 1.0254 5.4689 5.4689 5.5234 5.5234 5.5747 5.5747 8.4292 8.4292 8.8722 8.8722 10.3075 10.3075 10.3264 10.3264 10.4627 10.4627 k = 0.4038 0.1665 0.6124 ( 14983 PWs) bands (ev): -67.7842 -67.7842 -39.9787 -39.9787 -39.0186 -39.0186 -39.0182 -39.0182 -19.4959 -19.4959 -18.9008 -18.9008 -18.8948 -18.8948 -18.6053 -18.6053 -18.5787 -18.5787 -18.5730 -18.5730 -14.8784 -14.8784 -14.8748 -14.8748 -3.7860 -3.7860 -3.7251 -3.7251 -2.6945 -2.6945 -2.5823 -2.5823 -2.4934 -2.4934 -2.2259 -2.2259 -2.1221 -2.1221 -2.0794 -2.0794 -1.8721 -1.8721 -1.6702 -1.6702 -1.6040 -1.6040 -1.4130 -1.4130 -0.8643 -0.8643 -0.8147 -0.8147 -0.7853 -0.7853 0.2184 0.2184 0.2762 0.2762 0.3057 0.3057 0.4097 0.4097 0.5646 0.5646 0.6442 0.6442 0.9697 0.9697 1.0092 1.0092 1.0258 1.0258 5.4686 5.4686 5.5250 5.5250 5.5746 5.5746 8.4278 8.4278 8.8759 8.8759 10.3214 10.3214 10.3266 10.3266 10.4654 10.4654 k = 0.3942 0.1832 0.6124 ( 14990 PWs) bands (ev): -67.7844 -67.7844 -39.9788 -39.9788 -39.0186 -39.0186 -39.0182 -39.0182 -19.4960 -19.4960 -18.9009 -18.9009 -18.8947 -18.8947 -18.6053 -18.6053 -18.5788 -18.5788 -18.5729 -18.5729 -14.8784 -14.8784 -14.8748 -14.8748 -3.7862 -3.7862 -3.7256 -3.7256 -2.6963 -2.6963 -2.5828 -2.5828 -2.4918 -2.4918 -2.2264 -2.2264 -2.1231 -2.1231 -2.0798 -2.0798 -1.8742 -1.8742 -1.6672 -1.6672 -1.6046 -1.6046 -1.4099 -1.4099 -0.8657 -0.8657 -0.8141 -0.8141 -0.7839 -0.7839 0.2180 0.2180 0.2793 0.2793 0.3032 0.3032 0.4062 0.4062 0.5658 0.5658 0.6461 0.6461 0.9698 0.9698 1.0089 1.0089 1.0262 1.0262 5.4677 5.4677 5.5259 5.5259 5.5744 5.5744 8.4263 8.4263 8.8764 8.8764 10.3182 10.3182 10.3488 10.3488 10.4669 10.4669 k = 0.3846 0.1999 0.6124 ( 14980 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0186 -39.0186 -39.0182 -39.0182 -19.4960 -19.4960 -18.9009 -18.9009 -18.8947 -18.8947 -18.6053 -18.6053 -18.5788 -18.5788 -18.5728 -18.5728 -14.8784 -14.8784 -14.8747 -14.8747 -3.7864 -3.7864 -3.7258 -3.7258 -2.6974 -2.6974 -2.5831 -2.5831 -2.4908 -2.4908 -2.2266 -2.2266 -2.1234 -2.1234 -2.0801 -2.0801 -1.8754 -1.8754 -1.6653 -1.6653 -1.6050 -1.6050 -1.4079 -1.4079 -0.8664 -0.8664 -0.8138 -0.8138 -0.7831 -0.7831 0.2178 0.2178 0.2815 0.2815 0.3013 0.3013 0.4041 0.4041 0.5665 0.5665 0.6473 0.6473 0.9698 0.9698 1.0087 1.0087 1.0264 1.0264 5.4679 5.4679 5.5272 5.5272 5.5751 5.5751 8.4255 8.4255 8.8783 8.8783 10.3160 10.3160 10.3753 10.3753 10.4408 10.4408 k = 0.3750 0.2165 0.6124 ( 14957 PWs) bands (ev): -67.7835 -67.7835 -39.9786 -39.9786 -39.0185 -39.0185 -39.0181 -39.0181 -19.4960 -19.4960 -18.9009 -18.9009 -18.8947 -18.8947 -18.6053 -18.6053 -18.5788 -18.5788 -18.5728 -18.5728 -14.8784 -14.8784 -14.8747 -14.8747 -3.7864 -3.7864 -3.7259 -3.7259 -2.6977 -2.6977 -2.5831 -2.5831 -2.4904 -2.4904 -2.2267 -2.2267 -2.1233 -2.1233 -2.0801 -2.0801 -1.8757 -1.8757 -1.6646 -1.6646 -1.6051 -1.6051 -1.4071 -1.4071 -0.8667 -0.8667 -0.8137 -0.8137 -0.7829 -0.7829 0.2177 0.2177 0.2824 0.2824 0.3006 0.3006 0.4033 0.4033 0.5668 0.5668 0.6477 0.6477 0.9699 0.9699 1.0086 1.0086 1.0265 1.0265 5.4684 5.4684 5.5288 5.5288 5.5767 5.5767 8.4261 8.4261 8.8810 8.8810 10.3154 10.3154 10.4025 10.4025 10.4097 10.4097 k = 0.3750 0.2165 0.6124 ( 14957 PWs) bands (ev): -67.7835 -67.7835 -39.9786 -39.9786 -39.0185 -39.0185 -39.0181 -39.0181 -19.4960 -19.4960 -18.9009 -18.9009 -18.8947 -18.8947 -18.6053 -18.6053 -18.5788 -18.5788 -18.5728 -18.5728 -14.8784 -14.8784 -14.8747 -14.8747 -3.7864 -3.7864 -3.7259 -3.7259 -2.6977 -2.6977 -2.5831 -2.5831 -2.4904 -2.4904 -2.2267 -2.2267 -2.1233 -2.1233 -2.0801 -2.0801 -1.8757 -1.8757 -1.6646 -1.6646 -1.6051 -1.6051 -1.4071 -1.4071 -0.8667 -0.8667 -0.8137 -0.8137 -0.7829 -0.7829 0.2177 0.2177 0.2824 0.2824 0.3006 0.3006 0.4033 0.4033 0.5668 0.5668 0.6477 0.6477 0.9699 0.9699 1.0086 1.0086 1.0265 1.0265 5.4684 5.4684 5.5288 5.5288 5.5767 5.5767 8.4261 8.4261 8.8810 8.8810 10.3154 10.3154 10.4025 10.4025 10.4097 10.4097 k = 0.3649 0.2107 0.5958 ( 14981 PWs) bands (ev): -67.7842 -67.7842 -39.9787 -39.9787 -39.0186 -39.0186 -39.0182 -39.0182 -19.4962 -19.4962 -18.9006 -18.9006 -18.8949 -18.8949 -18.6053 -18.6053 -18.5789 -18.5789 -18.5726 -18.5726 -14.8778 -14.8778 -14.8751 -14.8751 -3.7867 -3.7867 -3.7280 -3.7280 -2.7081 -2.7081 -2.5801 -2.5801 -2.4853 -2.4853 -2.2373 -2.2373 -2.1234 -2.1234 -2.0887 -2.0887 -1.8601 -1.8601 -1.6647 -1.6647 -1.6085 -1.6085 -1.4046 -1.4046 -0.8697 -0.8697 -0.8107 -0.8107 -0.7745 -0.7745 0.2240 0.2240 0.2821 0.2821 0.2991 0.2991 0.4162 0.4162 0.5562 0.5562 0.6442 0.6442 0.9707 0.9707 1.0090 1.0090 1.0263 1.0263 5.4718 5.4718 5.5254 5.5254 5.5734 5.5734 8.4446 8.4446 8.8698 8.8698 10.2878 10.2878 10.4555 10.4555 10.4609 10.4609 k = 0.3547 0.2048 0.5793 ( 14981 PWs) bands (ev): -67.7842 -67.7842 -39.9787 -39.9787 -39.0186 -39.0186 -39.0182 -39.0182 -19.4964 -19.4964 -18.9003 -18.9003 -18.8952 -18.8952 -18.6052 -18.6052 -18.5789 -18.5789 -18.5724 -18.5724 -14.8771 -14.8771 -14.8755 -14.8755 -3.7879 -3.7879 -3.7299 -3.7299 -2.7196 -2.7196 -2.5772 -2.5772 -2.4801 -2.4801 -2.2490 -2.2490 -2.1233 -2.1233 -2.0984 -2.0984 -1.8434 -1.8434 -1.6657 -1.6657 -1.6084 -1.6084 -1.4005 -1.4005 -0.8726 -0.8726 -0.8074 -0.8074 -0.7656 -0.7656 0.2302 0.2302 0.2817 0.2817 0.2973 0.2973 0.4290 0.4290 0.5457 0.5457 0.6410 0.6410 0.9717 0.9717 1.0094 1.0094 1.0262 1.0262 5.4756 5.4756 5.5235 5.5235 5.5719 5.5719 8.4650 8.4650 8.8609 8.8609 10.2554 10.2554 10.4588 10.4588 10.5118 10.5118 k = 0.3446 0.1990 0.5627 ( 14985 PWs) bands (ev): -67.7843 -67.7843 -39.9787 -39.9787 -39.0186 -39.0186 -39.0182 -39.0182 -19.4967 -19.4967 -18.9000 -18.9000 -18.8954 -18.8954 -18.6052 -18.6052 -18.5790 -18.5790 -18.5722 -18.5722 -14.8763 -14.8763 -14.8759 -14.8759 -3.7904 -3.7904 -3.7312 -3.7312 -2.7323 -2.7323 -2.5744 -2.5744 -2.4751 -2.4751 -2.2624 -2.2624 -2.1245 -2.1245 -2.1078 -2.1078 -1.8254 -1.8254 -1.6675 -1.6675 -1.6051 -1.6051 -1.3949 -1.3949 -0.8752 -0.8752 -0.8039 -0.8039 -0.7564 -0.7564 0.2363 0.2363 0.2811 0.2811 0.2953 0.2953 0.4418 0.4418 0.5356 0.5356 0.6378 0.6378 0.9726 0.9726 1.0098 1.0098 1.0262 1.0262 5.4802 5.4802 5.5215 5.5215 5.5707 5.5707 8.4857 8.4857 8.8504 8.8504 10.2189 10.2189 10.4521 10.4521 10.5711 10.5711 k = 0.3345 0.1931 0.5462 ( 15015 PWs) bands (ev): -67.7850 -67.7850 -39.9789 -39.9789 -39.0187 -39.0187 -39.0184 -39.0184 -19.4971 -19.4971 -18.8996 -18.8996 -18.8957 -18.8957 -18.6052 -18.6052 -18.5790 -18.5790 -18.5720 -18.5720 -14.8763 -14.8763 -14.8754 -14.8754 -3.7944 -3.7944 -3.7319 -3.7319 -2.7463 -2.7463 -2.5719 -2.5719 -2.4704 -2.4704 -2.2783 -2.2783 -2.1293 -2.1293 -2.1134 -2.1134 -1.8066 -1.8066 -1.6694 -1.6694 -1.5995 -1.5995 -1.3879 -1.3879 -0.8775 -0.8775 -0.8000 -0.8000 -0.7469 -0.7469 0.2422 0.2422 0.2803 0.2803 0.2930 0.2930 0.4542 0.4542 0.5262 0.5262 0.6349 0.6349 0.9737 0.9737 1.0103 1.0103 1.0263 1.0263 5.4828 5.4828 5.5181 5.5181 5.5683 5.5683 8.5054 8.5054 8.8384 8.8384 10.1789 10.1789 10.4427 10.4427 10.6337 10.6337 k = 0.3243 0.1872 0.5296 ( 14997 PWs) bands (ev): -67.7846 -67.7846 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4975 -19.4975 -18.8993 -18.8993 -18.8959 -18.8959 -18.6051 -18.6051 -18.5790 -18.5790 -18.5717 -18.5717 -14.8768 -14.8768 -14.8745 -14.8745 -3.8000 -3.8000 -3.7319 -3.7319 -2.7613 -2.7613 -2.5697 -2.5697 -2.4661 -2.4661 -2.2971 -2.2971 -2.1369 -2.1369 -2.1140 -2.1140 -1.7864 -1.7864 -1.6709 -1.6709 -1.5919 -1.5919 -1.3792 -1.3792 -0.8793 -0.8793 -0.7958 -0.7958 -0.7371 -0.7371 0.2477 0.2477 0.2792 0.2792 0.2905 0.2905 0.4663 0.4663 0.5176 0.5176 0.6322 0.6322 0.9748 0.9748 1.0108 1.0108 1.0265 1.0265 5.4875 5.4875 5.5180 5.5180 5.5682 5.5682 8.5280 8.5280 8.8304 8.8304 10.1363 10.1363 10.4315 10.4315 10.6990 10.6990 k = 0.3142 0.1814 0.5131 ( 14983 PWs) bands (ev): -67.7842 -67.7842 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4980 -19.4980 -18.8990 -18.8990 -18.8961 -18.8961 -18.6051 -18.6051 -18.5790 -18.5790 -18.5715 -18.5715 -14.8772 -14.8772 -14.8735 -14.8735 -3.8071 -3.8071 -3.7312 -3.7312 -2.7774 -2.7774 -2.5681 -2.5681 -2.4622 -2.4622 -2.3190 -2.3190 -2.1443 -2.1443 -2.1127 -2.1127 -1.7652 -1.7652 -1.6720 -1.6720 -1.5831 -1.5831 -1.3690 -1.3690 -0.8803 -0.8803 -0.7911 -0.7911 -0.7271 -0.7271 0.2528 0.2528 0.2776 0.2776 0.2882 0.2882 0.4778 0.4778 0.5099 0.5099 0.6297 0.6297 0.9759 0.9759 1.0114 1.0114 1.0267 1.0267 5.4922 5.4922 5.5183 5.5183 5.5684 5.5684 8.5495 8.5495 8.8225 8.8225 10.0909 10.0909 10.4176 10.4176 10.7642 10.7642 k = 0.3041 0.1755 0.4965 ( 14979 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4985 -19.4985 -18.8986 -18.8986 -18.8963 -18.8963 -18.6051 -18.6051 -18.5790 -18.5790 -18.5712 -18.5712 -14.8776 -14.8776 -14.8724 -14.8724 -3.8158 -3.8158 -3.7300 -3.7300 -2.7944 -2.7944 -2.5676 -2.5676 -2.4589 -2.4589 -2.3434 -2.3434 -2.1501 -2.1501 -2.1109 -2.1109 -1.7433 -1.7433 -1.6724 -1.6724 -1.5734 -1.5734 -1.3573 -1.3573 -0.8806 -0.8806 -0.7860 -0.7860 -0.7171 -0.7171 0.2573 0.2573 0.2752 0.2752 0.2864 0.2864 0.4886 0.4886 0.5034 0.5034 0.6274 0.6274 0.9771 0.9771 1.0120 1.0120 1.0271 1.0271 5.4958 5.4958 5.5181 5.5181 5.5685 5.5685 8.5707 8.5707 8.8143 8.8143 10.0433 10.0433 10.4015 10.4015 10.8237 10.8237 k = 0.2939 0.1697 0.4800 ( 14991 PWs) bands (ev): -67.7844 -67.7844 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4991 -19.4991 -18.8983 -18.8983 -18.8965 -18.8965 -18.6050 -18.6050 -18.5789 -18.5789 -18.5710 -18.5710 -14.8780 -14.8780 -14.8712 -14.8712 -3.8258 -3.8258 -3.7283 -3.7283 -2.8122 -2.8122 -2.5687 -2.5687 -2.4566 -2.4566 -2.3691 -2.3691 -2.1541 -2.1541 -2.1088 -2.1088 -1.7216 -1.7216 -1.6716 -1.6716 -1.5632 -1.5632 -1.3441 -1.3441 -0.8799 -0.8799 -0.7804 -0.7804 -0.7069 -0.7069 0.2612 0.2612 0.2720 0.2720 0.2853 0.2853 0.4965 0.4965 0.5000 0.5000 0.6254 0.6254 0.9783 0.9783 1.0127 1.0127 1.0276 1.0276 5.4980 5.4980 5.5176 5.5176 5.5680 5.5680 8.5907 8.5907 8.8057 8.8057 9.9936 9.9936 10.3833 10.3833 10.8779 10.8779 k = 0.2838 0.1638 0.4634 ( 14995 PWs) bands (ev): -67.7845 -67.7845 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4997 -19.4997 -18.8980 -18.8980 -18.8966 -18.8966 -18.6049 -18.6049 -18.5787 -18.5787 -18.5707 -18.5707 -14.8784 -14.8784 -14.8700 -14.8700 -3.8369 -3.8369 -3.7263 -3.7263 -2.8308 -2.8308 -2.5724 -2.5724 -2.4559 -2.4559 -2.3936 -2.3936 -2.1565 -2.1565 -2.1066 -2.1066 -1.7026 -1.7026 -1.6670 -1.6670 -1.5524 -1.5524 -1.3294 -1.3294 -0.8780 -0.8780 -0.7743 -0.7743 -0.6968 -0.6968 0.2640 0.2640 0.2684 0.2684 0.2851 0.2851 0.4929 0.4929 0.5083 0.5083 0.6238 0.6238 0.9796 0.9796 1.0135 1.0135 1.0282 1.0282 5.5009 5.5009 5.5181 5.5181 5.5682 5.5682 8.6101 8.6101 8.7980 8.7980 9.9421 9.9421 10.3635 10.3635 10.9259 10.9259 k = 0.2736 0.1580 0.4469 ( 14981 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5005 -19.5005 -18.8977 -18.8977 -18.8967 -18.8967 -18.6048 -18.6048 -18.5786 -18.5786 -18.5705 -18.5705 -14.8788 -14.8788 -14.8687 -14.8687 -3.8491 -3.8491 -3.7241 -3.7241 -2.8499 -2.8499 -2.5801 -2.5801 -2.4586 -2.4586 -2.4131 -2.4131 -2.1574 -2.1574 -2.1040 -2.1040 -1.6917 -1.6917 -1.6537 -1.6537 -1.5410 -1.5410 -1.3134 -1.3134 -0.8750 -0.8750 -0.7677 -0.7677 -0.6866 -0.6866 0.2634 0.2634 0.2668 0.2668 0.2857 0.2857 0.4895 0.4895 0.5166 0.5166 0.6225 0.6225 0.9809 0.9809 1.0144 1.0144 1.0289 1.0289 5.5040 5.5040 5.5204 5.5204 5.5696 5.5696 8.6294 8.6294 8.7930 8.7930 9.8889 9.8889 10.3423 10.3423 10.9662 10.9662 k = 0.2635 0.1521 0.4303 ( 14985 PWs) bands (ev): -67.7842 -67.7842 -39.9787 -39.9787 -39.0186 -39.0186 -39.0182 -39.0182 -19.5013 -19.5013 -18.8974 -18.8974 -18.8968 -18.8968 -18.6047 -18.6047 -18.5784 -18.5784 -18.5703 -18.5703 -14.8792 -14.8792 -14.8673 -14.8673 -3.8622 -3.8622 -3.7218 -3.7218 -2.8695 -2.8695 -2.5937 -2.5937 -2.4664 -2.4664 -2.4235 -2.4235 -2.1573 -2.1573 -2.1016 -2.1016 -1.6887 -1.6887 -1.6330 -1.6330 -1.5287 -1.5287 -1.2963 -1.2963 -0.8707 -0.8707 -0.7604 -0.7604 -0.6765 -0.6765 0.2594 0.2594 0.2677 0.2677 0.2868 0.2868 0.4869 0.4869 0.5239 0.5239 0.6217 0.6217 0.9823 0.9823 1.0154 1.0154 1.0296 1.0296 5.5055 5.5055 5.5216 5.5216 5.5697 5.5697 8.6480 8.6480 8.7879 8.7879 9.8341 9.8341 10.3198 10.3198 10.9946 10.9946 k = 0.2534 0.1463 0.4138 ( 14979 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5021 -19.5021 -18.8971 -18.8971 -18.8968 -18.8968 -18.6045 -18.6045 -18.5781 -18.5781 -18.5702 -18.5702 -14.8795 -14.8795 -14.8659 -14.8659 -3.8760 -3.8760 -3.7194 -3.7194 -2.8895 -2.8895 -2.6142 -2.6142 -2.4760 -2.4760 -2.4264 -2.4264 -2.1562 -2.1562 -2.0992 -2.0992 -1.6887 -1.6887 -1.6105 -1.6105 -1.5148 -1.5148 -1.2783 -1.2783 -0.8651 -0.8651 -0.7526 -0.7526 -0.6665 -0.6665 0.2553 0.2553 0.2681 0.2681 0.2883 0.2883 0.4850 0.4850 0.5303 0.5303 0.6212 0.6212 0.9838 0.9838 1.0164 1.0164 1.0305 1.0305 5.5077 5.5077 5.5236 5.5236 5.5706 5.5706 8.6661 8.6661 8.7842 8.7842 9.7779 9.7779 10.2959 10.2959 10.9324 10.9324 k = 0.2432 0.1404 0.3972 ( 14971 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5030 -19.5030 -18.8969 -18.8969 -18.8968 -18.8968 -18.6043 -18.6043 -18.5779 -18.5779 -18.5700 -18.5700 -14.8799 -14.8799 -14.8644 -14.8644 -3.8905 -3.8905 -3.7171 -3.7171 -2.9097 -2.9097 -2.6413 -2.6413 -2.4832 -2.4832 -2.4261 -2.4261 -2.1545 -2.1545 -2.0973 -2.0973 -1.6900 -1.6900 -1.5891 -1.5891 -1.4978 -1.4978 -1.2595 -1.2595 -0.8582 -0.8582 -0.7441 -0.7441 -0.6566 -0.6566 0.2516 0.2516 0.2680 0.2680 0.2899 0.2899 0.4838 0.4838 0.5358 0.5358 0.6211 0.6211 0.9853 0.9853 1.0176 1.0176 1.0315 1.0315 5.5104 5.5104 5.5261 5.5261 5.5718 5.5718 8.6838 8.6838 8.7806 8.7806 9.7204 9.7204 10.2709 10.2709 10.8510 10.8510 k = 0.2331 0.1346 0.3807 ( 14953 PWs) bands (ev): -67.7834 -67.7834 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5039 -19.5039 -18.8969 -18.8969 -18.8965 -18.8965 -18.6041 -18.6041 -18.5776 -18.5776 -18.5699 -18.5699 -14.8802 -14.8802 -14.8629 -14.8629 -3.9055 -3.9055 -3.7147 -3.7147 -2.9300 -2.9300 -2.6730 -2.6730 -2.4872 -2.4872 -2.4247 -2.4247 -2.1523 -2.1523 -2.0954 -2.0954 -1.6921 -1.6921 -1.5707 -1.5707 -1.4769 -1.4769 -1.2401 -1.2401 -0.8503 -0.8503 -0.7350 -0.7350 -0.6468 -0.6468 0.2483 0.2483 0.2676 0.2676 0.2914 0.2914 0.4833 0.4833 0.5404 0.5404 0.6213 0.6213 0.9868 0.9868 1.0188 1.0188 1.0325 1.0325 5.5127 5.5127 5.5291 5.5291 5.5735 5.5735 8.7012 8.7012 8.7795 8.7795 9.6616 9.6616 10.2443 10.2443 10.7676 10.7676 k = 0.2230 0.1287 0.3641 ( 14953 PWs) bands (ev): -67.7834 -67.7834 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5049 -19.5049 -18.8969 -18.8969 -18.8962 -18.8962 -18.6038 -18.6038 -18.5773 -18.5773 -18.5697 -18.5697 -14.8805 -14.8805 -14.8613 -14.8613 -3.9210 -3.9210 -3.7124 -3.7124 -2.9504 -2.9504 -2.7076 -2.7076 -2.4889 -2.4889 -2.4228 -2.4228 -2.1500 -2.1500 -2.0941 -2.0941 -1.6949 -1.6949 -1.5559 -1.5559 -1.4519 -1.4519 -1.2205 -1.2205 -0.8414 -0.8414 -0.7252 -0.7252 -0.6372 -0.6372 0.2456 0.2456 0.2671 0.2671 0.2926 0.2926 0.4832 0.4832 0.5442 0.5442 0.6218 0.6218 0.9884 0.9884 1.0201 1.0201 1.0336 1.0336 5.5140 5.5140 5.5312 5.5312 5.5743 5.5743 8.7169 8.7169 8.7774 8.7774 9.6017 9.6017 10.2159 10.2159 10.6840 10.6840 k = 0.2128 0.1229 0.3476 ( 14961 PWs) bands (ev): -67.7836 -67.7836 -39.9787 -39.9787 -39.0185 -39.0185 -39.0181 -39.0181 -19.5060 -19.5060 -18.8968 -18.8968 -18.8960 -18.8960 -18.6035 -18.6035 -18.5770 -18.5770 -18.5696 -18.5696 -14.8807 -14.8807 -14.8597 -14.8597 -3.9367 -3.9367 -3.7102 -3.7102 -2.9706 -2.9706 -2.7438 -2.7438 -2.4890 -2.4890 -2.4210 -2.4210 -2.1477 -2.1477 -2.0933 -2.0933 -1.6983 -1.6983 -1.5439 -1.5439 -1.4235 -1.4235 -1.2008 -1.2008 -0.8317 -0.8317 -0.7146 -0.7146 -0.6278 -0.6278 0.2435 0.2435 0.2664 0.2664 0.2935 0.2935 0.4834 0.4834 0.5474 0.5474 0.6224 0.6224 0.9899 0.9899 1.0215 1.0215 1.0347 1.0347 5.5151 5.5151 5.5329 5.5329 5.5749 5.5749 8.7312 8.7312 8.7753 8.7753 9.5408 9.5408 10.1856 10.1856 10.6015 10.6015 k = 0.2027 0.1170 0.3310 ( 14965 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0181 -39.0181 -19.5071 -19.5071 -18.8967 -18.8967 -18.8958 -18.8958 -18.6032 -18.6032 -18.5766 -18.5766 -18.5696 -18.5696 -14.8810 -14.8810 -14.8580 -14.8580 -3.9527 -3.9527 -3.7080 -3.7080 -2.9905 -2.9905 -2.7806 -2.7806 -2.4878 -2.4878 -2.4192 -2.4192 -2.1453 -2.1453 -2.0931 -2.0931 -1.7023 -1.7023 -1.5340 -1.5340 -1.3926 -1.3926 -1.1810 -1.1810 -0.8216 -0.8216 -0.7033 -0.7033 -0.6186 -0.6186 0.2421 0.2421 0.2657 0.2657 0.2940 0.2940 0.4840 0.4840 0.5501 0.5501 0.6232 0.6232 0.9915 0.9915 1.0229 1.0229 1.0358 1.0358 5.5166 5.5166 5.5345 5.5345 5.5757 5.5757 8.7451 8.7451 8.7737 8.7737 9.4790 9.4790 10.1534 10.1534 10.5209 10.5209 k = 0.1926 0.1112 0.3145 ( 14945 PWs) bands (ev): -67.7832 -67.7832 -39.9786 -39.9786 -39.0184 -39.0184 -39.0180 -39.0180 -19.5082 -19.5082 -18.8966 -18.8966 -18.8955 -18.8955 -18.6029 -18.6029 -18.5762 -18.5762 -18.5695 -18.5695 -14.8812 -14.8812 -14.8563 -14.8563 -3.9687 -3.9687 -3.7059 -3.7059 -3.0101 -3.0101 -2.8173 -2.8173 -2.4858 -2.4858 -2.4176 -2.4176 -2.1430 -2.1430 -2.0929 -2.0929 -1.7068 -1.7068 -1.5251 -1.5251 -1.3600 -1.3600 -1.1612 -1.1612 -0.8113 -0.8113 -0.6913 -0.6913 -0.6096 -0.6096 0.2414 0.2414 0.2651 0.2651 0.2942 0.2942 0.4848 0.4848 0.5526 0.5526 0.6240 0.6240 0.9931 0.9931 1.0244 1.0244 1.0369 1.0369 5.5209 5.5209 5.5369 5.5369 5.5775 5.5775 8.7580 8.7580 8.7750 8.7750 9.4166 9.4166 10.1195 10.1195 10.4431 10.4431 k = 0.1824 0.1053 0.2979 ( 14953 PWs) bands (ev): -67.7834 -67.7834 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5093 -19.5093 -18.8965 -18.8965 -18.8953 -18.8953 -18.6026 -18.6026 -18.5758 -18.5758 -18.5695 -18.5695 -14.8814 -14.8814 -14.8547 -14.8547 -3.9847 -3.9847 -3.7040 -3.7040 -3.0293 -3.0293 -2.8536 -2.8536 -2.4832 -2.4832 -2.4163 -2.4163 -2.1411 -2.1411 -2.0936 -2.0936 -1.7118 -1.7118 -1.5170 -1.5170 -1.3266 -1.3266 -1.1417 -1.1417 -0.8011 -0.8011 -0.6786 -0.6786 -0.6009 -0.6009 0.2413 0.2413 0.2644 0.2644 0.2940 0.2940 0.4858 0.4858 0.5550 0.5550 0.6248 0.6248 0.9947 0.9947 1.0259 1.0259 1.0380 1.0380 5.5223 5.5223 5.5384 5.5384 5.5781 5.5781 8.7683 8.7683 8.7750 8.7750 9.3539 9.3539 10.0841 10.0841 10.3684 10.3684 k = 0.1723 0.0995 0.2814 ( 14939 PWs) bands (ev): -67.7830 -67.7830 -39.9786 -39.9786 -39.0184 -39.0184 -39.0180 -39.0180 -19.5105 -19.5105 -18.8964 -18.8964 -18.8952 -18.8952 -18.6022 -18.6022 -18.5754 -18.5754 -18.5694 -18.5694 -14.8816 -14.8816 -14.8530 -14.8530 -4.0005 -4.0005 -3.7021 -3.7021 -3.0479 -3.0479 -2.8891 -2.8891 -2.4800 -2.4800 -2.4151 -2.4151 -2.1394 -2.1394 -2.0946 -2.0946 -1.7172 -1.7172 -1.5091 -1.5091 -1.2925 -1.2925 -1.1225 -1.1225 -0.7912 -0.7912 -0.6654 -0.6654 -0.5924 -0.5924 0.2417 0.2417 0.2638 0.2638 0.2934 0.2934 0.4869 0.4869 0.5574 0.5574 0.6255 0.6255 0.9963 0.9963 1.0274 1.0274 1.0390 1.0390 5.5255 5.5255 5.5409 5.5409 5.5800 5.5800 8.7756 8.7756 8.7796 8.7796 9.2912 9.2912 10.0483 10.0483 10.2973 10.2973 k = 0.1622 0.0936 0.2648 ( 14923 PWs) bands (ev): -67.7826 -67.7826 -39.9785 -39.9785 -39.0183 -39.0183 -39.0180 -39.0180 -19.5116 -19.5116 -18.8962 -18.8962 -18.8950 -18.8950 -18.6019 -18.6019 -18.5750 -18.5750 -18.5694 -18.5694 -14.8818 -14.8818 -14.8513 -14.8513 -4.0162 -4.0162 -3.7003 -3.7003 -3.0659 -3.0659 -2.9235 -2.9235 -2.4763 -2.4763 -2.4143 -2.4143 -2.1380 -2.1380 -2.0960 -2.0960 -1.7231 -1.7231 -1.5013 -1.5013 -1.2585 -1.2585 -1.1035 -1.1035 -0.7817 -0.7817 -0.6518 -0.6518 -0.5842 -0.5842 0.2425 0.2425 0.2633 0.2633 0.2926 0.2926 0.4879 0.4879 0.5601 0.5601 0.6262 0.6262 0.9979 0.9979 1.0289 1.0289 1.0400 1.0400 5.5283 5.5283 5.5436 5.5436 5.5820 5.5820 8.7788 8.7788 8.7880 8.7880 9.2288 9.2288 10.0125 10.0125 10.2301 10.2301 k = 0.1520 0.0878 0.2483 ( 14925 PWs) bands (ev): -67.7826 -67.7826 -39.9785 -39.9785 -39.0183 -39.0183 -39.0180 -39.0180 -19.5127 -19.5127 -18.8961 -18.8961 -18.8949 -18.8949 -18.6015 -18.6015 -18.5746 -18.5746 -18.5694 -18.5694 -14.8820 -14.8820 -14.8497 -14.8497 -4.0314 -4.0314 -3.6985 -3.6985 -3.0833 -3.0833 -2.9566 -2.9566 -2.4723 -2.4723 -2.4136 -2.4136 -2.1370 -2.1370 -2.0981 -2.0981 -1.7292 -1.7292 -1.4935 -1.4935 -1.2248 -1.2248 -1.0850 -1.0850 -0.7728 -0.7728 -0.6380 -0.6380 -0.5763 -0.5763 0.2437 0.2437 0.2628 0.2628 0.2914 0.2914 0.4889 0.4889 0.5632 0.5632 0.6267 0.6267 0.9994 0.9994 1.0304 1.0304 1.0408 1.0408 5.5312 5.5312 5.5449 5.5449 5.5829 5.5829 8.7800 8.7800 8.7942 8.7942 9.1673 9.1673 9.9775 9.9775 10.1667 10.1667 k = 0.1419 0.0819 0.2317 ( 14923 PWs) bands (ev): -67.7825 -67.7825 -39.9785 -39.9785 -39.0183 -39.0183 -39.0180 -39.0180 -19.5139 -19.5139 -18.8959 -18.8959 -18.8947 -18.8947 -18.6012 -18.6012 -18.5741 -18.5741 -18.5694 -18.5694 -14.8821 -14.8821 -14.8481 -14.8481 -4.0463 -4.0463 -3.6969 -3.6969 -3.0998 -3.0998 -2.9883 -2.9883 -2.4679 -2.4679 -2.4133 -2.4133 -2.1363 -2.1363 -2.1006 -2.1006 -1.7356 -1.7356 -1.4857 -1.4857 -1.1918 -1.1918 -1.0670 -1.0670 -0.7646 -0.7646 -0.6241 -0.6241 -0.5688 -0.5688 0.2450 0.2450 0.2624 0.2624 0.2901 0.2901 0.4898 0.4898 0.5668 0.5668 0.6271 0.6271 1.0008 1.0008 1.0319 1.0319 1.0416 1.0416 5.5339 5.5339 5.5466 5.5466 5.5841 5.5841 8.7820 8.7820 8.7993 8.7993 9.1070 9.1070 9.9441 9.9441 10.1076 10.1076 k = 0.1318 0.0761 0.2152 ( 14943 PWs) bands (ev): -67.7830 -67.7830 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5150 -19.5150 -18.8957 -18.8957 -18.8946 -18.8946 -18.6009 -18.6009 -18.5737 -18.5737 -18.5695 -18.5695 -14.8822 -14.8822 -14.8466 -14.8466 -4.0606 -4.0606 -3.6953 -3.6953 -3.1155 -3.1155 -3.0185 -3.0185 -2.4634 -2.4634 -2.4131 -2.4131 -2.1361 -2.1361 -2.1037 -2.1037 -1.7420 -1.7420 -1.4780 -1.4780 -1.1597 -1.1597 -1.0497 -1.0497 -0.7571 -0.7571 -0.6105 -0.6105 -0.5616 -0.5616 0.2463 0.2463 0.2620 0.2620 0.2887 0.2887 0.4905 0.4905 0.5709 0.5709 0.6275 0.6275 1.0022 1.0022 1.0333 1.0333 1.0423 1.0423 5.5352 5.5352 5.5470 5.5470 5.5840 5.5840 8.7823 8.7823 8.8023 8.8023 9.0485 9.0485 9.9127 9.9127 10.0527 10.0527 k = 0.1216 0.0702 0.1986 ( 14943 PWs) bands (ev): -67.7830 -67.7830 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5160 -19.5160 -18.8955 -18.8955 -18.8945 -18.8945 -18.6006 -18.6006 -18.5732 -18.5732 -18.5695 -18.5695 -14.8823 -14.8823 -14.8451 -14.8451 -4.0743 -4.0743 -3.6939 -3.6939 -3.1303 -3.1303 -3.0469 -3.0469 -2.4586 -2.4586 -2.4131 -2.4131 -2.1360 -2.1360 -2.1068 -2.1068 -1.7485 -1.7485 -1.4702 -1.4702 -1.1287 -1.1287 -1.0329 -1.0329 -0.7503 -0.7503 -0.5973 -0.5973 -0.5548 -0.5548 0.2476 0.2476 0.2616 0.2616 0.2872 0.2872 0.4911 0.4911 0.5756 0.5756 0.6278 0.6278 1.0035 1.0035 1.0347 1.0347 1.0428 1.0428 5.5372 5.5372 5.5484 5.5484 5.5848 5.5848 8.7853 8.7853 8.8043 8.8043 8.9922 8.9922 9.8838 9.8838 10.0024 10.0024 k = 0.1115 0.0644 0.1821 ( 14943 PWs) bands (ev): -67.7830 -67.7830 -39.9786 -39.9786 -39.0183 -39.0183 -39.0181 -39.0181 -19.5171 -19.5171 -18.8953 -18.8953 -18.8944 -18.8944 -18.6003 -18.6003 -18.5728 -18.5728 -18.5696 -18.5696 -14.8824 -14.8824 -14.8436 -14.8436 -4.0872 -4.0872 -3.6924 -3.6924 -3.1441 -3.1441 -3.0734 -3.0734 -2.4537 -2.4537 -2.4133 -2.4133 -2.1363 -2.1363 -2.1103 -2.1103 -1.7548 -1.7548 -1.4625 -1.4625 -1.0989 -1.0989 -1.0170 -1.0170 -0.7441 -0.7441 -0.5847 -0.5847 -0.5485 -0.5485 0.2487 0.2487 0.2611 0.2611 0.2857 0.2857 0.4914 0.4914 0.5809 0.5809 0.6281 0.6281 1.0047 1.0047 1.0360 1.0360 1.0432 1.0432 5.5403 5.5403 5.5494 5.5494 5.5857 5.5857 8.7877 8.7877 8.8046 8.8046 8.9388 8.9388 9.8574 9.8574 9.9566 9.9566 k = 0.1014 0.0585 0.1655 ( 14949 PWs) bands (ev): -67.7831 -67.7831 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5180 -19.5180 -18.8951 -18.8951 -18.8943 -18.8943 -18.6000 -18.6000 -18.5724 -18.5724 -18.5696 -18.5696 -14.8825 -14.8825 -14.8423 -14.8423 -4.0993 -4.0993 -3.6911 -3.6911 -3.1569 -3.1569 -3.0980 -3.0980 -2.4488 -2.4488 -2.4136 -2.4136 -2.1367 -2.1367 -2.1141 -2.1141 -1.7610 -1.7610 -1.4550 -1.4550 -1.0708 -1.0708 -1.0019 -1.0019 -0.7387 -0.7387 -0.5729 -0.5729 -0.5426 -0.5426 0.2495 0.2495 0.2605 0.2605 0.2844 0.2844 0.4914 0.4914 0.5866 0.5866 0.6284 0.6284 1.0058 1.0058 1.0372 1.0372 1.0435 1.0435 5.5422 5.5422 5.5504 5.5504 5.5863 5.5863 8.7888 8.7888 8.8041 8.8041 8.8887 8.8887 9.8338 9.8338 9.9152 9.9152 k = 0.0912 0.0527 0.1490 ( 14951 PWs) bands (ev): -67.7832 -67.7832 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5189 -19.5189 -18.8949 -18.8949 -18.8943 -18.8943 -18.5998 -18.5998 -18.5720 -18.5720 -18.5696 -18.5696 -14.8825 -14.8825 -14.8410 -14.8410 -4.1106 -4.1106 -3.6898 -3.6898 -3.1686 -3.1686 -3.1205 -3.1205 -2.4439 -2.4439 -2.4139 -2.4139 -2.1372 -2.1372 -2.1180 -2.1180 -1.7668 -1.7668 -1.4478 -1.4478 -1.0445 -1.0445 -0.9877 -0.9877 -0.7338 -0.7338 -0.5619 -0.5619 -0.5372 -0.5372 0.2502 0.2502 0.2597 0.2597 0.2833 0.2833 0.4913 0.4913 0.5927 0.5927 0.6286 0.6286 1.0068 1.0068 1.0383 1.0383 1.0437 1.0437 5.5445 5.5445 5.5515 5.5515 5.5871 5.5871 8.7899 8.7899 8.8016 8.8016 8.8436 8.8436 9.8129 9.8129 9.8784 9.8784 k = 0.0811 0.0468 0.1324 ( 14965 PWs) bands (ev): -67.7835 -67.7835 -39.9787 -39.9787 -39.0184 -39.0184 -39.0182 -39.0182 -19.5198 -19.5198 -18.8948 -18.8948 -18.8942 -18.8942 -18.5995 -18.5995 -18.5716 -18.5716 -18.5697 -18.5697 -14.8826 -14.8826 -14.8399 -14.8399 -4.1208 -4.1208 -3.6886 -3.6886 -3.1792 -3.1792 -3.1410 -3.1410 -2.4391 -2.4391 -2.4144 -2.4144 -2.1379 -2.1379 -2.1220 -2.1220 -1.7723 -1.7723 -1.4411 -1.4411 -1.0203 -1.0203 -0.9747 -0.9747 -0.7296 -0.7296 -0.5519 -0.5519 -0.5323 -0.5323 0.2507 0.2507 0.2587 0.2587 0.2824 0.2824 0.4911 0.4911 0.5988 0.5988 0.6289 0.6289 1.0078 1.0078 1.0394 1.0394 1.0438 1.0438 5.5456 5.5456 5.5517 5.5517 5.5870 5.5870 8.7865 8.7865 8.7921 8.7921 8.8121 8.8121 9.7946 9.7946 9.8459 9.8459 k = 0.0709 0.0410 0.1159 ( 14971 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5205 -19.5205 -18.8946 -18.8946 -18.8942 -18.8942 -18.5994 -18.5994 -18.5712 -18.5712 -18.5697 -18.5697 -14.8826 -14.8826 -14.8389 -14.8389 -4.1301 -4.1301 -3.6875 -3.6875 -3.1887 -3.1887 -3.1592 -3.1592 -2.4346 -2.4346 -2.4148 -2.4148 -2.1385 -2.1385 -2.1258 -2.1258 -1.7773 -1.7773 -1.4349 -1.4349 -0.9983 -0.9983 -0.9629 -0.9629 -0.7260 -0.7260 -0.5430 -0.5430 -0.5279 -0.5279 0.2510 0.2510 0.2576 0.2576 0.2818 0.2818 0.4908 0.4908 0.6050 0.6050 0.6291 0.6291 1.0086 1.0086 1.0403 1.0403 1.0438 1.0438 5.5473 5.5473 5.5516 5.5516 5.5870 5.5870 8.7545 8.7545 8.7925 8.7925 8.8045 8.8045 9.7789 9.7789 9.8179 9.8179 k = 0.0608 0.0351 0.0993 ( 14961 PWs) bands (ev): -67.7834 -67.7834 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5212 -19.5212 -18.8945 -18.8945 -18.8941 -18.8941 -18.5992 -18.5992 -18.5709 -18.5709 -18.5698 -18.5698 -14.8826 -14.8826 -14.8379 -14.8379 -4.1382 -4.1382 -3.6865 -3.6865 -3.1970 -3.1970 -3.1751 -3.1751 -2.4303 -2.4303 -2.4153 -2.4153 -2.1391 -2.1391 -2.1292 -2.1292 -1.7817 -1.7817 -1.4292 -1.4292 -0.9787 -0.9787 -0.9524 -0.9524 -0.7230 -0.7230 -0.5352 -0.5352 -0.5241 -0.5241 0.2512 0.2512 0.2563 0.2563 0.2813 0.2813 0.4904 0.4904 0.6109 0.6109 0.6293 0.6293 1.0092 1.0092 1.0411 1.0411 1.0438 1.0438 5.5501 5.5501 5.5520 5.5520 5.5878 5.5878 8.7213 8.7213 8.7947 8.7947 8.8017 8.8017 9.7657 9.7657 9.7943 9.7943 k = 0.0507 0.0293 0.0828 ( 14959 PWs) bands (ev): -67.7833 -67.7833 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5218 -19.5218 -18.8943 -18.8943 -18.8941 -18.8941 -18.5990 -18.5990 -18.5706 -18.5706 -18.5698 -18.5698 -14.8826 -14.8826 -14.8371 -14.8371 -4.1452 -4.1452 -3.6856 -3.6856 -3.2040 -3.2040 -3.1888 -3.1888 -2.4265 -2.4265 -2.4157 -2.4157 -2.1397 -2.1397 -2.1326 -2.1326 -1.7856 -1.7856 -1.4242 -1.4242 -0.9617 -0.9617 -0.9433 -0.9433 -0.7205 -0.7205 -0.5286 -0.5286 -0.5208 -0.5208 0.2513 0.2513 0.2550 0.2550 0.2809 0.2809 0.4900 0.4900 0.6163 0.6163 0.6295 0.6295 1.0098 1.0098 1.0418 1.0418 1.0437 1.0437 5.5519 5.5519 5.5533 5.5533 5.5890 5.5890 8.6921 8.6921 8.7942 8.7942 8.7994 8.7994 9.7547 9.7547 9.7744 9.7744 k = 0.0405 0.0234 0.0662 ( 14975 PWs) bands (ev): -67.7838 -67.7838 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5223 -19.5223 -18.8942 -18.8942 -18.8941 -18.8941 -18.5989 -18.5989 -18.5704 -18.5704 -18.5698 -18.5698 -14.8827 -14.8827 -14.8365 -14.8365 -4.1509 -4.1509 -3.6848 -3.6848 -3.2098 -3.2098 -3.2000 -3.2000 -2.4232 -2.4232 -2.4161 -2.4161 -2.1405 -2.1405 -2.1358 -2.1358 -1.7888 -1.7888 -1.4201 -1.4201 -0.9476 -0.9476 -0.9357 -0.9357 -0.7185 -0.7185 -0.5231 -0.5231 -0.5182 -0.5182 0.2513 0.2513 0.2538 0.2538 0.2806 0.2806 0.4896 0.4896 0.6210 0.6210 0.6297 0.6297 1.0103 1.0103 1.0424 1.0424 1.0436 1.0436 5.5523 5.5523 5.5536 5.5536 5.5890 5.5890 8.6678 8.6678 8.7927 8.7927 8.7963 8.7963 9.7457 9.7457 9.7581 9.7581 k = 0.0304 0.0176 0.0497 ( 15007 PWs) bands (ev): -67.7846 -67.7846 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.5227 -19.5227 -18.8942 -18.8942 -18.8941 -18.8941 -18.5989 -18.5989 -18.5702 -18.5702 -18.5699 -18.5699 -14.8827 -14.8827 -14.8360 -14.8360 -4.1555 -4.1555 -3.6842 -3.6842 -3.2144 -3.2144 -3.2089 -3.2089 -2.4205 -2.4205 -2.4165 -2.4165 -2.1412 -2.1412 -2.1383 -2.1383 -1.7914 -1.7914 -1.4170 -1.4170 -0.9366 -0.9366 -0.9299 -0.9299 -0.7170 -0.7170 -0.5189 -0.5189 -0.5161 -0.5161 0.2513 0.2513 0.2528 0.2528 0.2804 0.2804 0.4893 0.4893 0.6249 0.6249 0.6299 0.6299 1.0106 1.0106 1.0428 1.0428 1.0436 1.0436 5.5509 5.5509 5.5518 5.5518 5.5871 5.5871 8.6486 8.6486 8.7925 8.7925 8.7928 8.7928 9.7386 9.7386 9.7459 9.7459 k = 0.0203 0.0117 0.0331 ( 15029 PWs) bands (ev): -67.7851 -67.7851 -39.9789 -39.9789 -39.0187 -39.0187 -39.0184 -39.0184 -19.5230 -19.5230 -18.8941 -18.8941 -18.8941 -18.8941 -18.5988 -18.5988 -18.5700 -18.5700 -18.5699 -18.5699 -14.8827 -14.8827 -14.8356 -14.8356 -4.1588 -4.1588 -3.6837 -3.6837 -3.2177 -3.2177 -3.2152 -3.2152 -2.4185 -2.4185 -2.4167 -2.4167 -2.1418 -2.1418 -2.1403 -2.1403 -1.7933 -1.7933 -1.4148 -1.4148 -0.9286 -0.9286 -0.9257 -0.9257 -0.7160 -0.7160 -0.5159 -0.5159 -0.5146 -0.5146 0.2513 0.2513 0.2520 0.2520 0.2803 0.2803 0.4890 0.4890 0.6277 0.6277 0.6300 0.6300 1.0109 1.0109 1.0432 1.0432 1.0435 1.0435 5.5499 5.5499 5.5512 5.5512 5.5861 5.5861 8.6348 8.6348 8.7906 8.7906 8.7913 8.7913 9.7336 9.7336 9.7371 9.7371 k = 0.0101 0.0059 0.0166 ( 15059 PWs) bands (ev): -67.7859 -67.7859 -39.9790 -39.9790 -39.0188 -39.0188 -39.0186 -39.0186 -19.5231 -19.5231 -18.8941 -18.8941 -18.8941 -18.8941 -18.5988 -18.5988 -18.5700 -18.5700 -18.5699 -18.5699 -14.8827 -14.8827 -14.8354 -14.8354 -4.1607 -4.1607 -3.6835 -3.6835 -3.2197 -3.2197 -3.2190 -3.2190 -2.4173 -2.4173 -2.4168 -2.4168 -2.1422 -2.1422 -2.1419 -2.1419 -1.7944 -1.7944 -1.4134 -1.4134 -0.9239 -0.9239 -0.9231 -0.9231 -0.7154 -0.7154 -0.5140 -0.5140 -0.5137 -0.5137 0.2513 0.2513 0.2515 0.2515 0.2802 0.2802 0.4889 0.4889 0.6295 0.6295 0.6301 0.6301 1.0110 1.0110 1.0433 1.0433 1.0434 1.0434 5.5492 5.5492 5.5496 5.5496 5.5848 5.5848 8.6265 8.6265 8.7885 8.7885 8.7887 8.7887 9.7305 9.7305 9.7313 9.7313 k = 0.0000 0.0000 0.0000 ( 15065 PWs) bands (ev): -67.7861 -67.7861 -39.9790 -39.9790 -39.0189 -39.0189 -39.0186 -39.0186 -19.5232 -19.5232 -18.8941 -18.8941 -18.8941 -18.8941 -18.5987 -18.5987 -18.5699 -18.5699 -18.5699 -18.5699 -14.8827 -14.8827 -14.8353 -14.8353 -4.1614 -4.1614 -3.6834 -3.6834 -3.2203 -3.2203 -3.2203 -3.2203 -2.4169 -2.4169 -2.4169 -2.4169 -2.1424 -2.1424 -2.1424 -2.1424 -1.7948 -1.7948 -1.4130 -1.4130 -0.9223 -0.9223 -0.9223 -0.9223 -0.7152 -0.7152 -0.5134 -0.5134 -0.5134 -0.5134 0.2513 0.2513 0.2513 0.2513 0.2802 0.2802 0.4888 0.4888 0.6301 0.6301 0.6301 0.6301 1.0111 1.0111 1.0434 1.0434 1.0434 1.0434 5.5491 5.5491 5.5492 5.5492 5.5845 5.5845 8.6237 8.6237 8.7882 8.7882 8.7882 8.7882 9.7296 9.7296 9.7296 9.7296 k = 0.0000 0.0000 0.0000 ( 15065 PWs) bands (ev): -67.7861 -67.7861 -39.9790 -39.9790 -39.0189 -39.0189 -39.0186 -39.0186 -19.5232 -19.5232 -18.8941 -18.8941 -18.8941 -18.8941 -18.5987 -18.5987 -18.5699 -18.5699 -18.5699 -18.5699 -14.8827 -14.8827 -14.8353 -14.8353 -4.1614 -4.1614 -3.6834 -3.6834 -3.2203 -3.2203 -3.2203 -3.2203 -2.4169 -2.4169 -2.4169 -2.4169 -2.1424 -2.1424 -2.1424 -2.1424 -1.7948 -1.7948 -1.4130 -1.4130 -0.9223 -0.9223 -0.9223 -0.9223 -0.7152 -0.7152 -0.5134 -0.5134 -0.5134 -0.5134 0.2513 0.2513 0.2513 0.2513 0.2802 0.2802 0.4888 0.4888 0.6301 0.6301 0.6301 0.6301 1.0111 1.0111 1.0434 1.0434 1.0434 1.0434 5.5491 5.5491 5.5492 5.5492 5.5845 5.5845 8.6237 8.6237 8.7882 8.7882 8.7882 8.7882 9.7296 9.7296 9.7296 9.7296 k = 0.0161 0.0093 0.0066 ( 15058 PWs) bands (ev): -67.7859 -67.7859 -39.9790 -39.9790 -39.0188 -39.0188 -39.0185 -39.0185 -19.5231 -19.5231 -18.8941 -18.8941 -18.8941 -18.8941 -18.5988 -18.5988 -18.5699 -18.5699 -18.5699 -18.5699 -14.8827 -14.8827 -14.8354 -14.8354 -4.1608 -4.1608 -3.6835 -3.6835 -3.2197 -3.2197 -3.2191 -3.2191 -2.4172 -2.4172 -2.4169 -2.4169 -2.1422 -2.1422 -2.1420 -2.1420 -1.7945 -1.7945 -1.4134 -1.4134 -0.9238 -0.9238 -0.9231 -0.9231 -0.7153 -0.7153 -0.5140 -0.5140 -0.5137 -0.5137 0.2513 0.2513 0.2514 0.2514 0.2802 0.2802 0.4889 0.4889 0.6295 0.6295 0.6301 0.6301 1.0111 1.0111 1.0433 1.0433 1.0434 1.0434 5.5492 5.5492 5.5496 5.5496 5.5848 5.5848 8.6263 8.6263 8.7887 8.7887 8.7887 8.7887 9.7309 9.7309 9.7309 9.7309 k = 0.0323 0.0186 0.0132 ( 15025 PWs) bands (ev): -67.7850 -67.7850 -39.9789 -39.9789 -39.0187 -39.0187 -39.0184 -39.0184 -19.5230 -19.5230 -18.8941 -18.8941 -18.8941 -18.8941 -18.5988 -18.5988 -18.5700 -18.5700 -18.5699 -18.5699 -14.8827 -14.8827 -14.8356 -14.8356 -4.1589 -4.1589 -3.6837 -3.6837 -3.2179 -3.2179 -3.2153 -3.2153 -2.4183 -2.4183 -2.4169 -2.4169 -2.1415 -2.1415 -2.1406 -2.1406 -1.7933 -1.7933 -1.4146 -1.4146 -0.9284 -0.9284 -0.9253 -0.9253 -0.7159 -0.7159 -0.5158 -0.5158 -0.5145 -0.5145 0.2515 0.2515 0.2517 0.2517 0.2803 0.2803 0.4890 0.4890 0.6277 0.6277 0.6301 0.6301 1.0109 1.0109 1.0431 1.0431 1.0435 1.0435 5.5505 5.5505 5.5513 5.5513 5.5864 5.5864 8.6343 8.6343 8.7909 8.7909 8.7910 8.7910 9.7350 9.7350 9.7352 9.7352 k = 0.0484 0.0279 0.0198 ( 15001 PWs) bands (ev): -67.7844 -67.7844 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.5227 -19.5227 -18.8941 -18.8941 -18.8941 -18.8941 -18.5988 -18.5988 -18.5702 -18.5702 -18.5699 -18.5699 -14.8827 -14.8827 -14.8359 -14.8359 -4.1558 -4.1558 -3.6842 -3.6842 -3.2150 -3.2150 -3.2091 -3.2091 -2.4200 -2.4200 -2.4168 -2.4168 -2.1408 -2.1408 -2.1388 -2.1388 -1.7916 -1.7916 -1.4168 -1.4168 -0.9362 -0.9362 -0.9291 -0.9291 -0.7169 -0.7169 -0.5188 -0.5188 -0.5158 -0.5158 0.2518 0.2518 0.2523 0.2523 0.2804 0.2804 0.4893 0.4893 0.6248 0.6248 0.6302 0.6302 1.0107 1.0107 1.0428 1.0428 1.0436 1.0436 5.5515 5.5515 5.5520 5.5520 5.5874 5.5874 8.6474 8.6474 8.7929 8.7929 8.7930 8.7930 9.7416 9.7416 9.7419 9.7419 k = 0.0645 0.0372 0.0263 ( 14989 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0186 -39.0186 -39.0182 -39.0182 -19.5223 -19.5223 -18.8942 -18.8942 -18.8942 -18.8942 -18.5989 -18.5989 -18.5704 -18.5704 -18.5698 -18.5698 -14.8827 -14.8827 -14.8364 -14.8364 -4.1515 -4.1515 -3.6847 -3.6847 -3.2109 -3.2109 -3.2005 -3.2005 -2.4223 -2.4223 -2.4167 -2.4167 -2.1402 -2.1402 -2.1367 -2.1367 -1.7891 -1.7891 -1.4198 -1.4198 -0.9469 -0.9469 -0.9345 -0.9345 -0.7184 -0.7184 -0.5230 -0.5230 -0.5176 -0.5176 0.2521 0.2521 0.2530 0.2530 0.2805 0.2805 0.4896 0.4896 0.6209 0.6209 0.6303 0.6303 1.0103 1.0103 1.0423 1.0423 1.0437 1.0437 5.5519 5.5519 5.5521 5.5521 5.5880 5.5880 8.6657 8.6657 8.7939 8.7939 8.7941 8.7941 9.7504 9.7504 9.7510 9.7510 k = 0.0806 0.0466 0.0329 ( 14965 PWs) bands (ev): -67.7835 -67.7835 -39.9787 -39.9787 -39.0185 -39.0185 -39.0181 -39.0181 -19.5219 -19.5219 -18.8942 -18.8942 -18.8942 -18.8942 -18.5990 -18.5990 -18.5706 -18.5706 -18.5698 -18.5698 -14.8826 -14.8826 -14.8371 -14.8371 -4.1460 -4.1460 -3.6855 -3.6855 -3.2057 -3.2057 -3.1894 -3.1894 -2.4252 -2.4252 -2.4166 -2.4166 -2.1392 -2.1392 -2.1339 -2.1339 -1.7860 -1.7860 -1.4236 -1.4236 -0.9607 -0.9607 -0.9412 -0.9412 -0.7203 -0.7203 -0.5283 -0.5283 -0.5200 -0.5200 0.2525 0.2525 0.2538 0.2538 0.2807 0.2807 0.4900 0.4900 0.6160 0.6160 0.6305 0.6305 1.0099 1.0099 1.0417 1.0417 1.0439 1.0439 5.5518 5.5518 5.5533 5.5533 5.5889 5.5889 8.6891 8.6891 8.7960 8.7960 8.7964 8.7964 9.7621 9.7621 9.7630 9.7630 k = 0.0968 0.0559 0.0395 ( 14980 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5213 -19.5213 -18.8943 -18.8943 -18.8943 -18.8943 -18.5992 -18.5992 -18.5709 -18.5709 -18.5697 -18.5697 -14.8826 -14.8826 -14.8378 -14.8378 -4.1394 -4.1394 -3.6863 -3.6863 -3.1995 -3.1995 -3.1762 -3.1762 -2.4286 -2.4286 -2.4165 -2.4165 -2.1384 -2.1384 -2.1310 -2.1310 -1.7824 -1.7824 -1.4285 -1.4285 -0.9775 -0.9775 -0.9493 -0.9493 -0.7227 -0.7227 -0.5348 -0.5348 -0.5228 -0.5228 0.2530 0.2530 0.2546 0.2546 0.2809 0.2809 0.4905 0.4905 0.6102 0.6102 0.6308 0.6308 1.0093 1.0093 1.0410 1.0410 1.0440 1.0440 5.5481 5.5481 5.5523 5.5523 5.5872 5.5872 8.7172 8.7172 8.7967 8.7967 8.7972 8.7972 9.7762 9.7762 9.7776 9.7776 k = 0.1129 0.0652 0.0461 ( 14974 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5207 -19.5207 -18.8944 -18.8944 -18.8944 -18.8944 -18.5993 -18.5993 -18.5712 -18.5712 -18.5696 -18.5696 -14.8826 -14.8826 -14.8387 -14.8387 -4.1316 -4.1316 -3.6873 -3.6873 -3.1921 -3.1921 -3.1605 -3.1605 -2.4323 -2.4323 -2.4163 -2.4163 -2.1374 -2.1374 -2.1278 -2.1278 -1.7782 -1.7782 -1.4339 -1.4339 -0.9968 -0.9968 -0.9585 -0.9585 -0.7257 -0.7257 -0.5423 -0.5423 -0.5262 -0.5262 0.2535 0.2535 0.2555 0.2555 0.2810 0.2810 0.4910 0.4910 0.6038 0.6038 0.6314 0.6314 1.0087 1.0087 1.0402 1.0402 1.0441 1.0441 5.5462 5.5462 5.5520 5.5520 5.5867 5.5867 8.7501 8.7501 8.7982 8.7982 8.7988 8.7988 9.7934 9.7934 9.7953 9.7953 k = 0.1290 0.0745 0.0527 ( 14959 PWs) bands (ev): -67.7834 -67.7834 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5200 -19.5200 -18.8945 -18.8945 -18.8945 -18.8945 -18.5995 -18.5995 -18.5716 -18.5716 -18.5696 -18.5696 -14.8826 -14.8826 -14.8397 -14.8397 -4.1228 -4.1228 -3.6884 -3.6884 -3.1838 -3.1838 -3.1426 -3.1426 -2.4364 -2.4364 -2.4160 -2.4160 -2.1365 -2.1365 -2.1246 -2.1246 -1.7735 -1.7735 -1.4399 -1.4399 -1.0183 -1.0183 -0.9687 -0.9687 -0.7293 -0.7293 -0.5509 -0.5509 -0.5301 -0.5301 0.2540 0.2540 0.2564 0.2564 0.2812 0.2812 0.4914 0.4914 0.5969 0.5969 0.6321 0.6321 1.0079 1.0079 1.0392 1.0392 1.0441 1.0441 5.5470 5.5470 5.5514 5.5514 5.5871 5.5871 8.7869 8.7869 8.7998 8.7998 8.8000 8.8000 9.8135 9.8135 9.8159 9.8159 k = 0.1452 0.0838 0.0593 ( 14965 PWs) bands (ev): -67.7835 -67.7835 -39.9787 -39.9787 -39.0185 -39.0185 -39.0181 -39.0181 -19.5192 -19.5192 -18.8946 -18.8946 -18.8946 -18.8946 -18.5997 -18.5997 -18.5720 -18.5720 -18.5695 -18.5695 -14.8825 -14.8825 -14.8408 -14.8408 -4.1131 -4.1131 -3.6895 -3.6895 -3.1745 -3.1745 -3.1225 -3.1225 -2.4408 -2.4408 -2.4157 -2.4157 -2.1358 -2.1358 -2.1215 -2.1215 -1.7684 -1.7684 -1.4465 -1.4465 -1.0423 -1.0423 -0.9798 -0.9798 -0.7335 -0.7335 -0.5605 -0.5605 -0.5345 -0.5345 0.2545 0.2545 0.2572 0.2572 0.2813 0.2813 0.4917 0.4917 0.5898 0.5898 0.6332 0.6332 1.0070 1.0070 1.0381 1.0381 1.0441 1.0441 5.5450 5.5450 5.5504 5.5504 5.5863 5.5863 8.7987 8.7987 8.8000 8.8000 8.8295 8.8295 9.8364 9.8364 9.8396 9.8396 k = 0.1613 0.0931 0.0658 ( 14971 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0181 -39.0181 -19.5183 -19.5183 -18.8947 -18.8947 -18.8947 -18.8947 -18.6000 -18.6000 -18.5724 -18.5724 -18.5694 -18.5694 -14.8824 -14.8824 -14.8420 -14.8420 -4.1024 -4.1024 -3.6908 -3.6908 -3.1642 -3.1642 -3.1003 -3.1003 -2.4454 -2.4454 -2.4153 -2.4153 -2.1351 -2.1351 -2.1186 -2.1186 -1.7630 -1.7630 -1.4537 -1.4537 -1.0684 -1.0684 -0.9916 -0.9916 -0.7385 -0.7385 -0.5708 -0.5708 -0.5394 -0.5394 0.2550 0.2550 0.2578 0.2578 0.2815 0.2815 0.4917 0.4917 0.5826 0.5826 0.6346 0.6346 1.0060 1.0060 1.0369 1.0369 1.0441 1.0441 5.5424 5.5424 5.5495 5.5495 5.5854 5.5854 8.7987 8.7987 8.8001 8.8001 8.8748 8.8748 9.8625 9.8625 9.8664 9.8664 k = 0.1774 0.1024 0.0724 ( 14959 PWs) bands (ev): -67.7834 -67.7834 -39.9786 -39.9786 -39.0185 -39.0185 -39.0181 -39.0181 -19.5174 -19.5174 -18.8948 -18.8948 -18.8948 -18.8948 -18.6003 -18.6003 -18.5729 -18.5729 -18.5693 -18.5693 -14.8824 -14.8824 -14.8432 -14.8432 -4.0909 -4.0909 -3.6922 -3.6922 -3.1531 -3.1531 -3.0760 -3.0760 -2.4500 -2.4500 -2.4148 -2.4148 -2.1343 -2.1343 -2.1156 -2.1156 -1.7572 -1.7572 -1.4613 -1.4613 -1.0962 -1.0962 -1.0038 -1.0038 -0.7442 -0.7442 -0.5818 -0.5818 -0.5447 -0.5447 0.2554 0.2554 0.2583 0.2583 0.2816 0.2816 0.4912 0.4912 0.5758 0.5758 0.6363 0.6363 1.0049 1.0049 1.0357 1.0357 1.0439 1.0439 5.5400 5.5400 5.5490 5.5490 5.5849 5.5849 8.8003 8.8003 8.8018 8.8018 8.9237 8.9237 9.8920 9.8920 9.8968 9.8968 k = 0.1935 0.1117 0.0790 ( 14953 PWs) bands (ev): -67.7833 -67.7833 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5164 -19.5164 -18.8950 -18.8950 -18.8950 -18.8950 -18.6006 -18.6006 -18.5733 -18.5733 -18.5692 -18.5692 -14.8823 -14.8823 -14.8446 -14.8446 -4.0786 -4.0786 -3.6936 -3.6936 -3.1411 -3.1411 -3.0497 -3.0497 -2.4548 -2.4548 -2.4142 -2.4142 -2.1337 -2.1337 -2.1131 -2.1131 -1.7514 -1.7514 -1.4694 -1.4694 -1.1255 -1.1255 -1.0162 -1.0162 -0.7509 -0.7509 -0.5933 -0.5933 -0.5505 -0.5505 0.2556 0.2556 0.2585 0.2585 0.2818 0.2818 0.4901 0.4901 0.5697 0.5697 0.6384 0.6384 1.0037 1.0037 1.0343 1.0343 1.0436 1.0436 5.5375 5.5375 5.5487 5.5487 5.5846 5.5846 8.8007 8.8007 8.8022 8.8022 8.9759 8.9759 9.9246 9.9246 9.9303 9.9303 k = 0.2097 0.1211 0.0856 ( 14953 PWs) bands (ev): -67.7833 -67.7833 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5154 -19.5154 -18.8951 -18.8951 -18.8951 -18.8951 -18.6009 -18.6009 -18.5738 -18.5738 -18.5691 -18.5691 -14.8821 -14.8821 -14.8460 -14.8460 -4.0656 -4.0656 -3.6952 -3.6952 -3.1284 -3.1284 -3.0216 -3.0216 -2.4595 -2.4595 -2.4136 -2.4136 -2.1335 -2.1335 -2.1112 -2.1112 -1.7455 -1.7455 -1.4781 -1.4781 -1.1559 -1.1559 -1.0288 -1.0288 -0.7585 -0.7585 -0.6051 -0.6051 -0.5567 -0.5567 0.2557 0.2557 0.2586 0.2586 0.2820 0.2820 0.4881 0.4881 0.5645 0.5645 0.6409 0.6409 1.0024 1.0024 1.0328 1.0328 1.0431 1.0431 5.5347 5.5347 5.5481 5.5481 5.5841 5.5841 8.8002 8.8002 8.8019 8.8019 9.0307 9.0307 9.9603 9.9603 9.9671 9.9671 k = 0.2258 0.1304 0.0922 ( 14944 PWs) bands (ev): -67.7831 -67.7831 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5144 -19.5144 -18.8952 -18.8952 -18.8952 -18.8952 -18.6013 -18.6013 -18.5742 -18.5742 -18.5689 -18.5689 -14.8820 -14.8820 -14.8475 -14.8475 -4.0520 -4.0520 -3.6969 -3.6969 -3.1151 -3.1151 -2.9915 -2.9915 -2.4642 -2.4642 -2.4129 -2.4129 -2.1334 -2.1334 -2.1098 -2.1098 -1.7398 -1.7398 -1.4874 -1.4874 -1.1869 -1.1869 -1.0413 -1.0413 -0.7672 -0.7672 -0.6169 -0.6169 -0.5632 -0.5632 0.2556 0.2556 0.2584 0.2584 0.2823 0.2823 0.4850 0.4850 0.5606 0.5606 0.6437 0.6437 1.0010 1.0010 1.0313 1.0313 1.0426 1.0426 5.5327 5.5327 5.5474 5.5474 5.5837 5.5837 8.8004 8.8004 8.8021 8.8021 9.0878 9.0878 9.9992 9.9992 10.0071 10.0071 k = 0.2419 0.1397 0.0988 ( 14944 PWs) bands (ev): -67.7831 -67.7831 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5134 -19.5134 -18.8954 -18.8954 -18.8954 -18.8954 -18.6017 -18.6017 -18.5746 -18.5746 -18.5688 -18.5688 -14.8818 -14.8818 -14.8491 -14.8491 -4.0379 -4.0379 -3.6988 -3.6988 -3.1013 -3.1013 -2.9598 -2.9598 -2.4688 -2.4688 -2.4121 -2.4121 -2.1336 -2.1336 -2.1091 -2.1091 -1.7343 -1.7343 -1.4977 -1.4977 -1.2178 -1.2178 -1.0536 -1.0536 -0.7771 -0.7771 -0.6285 -0.6285 -0.5701 -0.5701 0.2553 0.2553 0.2581 0.2581 0.2827 0.2827 0.4808 0.4808 0.5580 0.5580 0.6469 0.6469 0.9995 0.9995 1.0298 1.0298 1.0419 1.0419 5.5297 5.5297 5.5464 5.5464 5.5829 5.5829 8.7998 8.7998 8.8016 8.8016 9.1465 9.1465 10.0412 10.0412 10.0502 10.0502 k = 0.2581 0.1490 0.1054 ( 14947 PWs) bands (ev): -67.7832 -67.7832 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5123 -19.5123 -18.8955 -18.8955 -18.8955 -18.8955 -18.6021 -18.6021 -18.5750 -18.5750 -18.5687 -18.5687 -14.8816 -14.8816 -14.8506 -14.8506 -4.0235 -4.0235 -3.7009 -3.7009 -3.0871 -3.0871 -2.9264 -2.9264 -2.4732 -2.4732 -2.4111 -2.4111 -2.1340 -2.1340 -2.1090 -2.1090 -1.7294 -1.7294 -1.5094 -1.5094 -1.2480 -1.2480 -1.0656 -1.0656 -0.7882 -0.7882 -0.6398 -0.6398 -0.5772 -0.5772 0.2548 0.2548 0.2575 0.2575 0.2832 0.2832 0.4756 0.4756 0.5568 0.5568 0.6503 0.6503 0.9980 0.9980 1.0281 1.0281 1.0411 1.0411 5.5271 5.5271 5.5446 5.5446 5.5816 5.5816 8.7992 8.7992 8.8010 8.8010 9.2061 9.2061 10.0862 10.0862 10.0964 10.0964 k = 0.2742 0.1583 0.1119 ( 14935 PWs) bands (ev): -67.7829 -67.7829 -39.9786 -39.9786 -39.0183 -39.0183 -39.0180 -39.0180 -19.5112 -19.5112 -18.8957 -18.8957 -18.8957 -18.8957 -18.6026 -18.6026 -18.5754 -18.5754 -18.5686 -18.5686 -14.8814 -14.8814 -14.8522 -14.8522 -4.0087 -4.0087 -3.7031 -3.7031 -3.0725 -3.0725 -2.8916 -2.8916 -2.4775 -2.4775 -2.4101 -2.4101 -2.1347 -2.1347 -2.1097 -2.1097 -1.7252 -1.7252 -1.5229 -1.5229 -1.2764 -1.2764 -1.0768 -1.0768 -0.8004 -0.8004 -0.6504 -0.6504 -0.5845 -0.5845 0.2541 0.2541 0.2568 0.2568 0.2838 0.2838 0.4697 0.4697 0.5566 0.5566 0.6541 0.6541 0.9965 0.9965 1.0265 1.0265 1.0401 1.0401 5.5246 5.5246 5.5447 5.5447 5.5818 5.5818 8.7987 8.7987 8.8005 8.8005 9.2661 9.2661 10.1341 10.1341 10.1456 10.1456 k = 0.2903 0.1676 0.1185 ( 14965 PWs) bands (ev): -67.7836 -67.7836 -39.9787 -39.9787 -39.0184 -39.0184 -39.0182 -39.0182 -19.5102 -19.5102 -18.8958 -18.8958 -18.8958 -18.8958 -18.6031 -18.6031 -18.5758 -18.5758 -18.5685 -18.5685 -14.8811 -14.8811 -14.8538 -14.8538 -3.9937 -3.9937 -3.7056 -3.7056 -3.0578 -3.0578 -2.8554 -2.8554 -2.4815 -2.4815 -2.4090 -2.4090 -2.1359 -2.1359 -2.1113 -2.1113 -1.7221 -1.7221 -1.5391 -1.5391 -1.3021 -1.3021 -1.0877 -1.0877 -0.8137 -0.8137 -0.6602 -0.6602 -0.5920 -0.5920 0.2533 0.2533 0.2559 0.2559 0.2845 0.2845 0.4633 0.4633 0.5574 0.5574 0.6580 0.6580 0.9949 0.9949 1.0249 1.0249 1.0391 1.0391 5.5186 5.5186 5.5422 5.5422 5.5792 5.5792 8.7967 8.7967 8.7986 8.7986 9.3255 9.3255 10.1847 10.1847 10.1975 10.1975 k = 0.3065 0.1769 0.1251 ( 14953 PWs) bands (ev): -67.7833 -67.7833 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5092 -19.5092 -18.8959 -18.8959 -18.8959 -18.8959 -18.6035 -18.6035 -18.5761 -18.5761 -18.5684 -18.5684 -14.8808 -14.8808 -14.8554 -14.8554 -3.9787 -3.9787 -3.7083 -3.7083 -3.0430 -3.0430 -2.8180 -2.8180 -2.4853 -2.4853 -2.4077 -2.4077 -2.1371 -2.1371 -2.1135 -2.1135 -1.7205 -1.7205 -1.5579 -1.5579 -1.3237 -1.3237 -1.0975 -1.0975 -0.8280 -0.8280 -0.6693 -0.6693 -0.5995 -0.5995 0.2523 0.2523 0.2549 0.2549 0.2853 0.2853 0.4567 0.4567 0.5589 0.5589 0.6620 0.6620 0.9933 0.9933 1.0232 1.0232 1.0379 1.0379 5.5161 5.5161 5.5425 5.5425 5.5796 5.5796 8.7960 8.7960 8.7979 8.7979 9.3836 9.3836 10.2380 10.2380 10.2520 10.2520 k = 0.3226 0.1862 0.1317 ( 14950 PWs) bands (ev): -67.7832 -67.7832 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5082 -19.5082 -18.8961 -18.8961 -18.8961 -18.8961 -18.6040 -18.6040 -18.5764 -18.5764 -18.5683 -18.5683 -14.8805 -14.8805 -14.8570 -14.8570 -3.9637 -3.9637 -3.7114 -3.7114 -3.0283 -3.0283 -2.7797 -2.7797 -2.4889 -2.4889 -2.4063 -2.4063 -2.1386 -2.1386 -2.1164 -2.1164 -1.7214 -1.7214 -1.5789 -1.5789 -1.3410 -1.3410 -1.1065 -1.1065 -0.8430 -0.8430 -0.6775 -0.6775 -0.6069 -0.6069 0.2513 0.2513 0.2539 0.2539 0.2861 0.2861 0.4500 0.4500 0.5607 0.5607 0.6662 0.6662 0.9918 0.9918 1.0216 1.0216 1.0367 1.0367 5.5139 5.5139 5.5418 5.5418 5.5792 5.5792 8.7947 8.7947 8.7965 8.7965 9.4394 9.4394 10.2936 10.2936 10.3090 10.3090 k = 0.3387 0.1956 0.1383 ( 14932 PWs) bands (ev): -67.7828 -67.7828 -39.9785 -39.9785 -39.0183 -39.0183 -39.0180 -39.0180 -19.5073 -19.5073 -18.8962 -18.8962 -18.8962 -18.8962 -18.6045 -18.6045 -18.5767 -18.5767 -18.5682 -18.5682 -14.8801 -14.8801 -14.8586 -14.8586 -3.9489 -3.9489 -3.7147 -3.7147 -3.0140 -3.0140 -2.7406 -2.7406 -2.4921 -2.4921 -2.4045 -2.4045 -2.1403 -2.1403 -2.1199 -2.1199 -1.7262 -1.7262 -1.6005 -1.6005 -1.3536 -1.3536 -1.1146 -1.1146 -0.8585 -0.8585 -0.6848 -0.6848 -0.6142 -0.6142 0.2502 0.2502 0.2528 0.2528 0.2869 0.2869 0.4436 0.4436 0.5629 0.5629 0.6703 0.6703 0.9902 0.9902 1.0201 1.0201 1.0354 1.0354 5.5144 5.5144 5.5414 5.5414 5.5795 5.5795 8.7938 8.7938 8.7956 8.7956 9.4922 9.4922 10.3515 10.3515 10.3683 10.3683 k = 0.3548 0.2049 0.1449 ( 14959 PWs) bands (ev): -67.7835 -67.7835 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5064 -19.5064 -18.8963 -18.8963 -18.8963 -18.8963 -18.6049 -18.6049 -18.5769 -18.5769 -18.5681 -18.5681 -14.8796 -14.8796 -14.8602 -14.8602 -3.9344 -3.9344 -3.7183 -3.7183 -3.0002 -3.0002 -2.7014 -2.7014 -2.4951 -2.4951 -2.4024 -2.4024 -2.1424 -2.1424 -2.1242 -2.1242 -1.7370 -1.7370 -1.6206 -1.6206 -1.3622 -1.3622 -1.1219 -1.1219 -0.8741 -0.8741 -0.6913 -0.6913 -0.6213 -0.6213 0.2490 0.2490 0.2518 0.2518 0.2878 0.2878 0.4375 0.4375 0.5652 0.5652 0.6743 0.6743 0.9888 0.9888 1.0186 1.0186 1.0341 1.0341 5.5099 5.5099 5.5393 5.5393 5.5775 5.5775 8.7909 8.7909 8.7928 8.7928 9.5411 9.5411 10.4111 10.4111 10.4293 10.4293 k = 0.3710 0.2142 0.1514 ( 14956 PWs) bands (ev): -67.7834 -67.7834 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5056 -19.5056 -18.8964 -18.8964 -18.8964 -18.8964 -18.6053 -18.6053 -18.5771 -18.5771 -18.5680 -18.5680 -14.8792 -14.8792 -14.8617 -14.8617 -3.9203 -3.9203 -3.7222 -3.7222 -2.9870 -2.9870 -2.6623 -2.6623 -2.4977 -2.4977 -2.3997 -2.3997 -2.1444 -2.1444 -2.1286 -2.1286 -1.7556 -1.7556 -1.6359 -1.6359 -1.3672 -1.3672 -1.1282 -1.1282 -0.8895 -0.8895 -0.6971 -0.6971 -0.6280 -0.6280 0.2479 0.2479 0.2507 0.2507 0.2886 0.2886 0.4318 0.4318 0.5675 0.5675 0.6781 0.6781 0.9874 0.9874 1.0172 1.0172 1.0328 1.0328 5.5080 5.5080 5.5383 5.5383 5.5768 5.5768 8.7902 8.7902 8.7920 8.7920 9.5854 9.5854 10.4724 10.4724 10.4922 10.4922 k = 0.3871 0.2235 0.1580 ( 14968 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5049 -19.5049 -18.8965 -18.8965 -18.8965 -18.8965 -18.6057 -18.6057 -18.5773 -18.5773 -18.5679 -18.5679 -14.8786 -14.8786 -14.8632 -14.8632 -3.9068 -3.9068 -3.7264 -3.7264 -2.9748 -2.9748 -2.6241 -2.6241 -2.5000 -2.5000 -2.3963 -2.3963 -2.1465 -2.1465 -2.1331 -2.1331 -1.7820 -1.7820 -1.6457 -1.6457 -1.3696 -1.3696 -1.1336 -1.1336 -0.9043 -0.9043 -0.7021 -0.7021 -0.6342 -0.6342 0.2469 0.2469 0.2497 0.2497 0.2893 0.2893 0.4267 0.4267 0.5697 0.5697 0.6817 0.6817 0.9861 0.9861 1.0159 1.0159 1.0316 1.0316 5.5044 5.5044 5.5367 5.5367 5.5753 5.5753 8.7890 8.7890 8.7908 8.7908 9.6247 9.6247 10.5346 10.5346 10.5563 10.5563 k = 0.4032 0.2328 0.1646 ( 14968 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5042 -19.5042 -18.8966 -18.8966 -18.8966 -18.8966 -18.6061 -18.6061 -18.5775 -18.5775 -18.5679 -18.5679 -14.8780 -14.8780 -14.8646 -14.8646 -3.8941 -3.8941 -3.7308 -3.7308 -2.9636 -2.9636 -2.5878 -2.5878 -2.5020 -2.5020 -2.3915 -2.3915 -2.1487 -2.1487 -2.1377 -2.1377 -1.8133 -1.8133 -1.6513 -1.6513 -1.3700 -1.3700 -1.1381 -1.1381 -0.9182 -0.9182 -0.7064 -0.7064 -0.6399 -0.6399 0.2459 0.2459 0.2488 0.2488 0.2900 0.2900 0.4221 0.4221 0.5718 0.5718 0.6850 0.6850 0.9849 0.9849 1.0148 1.0148 1.0304 1.0304 5.5035 5.5035 5.5359 5.5359 5.5748 5.5748 8.7876 8.7876 8.7894 8.7894 9.6586 9.6586 10.5971 10.5971 10.6213 10.6213 k = 0.4194 0.2421 0.1712 ( 14980 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5037 -19.5037 -18.8967 -18.8967 -18.8967 -18.8967 -18.6064 -18.6064 -18.5776 -18.5776 -18.5678 -18.5678 -14.8774 -14.8774 -14.8660 -14.8660 -3.8823 -3.8823 -3.7352 -3.7352 -2.9537 -2.9537 -2.5547 -2.5547 -2.5037 -2.5037 -2.3848 -2.3848 -2.1510 -2.1510 -2.1422 -2.1422 -1.8469 -1.8469 -1.6543 -1.6543 -1.3692 -1.3692 -1.1417 -1.1417 -0.9308 -0.9308 -0.7100 -0.7100 -0.6449 -0.6449 0.2451 0.2451 0.2480 0.2480 0.2906 0.2906 0.4182 0.4182 0.5737 0.5737 0.6879 0.6879 0.9839 0.9839 1.0138 1.0138 1.0293 1.0293 5.5012 5.5012 5.5346 5.5346 5.5737 5.5737 8.7860 8.7860 8.7878 8.7878 9.6869 9.6869 10.6582 10.6582 10.6863 10.6863 k = 0.4355 0.2514 0.1778 ( 14980 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5032 -19.5032 -18.8968 -18.8968 -18.8967 -18.8967 -18.6067 -18.6067 -18.5777 -18.5777 -18.5678 -18.5678 -14.8768 -14.8768 -14.8672 -14.8672 -3.8719 -3.8719 -3.7397 -3.7397 -2.9453 -2.9453 -2.5264 -2.5264 -2.5050 -2.5050 -2.3757 -2.3757 -2.1534 -2.1534 -2.1462 -2.1462 -1.8800 -1.8800 -1.6560 -1.6560 -1.3676 -1.3676 -1.1446 -1.1446 -0.9417 -0.9417 -0.7130 -0.7130 -0.6492 -0.6492 0.2443 0.2443 0.2473 0.2473 0.2912 0.2912 0.4149 0.4149 0.5753 0.5753 0.6904 0.6904 0.9831 0.9831 1.0129 1.0129 1.0284 1.0284 5.5007 5.5007 5.5342 5.5342 5.5735 5.5735 8.7846 8.7846 8.7864 8.7864 9.7098 9.7098 10.7147 10.7147 10.7506 10.7506 k = 0.4516 0.2607 0.1844 ( 14983 PWs) bands (ev): -67.7842 -67.7842 -39.9787 -39.9787 -39.0185 -39.0185 -39.0183 -39.0183 -19.5028 -19.5028 -18.8968 -18.8968 -18.8968 -18.8968 -18.6069 -18.6069 -18.5778 -18.5778 -18.5677 -18.5677 -14.8761 -14.8761 -14.8684 -14.8684 -3.8630 -3.8630 -3.7437 -3.7437 -2.9386 -2.9386 -2.5060 -2.5060 -2.5046 -2.5046 -2.3643 -2.3643 -2.1557 -2.1557 -2.1495 -2.1495 -1.9103 -1.9103 -1.6568 -1.6568 -1.3658 -1.3658 -1.1468 -1.1468 -0.9506 -0.9506 -0.7152 -0.7152 -0.6526 -0.6526 0.2437 0.2437 0.2468 0.2468 0.2916 0.2916 0.4124 0.4124 0.5766 0.5766 0.6924 0.6924 0.9824 0.9824 1.0123 1.0123 1.0276 1.0276 5.4995 5.4995 5.5339 5.5339 5.5733 5.5733 8.7836 8.7836 8.7854 8.7854 9.7273 9.7273 10.7614 10.7614 10.8124 10.8124 k = 0.4677 0.2701 0.1910 ( 14974 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5025 -19.5025 -18.8968 -18.8968 -18.8968 -18.8968 -18.6071 -18.6071 -18.5779 -18.5779 -18.5677 -18.5677 -14.8754 -14.8754 -14.8694 -14.8694 -3.8561 -3.8561 -3.7471 -3.7471 -2.9336 -2.9336 -2.5067 -2.5067 -2.4897 -2.4897 -2.3520 -2.3520 -2.1579 -2.1579 -2.1520 -2.1520 -1.9348 -1.9348 -1.6572 -1.6572 -1.3641 -1.3641 -1.1482 -1.1482 -0.9572 -0.9572 -0.7169 -0.7169 -0.6551 -0.6551 0.2433 0.2433 0.2464 0.2464 0.2919 0.2919 0.4105 0.4105 0.5776 0.5776 0.6938 0.6938 0.9819 0.9819 1.0118 1.0118 1.0271 1.0271 5.5001 5.5001 5.5339 5.5339 5.5736 5.5736 8.7833 8.7833 8.7851 8.7851 9.7397 9.7397 10.7951 10.7951 10.8686 10.8686 k = 0.4839 0.2794 0.1975 ( 14980 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5024 -19.5024 -18.8969 -18.8969 -18.8968 -18.8968 -18.6072 -18.6072 -18.5779 -18.5779 -18.5677 -18.5677 -14.8749 -14.8749 -14.8701 -14.8701 -3.8517 -3.8517 -3.7494 -3.7494 -2.9306 -2.9306 -2.5072 -2.5072 -2.4814 -2.4814 -2.3422 -2.3422 -2.1596 -2.1596 -2.1535 -2.1535 -1.9513 -1.9513 -1.6575 -1.6575 -1.3631 -1.3631 -1.1491 -1.1491 -0.9613 -0.9613 -0.7178 -0.7178 -0.6566 -0.6566 0.2430 0.2430 0.2462 0.2462 0.2921 0.2921 0.4094 0.4094 0.5781 0.5781 0.6947 0.6947 0.9816 0.9816 1.0115 1.0115 1.0268 1.0268 5.4987 5.4987 5.5330 5.5330 5.5727 5.5727 8.7834 8.7834 8.7852 8.7852 9.7470 9.7470 10.8155 10.8155 10.9125 10.9125 k = 0.5000 0.2887 0.2041 ( 15004 PWs) bands (ev): -67.7847 -67.7847 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.5023 -19.5023 -18.8969 -18.8969 -18.8969 -18.8969 -18.6072 -18.6072 -18.5779 -18.5779 -18.5677 -18.5677 -14.8747 -14.8747 -14.8704 -14.8704 -3.8502 -3.8502 -3.7502 -3.7502 -2.9297 -2.9297 -2.5073 -2.5073 -2.4788 -2.4788 -2.3384 -2.3384 -2.1604 -2.1604 -2.1542 -2.1542 -1.9571 -1.9571 -1.6576 -1.6576 -1.3629 -1.3629 -1.1496 -1.1496 -0.9627 -0.9627 -0.7182 -0.7182 -0.6571 -0.6571 0.2430 0.2430 0.2461 0.2461 0.2921 0.2921 0.4090 0.4090 0.5783 0.5783 0.6950 0.6950 0.9815 0.9815 1.0114 1.0114 1.0266 1.0266 5.4981 5.4981 5.5309 5.5309 5.5708 5.5708 8.7820 8.7820 8.7837 8.7837 9.7494 9.7494 10.8224 10.8224 10.9302 10.9302 k = 0.5000 0.2887 0.2041 ( 15004 PWs) bands (ev): -67.7847 -67.7847 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.5023 -19.5023 -18.8969 -18.8969 -18.8969 -18.8969 -18.6072 -18.6072 -18.5779 -18.5779 -18.5677 -18.5677 -14.8747 -14.8747 -14.8704 -14.8704 -3.8502 -3.8502 -3.7502 -3.7502 -2.9297 -2.9297 -2.5073 -2.5073 -2.4788 -2.4788 -2.3384 -2.3384 -2.1604 -2.1604 -2.1542 -2.1542 -1.9571 -1.9571 -1.6576 -1.6576 -1.3629 -1.3629 -1.1496 -1.1496 -0.9627 -0.9627 -0.7182 -0.7182 -0.6571 -0.6571 0.2430 0.2430 0.2461 0.2461 0.2921 0.2921 0.4090 0.4090 0.5783 0.5783 0.6950 0.6950 0.9815 0.9815 1.0114 1.0114 1.0266 1.0266 5.4981 5.4981 5.5309 5.5309 5.5708 5.5708 8.7820 8.7820 8.7837 8.7837 9.7494 9.7494 10.8224 10.8224 10.9302 10.9302 k = 0.5057 0.2723 0.2134 ( 14974 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5023 -19.5023 -18.8969 -18.8969 -18.8969 -18.8969 -18.6072 -18.6072 -18.5779 -18.5779 -18.5677 -18.5677 -14.8747 -14.8747 -14.8704 -14.8704 -3.8499 -3.8499 -3.7501 -3.7501 -2.9288 -2.9288 -2.5085 -2.5085 -2.4776 -2.4776 -2.3384 -2.3384 -2.1599 -2.1599 -2.1537 -2.1537 -1.9568 -1.9568 -1.6574 -1.6574 -1.3634 -1.3634 -1.1508 -1.1508 -0.9623 -0.9623 -0.7184 -0.7184 -0.6575 -0.6575 0.2431 0.2431 0.2462 0.2462 0.2922 0.2922 0.4094 0.4094 0.5781 0.5781 0.6945 0.6945 0.9815 0.9815 1.0114 1.0114 1.0266 1.0266 5.4991 5.4991 5.5335 5.5335 5.5732 5.5732 8.7821 8.7821 8.7846 8.7846 9.7522 9.7522 10.8175 10.8175 10.9242 10.9242 k = 0.5114 0.2559 0.2227 ( 14983 PWs) bands (ev): -67.7842 -67.7842 -39.9787 -39.9787 -39.0185 -39.0185 -39.0183 -39.0183 -19.5022 -19.5022 -18.8969 -18.8969 -18.8968 -18.8968 -18.6071 -18.6071 -18.5780 -18.5780 -18.5678 -18.5678 -14.8747 -14.8747 -14.8705 -14.8705 -3.8490 -3.8490 -3.7500 -3.7500 -2.9264 -2.9264 -2.5116 -2.5116 -2.4747 -2.4747 -2.3384 -2.3384 -2.1590 -2.1590 -2.1531 -2.1531 -1.9563 -1.9563 -1.6571 -1.6571 -1.3659 -1.3659 -1.1552 -1.1552 -0.9612 -0.9612 -0.7192 -0.7192 -0.6586 -0.6586 0.2435 0.2435 0.2466 0.2466 0.2922 0.2922 0.4104 0.4104 0.5773 0.5773 0.6928 0.6928 0.9814 0.9814 1.0115 1.0115 1.0265 1.0265 5.4987 5.4987 5.5326 5.5326 5.5724 5.5724 8.7762 8.7762 8.7851 8.7851 9.7604 9.7604 10.8027 10.8027 10.9085 10.9085 k = 0.5170 0.2395 0.2320 ( 14989 PWs) bands (ev): -67.7843 -67.7843 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.5021 -19.5021 -18.8970 -18.8970 -18.8968 -18.8968 -18.6071 -18.6071 -18.5780 -18.5780 -18.5679 -18.5679 -14.8747 -14.8747 -14.8706 -14.8706 -3.8475 -3.8475 -3.7496 -3.7496 -2.9224 -2.9224 -2.5158 -2.5158 -2.4708 -2.4708 -2.3382 -2.3382 -2.1576 -2.1576 -2.1520 -2.1520 -1.9552 -1.9552 -1.6566 -1.6566 -1.3698 -1.3698 -1.1622 -1.1622 -0.9593 -0.9593 -0.7206 -0.7206 -0.6604 -0.6604 0.2440 0.2440 0.2475 0.2475 0.2922 0.2922 0.4121 0.4121 0.5760 0.5760 0.6902 0.6902 0.9814 0.9814 1.0117 1.0117 1.0264 1.0264 5.4983 5.4983 5.5319 5.5319 5.5720 5.5720 8.7665 8.7665 8.7863 8.7863 9.7737 9.7737 10.7783 10.7783 10.8893 10.8893 k = 0.5227 0.2231 0.2412 ( 14975 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5019 -19.5019 -18.8971 -18.8971 -18.8968 -18.8968 -18.6070 -18.6070 -18.5780 -18.5780 -18.5680 -18.5680 -14.8748 -14.8748 -14.8708 -14.8708 -3.8455 -3.8455 -3.7492 -3.7492 -2.9169 -2.9169 -2.5205 -2.5205 -2.4667 -2.4667 -2.3379 -2.3379 -2.1557 -2.1557 -2.1499 -2.1499 -1.9535 -1.9535 -1.6559 -1.6559 -1.3753 -1.3753 -1.1718 -1.1718 -0.9568 -0.9568 -0.7225 -0.7225 -0.6630 -0.6630 0.2443 0.2443 0.2489 0.2489 0.2922 0.2922 0.4144 0.4144 0.5742 0.5742 0.6866 0.6866 0.9813 0.9813 1.0119 1.0119 1.0262 1.0262 5.4990 5.4990 5.5324 5.5324 5.5727 5.5727 8.7554 8.7554 8.7886 8.7886 9.7919 9.7919 10.7467 10.7467 10.8696 10.8696 k = 0.5284 0.2067 0.2505 ( 14972 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5017 -19.5017 -18.8972 -18.8972 -18.8967 -18.8967 -18.6069 -18.6069 -18.5781 -18.5781 -18.5682 -18.5682 -14.8749 -14.8749 -14.8710 -14.8710 -3.8429 -3.8429 -3.7486 -3.7486 -2.9099 -2.9099 -2.5252 -2.5252 -2.4629 -2.4629 -2.3372 -2.3372 -2.1538 -2.1538 -2.1472 -2.1472 -1.9513 -1.9513 -1.6550 -1.6550 -1.3823 -1.3823 -1.1838 -1.1838 -0.9537 -0.9537 -0.7248 -0.7248 -0.6663 -0.6663 0.2446 0.2446 0.2509 0.2509 0.2922 0.2922 0.4174 0.4174 0.5720 0.5720 0.6823 0.6823 0.9812 0.9812 1.0121 1.0121 1.0260 1.0260 5.4991 5.4991 5.5318 5.5318 5.5726 5.5726 8.7411 8.7411 8.7908 8.7908 9.8143 9.8143 10.7114 10.7114 10.8488 10.8488 k = 0.5341 0.1903 0.2598 ( 14968 PWs) bands (ev): -67.7838 -67.7838 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5014 -19.5014 -18.8973 -18.8973 -18.8967 -18.8967 -18.6067 -18.6067 -18.5781 -18.5781 -18.5685 -18.5685 -14.8750 -14.8750 -14.8713 -14.8713 -3.8399 -3.8399 -3.7480 -3.7480 -2.9014 -2.9014 -2.5300 -2.5300 -2.4595 -2.4595 -2.3360 -2.3360 -2.1519 -2.1519 -2.1438 -2.1438 -1.9485 -1.9485 -1.6539 -1.6539 -1.3908 -1.3908 -1.1979 -1.1979 -0.9501 -0.9501 -0.7278 -0.7278 -0.6703 -0.6703 0.2448 0.2448 0.2532 0.2532 0.2922 0.2922 0.4209 0.4209 0.5692 0.5692 0.6774 0.6774 0.9809 0.9809 1.0124 1.0124 1.0258 1.0258 5.4991 5.4991 5.5311 5.5311 5.5724 5.5724 8.7251 8.7251 8.7935 8.7935 9.8405 9.8405 10.6749 10.6749 10.8265 10.8265 k = 0.5398 0.1739 0.2691 ( 14968 PWs) bands (ev): -67.7838 -67.7838 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5011 -19.5011 -18.8975 -18.8975 -18.8966 -18.8966 -18.6066 -18.6066 -18.5782 -18.5782 -18.5687 -18.5687 -14.8751 -14.8751 -14.8716 -14.8716 -3.8365 -3.8365 -3.7471 -3.7471 -2.8916 -2.8916 -2.5346 -2.5346 -2.4568 -2.4568 -2.3342 -2.3342 -2.1500 -2.1500 -2.1401 -2.1401 -1.9449 -1.9449 -1.6527 -1.6527 -1.4008 -1.4008 -1.2138 -1.2138 -0.9460 -0.9460 -0.7312 -0.7312 -0.6750 -0.6750 0.2449 0.2449 0.2559 0.2559 0.2921 0.2921 0.4249 0.4249 0.5659 0.5659 0.6720 0.6720 0.9806 0.9806 1.0126 1.0126 1.0255 1.0255 5.4989 5.4989 5.5302 5.5302 5.5722 5.5722 8.7059 8.7059 8.7971 8.7971 9.8698 9.8698 10.6390 10.6390 10.8032 10.8032 k = 0.5455 0.1575 0.2784 ( 14972 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5008 -19.5008 -18.8977 -18.8977 -18.8965 -18.8965 -18.6064 -18.6064 -18.5783 -18.5783 -18.5690 -18.5690 -14.8752 -14.8752 -14.8719 -14.8719 -3.8326 -3.8326 -3.7462 -3.7462 -2.8806 -2.8806 -2.5390 -2.5390 -2.4550 -2.4550 -2.3316 -2.3316 -2.1481 -2.1481 -2.1360 -2.1360 -1.9404 -1.9404 -1.6512 -1.6512 -1.4123 -1.4123 -1.2313 -1.2313 -0.9416 -0.9416 -0.7351 -0.7351 -0.6804 -0.6804 0.2449 0.2449 0.2587 0.2587 0.2919 0.2919 0.4292 0.4292 0.5622 0.5622 0.6665 0.6665 0.9803 0.9803 1.0129 1.0129 1.0253 1.0253 5.4982 5.4982 5.5288 5.5288 5.5715 5.5715 8.6855 8.6855 8.8012 8.8012 9.9017 9.9017 10.6049 10.6049 10.7791 10.7791 k = 0.5511 0.1411 0.2876 ( 14972 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5004 -19.5004 -18.8979 -18.8979 -18.8964 -18.8964 -18.6063 -18.6063 -18.5784 -18.5784 -18.5693 -18.5693 -14.8753 -14.8753 -14.8722 -14.8722 -3.8285 -3.8285 -3.7451 -3.7451 -2.8685 -2.8685 -2.5432 -2.5432 -2.4540 -2.4540 -2.3282 -2.3282 -2.1460 -2.1460 -2.1318 -2.1318 -1.9351 -1.9351 -1.6496 -1.6496 -1.4254 -1.4254 -1.2499 -1.2499 -0.9367 -0.9367 -0.7395 -0.7395 -0.6864 -0.6864 0.2448 0.2448 0.2617 0.2617 0.2917 0.2917 0.4338 0.4338 0.5581 0.5581 0.6611 0.6611 0.9798 0.9798 1.0130 1.0130 1.0251 1.0251 5.4974 5.4974 5.5276 5.5276 5.5712 5.5712 8.6650 8.6650 8.8053 8.8053 9.9356 9.9356 10.5732 10.5732 10.7545 10.7545 k = 0.5568 0.1247 0.2969 ( 14958 PWs) bands (ev): -67.7835 -67.7835 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.5000 -19.5000 -18.8981 -18.8981 -18.8963 -18.8963 -18.6061 -18.6061 -18.5785 -18.5785 -18.5697 -18.5697 -14.8754 -14.8754 -14.8726 -14.8726 -3.8242 -3.8242 -3.7439 -3.7439 -2.8553 -2.8553 -2.5471 -2.5471 -2.4540 -2.4540 -2.3238 -2.3238 -2.1437 -2.1437 -2.1275 -2.1275 -1.9287 -1.9287 -1.6478 -1.6478 -1.4400 -1.4400 -1.2690 -1.2690 -0.9315 -0.9315 -0.7444 -0.7444 -0.6931 -0.6931 0.2445 0.2445 0.2648 0.2648 0.2914 0.2914 0.4383 0.4383 0.5536 0.5536 0.6560 0.6560 0.9792 0.9792 1.0131 1.0131 1.0250 1.0250 5.4974 5.4974 5.5272 5.5272 5.5719 5.5719 8.6445 8.6445 8.8103 8.8103 9.9710 9.9710 10.5445 10.5445 10.7295 10.7295 k = 0.5625 0.1083 0.3062 ( 14959 PWs) bands (ev): -67.7836 -67.7836 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.4996 -19.4996 -18.8984 -18.8984 -18.8962 -18.8962 -18.6060 -18.6060 -18.5785 -18.5785 -18.5700 -18.5700 -14.8756 -14.8756 -14.8730 -14.8730 -3.8198 -3.8198 -3.7426 -3.7426 -2.8413 -2.8413 -2.5508 -2.5508 -2.4548 -2.4548 -2.3186 -2.3186 -2.1415 -2.1415 -2.1235 -2.1235 -1.9215 -1.9215 -1.6459 -1.6459 -1.4563 -1.4563 -1.2882 -1.2882 -0.9261 -0.9261 -0.7497 -0.7497 -0.7003 -0.7003 0.2440 0.2440 0.2678 0.2678 0.2911 0.2911 0.4426 0.4426 0.5490 0.5490 0.6514 0.6514 0.9785 0.9785 1.0131 1.0131 1.0249 1.0249 5.4961 5.4961 5.5258 5.5258 5.5717 5.5717 8.6231 8.6231 8.8152 8.8152 10.0071 10.0071 10.5189 10.5189 10.7041 10.7041 k = 0.5682 0.0919 0.3155 ( 14958 PWs) bands (ev): -67.7835 -67.7835 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.4992 -19.4992 -18.8986 -18.8986 -18.8961 -18.8961 -18.6058 -18.6058 -18.5786 -18.5786 -18.5704 -18.5704 -14.8757 -14.8757 -14.8734 -14.8734 -3.8153 -3.8153 -3.7412 -3.7412 -2.8267 -2.8267 -2.5544 -2.5544 -2.4565 -2.4565 -2.3124 -2.3124 -2.1391 -2.1391 -2.1197 -2.1197 -1.9135 -1.9135 -1.6438 -1.6438 -1.4744 -1.4744 -1.3071 -1.3071 -0.9203 -0.9203 -0.7554 -0.7554 -0.7079 -0.7079 0.2432 0.2432 0.2707 0.2707 0.2909 0.2909 0.4463 0.4463 0.5445 0.5445 0.6476 0.6476 0.9778 0.9778 1.0129 1.0129 1.0249 1.0249 5.4946 5.4946 5.5251 5.5251 5.5718 5.5718 8.6012 8.6012 8.8206 8.8206 10.0433 10.0433 10.4969 10.4969 10.6783 10.6783 k = 0.5739 0.0754 0.3247 ( 14964 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0184 -39.0184 -39.0182 -39.0182 -19.4987 -19.4987 -18.8988 -18.8988 -18.8960 -18.8960 -18.6057 -18.6057 -18.5787 -18.5787 -18.5707 -18.5707 -14.8759 -14.8759 -14.8737 -14.8737 -3.8108 -3.8108 -3.7397 -3.7397 -2.8116 -2.8116 -2.5577 -2.5577 -2.4589 -2.4589 -2.3054 -2.3054 -2.1368 -2.1368 -2.1163 -2.1163 -1.9048 -1.9048 -1.6417 -1.6417 -1.4942 -1.4942 -1.3251 -1.3251 -0.9144 -0.9144 -0.7615 -0.7615 -0.7160 -0.7160 0.2422 0.2422 0.2733 0.2733 0.2909 0.2909 0.4488 0.4488 0.5407 0.5407 0.6445 0.6445 0.9770 0.9770 1.0127 1.0127 1.0250 1.0250 5.4925 5.4925 5.5243 5.5243 5.5713 5.5713 8.5795 8.5795 8.8256 8.8256 10.0791 10.0791 10.4785 10.4785 10.6522 10.6522 k = 0.5795 0.0590 0.3340 ( 14968 PWs) bands (ev): -67.7838 -67.7838 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4983 -19.4983 -18.8991 -18.8991 -18.8958 -18.8958 -18.6056 -18.6056 -18.5788 -18.5788 -18.5710 -18.5710 -14.8761 -14.8761 -14.8741 -14.8741 -3.8065 -3.8065 -3.7381 -3.7381 -2.7963 -2.7963 -2.5609 -2.5609 -2.4618 -2.4618 -2.2977 -2.2977 -2.1343 -2.1343 -2.1130 -2.1130 -1.8957 -1.8957 -1.6395 -1.6395 -1.5155 -1.5155 -1.3417 -1.3417 -0.9083 -0.9083 -0.7678 -0.7678 -0.7243 -0.7243 0.2407 0.2407 0.2757 0.2757 0.2912 0.2912 0.4497 0.4497 0.5381 0.5381 0.6424 0.6424 0.9761 0.9761 1.0123 1.0123 1.0251 1.0251 5.4899 5.4899 5.5235 5.5235 5.5712 5.5712 8.5583 8.5583 8.8317 8.8317 10.1138 10.1138 10.4638 10.4638 10.6258 10.6258 k = 0.5852 0.0426 0.3433 ( 14965 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0184 -39.0184 -39.0182 -39.0182 -19.4979 -19.4979 -18.8994 -18.8994 -18.8957 -18.8957 -18.6055 -18.6055 -18.5788 -18.5788 -18.5713 -18.5713 -14.8763 -14.8763 -14.8744 -14.8744 -3.8024 -3.8024 -3.7364 -3.7364 -2.7809 -2.7809 -2.5639 -2.5639 -2.4651 -2.4651 -2.2892 -2.2892 -2.1319 -2.1319 -2.1099 -2.1099 -1.8865 -1.8865 -1.6374 -1.6374 -1.5379 -1.5379 -1.3566 -1.3566 -0.9021 -0.9021 -0.7745 -0.7745 -0.7327 -0.7327 0.2389 0.2389 0.2776 0.2776 0.2918 0.2918 0.4486 0.4486 0.5371 0.5371 0.6410 0.6410 0.9753 0.9753 1.0118 1.0118 1.0253 1.0253 5.4873 5.4873 5.5234 5.5234 5.5718 5.5718 8.5380 8.5380 8.8383 8.8383 10.1471 10.1471 10.4530 10.4530 10.5990 10.5990 k = 0.5909 0.0262 0.3526 ( 14977 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4975 -19.4975 -18.8996 -18.8996 -18.8956 -18.8956 -18.6054 -18.6054 -18.5789 -18.5789 -18.5716 -18.5716 -14.8765 -14.8765 -14.8747 -14.8747 -3.7986 -3.7986 -3.7348 -3.7348 -2.7658 -2.7658 -2.5669 -2.5669 -2.4688 -2.4688 -2.2802 -2.2802 -2.1297 -2.1297 -2.1069 -2.1069 -1.8777 -1.8777 -1.6357 -1.6357 -1.5606 -1.5606 -1.3696 -1.3696 -0.8959 -0.8959 -0.7812 -0.7812 -0.7412 -0.7412 0.2367 0.2367 0.2791 0.2791 0.2928 0.2928 0.4453 0.4453 0.5379 0.5379 0.6404 0.6404 0.9744 0.9744 1.0113 1.0113 1.0255 1.0255 5.4843 5.4843 5.5229 5.5229 5.5715 5.5715 8.5172 8.5172 8.8438 8.8438 10.1781 10.1781 10.4457 10.4457 10.5720 10.5720 k = 0.5966 0.0098 0.3619 ( 14977 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4972 -19.4972 -18.8999 -18.8999 -18.8954 -18.8954 -18.6053 -18.6053 -18.5789 -18.5789 -18.5719 -18.5719 -14.8768 -14.8768 -14.8749 -14.8749 -3.7951 -3.7951 -3.7331 -3.7331 -2.7512 -2.7512 -2.5699 -2.5699 -2.4727 -2.4727 -2.2707 -2.2707 -2.1276 -2.1276 -2.1035 -2.1035 -1.8699 -1.8699 -1.6351 -1.6351 -1.5818 -1.5818 -1.3806 -1.3806 -0.8897 -0.8897 -0.7881 -0.7881 -0.7495 -0.7495 0.2341 0.2341 0.2801 0.2801 0.2941 0.2941 0.4402 0.4402 0.5405 0.5405 0.6405 0.6405 0.9735 0.9735 1.0107 1.0107 1.0257 1.0257 5.4816 5.4816 5.5233 5.5233 5.5720 5.5720 8.4987 8.4987 8.8497 8.8497 10.2070 10.2070 10.4419 10.4419 10.5448 10.5448 k = 0.6023-0.0066 0.3711 ( 14982 PWs) bands (ev): -67.7842 -67.7842 -39.9787 -39.9787 -39.0185 -39.0185 -39.0183 -39.0183 -19.4968 -19.4968 -18.9001 -18.9001 -18.8953 -18.8953 -18.6053 -18.6053 -18.5789 -18.5789 -18.5722 -18.5722 -14.8771 -14.8771 -14.8750 -14.8750 -3.7921 -3.7921 -3.7315 -3.7315 -2.7374 -2.7374 -2.5728 -2.5728 -2.4766 -2.4766 -2.2609 -2.2609 -2.1260 -2.1260 -2.0996 -2.0996 -1.8642 -1.8642 -1.6375 -1.6375 -1.5986 -1.5986 -1.3896 -1.3896 -0.8837 -0.8837 -0.7948 -0.7948 -0.7574 -0.7574 0.2313 0.2313 0.2809 0.2809 0.2956 0.2956 0.4337 0.4337 0.5445 0.5445 0.6412 0.6412 0.9726 0.9726 1.0102 1.0102 1.0259 1.0259 5.4781 5.4781 5.5233 5.5233 5.5720 5.5720 8.4818 8.4818 8.8553 8.8553 10.2335 10.2335 10.4409 10.4409 10.5173 10.5173 k = 0.6080-0.0230 0.3804 ( 14970 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4965 -19.4965 -18.9003 -18.9003 -18.8951 -18.8951 -18.6053 -18.6053 -18.5789 -18.5789 -18.5724 -18.5724 -14.8774 -14.8774 -14.8750 -14.8750 -3.7897 -3.7897 -3.7300 -3.7300 -2.7248 -2.7248 -2.5757 -2.5757 -2.4804 -2.4804 -2.2511 -2.2511 -2.1246 -2.1246 -2.0951 -2.0951 -1.8614 -1.8614 -1.6450 -1.6450 -1.6071 -1.6071 -1.3966 -1.3966 -0.8780 -0.8780 -0.8011 -0.8011 -0.7649 -0.7649 0.2281 0.2281 0.2815 0.2815 0.2971 0.2971 0.4263 0.4263 0.5495 0.5495 0.6424 0.6424 0.9718 0.9718 1.0097 1.0097 1.0261 1.0261 5.4754 5.4754 5.5249 5.5249 5.5734 5.5734 8.4661 8.4661 8.8626 8.8626 10.2576 10.2576 10.4417 10.4417 10.4897 10.4897 k = 0.6136-0.0394 0.3897 ( 14976 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4963 -19.4963 -18.9005 -18.9005 -18.8950 -18.8950 -18.6053 -18.6053 -18.5789 -18.5789 -18.5726 -18.5726 -14.8777 -14.8777 -14.8750 -14.8750 -3.7879 -3.7879 -3.7285 -3.7285 -2.7137 -2.7137 -2.5785 -2.5785 -2.4840 -2.4840 -2.2418 -2.2418 -2.1239 -2.1239 -2.0902 -2.0902 -1.8626 -1.8626 -1.6549 -1.6549 -1.6089 -1.6089 -1.4019 -1.4019 -0.8731 -0.8731 -0.8067 -0.8067 -0.7717 -0.7717 0.2247 0.2247 0.2819 0.2819 0.2985 0.2985 0.4185 0.4185 0.5550 0.5550 0.6439 0.6439 0.9710 0.9710 1.0093 1.0093 1.0262 1.0262 5.4726 5.4726 5.5254 5.5254 5.5735 5.5735 8.4510 8.4510 8.8681 8.8681 10.2793 10.2793 10.4417 10.4417 10.4622 10.4622 k = 0.6193-0.0558 0.3990 ( 14975 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4961 -19.4961 -18.9007 -18.9007 -18.8948 -18.8948 -18.6053 -18.6053 -18.5788 -18.5788 -18.5727 -18.5727 -14.8781 -14.8781 -14.8749 -14.8749 -3.7868 -3.7868 -3.7272 -3.7272 -2.7045 -2.7045 -2.5811 -2.5811 -2.4874 -2.4874 -2.2335 -2.2335 -2.1236 -2.1236 -2.0849 -2.0849 -1.8678 -1.8678 -1.6621 -1.6621 -1.6076 -1.6076 -1.4054 -1.4054 -0.8692 -0.8692 -0.8110 -0.8110 -0.7778 -0.7778 0.2213 0.2213 0.2822 0.2822 0.2997 0.2997 0.4107 0.4107 0.5608 0.5608 0.6457 0.6457 0.9704 0.9704 1.0089 1.0089 1.0263 1.0263 5.4701 5.4701 5.5266 5.5266 5.5744 5.5744 8.4376 8.4376 8.8737 8.8737 10.2989 10.2989 10.4299 10.4299 10.4372 10.4372 k = 0.6250-0.0722 0.4082 ( 14957 PWs) bands (ev): -67.7835 -67.7835 -39.9786 -39.9786 -39.0184 -39.0184 -39.0182 -39.0182 -19.4960 -19.4960 -18.9009 -18.9009 -18.8947 -18.8947 -18.6053 -18.6053 -18.5788 -18.5788 -18.5728 -18.5728 -14.8784 -14.8784 -14.8747 -14.8747 -3.7864 -3.7864 -3.7259 -3.7259 -2.6977 -2.6977 -2.5831 -2.5831 -2.4904 -2.4904 -2.2267 -2.2267 -2.1233 -2.1233 -2.0801 -2.0801 -1.8757 -1.8757 -1.6646 -1.6646 -1.6051 -1.6051 -1.4071 -1.4071 -0.8667 -0.8667 -0.8137 -0.8137 -0.7829 -0.7829 0.2177 0.2177 0.2824 0.2824 0.3006 0.3006 0.4033 0.4033 0.5668 0.5668 0.6477 0.6477 0.9699 0.9699 1.0086 1.0086 1.0265 1.0265 5.4684 5.4684 5.5289 5.5289 5.5766 5.5766 8.4261 8.4261 8.8810 8.8810 10.3154 10.3154 10.4025 10.4025 10.4097 10.4097 k = 0.6250-0.0722 0.4082 ( 14957 PWs) bands (ev): -67.7835 -67.7835 -39.9786 -39.9786 -39.0184 -39.0184 -39.0182 -39.0182 -19.4960 -19.4960 -18.9009 -18.9009 -18.8947 -18.8947 -18.6053 -18.6053 -18.5788 -18.5788 -18.5728 -18.5728 -14.8784 -14.8784 -14.8747 -14.8747 -3.7864 -3.7864 -3.7259 -3.7259 -2.6977 -2.6977 -2.5831 -2.5831 -2.4904 -2.4904 -2.2267 -2.2267 -2.1233 -2.1233 -2.0801 -2.0801 -1.8757 -1.8757 -1.6646 -1.6646 -1.6051 -1.6051 -1.4071 -1.4071 -0.8667 -0.8667 -0.8137 -0.8137 -0.7829 -0.7829 0.2177 0.2177 0.2824 0.2824 0.3006 0.3006 0.4033 0.4033 0.5668 0.5668 0.6477 0.6477 0.9699 0.9699 1.0086 1.0086 1.0265 1.0265 5.4684 5.4684 5.5289 5.5289 5.5766 5.5766 8.4261 8.4261 8.8810 8.8810 10.3154 10.3154 10.4025 10.4025 10.4097 10.4097 k = 0.6154-0.0666 0.4240 ( 14980 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0185 -39.0185 -39.0183 -39.0183 -19.4960 -19.4960 -18.9009 -18.9009 -18.8947 -18.8947 -18.6053 -18.6053 -18.5788 -18.5788 -18.5729 -18.5729 -14.8784 -14.8784 -14.8747 -14.8747 -3.7864 -3.7864 -3.7258 -3.7258 -2.6974 -2.6974 -2.5831 -2.5831 -2.4907 -2.4907 -2.2266 -2.2266 -2.1234 -2.1234 -2.0801 -2.0801 -1.8754 -1.8754 -1.6653 -1.6653 -1.6050 -1.6050 -1.4079 -1.4079 -0.8664 -0.8664 -0.8138 -0.8138 -0.7832 -0.7832 0.2178 0.2178 0.2815 0.2815 0.3013 0.3013 0.4041 0.4041 0.5666 0.5666 0.6473 0.6473 0.9698 0.9698 1.0087 1.0087 1.0264 1.0264 5.4679 5.4679 5.5273 5.5273 5.5751 5.5751 8.4255 8.4255 8.8783 8.8783 10.3160 10.3160 10.3753 10.3753 10.4408 10.4408 k = 0.6058-0.0611 0.4397 ( 14990 PWs) bands (ev): -67.7844 -67.7844 -39.9788 -39.9788 -39.0185 -39.0185 -39.0183 -39.0183 -19.4960 -19.4960 -18.9009 -18.9009 -18.8947 -18.8947 -18.6053 -18.6053 -18.5788 -18.5788 -18.5729 -18.5729 -14.8784 -14.8784 -14.8748 -14.8748 -3.7862 -3.7862 -3.7256 -3.7256 -2.6963 -2.6963 -2.5828 -2.5828 -2.4918 -2.4918 -2.2264 -2.2264 -2.1231 -2.1231 -2.0799 -2.0799 -1.8742 -1.8742 -1.6671 -1.6671 -1.6046 -1.6046 -1.4099 -1.4099 -0.8656 -0.8656 -0.8141 -0.8141 -0.7840 -0.7840 0.2180 0.2180 0.2793 0.2793 0.3032 0.3032 0.4062 0.4062 0.5659 0.5659 0.6461 0.6461 0.9698 0.9698 1.0089 1.0089 1.0262 1.0262 5.4677 5.4677 5.5260 5.5260 5.5743 5.5743 8.4263 8.4263 8.8764 8.8764 10.3182 10.3182 10.3488 10.3488 10.4669 10.4669 k = 0.5962-0.0555 0.4554 ( 14983 PWs) bands (ev): -67.7842 -67.7842 -39.9787 -39.9787 -39.0185 -39.0185 -39.0183 -39.0183 -19.4959 -19.4959 -18.9008 -18.9008 -18.8948 -18.8948 -18.6053 -18.6053 -18.5787 -18.5787 -18.5730 -18.5730 -14.8784 -14.8784 -14.8748 -14.8748 -3.7860 -3.7860 -3.7251 -3.7251 -2.6945 -2.6945 -2.5823 -2.5823 -2.4934 -2.4934 -2.2259 -2.2259 -2.1221 -2.1221 -2.0794 -2.0794 -1.8720 -1.8720 -1.6702 -1.6702 -1.6040 -1.6040 -1.4130 -1.4130 -0.8643 -0.8643 -0.8147 -0.8147 -0.7853 -0.7853 0.2184 0.2184 0.2762 0.2762 0.3057 0.3057 0.4097 0.4097 0.5646 0.5646 0.6442 0.6442 0.9697 0.9697 1.0092 1.0092 1.0258 1.0258 5.4686 5.4686 5.5251 5.5251 5.5746 5.5746 8.4278 8.4278 8.8759 8.8759 10.3214 10.3214 10.3266 10.3266 10.4654 10.4654 k = 0.5865-0.0500 0.4711 ( 14992 PWs) bands (ev): -67.7845 -67.7845 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4959 -19.4959 -18.9008 -18.9008 -18.8948 -18.8948 -18.6053 -18.6053 -18.5786 -18.5786 -18.5731 -18.5731 -14.8783 -14.8783 -14.8749 -14.8749 -3.7856 -3.7856 -3.7246 -3.7246 -2.6920 -2.6920 -2.5817 -2.5817 -2.4956 -2.4956 -2.2254 -2.2254 -2.1211 -2.1211 -2.0790 -2.0790 -1.8690 -1.8690 -1.6746 -1.6746 -1.6032 -1.6032 -1.4171 -1.4171 -0.8625 -0.8625 -0.8154 -0.8154 -0.7871 -0.7871 0.2189 0.2189 0.2728 0.2728 0.3084 0.3084 0.4144 0.4144 0.5628 0.5628 0.6417 0.6417 0.9696 0.9696 1.0097 1.0097 1.0254 1.0254 5.4689 5.4689 5.5234 5.5234 5.5746 5.5746 8.4292 8.4292 8.8722 8.8722 10.3075 10.3075 10.3264 10.3264 10.4627 10.4627 k = 0.5769-0.0444 0.4868 ( 14990 PWs) bands (ev): -67.7844 -67.7844 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4958 -19.4958 -18.9008 -18.9008 -18.8949 -18.8949 -18.6052 -18.6052 -18.5785 -18.5785 -18.5733 -18.5733 -14.8783 -14.8783 -14.8751 -14.8751 -3.7852 -3.7852 -3.7239 -3.7239 -2.6891 -2.6891 -2.5809 -2.5809 -2.4983 -2.4983 -2.2246 -2.2246 -2.1197 -2.1197 -2.0785 -2.0785 -1.8648 -1.8648 -1.6803 -1.6803 -1.6024 -1.6024 -1.4219 -1.4219 -0.8602 -0.8602 -0.8163 -0.8163 -0.7894 -0.7894 0.2197 0.2197 0.2692 0.2692 0.3111 0.3111 0.4202 0.4202 0.5603 0.5603 0.6389 0.6389 0.9694 0.9694 1.0102 1.0102 1.0248 1.0248 5.4704 5.4704 5.5216 5.5216 5.5746 5.5746 8.4312 8.4312 8.8701 8.8701 10.2929 10.2929 10.3316 10.3316 10.4595 10.4595 k = 0.5673-0.0389 0.5025 ( 14990 PWs) bands (ev): -67.7844 -67.7844 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4957 -19.4957 -18.9007 -18.9007 -18.8949 -18.8949 -18.6052 -18.6052 -18.5784 -18.5784 -18.5734 -18.5734 -14.8782 -14.8782 -14.8752 -14.8752 -3.7847 -3.7847 -3.7232 -3.7232 -2.6857 -2.6857 -2.5799 -2.5799 -2.5015 -2.5015 -2.2238 -2.2238 -2.1182 -2.1182 -2.0781 -2.0781 -1.8593 -1.8593 -1.6875 -1.6875 -1.6015 -1.6015 -1.4273 -1.4273 -0.8574 -0.8574 -0.8174 -0.8174 -0.7922 -0.7922 0.2207 0.2207 0.2655 0.2655 0.3136 0.3136 0.4271 0.4271 0.5569 0.5569 0.6358 0.6358 0.9693 0.9693 1.0108 1.0108 1.0242 1.0242 5.4726 5.4726 5.5190 5.5190 5.5745 5.5745 8.4337 8.4337 8.8669 8.8669 10.2821 10.2821 10.3369 10.3369 10.4561 10.4561 k = 0.5577-0.0333 0.5182 ( 14993 PWs) bands (ev): -67.7845 -67.7845 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4957 -19.4957 -18.9007 -18.9007 -18.8950 -18.8950 -18.6052 -18.6052 -18.5783 -18.5783 -18.5736 -18.5736 -14.8781 -14.8781 -14.8754 -14.8754 -3.7841 -3.7841 -3.7225 -3.7225 -2.6820 -2.6820 -2.5787 -2.5787 -2.5048 -2.5048 -2.2228 -2.2228 -2.1166 -2.1166 -2.0778 -2.0778 -1.8526 -1.8526 -1.6962 -1.6962 -1.6006 -1.6006 -1.4327 -1.4327 -0.8541 -0.8541 -0.8186 -0.8186 -0.7954 -0.7954 0.2220 0.2220 0.2618 0.2618 0.3159 0.3159 0.4347 0.4347 0.5527 0.5527 0.6329 0.6329 0.9691 0.9691 1.0115 1.0115 1.0235 1.0235 5.4742 5.4742 5.5164 5.5164 5.5749 5.5749 8.4358 8.4358 8.8633 8.8633 10.2751 10.2751 10.3414 10.3414 10.4528 10.4528 k = 0.5481-0.0278 0.5339 ( 14985 PWs) bands (ev): -67.7843 -67.7843 -39.9787 -39.9787 -39.0185 -39.0185 -39.0183 -39.0183 -19.4956 -19.4956 -18.9006 -18.9006 -18.8951 -18.8951 -18.6052 -18.6052 -18.5782 -18.5782 -18.5738 -18.5738 -14.8780 -14.8780 -14.8756 -14.8756 -3.7835 -3.7835 -3.7218 -3.7218 -2.6783 -2.6783 -2.5774 -2.5774 -2.5083 -2.5083 -2.2218 -2.2218 -2.1149 -2.1149 -2.0774 -2.0774 -1.8445 -1.8445 -1.7064 -1.7064 -1.5998 -1.5998 -1.4379 -1.4379 -0.8504 -0.8504 -0.8198 -0.8198 -0.7991 -0.7991 0.2235 0.2235 0.2581 0.2581 0.3180 0.3180 0.4429 0.4429 0.5475 0.5475 0.6302 0.6302 0.9690 0.9690 1.0122 1.0122 1.0228 1.0228 5.4764 5.4764 5.5146 5.5146 5.5750 5.5750 8.4384 8.4384 8.8612 8.8612 10.2718 10.2718 10.3442 10.3442 10.4506 10.4506 k = 0.5385-0.0222 0.5496 ( 14988 PWs) bands (ev): -67.7843 -67.7843 -39.9788 -39.9788 -39.0185 -39.0185 -39.0183 -39.0183 -19.4955 -19.4955 -18.9006 -18.9006 -18.8951 -18.8951 -18.6051 -18.6051 -18.5781 -18.5781 -18.5740 -18.5740 -14.8778 -14.8778 -14.8759 -14.8759 -3.7828 -3.7828 -3.7212 -3.7212 -2.6747 -2.6747 -2.5762 -2.5762 -2.5117 -2.5117 -2.2208 -2.2208 -2.1134 -2.1134 -2.0771 -2.0771 -1.8350 -1.8350 -1.7182 -1.7182 -1.5992 -1.5992 -1.4426 -1.4426 -0.8463 -0.8463 -0.8210 -0.8210 -0.8031 -0.8031 0.2254 0.2254 0.2546 0.2546 0.3197 0.3197 0.4515 0.4515 0.5414 0.5414 0.6279 0.6279 0.9688 0.9688 1.0128 1.0128 1.0220 1.0220 5.4779 5.4779 5.5122 5.5122 5.5749 5.5749 8.4403 8.4403 8.8583 8.8583 10.2721 10.2721 10.3440 10.3440 10.4497 10.4497 k = 0.5288-0.0167 0.5653 ( 14989 PWs) bands (ev): -67.7844 -67.7844 -39.9788 -39.9788 -39.0185 -39.0185 -39.0183 -39.0183 -19.4955 -19.4955 -18.9006 -18.9006 -18.8952 -18.8952 -18.6051 -18.6051 -18.5780 -18.5780 -18.5741 -18.5741 -14.8777 -14.8777 -14.8761 -14.8761 -3.7822 -3.7822 -3.7206 -3.7206 -2.6714 -2.6714 -2.5750 -2.5750 -2.5147 -2.5147 -2.2198 -2.2198 -2.1122 -2.1122 -2.0768 -2.0768 -1.8243 -1.8243 -1.7312 -1.7312 -1.5987 -1.5987 -1.4465 -1.4465 -0.8420 -0.8420 -0.8221 -0.8221 -0.8073 -0.8073 0.2274 0.2274 0.2513 0.2513 0.3211 0.3211 0.4600 0.4600 0.5348 0.5348 0.6261 0.6261 0.9687 0.9687 1.0135 1.0135 1.0213 1.0213 5.4797 5.4797 5.5097 5.5097 5.5749 5.5749 8.4421 8.4421 8.8559 8.8559 10.2760 10.2760 10.3404 10.3404 10.4502 10.4502 k = 0.5192-0.0111 0.5810 ( 14979 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9005 -18.9005 -18.8952 -18.8952 -18.6051 -18.6051 -18.5779 -18.5779 -18.5743 -18.5743 -14.8775 -14.8775 -14.8764 -14.8764 -3.7817 -3.7817 -3.7202 -3.7202 -2.6687 -2.6687 -2.5741 -2.5741 -2.5170 -2.5170 -2.2190 -2.2190 -2.1112 -2.1112 -2.0762 -2.0762 -1.8127 -1.8127 -1.7449 -1.7449 -1.5983 -1.5983 -1.4494 -1.4494 -0.8377 -0.8377 -0.8228 -0.8228 -0.8118 -0.8118 0.2294 0.2294 0.2484 0.2484 0.3222 0.3222 0.4679 0.4679 0.5281 0.5281 0.6249 0.6249 0.9686 0.9686 1.0140 1.0140 1.0208 1.0208 5.4817 5.4817 5.5084 5.5084 5.5751 5.5751 8.4440 8.4440 8.8550 8.8550 10.2833 10.2833 10.3330 10.3330 10.4520 10.4520 k = 0.5096-0.0056 0.5967 ( 14996 PWs) bands (ev): -67.7845 -67.7845 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4954 -19.4954 -18.9005 -18.9005 -18.8953 -18.8953 -18.6051 -18.6051 -18.5779 -18.5779 -18.5743 -18.5743 -14.8772 -14.8772 -14.8767 -14.8767 -3.7814 -3.7814 -3.7200 -3.7200 -2.6669 -2.6669 -2.5736 -2.5736 -2.5186 -2.5186 -2.2184 -2.2184 -2.1108 -2.1108 -2.0759 -2.0759 -1.8015 -1.8015 -1.7580 -1.7580 -1.5981 -1.5981 -1.4512 -1.4512 -0.8342 -0.8342 -0.8226 -0.8226 -0.8162 -0.8162 0.2311 0.2311 0.2462 0.2462 0.3228 0.3228 0.4740 0.4740 0.5227 0.5227 0.6242 0.6242 0.9686 0.9686 1.0143 1.0143 1.0204 1.0204 5.4814 5.4814 5.5061 5.5061 5.5745 5.5745 8.4443 8.4443 8.8526 8.8526 10.2939 10.2939 10.3219 10.3219 10.4534 10.4534 k = 0.5000-0.0000 0.6124 ( 14964 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9005 -18.9005 -18.8953 -18.8953 -18.6051 -18.6051 -18.5778 -18.5778 -18.5744 -18.5744 -14.8770 -14.8770 -14.8769 -14.8769 -3.7812 -3.7812 -3.7199 -3.7199 -2.6662 -2.6662 -2.5734 -2.5734 -2.5190 -2.5190 -2.2181 -2.2181 -2.1104 -2.1104 -2.0755 -2.0755 -1.7952 -1.7952 -1.7647 -1.7647 -1.5980 -1.5980 -1.4517 -1.4517 -0.8327 -0.8327 -0.8207 -0.8207 -0.8197 -0.8197 0.2318 0.2318 0.2454 0.2454 0.3230 0.3230 0.4765 0.4765 0.5204 0.5204 0.6240 0.6240 0.9685 0.9685 1.0145 1.0145 1.0202 1.0202 5.4837 5.4837 5.5075 5.5075 5.5760 5.5760 8.4462 8.4462 8.8547 8.8547 10.3072 10.3072 10.3086 10.3086 10.4548 10.4548 k = 0.5000-0.0000 0.6124 ( 14964 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9005 -18.9005 -18.8953 -18.8953 -18.6051 -18.6051 -18.5778 -18.5778 -18.5744 -18.5744 -14.8770 -14.8770 -14.8769 -14.8769 -3.7812 -3.7812 -3.7199 -3.7199 -2.6662 -2.6662 -2.5734 -2.5734 -2.5190 -2.5190 -2.2181 -2.2181 -2.1104 -2.1104 -2.0755 -2.0755 -1.7952 -1.7952 -1.7647 -1.7647 -1.5980 -1.5980 -1.4517 -1.4517 -0.8327 -0.8327 -0.8207 -0.8207 -0.8197 -0.8197 0.2318 0.2318 0.2454 0.2454 0.3230 0.3230 0.4765 0.4765 0.5204 0.5204 0.6240 0.6240 0.9685 0.9685 1.0145 1.0145 1.0202 1.0202 5.4837 5.4837 5.5075 5.5075 5.5760 5.5760 8.4462 8.4462 8.8547 8.8547 10.3072 10.3072 10.3086 10.3086 10.4548 10.4548 k = 0.5000 0.0115 0.5960 ( 15000 PWs) bands (ev): -67.7846 -67.7846 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4954 -19.4954 -18.9005 -18.9005 -18.8953 -18.8953 -18.6051 -18.6051 -18.5779 -18.5779 -18.5743 -18.5743 -14.8769 -14.8769 -14.8769 -14.8769 -3.7814 -3.7814 -3.7201 -3.7201 -2.6679 -2.6679 -2.5734 -2.5734 -2.5181 -2.5181 -2.2192 -2.2192 -2.1109 -2.1109 -2.0764 -2.0764 -1.8008 -1.8008 -1.7574 -1.7574 -1.5984 -1.5984 -1.4510 -1.4510 -0.8354 -0.8354 -0.8233 -0.8233 -0.8136 -0.8136 0.2320 0.2320 0.2456 0.2456 0.3228 0.3228 0.4764 0.4764 0.5204 0.5204 0.6240 0.6240 0.9686 0.9686 1.0145 1.0145 1.0203 1.0203 5.4817 5.4817 5.5056 5.5056 5.5743 5.5743 8.4447 8.4447 8.8523 8.8523 10.3068 10.3068 10.3091 10.3091 10.4535 10.4535 k = 0.5000 0.0231 0.5797 ( 14996 PWs) bands (ev): -67.7845 -67.7845 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.4955 -19.4955 -18.9005 -18.9005 -18.8953 -18.8953 -18.6051 -18.6051 -18.5779 -18.5779 -18.5742 -18.5742 -14.8769 -14.8769 -14.8768 -14.8768 -3.7820 -3.7820 -3.7208 -3.7208 -2.6725 -2.6725 -2.5732 -2.5732 -2.5153 -2.5153 -2.2222 -2.2222 -2.1113 -2.1113 -2.0785 -2.0785 -1.8107 -1.8107 -1.7416 -1.7416 -1.5993 -1.5993 -1.4486 -1.4486 -0.8417 -0.8417 -0.8223 -0.8223 -0.8059 -0.8059 0.2326 0.2326 0.2462 0.2462 0.3220 0.3220 0.4764 0.4764 0.5204 0.5204 0.6240 0.6240 0.9689 0.9689 1.0145 1.0145 1.0204 1.0204 5.4822 5.4822 5.5060 5.5060 5.5742 5.5742 8.4487 8.4487 8.8513 8.8513 10.3044 10.3044 10.3120 10.3120 10.4531 10.4531 k = 0.5000 0.0346 0.5634 ( 14986 PWs) bands (ev): -67.7843 -67.7843 -39.9787 -39.9787 -39.0185 -39.0185 -39.0183 -39.0183 -19.4956 -19.4956 -18.9004 -18.9004 -18.8953 -18.8953 -18.6051 -18.6051 -18.5780 -18.5780 -18.5740 -18.5740 -14.8769 -14.8769 -14.8767 -14.8767 -3.7830 -3.7830 -3.7218 -3.7218 -2.6799 -2.6799 -2.5728 -2.5728 -2.5110 -2.5110 -2.2271 -2.2271 -2.1120 -2.1120 -2.0816 -2.0816 -1.8207 -1.8207 -1.7225 -1.7225 -1.6007 -1.6007 -1.4446 -1.4446 -0.8490 -0.8490 -0.8194 -0.8194 -0.7976 -0.7976 0.2336 0.2336 0.2472 0.2472 0.3207 0.3207 0.4763 0.4763 0.5205 0.5205 0.6241 0.6241 0.9692 0.9692 1.0145 1.0145 1.0206 1.0206 5.4835 5.4835 5.5071 5.5071 5.5745 5.5745 8.4541 8.4541 8.8507 8.8507 10.2995 10.2995 10.3171 10.3171 10.4527 10.4527 k = 0.5000 0.0462 0.5471 ( 14984 PWs) bands (ev): -67.7842 -67.7842 -39.9787 -39.9787 -39.0185 -39.0185 -39.0183 -39.0183 -19.4958 -19.4958 -18.9003 -18.9003 -18.8954 -18.8954 -18.6051 -18.6051 -18.5782 -18.5782 -18.5737 -18.5737 -14.8768 -14.8768 -14.8765 -14.8765 -3.7844 -3.7844 -3.7232 -3.7232 -2.6896 -2.6896 -2.5722 -2.5722 -2.5057 -2.5057 -2.2336 -2.2336 -2.1132 -2.1132 -2.0853 -2.0853 -1.8304 -1.8304 -1.7015 -1.7015 -1.6022 -1.6022 -1.4389 -1.4389 -0.8565 -0.8565 -0.8151 -0.8151 -0.7891 -0.7891 0.2348 0.2348 0.2487 0.2487 0.3189 0.3189 0.4760 0.4760 0.5207 0.5207 0.6243 0.6243 0.9697 0.9697 1.0145 1.0145 1.0208 1.0208 5.4842 5.4842 5.5077 5.5077 5.5741 5.5741 8.4614 8.4614 8.8494 8.8494 10.2914 10.2914 10.3243 10.3243 10.4536 10.4536 k = 0.5000 0.0577 0.5307 ( 14968 PWs) bands (ev): -67.7838 -67.7838 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4960 -19.4960 -18.9002 -18.9002 -18.8954 -18.8954 -18.6051 -18.6051 -18.5783 -18.5783 -18.5734 -18.5734 -14.8767 -14.8767 -14.8763 -14.8763 -3.7862 -3.7862 -3.7248 -3.7248 -2.7012 -2.7012 -2.5713 -2.5713 -2.4998 -2.4998 -2.2413 -2.2413 -2.1147 -2.1147 -2.0892 -2.0892 -1.8397 -1.8397 -1.6800 -1.6800 -1.6029 -1.6029 -1.4315 -1.4315 -0.8639 -0.8639 -0.8098 -0.8098 -0.7804 -0.7804 0.2361 0.2361 0.2507 0.2507 0.3167 0.3167 0.4754 0.4754 0.5212 0.5212 0.6247 0.6247 0.9704 0.9704 1.0145 1.0145 1.0211 1.0211 5.4859 5.4859 5.5093 5.5093 5.5746 5.5746 8.4715 8.4715 8.8483 8.8483 10.2794 10.2794 10.3335 10.3335 10.4569 10.4569 k = 0.5000 0.0693 0.5144 ( 14972 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4963 -19.4963 -18.9000 -18.9000 -18.8955 -18.8955 -18.6052 -18.6052 -18.5784 -18.5784 -18.5731 -18.5731 -14.8766 -14.8766 -14.8761 -14.8761 -3.7885 -3.7885 -3.7267 -3.7267 -2.7143 -2.7143 -2.5702 -2.5702 -2.4936 -2.4936 -2.2500 -2.2500 -2.1169 -2.1169 -2.0932 -2.0932 -1.8489 -1.8489 -1.6599 -1.6599 -1.6014 -1.6014 -1.4226 -1.4226 -0.8714 -0.8714 -0.8038 -0.8038 -0.7715 -0.7715 0.2373 0.2373 0.2532 0.2532 0.3141 0.3141 0.4744 0.4744 0.5221 0.5221 0.6253 0.6253 0.9711 0.9711 1.0145 1.0145 1.0215 1.0215 5.4869 5.4869 5.5100 5.5100 5.5735 5.5735 8.4824 8.4824 8.8453 8.8453 10.2629 10.2629 10.3449 10.3449 10.4628 10.4628 k = 0.5000 0.0808 0.4981 ( 14972 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4966 -19.4966 -18.8999 -18.8999 -18.8956 -18.8956 -18.6052 -18.6052 -18.5785 -18.5785 -18.5728 -18.5728 -14.8765 -14.8765 -14.8758 -14.8758 -3.7911 -3.7911 -3.7287 -3.7287 -2.7286 -2.7286 -2.5688 -2.5688 -2.4873 -2.4873 -2.2592 -2.2592 -2.1195 -2.1195 -2.0970 -2.0970 -1.8582 -1.8582 -1.6450 -1.6450 -1.5944 -1.5944 -1.4119 -1.4119 -0.8787 -0.8787 -0.7973 -0.7973 -0.7625 -0.7625 0.2385 0.2385 0.2559 0.2559 0.3112 0.3112 0.4728 0.4728 0.5235 0.5235 0.6263 0.6263 0.9720 0.9720 1.0145 1.0145 1.0218 1.0218 5.4884 5.4884 5.5113 5.5113 5.5726 5.5726 8.4951 8.4951 8.8422 8.8422 10.2419 10.2419 10.3583 10.3583 10.4720 10.4720 k = 0.5000 0.0924 0.4817 ( 14966 PWs) bands (ev): -67.7838 -67.7838 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4970 -19.4970 -18.8997 -18.8997 -18.8956 -18.8956 -18.6052 -18.6052 -18.5786 -18.5786 -18.5724 -18.5724 -14.8764 -14.8764 -14.8754 -14.8754 -3.7942 -3.7942 -3.7308 -3.7308 -2.7437 -2.7437 -2.5671 -2.5671 -2.4812 -2.4812 -2.2687 -2.2687 -2.1223 -2.1223 -2.1006 -2.1006 -1.8675 -1.8675 -1.6379 -1.6379 -1.5794 -1.5794 -1.3995 -1.3995 -0.8858 -0.8858 -0.7904 -0.7904 -0.7535 -0.7535 0.2395 0.2395 0.2588 0.2588 0.3080 0.3080 0.4706 0.4706 0.5255 0.5255 0.6278 0.6278 0.9729 0.9729 1.0145 1.0145 1.0222 1.0222 5.4903 5.4903 5.5132 5.5132 5.5723 5.5723 8.5098 8.5098 8.8385 8.8385 10.2169 10.2169 10.3738 10.3738 10.4844 10.4844 k = 0.5000 0.1039 0.4654 ( 14962 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0181 -39.0181 -19.4974 -19.4974 -18.8995 -18.8995 -18.8957 -18.8957 -18.6053 -18.6053 -18.5786 -18.5786 -18.5720 -18.5720 -14.8763 -14.8763 -14.8751 -14.8751 -3.7977 -3.7977 -3.7329 -3.7329 -2.7595 -2.7595 -2.5651 -2.5651 -2.4755 -2.4755 -2.2781 -2.2781 -2.1254 -2.1254 -2.1041 -2.1041 -1.8768 -1.8768 -1.6365 -1.6365 -1.5592 -1.5592 -1.3853 -1.3853 -0.8929 -0.8929 -0.7834 -0.7834 -0.7444 -0.7444 0.2405 0.2405 0.2617 0.2617 0.3048 0.3048 0.4677 0.4677 0.5282 0.5282 0.6297 0.6297 0.9738 0.9738 1.0144 1.0144 1.0225 1.0225 5.4922 5.4922 5.5150 5.5150 5.5724 5.5724 8.5253 8.5253 8.8349 8.8349 10.1882 10.1882 10.3914 10.3914 10.4998 10.4998 k = 0.5000 0.1155 0.4491 ( 14972 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4978 -19.4978 -18.8993 -18.8993 -18.8958 -18.8958 -18.6054 -18.6054 -18.5787 -18.5787 -18.5716 -18.5716 -14.8762 -14.8762 -14.8747 -14.8747 -3.8015 -3.8015 -3.7350 -3.7350 -2.7756 -2.7756 -2.5629 -2.5629 -2.4702 -2.4702 -2.2872 -2.2872 -2.1285 -2.1285 -2.1076 -2.1076 -1.8863 -1.8863 -1.6374 -1.6374 -1.5375 -1.5375 -1.3695 -1.3695 -0.8997 -0.8997 -0.7764 -0.7764 -0.7354 -0.7354 0.2413 0.2413 0.2642 0.2642 0.3015 0.3015 0.4641 0.4641 0.5316 0.5316 0.6323 0.6323 0.9748 0.9748 1.0144 1.0144 1.0229 1.0229 5.4927 5.4927 5.5159 5.5159 5.5717 5.5717 8.5418 8.5418 8.8306 8.8306 10.1566 10.1566 10.4111 10.4111 10.5181 10.5181 k = 0.5000 0.1270 0.4327 ( 14964 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4982 -19.4982 -18.8990 -18.8990 -18.8959 -18.8959 -18.6055 -18.6055 -18.5787 -18.5787 -18.5713 -18.5713 -14.8760 -14.8760 -14.8743 -14.8743 -3.8056 -3.8056 -3.7370 -3.7370 -2.7917 -2.7917 -2.5604 -2.5604 -2.4655 -2.4655 -2.2958 -2.2958 -2.1315 -2.1315 -2.1111 -2.1111 -1.8956 -1.8956 -1.6392 -1.6392 -1.5159 -1.5159 -1.3521 -1.3521 -0.9064 -0.9064 -0.7696 -0.7696 -0.7265 -0.7265 0.2421 0.2421 0.2661 0.2661 0.2985 0.2985 0.4600 0.4600 0.5355 0.5355 0.6354 0.6354 0.9757 0.9757 1.0143 1.0143 1.0232 1.0232 5.4940 5.4940 5.5181 5.5181 5.5722 5.5722 8.5606 8.5606 8.8270 8.8270 10.1228 10.1228 10.4329 10.4329 10.5392 10.5392 k = 0.5000 0.1386 0.4164 ( 14958 PWs) bands (ev): -67.7836 -67.7836 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.4986 -19.4986 -18.8988 -18.8988 -18.8960 -18.8960 -18.6056 -18.6056 -18.5786 -18.5786 -18.5709 -18.5709 -14.8759 -14.8759 -14.8739 -14.8739 -3.8100 -3.8100 -3.7388 -3.7388 -2.8077 -2.8077 -2.5576 -2.5576 -2.4615 -2.4615 -2.3038 -2.3038 -2.1344 -2.1344 -2.1147 -2.1147 -1.9046 -1.9046 -1.6413 -1.6413 -1.4952 -1.4952 -1.3334 -1.3334 -0.9128 -0.9128 -0.7630 -0.7630 -0.7178 -0.7178 0.2428 0.2428 0.2673 0.2673 0.2959 0.2959 0.4553 0.4553 0.5398 0.5398 0.6392 0.6392 0.9766 0.9766 1.0142 1.0142 1.0236 1.0236 5.4952 5.4952 5.5202 5.5202 5.5721 5.5721 8.5807 8.5807 8.8230 8.8230 10.0873 10.0873 10.4568 10.4568 10.5628 10.5628 k = 0.5000 0.1501 0.4001 ( 14962 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0184 -39.0184 -39.0182 -39.0182 -19.4991 -19.4991 -18.8986 -18.8986 -18.8961 -18.8961 -18.6058 -18.6058 -18.5786 -18.5786 -18.5705 -18.5705 -14.8757 -14.8757 -14.8735 -14.8735 -3.8145 -3.8145 -3.7406 -3.7406 -2.8234 -2.8234 -2.5545 -2.5545 -2.4583 -2.4583 -2.3111 -2.3111 -2.1374 -2.1374 -2.1186 -2.1186 -1.9131 -1.9131 -1.6435 -1.6435 -1.4758 -1.4758 -1.3138 -1.3138 -0.9190 -0.9190 -0.7567 -0.7567 -0.7095 -0.7095 0.2434 0.2434 0.2674 0.2674 0.2939 0.2939 0.4504 0.4504 0.5443 0.5443 0.6436 0.6436 0.9775 0.9775 1.0140 1.0140 1.0239 1.0239 5.4967 5.4967 5.5217 5.5217 5.5710 5.5710 8.6013 8.6013 8.8179 8.8179 10.0508 10.0508 10.4827 10.4827 10.5886 10.5886 k = 0.5000 0.1617 0.3838 ( 14966 PWs) bands (ev): -67.7838 -67.7838 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4995 -19.4995 -18.8984 -18.8984 -18.8962 -18.8962 -18.6059 -18.6059 -18.5785 -18.5785 -18.5701 -18.5701 -14.8756 -14.8756 -14.8731 -14.8731 -3.8190 -3.8190 -3.7422 -3.7422 -2.8386 -2.8386 -2.5512 -2.5512 -2.4560 -2.4560 -2.3175 -2.3175 -2.1402 -2.1402 -2.1226 -2.1226 -1.9210 -1.9210 -1.6456 -1.6456 -1.4580 -1.4580 -1.2936 -1.2936 -0.9250 -0.9250 -0.7508 -0.7508 -0.7016 -0.7016 0.2439 0.2439 0.2664 0.2664 0.2927 0.2927 0.4452 0.4452 0.5490 0.5490 0.6485 0.6485 0.9783 0.9783 1.0138 1.0138 1.0242 1.0242 5.4973 5.4973 5.5234 5.5234 5.5708 5.5708 8.6217 8.6217 8.8134 8.8134 10.0138 10.0138 10.5107 10.5107 10.6164 10.6164 k = 0.5000 0.1732 0.3674 ( 14956 PWs) bands (ev): -67.7835 -67.7835 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.4999 -19.4999 -18.8981 -18.8981 -18.8963 -18.8963 -18.6061 -18.6061 -18.5785 -18.5785 -18.5697 -18.5697 -14.8755 -14.8755 -14.8727 -14.8727 -3.8235 -3.8235 -3.7436 -3.7436 -2.8530 -2.8530 -2.5475 -2.5475 -2.4546 -2.4546 -2.3230 -2.3230 -2.1427 -2.1427 -2.1268 -2.1268 -1.9281 -1.9281 -1.6475 -1.6475 -1.4417 -1.4417 -1.2731 -1.2731 -0.9306 -0.9306 -0.7453 -0.7453 -0.6942 -0.6942 0.2443 0.2443 0.2645 0.2645 0.2921 0.2921 0.4400 0.4400 0.5535 0.5535 0.6539 0.6539 0.9790 0.9790 1.0136 1.0136 1.0245 1.0245 5.4982 5.4982 5.5259 5.5259 5.5720 5.5720 8.6432 8.6432 8.8096 8.8096 9.9769 9.9769 10.5407 10.5407 10.6461 10.6461 k = 0.5000 0.1848 0.3511 ( 14962 PWs) bands (ev): -67.7836 -67.7836 -39.9787 -39.9787 -39.0184 -39.0184 -39.0182 -39.0182 -19.5003 -19.5003 -18.8979 -18.8979 -18.8964 -18.8964 -18.6063 -18.6063 -18.5784 -18.5784 -18.5694 -18.5694 -14.8753 -14.8753 -14.8723 -14.8723 -3.8279 -3.8279 -3.7449 -3.7449 -2.8665 -2.8665 -2.5436 -2.5436 -2.4542 -2.4542 -2.3276 -2.3276 -2.1451 -2.1451 -2.1311 -2.1311 -1.9345 -1.9345 -1.6494 -1.6494 -1.4269 -1.4269 -1.2531 -1.2531 -0.9359 -0.9359 -0.7403 -0.7403 -0.6874 -0.6874 0.2445 0.2445 0.2620 0.2620 0.2920 0.2920 0.4349 0.4349 0.5579 0.5579 0.6596 0.6596 0.9797 0.9797 1.0133 1.0133 1.0248 1.0248 5.4985 5.4985 5.5271 5.5271 5.5719 5.5719 8.6637 8.6637 8.8055 8.8055 9.9408 9.9408 10.5724 10.5724 10.6775 10.6775 k = 0.5000 0.1963 0.3348 ( 14962 PWs) bands (ev): -67.7836 -67.7836 -39.9787 -39.9787 -39.0184 -39.0184 -39.0182 -39.0182 -19.5007 -19.5007 -18.8977 -18.8977 -18.8965 -18.8965 -18.6064 -18.6064 -18.5783 -18.5783 -18.5691 -18.5691 -14.8752 -14.8752 -14.8719 -14.8719 -3.8321 -3.8321 -3.7460 -3.7460 -2.8791 -2.8791 -2.5395 -2.5395 -2.4549 -2.4549 -2.3312 -2.3312 -2.1474 -2.1474 -2.1354 -2.1354 -1.9399 -1.9399 -1.6510 -1.6510 -1.4137 -1.4137 -1.2339 -1.2339 -0.9409 -0.9409 -0.7357 -0.7357 -0.6811 -0.6811 0.2447 0.2447 0.2591 0.2591 0.2920 0.2920 0.4300 0.4300 0.5620 0.5620 0.6654 0.6654 0.9802 0.9802 1.0130 1.0130 1.0251 1.0251 5.4989 5.4989 5.5289 5.5289 5.5722 5.5722 8.6843 8.6843 8.8014 8.8014 9.9061 9.9061 10.6058 10.6058 10.7103 10.7103 k = 0.5000 0.2078 0.3184 ( 14972 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5011 -19.5011 -18.8975 -18.8975 -18.8966 -18.8966 -18.6066 -18.6066 -18.5782 -18.5782 -18.5688 -18.5688 -14.8751 -14.8751 -14.8716 -14.8716 -3.8360 -3.8360 -3.7470 -3.7470 -2.8904 -2.8904 -2.5351 -2.5351 -2.4566 -2.4566 -2.3339 -2.3339 -2.1497 -2.1497 -2.1397 -2.1397 -1.9445 -1.9445 -1.6525 -1.6525 -1.4019 -1.4019 -1.2159 -1.2159 -0.9455 -0.9455 -0.7316 -0.7316 -0.6756 -0.6756 0.2448 0.2448 0.2563 0.2563 0.2921 0.2921 0.4254 0.4254 0.5657 0.5657 0.6712 0.6712 0.9806 0.9806 1.0127 1.0127 1.0254 1.0254 5.4985 5.4985 5.5295 5.5295 5.5719 5.5719 8.7042 8.7042 8.7970 8.7970 9.8733 9.8733 10.6406 10.6406 10.7442 10.7442 k = 0.5000 0.2194 0.3021 ( 14976 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5014 -19.5014 -18.8974 -18.8974 -18.8967 -18.8967 -18.6067 -18.6067 -18.5782 -18.5782 -18.5685 -18.5685 -14.8750 -14.8750 -14.8713 -14.8713 -3.8396 -3.8396 -3.7479 -3.7479 -2.9005 -2.9005 -2.5304 -2.5304 -2.4592 -2.4592 -2.3359 -2.3359 -2.1517 -2.1517 -2.1436 -2.1436 -1.9482 -1.9482 -1.6538 -1.6538 -1.3917 -1.3917 -1.1995 -1.1995 -0.9497 -0.9497 -0.7281 -0.7281 -0.6707 -0.6707 0.2447 0.2447 0.2535 0.2535 0.2922 0.2922 0.4213 0.4213 0.5690 0.5690 0.6768 0.6768 0.9809 0.9809 1.0124 1.0124 1.0257 1.0257 5.4988 5.4988 5.5301 5.5301 5.5718 5.5718 8.7230 8.7230 8.7936 8.7936 9.8432 9.8432 10.6763 10.6763 10.7787 10.7787 k = 0.5000 0.2309 0.2858 ( 14988 PWs) bands (ev): -67.7843 -67.7843 -39.9788 -39.9788 -39.0185 -39.0185 -39.0183 -39.0183 -19.5017 -19.5017 -18.8972 -18.8972 -18.8967 -18.8967 -18.6069 -18.6069 -18.5781 -18.5781 -18.5683 -18.5683 -14.8749 -14.8749 -14.8710 -14.8710 -3.8427 -3.8427 -3.7486 -3.7486 -2.9093 -2.9093 -2.5256 -2.5256 -2.4626 -2.4626 -2.3371 -2.3371 -2.1538 -2.1538 -2.1472 -2.1472 -1.9512 -1.9512 -1.6550 -1.6550 -1.3830 -1.3830 -1.1849 -1.1849 -0.9534 -0.9534 -0.7251 -0.7251 -0.6666 -0.6666 0.2446 0.2446 0.2511 0.2511 0.2922 0.2922 0.4177 0.4177 0.5718 0.5718 0.6819 0.6819 0.9811 0.9811 1.0121 1.0121 1.0260 1.0260 5.4983 5.4983 5.5307 5.5307 5.5716 5.5716 8.7387 8.7387 8.7903 8.7903 9.8162 9.8162 10.7120 10.7120 10.8132 10.8132 k = 0.5000 0.2425 0.2694 ( 14988 PWs) bands (ev): -67.7843 -67.7843 -39.9788 -39.9788 -39.0185 -39.0185 -39.0183 -39.0183 -19.5019 -19.5019 -18.8971 -18.8971 -18.8968 -18.8968 -18.6070 -18.6070 -18.5780 -18.5780 -18.5680 -18.5680 -14.8748 -14.8748 -14.8708 -14.8708 -3.8453 -3.8453 -3.7492 -3.7492 -2.9165 -2.9165 -2.5208 -2.5208 -2.4665 -2.4665 -2.3379 -2.3379 -2.1557 -2.1557 -2.1500 -2.1500 -1.9535 -1.9535 -1.6559 -1.6559 -1.3757 -1.3757 -1.1725 -1.1725 -0.9566 -0.9566 -0.7226 -0.7226 -0.6632 -0.6632 0.2443 0.2443 0.2491 0.2491 0.2922 0.2922 0.4146 0.4146 0.5741 0.5741 0.6864 0.6864 0.9813 0.9813 1.0119 1.0119 1.0262 1.0262 5.4983 5.4983 5.5317 5.5317 5.5721 5.5721 8.7535 8.7535 8.7879 8.7879 9.7932 9.7932 10.7466 10.7466 10.8470 10.8470 k = 0.5000 0.2540 0.2531 ( 14988 PWs) bands (ev): -67.7843 -67.7843 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.5021 -19.5021 -18.8970 -18.8970 -18.8968 -18.8968 -18.6071 -18.6071 -18.5780 -18.5780 -18.5679 -18.5679 -14.8747 -14.8747 -14.8706 -14.8706 -3.8474 -3.8474 -3.7496 -3.7496 -2.9222 -2.9222 -2.5161 -2.5161 -2.4706 -2.4706 -2.3382 -2.3382 -2.1574 -2.1574 -2.1518 -2.1518 -1.9551 -1.9551 -1.6566 -1.6566 -1.3701 -1.3701 -1.1627 -1.1627 -0.9592 -0.9592 -0.7207 -0.7207 -0.6605 -0.6605 0.2440 0.2440 0.2476 0.2476 0.2922 0.2922 0.4122 0.4122 0.5760 0.5760 0.6901 0.6901 0.9814 0.9814 1.0117 1.0117 1.0264 1.0264 5.4984 5.4984 5.5318 5.5318 5.5719 5.5719 8.7668 8.7668 8.7860 8.7860 9.7745 9.7745 10.7777 10.7777 10.8787 10.8787 k = 0.5000 0.2656 0.2368 ( 14978 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5022 -19.5022 -18.8969 -18.8969 -18.8968 -18.8968 -18.6071 -18.6071 -18.5780 -18.5780 -18.5678 -18.5678 -14.8747 -14.8747 -14.8705 -14.8705 -3.8490 -3.8490 -3.7500 -3.7500 -2.9263 -2.9263 -2.5118 -2.5118 -2.4745 -2.4745 -2.3384 -2.3384 -2.1588 -2.1588 -2.1530 -2.1530 -1.9562 -1.9562 -1.6571 -1.6571 -1.3660 -1.3660 -1.1553 -1.1553 -0.9611 -0.9611 -0.7193 -0.7193 -0.6586 -0.6586 0.2435 0.2435 0.2467 0.2467 0.2922 0.2922 0.4105 0.4105 0.5773 0.5773 0.6928 0.6928 0.9814 0.9814 1.0115 1.0115 1.0265 1.0265 5.4990 5.4990 5.5327 5.5327 5.5726 5.5726 8.7764 8.7764 8.7853 8.7853 9.7607 9.7607 10.8022 10.8022 10.9057 10.9057 k = 0.5000 0.2771 0.2205 ( 14974 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5023 -19.5023 -18.8969 -18.8969 -18.8968 -18.8968 -18.6072 -18.6072 -18.5779 -18.5779 -18.5677 -18.5677 -14.8747 -14.8747 -14.8704 -14.8704 -3.8499 -3.8499 -3.7501 -3.7501 -2.9288 -2.9288 -2.5086 -2.5086 -2.4776 -2.4776 -2.3384 -2.3384 -2.1598 -2.1598 -2.1537 -2.1537 -1.9568 -1.9568 -1.6574 -1.6574 -1.3635 -1.3635 -1.1509 -1.1509 -0.9623 -0.9623 -0.7184 -0.7184 -0.6575 -0.6575 0.2431 0.2431 0.2462 0.2462 0.2922 0.2922 0.4094 0.4094 0.5781 0.5781 0.6945 0.6945 0.9815 0.9815 1.0114 1.0114 1.0266 1.0266 5.4991 5.4991 5.5332 5.5332 5.5730 5.5730 8.7823 8.7823 8.7850 8.7850 9.7523 9.7523 10.8174 10.8174 10.9240 10.9240 k = 0.5000 0.2887 0.2041 ( 15004 PWs) bands (ev): -67.7847 -67.7847 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.5023 -19.5023 -18.8969 -18.8969 -18.8969 -18.8969 -18.6072 -18.6072 -18.5779 -18.5779 -18.5677 -18.5677 -14.8747 -14.8747 -14.8704 -14.8704 -3.8502 -3.8502 -3.7502 -3.7502 -2.9297 -2.9297 -2.5073 -2.5073 -2.4788 -2.4788 -2.3384 -2.3384 -2.1604 -2.1604 -2.1542 -2.1542 -1.9571 -1.9571 -1.6576 -1.6576 -1.3629 -1.3629 -1.1496 -1.1496 -0.9627 -0.9627 -0.7182 -0.7182 -0.6571 -0.6571 0.2430 0.2430 0.2461 0.2461 0.2921 0.2921 0.4090 0.4090 0.5783 0.5783 0.6950 0.6950 0.9815 0.9815 1.0114 1.0114 1.0266 1.0266 5.4981 5.4981 5.5309 5.5309 5.5708 5.5708 8.7820 8.7820 8.7837 8.7837 9.7494 9.7494 10.8224 10.8224 10.9302 10.9302 k = 0.5000 0.2887 0.2041 ( 15004 PWs) bands (ev): -67.7847 -67.7847 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.5023 -19.5023 -18.8969 -18.8969 -18.8969 -18.8969 -18.6072 -18.6072 -18.5779 -18.5779 -18.5677 -18.5677 -14.8747 -14.8747 -14.8704 -14.8704 -3.8502 -3.8502 -3.7502 -3.7502 -2.9297 -2.9297 -2.5073 -2.5073 -2.4788 -2.4788 -2.3384 -2.3384 -2.1604 -2.1604 -2.1542 -2.1542 -1.9571 -1.9571 -1.6576 -1.6576 -1.3629 -1.3629 -1.1496 -1.1496 -0.9627 -0.9627 -0.7182 -0.7182 -0.6571 -0.6571 0.2430 0.2430 0.2461 0.2461 0.2921 0.2921 0.4090 0.4090 0.5783 0.5783 0.6950 0.6950 0.9815 0.9815 1.0114 1.0114 1.0266 1.0266 5.4981 5.4981 5.5309 5.5309 5.5708 5.5708 8.7820 8.7820 8.7837 8.7837 9.7494 9.7494 10.8224 10.8224 10.9302 10.9302 k = 0.4943 0.2854 0.2227 ( 14974 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5023 -19.5023 -18.8969 -18.8969 -18.8969 -18.8969 -18.6072 -18.6072 -18.5779 -18.5779 -18.5677 -18.5677 -14.8747 -14.8747 -14.8704 -14.8704 -3.8499 -3.8499 -3.7501 -3.7501 -2.9288 -2.9288 -2.5085 -2.5085 -2.4776 -2.4776 -2.3384 -2.3384 -2.1599 -2.1599 -2.1537 -2.1537 -1.9568 -1.9568 -1.6574 -1.6574 -1.3634 -1.3634 -1.1508 -1.1508 -0.9623 -0.9623 -0.7184 -0.7184 -0.6575 -0.6575 0.2431 0.2431 0.2462 0.2462 0.2922 0.2922 0.4094 0.4094 0.5781 0.5781 0.6945 0.6945 0.9815 0.9815 1.0114 1.0114 1.0266 1.0266 5.4991 5.4991 5.5335 5.5335 5.5732 5.5732 8.7821 8.7821 8.7846 8.7846 9.7522 9.7522 10.8175 10.8175 10.9242 10.9242 k = 0.4886 0.2821 0.2412 ( 14983 PWs) bands (ev): -67.7842 -67.7842 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5022 -19.5022 -18.8969 -18.8969 -18.8968 -18.8968 -18.6071 -18.6071 -18.5780 -18.5780 -18.5678 -18.5678 -14.8747 -14.8747 -14.8705 -14.8705 -3.8490 -3.8490 -3.7500 -3.7500 -2.9264 -2.9264 -2.5116 -2.5116 -2.4747 -2.4747 -2.3384 -2.3384 -2.1590 -2.1590 -2.1531 -2.1531 -1.9563 -1.9563 -1.6571 -1.6571 -1.3659 -1.3659 -1.1552 -1.1552 -0.9612 -0.9612 -0.7192 -0.7192 -0.6586 -0.6586 0.2435 0.2435 0.2466 0.2466 0.2922 0.2922 0.4104 0.4104 0.5773 0.5773 0.6928 0.6928 0.9814 0.9814 1.0115 1.0115 1.0265 1.0265 5.4987 5.4987 5.5326 5.5326 5.5724 5.5724 8.7762 8.7762 8.7851 8.7851 9.7604 9.7604 10.8027 10.8027 10.9085 10.9085 k = 0.4830 0.2788 0.2598 ( 14989 PWs) bands (ev): -67.7843 -67.7843 -39.9788 -39.9788 -39.0186 -39.0186 -39.0183 -39.0183 -19.5021 -19.5021 -18.8970 -18.8970 -18.8968 -18.8968 -18.6071 -18.6071 -18.5780 -18.5780 -18.5679 -18.5679 -14.8747 -14.8747 -14.8706 -14.8706 -3.8475 -3.8475 -3.7496 -3.7496 -2.9224 -2.9224 -2.5158 -2.5158 -2.4708 -2.4708 -2.3382 -2.3382 -2.1576 -2.1576 -2.1520 -2.1520 -1.9552 -1.9552 -1.6566 -1.6566 -1.3698 -1.3698 -1.1622 -1.1622 -0.9593 -0.9593 -0.7206 -0.7206 -0.6604 -0.6604 0.2440 0.2440 0.2475 0.2475 0.2922 0.2922 0.4121 0.4121 0.5760 0.5760 0.6902 0.6902 0.9814 0.9814 1.0117 1.0117 1.0264 1.0264 5.4983 5.4983 5.5319 5.5319 5.5720 5.5720 8.7665 8.7665 8.7863 8.7863 9.7737 9.7737 10.7783 10.7783 10.8893 10.8893 k = 0.4773 0.2756 0.2784 ( 14975 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5019 -19.5019 -18.8971 -18.8971 -18.8968 -18.8968 -18.6070 -18.6070 -18.5780 -18.5780 -18.5680 -18.5680 -14.8748 -14.8748 -14.8708 -14.8708 -3.8455 -3.8455 -3.7492 -3.7492 -2.9169 -2.9169 -2.5205 -2.5205 -2.4667 -2.4667 -2.3379 -2.3379 -2.1557 -2.1557 -2.1499 -2.1499 -1.9535 -1.9535 -1.6559 -1.6559 -1.3753 -1.3753 -1.1718 -1.1718 -0.9568 -0.9568 -0.7225 -0.7225 -0.6630 -0.6630 0.2444 0.2444 0.2489 0.2489 0.2922 0.2922 0.4144 0.4144 0.5742 0.5742 0.6866 0.6866 0.9813 0.9813 1.0119 1.0119 1.0262 1.0262 5.4990 5.4990 5.5323 5.5323 5.5727 5.5727 8.7554 8.7554 8.7886 8.7886 9.7919 9.7919 10.7468 10.7468 10.8696 10.8696 k = 0.4716 0.2723 0.2969 ( 14972 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5017 -19.5017 -18.8972 -18.8972 -18.8967 -18.8967 -18.6069 -18.6069 -18.5781 -18.5781 -18.5682 -18.5682 -14.8749 -14.8749 -14.8710 -14.8710 -3.8429 -3.8429 -3.7486 -3.7486 -2.9099 -2.9099 -2.5252 -2.5252 -2.4629 -2.4629 -2.3372 -2.3372 -2.1538 -2.1538 -2.1472 -2.1472 -1.9513 -1.9513 -1.6550 -1.6550 -1.3823 -1.3823 -1.1838 -1.1838 -0.9537 -0.9537 -0.7248 -0.7248 -0.6663 -0.6663 0.2446 0.2446 0.2509 0.2509 0.2922 0.2922 0.4174 0.4174 0.5720 0.5720 0.6823 0.6823 0.9812 0.9812 1.0121 1.0121 1.0260 1.0260 5.4991 5.4991 5.5318 5.5318 5.5726 5.5726 8.7411 8.7411 8.7908 8.7908 9.8143 9.8143 10.7114 10.7114 10.8488 10.8488 k = 0.4659 0.2690 0.3155 ( 14968 PWs) bands (ev): -67.7838 -67.7838 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5014 -19.5014 -18.8973 -18.8973 -18.8967 -18.8967 -18.6067 -18.6067 -18.5781 -18.5781 -18.5685 -18.5685 -14.8750 -14.8750 -14.8713 -14.8713 -3.8399 -3.8399 -3.7480 -3.7480 -2.9014 -2.9014 -2.5300 -2.5300 -2.4595 -2.4595 -2.3360 -2.3360 -2.1519 -2.1519 -2.1438 -2.1438 -1.9485 -1.9485 -1.6539 -1.6539 -1.3908 -1.3908 -1.1979 -1.1979 -0.9501 -0.9501 -0.7278 -0.7278 -0.6703 -0.6703 0.2448 0.2448 0.2532 0.2532 0.2922 0.2922 0.4209 0.4209 0.5692 0.5692 0.6774 0.6774 0.9809 0.9809 1.0124 1.0124 1.0258 1.0258 5.4991 5.4991 5.5310 5.5310 5.5725 5.5725 8.7251 8.7251 8.7935 8.7935 9.8405 9.8405 10.6749 10.6749 10.8265 10.8265 k = 0.4602 0.2657 0.3340 ( 14968 PWs) bands (ev): -67.7838 -67.7838 -39.9787 -39.9787 -39.0184 -39.0184 -39.0182 -39.0182 -19.5011 -19.5011 -18.8975 -18.8975 -18.8966 -18.8966 -18.6066 -18.6066 -18.5782 -18.5782 -18.5687 -18.5687 -14.8751 -14.8751 -14.8716 -14.8716 -3.8365 -3.8365 -3.7471 -3.7471 -2.8916 -2.8916 -2.5346 -2.5346 -2.4568 -2.4568 -2.3342 -2.3342 -2.1500 -2.1500 -2.1401 -2.1401 -1.9449 -1.9449 -1.6527 -1.6527 -1.4008 -1.4008 -1.2138 -1.2138 -0.9460 -0.9460 -0.7312 -0.7312 -0.6750 -0.6750 0.2449 0.2449 0.2558 0.2558 0.2921 0.2921 0.4249 0.4249 0.5659 0.5659 0.6720 0.6720 0.9806 0.9806 1.0126 1.0126 1.0255 1.0255 5.4989 5.4989 5.5302 5.5302 5.5722 5.5722 8.7059 8.7059 8.7971 8.7971 9.8699 9.8699 10.6390 10.6390 10.8032 10.8032 k = 0.4545 0.2624 0.3526 ( 14972 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.5008 -19.5008 -18.8977 -18.8977 -18.8965 -18.8965 -18.6064 -18.6064 -18.5783 -18.5783 -18.5690 -18.5690 -14.8752 -14.8752 -14.8719 -14.8719 -3.8326 -3.8326 -3.7462 -3.7462 -2.8806 -2.8806 -2.5390 -2.5390 -2.4550 -2.4550 -2.3316 -2.3316 -2.1481 -2.1481 -2.1360 -2.1360 -1.9404 -1.9404 -1.6512 -1.6512 -1.4123 -1.4123 -1.2313 -1.2313 -0.9416 -0.9416 -0.7351 -0.7351 -0.6804 -0.6804 0.2449 0.2449 0.2587 0.2587 0.2919 0.2919 0.4292 0.4292 0.5622 0.5622 0.6665 0.6665 0.9803 0.9803 1.0129 1.0129 1.0253 1.0253 5.4982 5.4982 5.5287 5.5287 5.5715 5.5715 8.6855 8.6855 8.8012 8.8012 9.9017 9.9017 10.6049 10.6049 10.7791 10.7791 k = 0.4489 0.2592 0.3711 ( 14972 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0184 -39.0184 -39.0182 -39.0182 -19.5004 -19.5004 -18.8979 -18.8979 -18.8964 -18.8964 -18.6063 -18.6063 -18.5784 -18.5784 -18.5693 -18.5693 -14.8753 -14.8753 -14.8722 -14.8722 -3.8285 -3.8285 -3.7451 -3.7451 -2.8685 -2.8685 -2.5432 -2.5432 -2.4540 -2.4540 -2.3282 -2.3282 -2.1460 -2.1460 -2.1317 -2.1317 -1.9351 -1.9351 -1.6496 -1.6496 -1.4254 -1.4254 -1.2499 -1.2499 -0.9367 -0.9367 -0.7395 -0.7395 -0.6864 -0.6864 0.2448 0.2448 0.2617 0.2617 0.2917 0.2917 0.4338 0.4338 0.5581 0.5581 0.6611 0.6611 0.9798 0.9798 1.0130 1.0130 1.0251 1.0251 5.4974 5.4974 5.5275 5.5275 5.5712 5.5712 8.6650 8.6650 8.8053 8.8053 9.9356 9.9356 10.5732 10.5732 10.7545 10.7545 k = 0.4432 0.2559 0.3897 ( 14958 PWs) bands (ev): -67.7835 -67.7835 -39.9786 -39.9786 -39.0184 -39.0184 -39.0182 -39.0182 -19.5000 -19.5000 -18.8981 -18.8981 -18.8963 -18.8963 -18.6061 -18.6061 -18.5785 -18.5785 -18.5697 -18.5697 -14.8754 -14.8754 -14.8726 -14.8726 -3.8242 -3.8242 -3.7439 -3.7439 -2.8553 -2.8553 -2.5471 -2.5471 -2.4540 -2.4540 -2.3238 -2.3238 -2.1437 -2.1437 -2.1275 -2.1275 -1.9287 -1.9287 -1.6478 -1.6478 -1.4400 -1.4400 -1.2689 -1.2689 -0.9315 -0.9315 -0.7444 -0.7444 -0.6931 -0.6931 0.2445 0.2445 0.2648 0.2648 0.2914 0.2914 0.4383 0.4383 0.5536 0.5536 0.6560 0.6560 0.9792 0.9792 1.0131 1.0131 1.0250 1.0250 5.4974 5.4974 5.5272 5.5272 5.5719 5.5719 8.6445 8.6445 8.8103 8.8103 9.9710 9.9710 10.5445 10.5445 10.7295 10.7295 k = 0.4375 0.2526 0.4082 ( 14959 PWs) bands (ev): -67.7836 -67.7836 -39.9786 -39.9786 -39.0184 -39.0184 -39.0182 -39.0182 -19.4996 -19.4996 -18.8984 -18.8984 -18.8962 -18.8962 -18.6060 -18.6060 -18.5786 -18.5786 -18.5700 -18.5700 -14.8756 -14.8756 -14.8730 -14.8730 -3.8198 -3.8198 -3.7426 -3.7426 -2.8413 -2.8413 -2.5508 -2.5508 -2.4548 -2.4548 -2.3186 -2.3186 -2.1415 -2.1415 -2.1235 -2.1235 -1.9215 -1.9215 -1.6459 -1.6459 -1.4563 -1.4563 -1.2882 -1.2882 -0.9261 -0.9261 -0.7497 -0.7497 -0.7003 -0.7003 0.2440 0.2440 0.2678 0.2678 0.2911 0.2911 0.4426 0.4426 0.5490 0.5490 0.6515 0.6515 0.9785 0.9785 1.0131 1.0131 1.0249 1.0249 5.4962 5.4962 5.5257 5.5257 5.5717 5.5717 8.6231 8.6231 8.8152 8.8152 10.0071 10.0071 10.5189 10.5189 10.7041 10.7041 k = 0.4318 0.2493 0.4268 ( 14958 PWs) bands (ev): -67.7835 -67.7835 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.4992 -19.4992 -18.8986 -18.8986 -18.8961 -18.8961 -18.6058 -18.6058 -18.5786 -18.5786 -18.5703 -18.5703 -14.8757 -14.8757 -14.8734 -14.8734 -3.8153 -3.8153 -3.7412 -3.7412 -2.8267 -2.8267 -2.5544 -2.5544 -2.4565 -2.4565 -2.3124 -2.3124 -2.1391 -2.1391 -2.1197 -2.1197 -1.9135 -1.9135 -1.6438 -1.6438 -1.4744 -1.4744 -1.3071 -1.3071 -0.9203 -0.9203 -0.7554 -0.7554 -0.7079 -0.7079 0.2433 0.2433 0.2707 0.2707 0.2909 0.2909 0.4463 0.4463 0.5445 0.5445 0.6476 0.6476 0.9778 0.9778 1.0129 1.0129 1.0249 1.0249 5.4946 5.4946 5.5251 5.5251 5.5719 5.5719 8.6012 8.6012 8.8206 8.8206 10.0433 10.0433 10.4969 10.4969 10.6783 10.6783 k = 0.4261 0.2460 0.4454 ( 14964 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4987 -19.4987 -18.8988 -18.8988 -18.8960 -18.8960 -18.6057 -18.6057 -18.5787 -18.5787 -18.5707 -18.5707 -14.8759 -14.8759 -14.8737 -14.8737 -3.8108 -3.8108 -3.7397 -3.7397 -2.8116 -2.8116 -2.5577 -2.5577 -2.4589 -2.4589 -2.3054 -2.3054 -2.1368 -2.1368 -2.1163 -2.1163 -1.9048 -1.9048 -1.6417 -1.6417 -1.4942 -1.4942 -1.3251 -1.3251 -0.9144 -0.9144 -0.7615 -0.7615 -0.7159 -0.7159 0.2422 0.2422 0.2733 0.2733 0.2909 0.2909 0.4488 0.4488 0.5407 0.5407 0.6445 0.6445 0.9770 0.9770 1.0127 1.0127 1.0250 1.0250 5.4926 5.4926 5.5242 5.5242 5.5714 5.5714 8.5795 8.5795 8.8256 8.8256 10.0791 10.0791 10.4785 10.4785 10.6522 10.6522 k = 0.4205 0.2427 0.4639 ( 14968 PWs) bands (ev): -67.7838 -67.7838 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4983 -19.4983 -18.8991 -18.8991 -18.8958 -18.8958 -18.6056 -18.6056 -18.5788 -18.5788 -18.5710 -18.5710 -14.8761 -14.8761 -14.8741 -14.8741 -3.8065 -3.8065 -3.7381 -3.7381 -2.7963 -2.7963 -2.5609 -2.5609 -2.4618 -2.4618 -2.2977 -2.2977 -2.1343 -2.1343 -2.1130 -2.1130 -1.8957 -1.8957 -1.6395 -1.6395 -1.5156 -1.5156 -1.3417 -1.3417 -0.9083 -0.9083 -0.7678 -0.7678 -0.7243 -0.7243 0.2407 0.2407 0.2757 0.2757 0.2912 0.2912 0.4497 0.4497 0.5381 0.5381 0.6424 0.6424 0.9761 0.9761 1.0123 1.0123 1.0251 1.0251 5.4900 5.4900 5.5234 5.5234 5.5713 5.5713 8.5583 8.5583 8.8317 8.8317 10.1138 10.1138 10.4638 10.4638 10.6258 10.6258 k = 0.4148 0.2395 0.4825 ( 14965 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4979 -19.4979 -18.8994 -18.8994 -18.8957 -18.8957 -18.6055 -18.6055 -18.5788 -18.5788 -18.5713 -18.5713 -14.8763 -14.8763 -14.8744 -14.8744 -3.8024 -3.8024 -3.7364 -3.7364 -2.7809 -2.7809 -2.5639 -2.5639 -2.4652 -2.4652 -2.2892 -2.2892 -2.1319 -2.1319 -2.1099 -2.1099 -1.8865 -1.8865 -1.6374 -1.6374 -1.5380 -1.5380 -1.3566 -1.3566 -0.9021 -0.9021 -0.7745 -0.7745 -0.7327 -0.7327 0.2389 0.2389 0.2776 0.2776 0.2918 0.2918 0.4486 0.4486 0.5371 0.5371 0.6410 0.6410 0.9753 0.9753 1.0118 1.0118 1.0253 1.0253 5.4873 5.4873 5.5233 5.5233 5.5718 5.5718 8.5380 8.5380 8.8383 8.8383 10.1471 10.1471 10.4530 10.4530 10.5990 10.5990 k = 0.4091 0.2362 0.5010 ( 14977 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4975 -19.4975 -18.8996 -18.8996 -18.8956 -18.8956 -18.6054 -18.6054 -18.5789 -18.5789 -18.5716 -18.5716 -14.8765 -14.8765 -14.8747 -14.8747 -3.7986 -3.7986 -3.7348 -3.7348 -2.7658 -2.7658 -2.5669 -2.5669 -2.4688 -2.4688 -2.2802 -2.2802 -2.1297 -2.1297 -2.1068 -2.1068 -1.8777 -1.8777 -1.6357 -1.6357 -1.5606 -1.5606 -1.3696 -1.3696 -0.8959 -0.8959 -0.7812 -0.7812 -0.7412 -0.7412 0.2367 0.2367 0.2791 0.2791 0.2928 0.2928 0.4453 0.4453 0.5379 0.5379 0.6404 0.6404 0.9744 0.9744 1.0113 1.0113 1.0255 1.0255 5.4843 5.4843 5.5229 5.5229 5.5715 5.5715 8.5172 8.5172 8.8438 8.8438 10.1781 10.1781 10.4457 10.4457 10.5721 10.5721 k = 0.4034 0.2329 0.5196 ( 14977 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4972 -19.4972 -18.8999 -18.8999 -18.8954 -18.8954 -18.6053 -18.6053 -18.5789 -18.5789 -18.5719 -18.5719 -14.8768 -14.8768 -14.8749 -14.8749 -3.7951 -3.7951 -3.7331 -3.7331 -2.7512 -2.7512 -2.5699 -2.5699 -2.4727 -2.4727 -2.2707 -2.2707 -2.1276 -2.1276 -2.1035 -2.1035 -1.8699 -1.8699 -1.6351 -1.6351 -1.5818 -1.5818 -1.3806 -1.3806 -0.8897 -0.8897 -0.7881 -0.7881 -0.7494 -0.7494 0.2342 0.2342 0.2801 0.2801 0.2941 0.2941 0.4402 0.4402 0.5405 0.5405 0.6405 0.6405 0.9735 0.9735 1.0107 1.0107 1.0257 1.0257 5.4817 5.4817 5.5232 5.5232 5.5720 5.5720 8.4987 8.4987 8.8497 8.8497 10.2070 10.2070 10.4419 10.4419 10.5448 10.5448 k = 0.3977 0.2296 0.5381 ( 14982 PWs) bands (ev): -67.7842 -67.7842 -39.9787 -39.9787 -39.0186 -39.0186 -39.0182 -39.0182 -19.4968 -19.4968 -18.9001 -18.9001 -18.8953 -18.8953 -18.6053 -18.6053 -18.5789 -18.5789 -18.5722 -18.5722 -14.8771 -14.8771 -14.8750 -14.8750 -3.7921 -3.7921 -3.7315 -3.7315 -2.7374 -2.7374 -2.5728 -2.5728 -2.4766 -2.4766 -2.2609 -2.2609 -2.1260 -2.1260 -2.0996 -2.0996 -1.8642 -1.8642 -1.6376 -1.6376 -1.5986 -1.5986 -1.3896 -1.3896 -0.8837 -0.8837 -0.7948 -0.7948 -0.7574 -0.7574 0.2313 0.2313 0.2809 0.2809 0.2956 0.2956 0.4337 0.4337 0.5445 0.5445 0.6412 0.6412 0.9726 0.9726 1.0102 1.0102 1.0259 1.0259 5.4781 5.4781 5.5233 5.5233 5.5721 5.5721 8.4818 8.4818 8.8553 8.8553 10.2335 10.2335 10.4409 10.4409 10.5173 10.5173 k = 0.3920 0.2263 0.5567 ( 14970 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4965 -19.4965 -18.9003 -18.9003 -18.8951 -18.8951 -18.6053 -18.6053 -18.5789 -18.5789 -18.5724 -18.5724 -14.8774 -14.8774 -14.8750 -14.8750 -3.7897 -3.7897 -3.7300 -3.7300 -2.7248 -2.7248 -2.5757 -2.5757 -2.4804 -2.4804 -2.2511 -2.2511 -2.1246 -2.1246 -2.0951 -2.0951 -1.8614 -1.8614 -1.6451 -1.6451 -1.6071 -1.6071 -1.3966 -1.3966 -0.8781 -0.8781 -0.8011 -0.8011 -0.7649 -0.7649 0.2281 0.2281 0.2815 0.2815 0.2971 0.2971 0.4263 0.4263 0.5494 0.5494 0.6424 0.6424 0.9718 0.9718 1.0097 1.0097 1.0261 1.0261 5.4754 5.4754 5.5249 5.5249 5.5735 5.5735 8.4661 8.4661 8.8626 8.8626 10.2576 10.2576 10.4417 10.4417 10.4897 10.4897 k = 0.3864 0.2231 0.5753 ( 14976 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4963 -19.4963 -18.9005 -18.9005 -18.8950 -18.8950 -18.6053 -18.6053 -18.5789 -18.5789 -18.5726 -18.5726 -14.8777 -14.8777 -14.8750 -14.8750 -3.7879 -3.7879 -3.7285 -3.7285 -2.7137 -2.7137 -2.5785 -2.5785 -2.4840 -2.4840 -2.2418 -2.2418 -2.1239 -2.1239 -2.0901 -2.0901 -1.8626 -1.8626 -1.6549 -1.6549 -1.6089 -1.6089 -1.4019 -1.4019 -0.8731 -0.8731 -0.8067 -0.8067 -0.7717 -0.7717 0.2247 0.2247 0.2819 0.2819 0.2985 0.2985 0.4185 0.4185 0.5550 0.5550 0.6439 0.6439 0.9710 0.9710 1.0093 1.0093 1.0262 1.0262 5.4726 5.4726 5.5254 5.5254 5.5735 5.5735 8.4510 8.4510 8.8681 8.8681 10.2793 10.2793 10.4417 10.4417 10.4622 10.4622 k = 0.3807 0.2198 0.5938 ( 14975 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4961 -19.4961 -18.9007 -18.9007 -18.8948 -18.8948 -18.6053 -18.6053 -18.5788 -18.5788 -18.5727 -18.5727 -14.8781 -14.8781 -14.8749 -14.8749 -3.7868 -3.7868 -3.7272 -3.7272 -2.7045 -2.7045 -2.5811 -2.5811 -2.4874 -2.4874 -2.2334 -2.2334 -2.1236 -2.1236 -2.0849 -2.0849 -1.8678 -1.8678 -1.6621 -1.6621 -1.6076 -1.6076 -1.4053 -1.4053 -0.8692 -0.8692 -0.8110 -0.8110 -0.7778 -0.7778 0.2213 0.2213 0.2822 0.2822 0.2997 0.2997 0.4107 0.4107 0.5608 0.5608 0.6457 0.6457 0.9704 0.9704 1.0089 1.0089 1.0263 1.0263 5.4701 5.4701 5.5265 5.5265 5.5745 5.5745 8.4376 8.4376 8.8737 8.8737 10.2990 10.2990 10.4299 10.4299 10.4372 10.4372 k = 0.3750 0.2165 0.6124 ( 14957 PWs) bands (ev): -67.7835 -67.7835 -39.9786 -39.9786 -39.0185 -39.0185 -39.0181 -39.0181 -19.4960 -19.4960 -18.9009 -18.9009 -18.8947 -18.8947 -18.6053 -18.6053 -18.5788 -18.5788 -18.5728 -18.5728 -14.8784 -14.8784 -14.8747 -14.8747 -3.7864 -3.7864 -3.7259 -3.7259 -2.6977 -2.6977 -2.5831 -2.5831 -2.4904 -2.4904 -2.2267 -2.2267 -2.1233 -2.1233 -2.0801 -2.0801 -1.8757 -1.8757 -1.6646 -1.6646 -1.6051 -1.6051 -1.4071 -1.4071 -0.8667 -0.8667 -0.8137 -0.8137 -0.7829 -0.7829 0.2177 0.2177 0.2824 0.2824 0.3006 0.3006 0.4033 0.4033 0.5668 0.5668 0.6477 0.6477 0.9699 0.9699 1.0086 1.0086 1.0265 1.0265 5.4684 5.4684 5.5288 5.5288 5.5767 5.5767 8.4261 8.4261 8.8810 8.8810 10.3154 10.3154 10.4025 10.4025 10.4097 10.4097 k = 0.6250-0.0722 0.4082 ( 14957 PWs) bands (ev): -67.7835 -67.7835 -39.9786 -39.9786 -39.0184 -39.0184 -39.0182 -39.0182 -19.4960 -19.4960 -18.9009 -18.9009 -18.8947 -18.8947 -18.6053 -18.6053 -18.5788 -18.5788 -18.5728 -18.5728 -14.8784 -14.8784 -14.8747 -14.8747 -3.7864 -3.7864 -3.7259 -3.7259 -2.6977 -2.6977 -2.5831 -2.5831 -2.4904 -2.4904 -2.2267 -2.2267 -2.1233 -2.1233 -2.0801 -2.0801 -1.8757 -1.8757 -1.6646 -1.6646 -1.6051 -1.6051 -1.4071 -1.4071 -0.8667 -0.8667 -0.8137 -0.8137 -0.7829 -0.7829 0.2177 0.2177 0.2824 0.2824 0.3006 0.3006 0.4033 0.4033 0.5668 0.5668 0.6477 0.6477 0.9699 0.9699 1.0086 1.0086 1.0265 1.0265 5.4684 5.4684 5.5289 5.5289 5.5766 5.5766 8.4261 8.4261 8.8810 8.8810 10.3154 10.3154 10.4025 10.4025 10.4097 10.4097 k = 0.6154-0.0888 0.4082 ( 14961 PWs) bands (ev): -67.7836 -67.7836 -39.9787 -39.9787 -39.0184 -39.0184 -39.0182 -39.0182 -19.4958 -19.4958 -18.9012 -18.9012 -18.8945 -18.8945 -18.6053 -18.6053 -18.5787 -18.5787 -18.5730 -18.5730 -14.8790 -14.8790 -14.8743 -14.8743 -3.7869 -3.7869 -3.7239 -3.7239 -2.6891 -2.6891 -2.5861 -2.5861 -2.4950 -2.4950 -2.2173 -2.2173 -2.1236 -2.1236 -2.0737 -2.0737 -1.8895 -1.8895 -1.6656 -1.6656 -1.5991 -1.5991 -1.4083 -1.4083 -0.8639 -0.8639 -0.8164 -0.8164 -0.7903 -0.7903 0.2118 0.2118 0.2825 0.2825 0.3017 0.3017 0.3913 0.3913 0.5768 0.5768 0.6512 0.6512 0.9691 0.9691 1.0083 1.0083 1.0267 1.0267 5.4659 5.4659 5.5301 5.5301 5.5774 5.5774 8.4079 8.4079 8.8887 8.8887 10.3355 10.3355 10.3535 10.3535 10.3617 10.3617 k = 0.6058-0.1055 0.4082 ( 14957 PWs) bands (ev): -67.7835 -67.7835 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.4957 -19.4957 -18.9014 -18.9014 -18.8942 -18.8942 -18.6054 -18.6054 -18.5787 -18.5787 -18.5731 -18.5731 -14.8795 -14.8795 -14.8740 -14.8740 -3.7877 -3.7877 -3.7219 -3.7219 -2.6815 -2.6815 -2.5893 -2.5893 -2.4992 -2.4992 -2.2084 -2.2084 -2.1237 -2.1237 -2.0692 -2.0692 -1.9025 -1.9025 -1.6670 -1.6670 -1.5910 -1.5910 -1.4081 -1.4081 -0.8612 -0.8612 -0.8190 -0.8190 -0.7972 -0.7972 0.2060 0.2060 0.2826 0.2826 0.3027 0.3027 0.3796 0.3796 0.5864 0.5864 0.6548 0.6548 0.9683 0.9683 1.0080 1.0080 1.0269 1.0269 5.4627 5.4627 5.5325 5.5325 5.5789 5.5789 8.3906 8.3906 8.8976 8.8976 10.3054 10.3054 10.3183 10.3183 10.3499 10.3499 k = 0.5962-0.1221 0.4082 ( 14953 PWs) bands (ev): -67.7834 -67.7834 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.4956 -19.4956 -18.9016 -18.9016 -18.8940 -18.8940 -18.6054 -18.6054 -18.5786 -18.5786 -18.5732 -18.5732 -14.8799 -14.8799 -14.8737 -14.8737 -3.7889 -3.7889 -3.7202 -3.7202 -2.6750 -2.6750 -2.5926 -2.5926 -2.5028 -2.5028 -2.1997 -2.1997 -2.1237 -2.1237 -2.0662 -2.0662 -1.9148 -1.9148 -1.6688 -1.6688 -1.5818 -1.5818 -1.4066 -1.4066 -0.8587 -0.8587 -0.8217 -0.8217 -0.8032 -0.8032 0.2004 0.2004 0.2825 0.2825 0.3035 0.3035 0.3683 0.3683 0.5954 0.5954 0.6587 0.6587 0.9676 0.9676 1.0076 1.0076 1.0272 1.0272 5.4595 5.4595 5.5348 5.5348 5.5805 5.5805 8.3744 8.3744 8.9060 8.9060 10.2604 10.2604 10.2790 10.2790 10.3575 10.3575 k = 0.5865-0.1388 0.4082 ( 14955 PWs) bands (ev): -67.7835 -67.7835 -39.9786 -39.9786 -39.0184 -39.0184 -39.0181 -39.0181 -19.4955 -19.4955 -18.9019 -18.9019 -18.8938 -18.8938 -18.6055 -18.6055 -18.5786 -18.5786 -18.5732 -18.5732 -14.8803 -14.8803 -14.8734 -14.8734 -3.7902 -3.7902 -3.7187 -3.7187 -2.6693 -2.6693 -2.5963 -2.5963 -2.5057 -2.5057 -2.1912 -2.1912 -2.1240 -2.1240 -2.0646 -2.0646 -1.9262 -1.9262 -1.6706 -1.6706 -1.5722 -1.5722 -1.4039 -1.4039 -0.8565 -0.8565 -0.8245 -0.8245 -0.8083 -0.8083 0.1950 0.1950 0.2824 0.2824 0.3042 0.3042 0.3577 0.3577 0.6037 0.6037 0.6628 0.6628 0.9670 0.9670 1.0074 1.0074 1.0274 1.0274 5.4574 5.4574 5.5364 5.5364 5.5817 5.5817 8.3590 8.3590 8.9127 8.9127 10.2186 10.2186 10.2435 10.2435 10.3598 10.3598 k = 0.5769-0.1554 0.4082 ( 14972 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4955 -19.4955 -18.9021 -18.9021 -18.8936 -18.8936 -18.6055 -18.6055 -18.5785 -18.5785 -18.5733 -18.5733 -14.8807 -14.8807 -14.8731 -14.8731 -3.7915 -3.7915 -3.7174 -3.7174 -2.6644 -2.6644 -2.6002 -2.6002 -2.5079 -2.5079 -2.1830 -2.1830 -2.1242 -2.1242 -2.0641 -2.0641 -1.9370 -1.9370 -1.6724 -1.6724 -1.5631 -1.5631 -1.4000 -1.4000 -0.8546 -0.8546 -0.8274 -0.8274 -0.8124 -0.8124 0.1900 0.1900 0.2822 0.2822 0.3047 0.3047 0.3477 0.3477 0.6110 0.6110 0.6670 0.6670 0.9664 0.9664 1.0071 1.0071 1.0277 1.0277 5.4530 5.4530 5.5369 5.5369 5.5818 5.5818 8.3443 8.3443 8.9197 8.9197 10.1804 10.1804 10.2117 10.2117 10.3582 10.3582 k = 0.5673-0.1721 0.4082 ( 14980 PWs) bands (ev): -67.7841 -67.7841 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4955 -19.4955 -18.9023 -18.9023 -18.8934 -18.8934 -18.6056 -18.6056 -18.5785 -18.5785 -18.5732 -18.5732 -14.8810 -14.8810 -14.8728 -14.8728 -3.7928 -3.7928 -3.7164 -3.7164 -2.6600 -2.6600 -2.6045 -2.6045 -2.5093 -2.5093 -2.1751 -2.1751 -2.1246 -2.1246 -2.0642 -2.0642 -1.9469 -1.9469 -1.6740 -1.6740 -1.5548 -1.5548 -1.3951 -1.3951 -0.8531 -0.8531 -0.8305 -0.8305 -0.8155 -0.8155 0.1854 0.1854 0.2820 0.2820 0.3052 0.3052 0.3386 0.3386 0.6173 0.6173 0.6714 0.6714 0.9659 0.9659 1.0068 1.0068 1.0280 1.0280 5.4502 5.4502 5.5380 5.5380 5.5826 5.5826 8.3317 8.3317 8.9251 8.9251 10.1462 10.1462 10.1835 10.1835 10.3548 10.3548 k = 0.5577-0.1887 0.4082 ( 14988 PWs) bands (ev): -67.7843 -67.7843 -39.9788 -39.9788 -39.0185 -39.0185 -39.0183 -39.0183 -19.4954 -19.4954 -18.9024 -18.9024 -18.8933 -18.8933 -18.6056 -18.6056 -18.5785 -18.5785 -18.5732 -18.5732 -14.8812 -14.8812 -14.8726 -14.8726 -3.7940 -3.7940 -3.7156 -3.7156 -2.6561 -2.6561 -2.6088 -2.6088 -2.5102 -2.5102 -2.1676 -2.1676 -2.1252 -2.1252 -2.0647 -2.0647 -1.9559 -1.9559 -1.6754 -1.6754 -1.5475 -1.5475 -1.3896 -1.3896 -0.8521 -0.8521 -0.8335 -0.8335 -0.8177 -0.8177 0.1812 0.1812 0.2817 0.2817 0.3056 0.3056 0.3304 0.3304 0.6225 0.6225 0.6757 0.6757 0.9654 0.9654 1.0066 1.0066 1.0283 1.0283 5.4474 5.4474 5.5388 5.5388 5.5833 5.5833 8.3208 8.3208 8.9299 8.9299 10.1161 10.1161 10.1590 10.1590 10.3504 10.3504 k = 0.5481-0.2054 0.4082 ( 14966 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0184 -39.0184 -39.0182 -39.0182 -19.4954 -19.4954 -18.9025 -18.9025 -18.8931 -18.8931 -18.6057 -18.6057 -18.5786 -18.5786 -18.5732 -18.5732 -14.8814 -14.8814 -14.8724 -14.8724 -3.7950 -3.7950 -3.7150 -3.7150 -2.6526 -2.6526 -2.6133 -2.6133 -2.5105 -2.5105 -2.1604 -2.1604 -2.1256 -2.1256 -2.0653 -2.0653 -1.9639 -1.9639 -1.6765 -1.6765 -1.5415 -1.5415 -1.3838 -1.3838 -0.8515 -0.8515 -0.8361 -0.8361 -0.8193 -0.8193 0.1776 0.1776 0.2813 0.2813 0.3059 0.3059 0.3234 0.3234 0.6267 0.6267 0.6799 0.6799 0.9650 0.9650 1.0064 1.0064 1.0285 1.0285 5.4454 5.4454 5.5415 5.5415 5.5857 5.5857 8.3115 8.3115 8.9384 8.9384 10.0904 10.0904 10.1382 10.1382 10.3459 10.3459 k = 0.5385-0.2221 0.4082 ( 14970 PWs) bands (ev): -67.7838 -67.7838 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9027 -18.9027 -18.8930 -18.8930 -18.6057 -18.6057 -18.5786 -18.5786 -18.5731 -18.5731 -14.8816 -14.8816 -14.8723 -14.8723 -3.7960 -3.7960 -3.7146 -3.7146 -2.6493 -2.6493 -2.6178 -2.6178 -2.5105 -2.5105 -2.1539 -2.1539 -2.1267 -2.1267 -2.0660 -2.0660 -1.9707 -1.9707 -1.6774 -1.6774 -1.5368 -1.5368 -1.3783 -1.3783 -0.8515 -0.8515 -0.8381 -0.8381 -0.8203 -0.8203 0.1745 0.1745 0.2810 0.2810 0.3062 0.3062 0.3176 0.3176 0.6299 0.6299 0.6836 0.6836 0.9646 0.9646 1.0062 1.0062 1.0287 1.0287 5.4445 5.4445 5.5419 5.5419 5.5860 5.5860 8.3034 8.3034 8.9419 8.9419 10.0691 10.0691 10.1212 10.1212 10.3414 10.3414 k = 0.5288-0.2387 0.4082 ( 14966 PWs) bands (ev): -67.7837 -67.7837 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9027 -18.9027 -18.8929 -18.8929 -18.6057 -18.6057 -18.5786 -18.5786 -18.5731 -18.5731 -14.8817 -14.8817 -14.8721 -14.8721 -3.7967 -3.7967 -3.7143 -3.7143 -2.6460 -2.6460 -2.6221 -2.6221 -2.5104 -2.5104 -2.1482 -2.1482 -2.1280 -2.1280 -2.0666 -2.0666 -1.9762 -1.9762 -1.6782 -1.6782 -1.5332 -1.5332 -1.3735 -1.3735 -0.8518 -0.8518 -0.8395 -0.8395 -0.8210 -0.8210 0.1721 0.1721 0.2806 0.2806 0.3064 0.3064 0.3130 0.3130 0.6324 0.6324 0.6867 0.6867 0.9644 0.9644 1.0061 1.0061 1.0289 1.0289 5.4445 5.4445 5.5424 5.5424 5.5864 5.5864 8.2974 8.2974 8.9451 8.9451 10.0525 10.0525 10.1079 10.1079 10.3378 10.3378 k = 0.5192-0.2554 0.4082 ( 14976 PWs) bands (ev): -67.7839 -67.7839 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9028 -18.9028 -18.8928 -18.8928 -18.6057 -18.6057 -18.5786 -18.5786 -18.5730 -18.5730 -14.8818 -14.8818 -14.8720 -14.8720 -3.7973 -3.7973 -3.7141 -3.7141 -2.6429 -2.6429 -2.6261 -2.6261 -2.5102 -2.5102 -2.1433 -2.1433 -2.1296 -2.1296 -2.0671 -2.0671 -1.9805 -1.9805 -1.6787 -1.6787 -1.5308 -1.5308 -1.3698 -1.3698 -0.8522 -0.8522 -0.8404 -0.8404 -0.8215 -0.8215 0.1703 0.1703 0.2802 0.2802 0.3066 0.3066 0.3098 0.3098 0.6340 0.6340 0.6890 0.6890 0.9642 0.9642 1.0060 1.0060 1.0290 1.0290 5.4425 5.4425 5.5424 5.5424 5.5865 5.5865 8.2925 8.2925 8.9469 8.9469 10.0405 10.0405 10.0984 10.0984 10.3348 10.3348 k = 0.5096-0.2720 0.4082 ( 14964 PWs) bands (ev): -67.7836 -67.7836 -39.9787 -39.9787 -39.0184 -39.0184 -39.0182 -39.0182 -19.4954 -19.4954 -18.9028 -18.9028 -18.8928 -18.8928 -18.6058 -18.6058 -18.5786 -18.5786 -18.5730 -18.5730 -14.8819 -14.8819 -14.8720 -14.8720 -3.7976 -3.7976 -3.7139 -3.7139 -2.6400 -2.6400 -2.6296 -2.6296 -2.5100 -2.5100 -2.1393 -2.1393 -2.1313 -2.1313 -2.0673 -2.0673 -1.9830 -1.9830 -1.6790 -1.6790 -1.5293 -1.5293 -1.3674 -1.3674 -0.8526 -0.8526 -0.8409 -0.8409 -0.8217 -0.8217 0.1693 0.1693 0.2800 0.2800 0.3066 0.3066 0.3079 0.3079 0.6350 0.6350 0.6905 0.6905 0.9641 0.9641 1.0059 1.0059 1.0291 1.0291 5.4423 5.4423 5.5434 5.5434 5.5874 5.5874 8.2904 8.2904 8.9497 8.9497 10.0333 10.0333 10.0927 10.0927 10.3333 10.3333 k = 0.5000-0.2887 0.4082 ( 14980 PWs) bands (ev): -67.7840 -67.7840 -39.9787 -39.9787 -39.0185 -39.0185 -39.0182 -39.0182 -19.4954 -19.4954 -18.9029 -18.9029 -18.8928 -18.8928 -18.6058 -18.6058 -18.5786 -18.5786 -18.5730 -18.5730 -14.8819 -14.8819 -14.8720 -14.8720 -3.7977 -3.7977 -3.7139 -3.7139 -2.6385 -2.6385 -2.6314 -2.6314 -2.5100 -2.5100 -2.1375 -2.1375 -2.1325 -2.1325 -2.0675 -2.0675 -1.9840 -1.9840 -1.6791 -1.6791 -1.5289 -1.5289 -1.3667 -1.3667 -0.8527 -0.8527 -0.8410 -0.8410 -0.8218 -0.8218 0.1689 0.1689 0.2799 0.2799 0.3067 0.3067 0.3072 0.3072 0.6353 0.6353 0.6910 0.6910 0.9640 0.9640 1.0059 1.0059 1.0291 1.0291 5.4411 5.4411 5.5429 5.5429 5.5868 5.5868 8.2884 8.2884 8.9492 8.9492 10.0309 10.0309 10.0908 10.0908 10.3322 10.3322 Writing output data file Cs2CrF6.save init_run : 0.42s CPU 0.62s WALL ( 1 calls) electrons : 518.46s CPU 529.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 518.45s CPU 529.25s 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 : 0.18s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.29s WALL ( 239 calls) cegterg : 479.60s CPU 488.63s WALL ( 411 calls) Called by sum_band: Called by *egterg: h_psi : 297.06s CPU 299.30s WALL ( 6306 calls) s_psi : 15.02s CPU 14.90s WALL ( 6306 calls) g_psi : 1.08s CPU 1.03s WALL ( 5656 calls) cdiaghg : 112.58s CPU 113.98s WALL ( 5895 calls) cegterg:over : 31.98s CPU 31.92s WALL ( 5656 calls) cegterg:upda : 29.08s CPU 29.20s WALL ( 5656 calls) cegterg:last : 14.13s CPU 14.08s WALL ( 889 calls) cdiaghg:chol : 6.85s CPU 6.83s WALL ( 5895 calls) cdiaghg:inve : 4.82s CPU 5.01s WALL ( 5895 calls) cdiaghg:para : 9.19s CPU 9.36s WALL ( 11790 calls) Called by h_psi: h_psi:vloc : 247.71s CPU 249.58s WALL ( 6306 calls) h_psi:vnl : 48.25s CPU 48.45s WALL ( 6306 calls) add_vuspsi : 26.96s CPU 26.98s WALL ( 6306 calls) General routines calbec : 21.28s CPU 21.44s WALL ( 6306 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 234.00s CPU 235.61s WALL ( 995712 calls) davcio : 0.30s CPU 0.49s WALL ( 478 calls) Parallel routines fft_scatter : 71.63s CPU 71.95s WALL ( 995727 calls) PWSCF : 9m23.15s CPU 9m57.99s WALL This run was terminated on: 17:36:40 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=