Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 2:47:42 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Rb2PtI6.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 93 35 9 5025 1162 168 Max 94 36 10 5029 1190 174 Sum 6697 2527 703 361923 84379 12339 bravais-lattice index = 14 lattice parameter (alat) = 14.9886 a.u. unit-cell volume = 2381.0399 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 70.00 number of Kohn-Sham states= 84 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.988582 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 I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 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 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential I 7.00 126.90450 I( 1.00) Pt 10.00 195.08400 Pt( 1.00) Rb 9.00 85.46780 Rb( 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= 195 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 2) = ( 0.0172414 -0.0099543 0.0140775), wk = 0.0051282 k( 3) = ( 0.0344828 -0.0199086 0.0281551), wk = 0.0051282 k( 4) = ( 0.0517241 -0.0298629 0.0422326), wk = 0.0051282 k( 5) = ( 0.0689655 -0.0398173 0.0563101), wk = 0.0051282 k( 6) = ( 0.0862069 -0.0497716 0.0703876), wk = 0.0051282 k( 7) = ( 0.1034483 -0.0597259 0.0844652), wk = 0.0051282 k( 8) = ( 0.1206897 -0.0696802 0.0985427), wk = 0.0051282 k( 9) = ( 0.1379310 -0.0796345 0.1126202), wk = 0.0051282 k( 10) = ( 0.1551724 -0.0895888 0.1266977), wk = 0.0051282 k( 11) = ( 0.1724138 -0.0995431 0.1407753), wk = 0.0051282 k( 12) = ( 0.1896552 -0.1094975 0.1548528), wk = 0.0051282 k( 13) = ( 0.2068966 -0.1194518 0.1689303), wk = 0.0051282 k( 14) = ( 0.2241379 -0.1294061 0.1830079), wk = 0.0051282 k( 15) = ( 0.2413793 -0.1393604 0.1970854), wk = 0.0051282 k( 16) = ( 0.2586207 -0.1493147 0.2111629), wk = 0.0051282 k( 17) = ( 0.2758621 -0.1592690 0.2252404), wk = 0.0051282 k( 18) = ( 0.2931034 -0.1692234 0.2393180), wk = 0.0051282 k( 19) = ( 0.3103448 -0.1791777 0.2533955), wk = 0.0051282 k( 20) = ( 0.3275862 -0.1891320 0.2674730), wk = 0.0051282 k( 21) = ( 0.3448276 -0.1990863 0.2815505), wk = 0.0051282 k( 22) = ( 0.3620690 -0.2090406 0.2956281), wk = 0.0051282 k( 23) = ( 0.3793103 -0.2189949 0.3097056), wk = 0.0051282 k( 24) = ( 0.3965517 -0.2289492 0.3237831), wk = 0.0051282 k( 25) = ( 0.4137931 -0.2389036 0.3378607), wk = 0.0051282 k( 26) = ( 0.4310345 -0.2488579 0.3519382), wk = 0.0051282 k( 27) = ( 0.4482759 -0.2588122 0.3660157), wk = 0.0051282 k( 28) = ( 0.4655172 -0.2687665 0.3800932), wk = 0.0051282 k( 29) = ( 0.4827586 -0.2787208 0.3941708), wk = 0.0051282 k( 30) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0051282 k( 31) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0051282 k( 32) = ( 0.5000000 -0.2694301 0.4218566), wk = 0.0051282 k( 33) = ( 0.5000000 -0.2501851 0.4354648), wk = 0.0051282 k( 34) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0051282 k( 35) = ( 0.5000000 -0.2116951 0.4626814), wk = 0.0051282 k( 36) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0051282 k( 37) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0051282 k( 38) = ( 0.5000000 -0.1539601 0.5035062), wk = 0.0051282 k( 39) = ( 0.5000000 -0.1347151 0.5171145), wk = 0.0051282 k( 40) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0051282 k( 41) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0051282 k( 42) = ( 0.5000000 -0.0769800 0.5579393), wk = 0.0051282 k( 43) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0051282 k( 44) = ( 0.5000000 -0.0384900 0.5851559), wk = 0.0051282 k( 45) = ( 0.5000000 -0.0192450 0.5987642), wk = 0.0051282 k( 46) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0051282 k( 47) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0051282 k( 48) = ( 0.4875000 0.0216506 0.6123724), wk = 0.0051282 k( 49) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0051282 k( 50) = ( 0.4625000 0.0649519 0.6123724), wk = 0.0051282 k( 51) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0051282 k( 52) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0051282 k( 53) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0051282 k( 54) = ( 0.4125000 0.1515544 0.6123724), wk = 0.0051282 k( 55) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0051282 k( 56) = ( 0.3875000 0.1948557 0.6123724), wk = 0.0051282 k( 57) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0051282 k( 58) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0051282 k( 59) = ( 0.3625000 0.2092895 0.5919600), wk = 0.0051282 k( 60) = ( 0.3500000 0.2020726 0.5715476), wk = 0.0051282 k( 61) = ( 0.3375000 0.1948557 0.5511352), wk = 0.0051282 k( 62) = ( 0.3250000 0.1876388 0.5307228), wk = 0.0051282 k( 63) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0051282 k( 64) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0051282 k( 65) = ( 0.2875000 0.1659882 0.4694855), wk = 0.0051282 k( 66) = ( 0.2750000 0.1587713 0.4490731), wk = 0.0051282 k( 67) = ( 0.2625000 0.1515544 0.4286607), wk = 0.0051282 k( 68) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0051282 k( 69) = ( 0.2375000 0.1371207 0.3878359), wk = 0.0051282 k( 70) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0051282 k( 71) = ( 0.2125000 0.1226869 0.3470110), wk = 0.0051282 k( 72) = ( 0.2000000 0.1154701 0.3265986), wk = 0.0051282 k( 73) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0051282 k( 74) = ( 0.1750000 0.1010363 0.2857738), wk = 0.0051282 k( 75) = ( 0.1625000 0.0938194 0.2653614), wk = 0.0051282 k( 76) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0051282 k( 77) = ( 0.1375000 0.0793857 0.2245366), wk = 0.0051282 k( 78) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0051282 k( 79) = ( 0.1125000 0.0649519 0.1837117), wk = 0.0051282 k( 80) = ( 0.1000000 0.0577350 0.1632993), wk = 0.0051282 k( 81) = ( 0.0875000 0.0505181 0.1428869), wk = 0.0051282 k( 82) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0051282 k( 83) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0051282 k( 84) = ( 0.0500000 0.0288675 0.0816497), wk = 0.0051282 k( 85) = ( 0.0375000 0.0216506 0.0612372), wk = 0.0051282 k( 86) = ( 0.0250000 0.0144338 0.0408248), wk = 0.0051282 k( 87) = ( 0.0125000 0.0072169 0.0204124), wk = 0.0051282 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 90) = ( 0.0200000 0.0115470 0.0081650), wk = 0.0051282 k( 91) = ( 0.0400000 0.0230940 0.0163299), wk = 0.0051282 k( 92) = ( 0.0600000 0.0346410 0.0244949), wk = 0.0051282 k( 93) = ( 0.0800000 0.0461880 0.0326599), wk = 0.0051282 k( 94) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0051282 k( 95) = ( 0.1200000 0.0692820 0.0489898), wk = 0.0051282 k( 96) = ( 0.1400000 0.0808290 0.0571548), wk = 0.0051282 k( 97) = ( 0.1600000 0.0923760 0.0653197), wk = 0.0051282 k( 98) = ( 0.1800000 0.1039230 0.0734847), wk = 0.0051282 k( 99) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0051282 k( 100) = ( 0.2200000 0.1270171 0.0898146), wk = 0.0051282 k( 101) = ( 0.2400000 0.1385641 0.0979796), wk = 0.0051282 k( 102) = ( 0.2600000 0.1501111 0.1061446), wk = 0.0051282 k( 103) = ( 0.2800000 0.1616581 0.1143095), wk = 0.0051282 k( 104) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0051282 k( 105) = ( 0.3200000 0.1847521 0.1306395), wk = 0.0051282 k( 106) = ( 0.3400000 0.1962991 0.1388044), wk = 0.0051282 k( 107) = ( 0.3600000 0.2078461 0.1469694), wk = 0.0051282 k( 108) = ( 0.3800000 0.2193931 0.1551344), wk = 0.0051282 k( 109) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0051282 k( 110) = ( 0.4200000 0.2424871 0.1714643), wk = 0.0051282 k( 111) = ( 0.4400000 0.2540341 0.1796292), wk = 0.0051282 k( 112) = ( 0.4600000 0.2655811 0.1877942), wk = 0.0051282 k( 113) = ( 0.4800000 0.2771281 0.1959592), wk = 0.0051282 k( 114) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0051282 k( 115) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0051282 k( 116) = ( 0.5069444 0.2686283 0.2154644), wk = 0.0051282 k( 117) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0051282 k( 118) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0051282 k( 119) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0051282 k( 120) = ( 0.5347222 0.1884407 0.2608253), wk = 0.0051282 k( 121) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0051282 k( 122) = ( 0.5486111 0.1483469 0.2835058), wk = 0.0051282 k( 123) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0051282 k( 124) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0051282 k( 125) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0051282 k( 126) = ( 0.5763889 0.0681594 0.3288667), wk = 0.0051282 k( 127) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0051282 k( 128) = ( 0.5902778 0.0280656 0.3515471), wk = 0.0051282 k( 129) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0051282 k( 130) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0051282 k( 131) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0051282 k( 132) = ( 0.6180556 -0.0521219 0.3969081), wk = 0.0051282 k( 133) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0051282 k( 134) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0051282 k( 135) = ( 0.6125000 -0.0649519 0.4286607), wk = 0.0051282 k( 136) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0051282 k( 137) = ( 0.5875000 -0.0505181 0.4694855), wk = 0.0051282 k( 138) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0051282 k( 139) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0051282 k( 140) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0051282 k( 141) = ( 0.5375000 -0.0216506 0.5511352), wk = 0.0051282 k( 142) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0051282 k( 143) = ( 0.5125000 -0.0072169 0.5919600), wk = 0.0051282 k( 144) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0051282 k( 145) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0051282 k( 146) = ( 0.5000000 0.0144338 0.5919600), wk = 0.0051282 k( 147) = ( 0.5000000 0.0288675 0.5715476), wk = 0.0051282 k( 148) = ( 0.5000000 0.0433013 0.5511352), wk = 0.0051282 k( 149) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0051282 k( 150) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0051282 k( 151) = ( 0.5000000 0.0866025 0.4898979), wk = 0.0051282 k( 152) = ( 0.5000000 0.1010363 0.4694855), wk = 0.0051282 k( 153) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0051282 k( 154) = ( 0.5000000 0.1299038 0.4286607), wk = 0.0051282 k( 155) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0051282 k( 156) = ( 0.5000000 0.1587713 0.3878359), wk = 0.0051282 k( 157) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0051282 k( 158) = ( 0.5000000 0.1876388 0.3470110), wk = 0.0051282 k( 159) = ( 0.5000000 0.2020726 0.3265986), wk = 0.0051282 k( 160) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0051282 k( 161) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0051282 k( 162) = ( 0.5000000 0.2453739 0.2653614), wk = 0.0051282 k( 163) = ( 0.5000000 0.2598076 0.2449490), wk = 0.0051282 k( 164) = ( 0.5000000 0.2742414 0.2245366), wk = 0.0051282 k( 165) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0051282 k( 166) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0051282 k( 167) = ( 0.4930556 0.2846658 0.2268046), wk = 0.0051282 k( 168) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0051282 k( 169) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0051282 k( 170) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0051282 k( 171) = ( 0.4652778 0.2686283 0.3175264), wk = 0.0051282 k( 172) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0051282 k( 173) = ( 0.4513889 0.2606095 0.3628874), wk = 0.0051282 k( 174) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0051282 k( 175) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0051282 k( 176) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0051282 k( 177) = ( 0.4236111 0.2445720 0.4536092), wk = 0.0051282 k( 178) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0051282 k( 179) = ( 0.4097222 0.2365532 0.4989701), wk = 0.0051282 k( 180) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0051282 k( 181) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0051282 k( 182) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0051282 k( 183) = ( 0.3819444 0.2205157 0.5896920), wk = 0.0051282 k( 184) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0051282 k( 185) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0051282 k( 186) = ( 0.6125000 -0.0938194 0.4082483), wk = 0.0051282 k( 187) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0051282 k( 188) = ( 0.5875000 -0.1371207 0.4082483), wk = 0.0051282 k( 189) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0051282 k( 190) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0051282 k( 191) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0051282 k( 192) = ( 0.5375000 -0.2237232 0.4082483), wk = 0.0051282 k( 193) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0051282 k( 194) = ( 0.5125000 -0.2670245 0.4082483), wk = 0.0051282 k( 195) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0051282 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 2) = ( 0.0172414 0.0000000 0.0172414), wk = 0.0051282 k( 3) = ( 0.0344828 0.0000000 0.0344828), wk = 0.0051282 k( 4) = ( 0.0517241 0.0000000 0.0517241), wk = 0.0051282 k( 5) = ( 0.0689655 0.0000000 0.0689655), wk = 0.0051282 k( 6) = ( 0.0862069 0.0000000 0.0862069), wk = 0.0051282 k( 7) = ( 0.1034483 0.0000000 0.1034483), wk = 0.0051282 k( 8) = ( 0.1206897 0.0000000 0.1206897), wk = 0.0051282 k( 9) = ( 0.1379310 0.0000000 0.1379310), wk = 0.0051282 k( 10) = ( 0.1551724 0.0000000 0.1551724), wk = 0.0051282 k( 11) = ( 0.1724138 0.0000000 0.1724138), wk = 0.0051282 k( 12) = ( 0.1896552 0.0000000 0.1896552), wk = 0.0051282 k( 13) = ( 0.2068966 0.0000000 0.2068966), wk = 0.0051282 k( 14) = ( 0.2241379 0.0000000 0.2241379), wk = 0.0051282 k( 15) = ( 0.2413793 0.0000000 0.2413793), wk = 0.0051282 k( 16) = ( 0.2586207 0.0000000 0.2586207), wk = 0.0051282 k( 17) = ( 0.2758621 0.0000000 0.2758621), wk = 0.0051282 k( 18) = ( 0.2931034 0.0000000 0.2931034), wk = 0.0051282 k( 19) = ( 0.3103448 0.0000000 0.3103448), wk = 0.0051282 k( 20) = ( 0.3275862 0.0000000 0.3275862), wk = 0.0051282 k( 21) = ( 0.3448276 0.0000000 0.3448276), wk = 0.0051282 k( 22) = ( 0.3620690 0.0000000 0.3620690), wk = 0.0051282 k( 23) = ( 0.3793103 0.0000000 0.3793103), wk = 0.0051282 k( 24) = ( 0.3965517 0.0000000 0.3965517), wk = 0.0051282 k( 25) = ( 0.4137931 0.0000000 0.4137931), wk = 0.0051282 k( 26) = ( 0.4310345 0.0000000 0.4310345), wk = 0.0051282 k( 27) = ( 0.4482759 0.0000000 0.4482759), wk = 0.0051282 k( 28) = ( 0.4655172 0.0000000 0.4655172), wk = 0.0051282 k( 29) = ( 0.4827586 0.0000000 0.4827586), wk = 0.0051282 k( 30) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0051282 k( 31) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0051282 k( 32) = ( 0.5000000 0.0166667 0.5166667), wk = 0.0051282 k( 33) = ( 0.5000000 0.0333333 0.5333333), wk = 0.0051282 k( 34) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0051282 k( 35) = ( 0.5000000 0.0666667 0.5666667), wk = 0.0051282 k( 36) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0051282 k( 37) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0051282 k( 38) = ( 0.5000000 0.1166667 0.6166667), wk = 0.0051282 k( 39) = ( 0.5000000 0.1333333 0.6333333), wk = 0.0051282 k( 40) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0051282 k( 41) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0051282 k( 42) = ( 0.5000000 0.1833333 0.6833333), wk = 0.0051282 k( 43) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0051282 k( 44) = ( 0.5000000 0.2166667 0.7166667), wk = 0.0051282 k( 45) = ( 0.5000000 0.2333333 0.7333333), wk = 0.0051282 k( 46) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0051282 k( 47) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0051282 k( 48) = ( 0.4875000 0.2625000 0.7500000), wk = 0.0051282 k( 49) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0051282 k( 50) = ( 0.4625000 0.2875000 0.7500000), wk = 0.0051282 k( 51) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0051282 k( 52) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0051282 k( 53) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0051282 k( 54) = ( 0.4125000 0.3375000 0.7500000), wk = 0.0051282 k( 55) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0051282 k( 56) = ( 0.3875000 0.3625000 0.7500000), wk = 0.0051282 k( 57) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0051282 k( 58) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0051282 k( 59) = ( 0.3625000 0.3625000 0.7250000), wk = 0.0051282 k( 60) = ( 0.3500000 0.3500000 0.7000000), wk = 0.0051282 k( 61) = ( 0.3375000 0.3375000 0.6750000), wk = 0.0051282 k( 62) = ( 0.3250000 0.3250000 0.6500000), wk = 0.0051282 k( 63) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0051282 k( 64) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0051282 k( 65) = ( 0.2875000 0.2875000 0.5750000), wk = 0.0051282 k( 66) = ( 0.2750000 0.2750000 0.5500000), wk = 0.0051282 k( 67) = ( 0.2625000 0.2625000 0.5250000), wk = 0.0051282 k( 68) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0051282 k( 69) = ( 0.2375000 0.2375000 0.4750000), wk = 0.0051282 k( 70) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0051282 k( 71) = ( 0.2125000 0.2125000 0.4250000), wk = 0.0051282 k( 72) = ( 0.2000000 0.2000000 0.4000000), wk = 0.0051282 k( 73) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0051282 k( 74) = ( 0.1750000 0.1750000 0.3500000), wk = 0.0051282 k( 75) = ( 0.1625000 0.1625000 0.3250000), wk = 0.0051282 k( 76) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0051282 k( 77) = ( 0.1375000 0.1375000 0.2750000), wk = 0.0051282 k( 78) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0051282 k( 79) = ( 0.1125000 0.1125000 0.2250000), wk = 0.0051282 k( 80) = ( 0.1000000 0.1000000 0.2000000), wk = 0.0051282 k( 81) = ( 0.0875000 0.0875000 0.1750000), wk = 0.0051282 k( 82) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0051282 k( 83) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0051282 k( 84) = ( 0.0500000 0.0500000 0.1000000), wk = 0.0051282 k( 85) = ( 0.0375000 0.0375000 0.0750000), wk = 0.0051282 k( 86) = ( 0.0250000 0.0250000 0.0500000), wk = 0.0051282 k( 87) = ( 0.0125000 0.0125000 0.0250000), wk = 0.0051282 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 90) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0051282 k( 91) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0051282 k( 92) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0051282 k( 93) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0051282 k( 94) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0051282 k( 95) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0051282 k( 96) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0051282 k( 97) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0051282 k( 98) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0051282 k( 99) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0051282 k( 100) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0051282 k( 101) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0051282 k( 102) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0051282 k( 103) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0051282 k( 104) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0051282 k( 105) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0051282 k( 106) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0051282 k( 107) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0051282 k( 108) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0051282 k( 109) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0051282 k( 110) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0051282 k( 111) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0051282 k( 112) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0051282 k( 113) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0051282 k( 114) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051282 k( 115) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051282 k( 116) = ( 0.5069444 0.4861111 0.5069444), wk = 0.0051282 k( 117) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0051282 k( 118) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0051282 k( 119) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0051282 k( 120) = ( 0.5347222 0.4305556 0.5347222), wk = 0.0051282 k( 121) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0051282 k( 122) = ( 0.5486111 0.4027778 0.5486111), wk = 0.0051282 k( 123) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0051282 k( 124) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0051282 k( 125) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0051282 k( 126) = ( 0.5763889 0.3472222 0.5763889), wk = 0.0051282 k( 127) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0051282 k( 128) = ( 0.5902778 0.3194444 0.5902778), wk = 0.0051282 k( 129) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0051282 k( 130) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0051282 k( 131) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0051282 k( 132) = ( 0.6180556 0.2638889 0.6180556), wk = 0.0051282 k( 133) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0051282 k( 134) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0051282 k( 135) = ( 0.6125000 0.2500000 0.6375000), wk = 0.0051282 k( 136) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0051282 k( 137) = ( 0.5875000 0.2500000 0.6625000), wk = 0.0051282 k( 138) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0051282 k( 139) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0051282 k( 140) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0051282 k( 141) = ( 0.5375000 0.2500000 0.7125000), wk = 0.0051282 k( 142) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0051282 k( 143) = ( 0.5125000 0.2500000 0.7375000), wk = 0.0051282 k( 144) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0051282 k( 145) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0051282 k( 146) = ( 0.5000000 0.2625000 0.7375000), wk = 0.0051282 k( 147) = ( 0.5000000 0.2750000 0.7250000), wk = 0.0051282 k( 148) = ( 0.5000000 0.2875000 0.7125000), wk = 0.0051282 k( 149) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0051282 k( 150) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0051282 k( 151) = ( 0.5000000 0.3250000 0.6750000), wk = 0.0051282 k( 152) = ( 0.5000000 0.3375000 0.6625000), wk = 0.0051282 k( 153) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0051282 k( 154) = ( 0.5000000 0.3625000 0.6375000), wk = 0.0051282 k( 155) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0051282 k( 156) = ( 0.5000000 0.3875000 0.6125000), wk = 0.0051282 k( 157) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0051282 k( 158) = ( 0.5000000 0.4125000 0.5875000), wk = 0.0051282 k( 159) = ( 0.5000000 0.4250000 0.5750000), wk = 0.0051282 k( 160) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0051282 k( 161) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0051282 k( 162) = ( 0.5000000 0.4625000 0.5375000), wk = 0.0051282 k( 163) = ( 0.5000000 0.4750000 0.5250000), wk = 0.0051282 k( 164) = ( 0.5000000 0.4875000 0.5125000), wk = 0.0051282 k( 165) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051282 k( 166) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051282 k( 167) = ( 0.4930556 0.4930556 0.5138889), wk = 0.0051282 k( 168) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0051282 k( 169) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0051282 k( 170) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0051282 k( 171) = ( 0.4652778 0.4652778 0.5694444), wk = 0.0051282 k( 172) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0051282 k( 173) = ( 0.4513889 0.4513889 0.5972222), wk = 0.0051282 k( 174) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0051282 k( 175) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0051282 k( 176) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0051282 k( 177) = ( 0.4236111 0.4236111 0.6527778), wk = 0.0051282 k( 178) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0051282 k( 179) = ( 0.4097222 0.4097222 0.6805556), wk = 0.0051282 k( 180) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0051282 k( 181) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0051282 k( 182) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0051282 k( 183) = ( 0.3819444 0.3819444 0.7361111), wk = 0.0051282 k( 184) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0051282 k( 185) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0051282 k( 186) = ( 0.6125000 0.2250000 0.6125000), wk = 0.0051282 k( 187) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0051282 k( 188) = ( 0.5875000 0.1750000 0.5875000), wk = 0.0051282 k( 189) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0051282 k( 190) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0051282 k( 191) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0051282 k( 192) = ( 0.5375000 0.0750000 0.5375000), wk = 0.0051282 k( 193) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0051282 k( 194) = ( 0.5125000 0.0250000 0.5125000), wk = 0.0051282 k( 195) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0051282 Dense grid: 361923 G-vectors FFT dimensions: ( 100, 100, 100) Smooth grid: 84379 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 304, 84) NL pseudopotentials 0.71 Mb ( 152, 306) Each V/rho on FFT grid 0.31 Mb ( 20000) Each G-vector array 0.04 Mb ( 5026) G-vector shells 0.01 Mb ( 1404) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.56 Mb ( 304, 336) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.78 Mb ( 306, 2, 84) The potential is recalculated from file : ./Rb2PtI6.save/charge-density.dat Starting wfc are 98 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.6 secs Computing kpt #: 2 total cpu time spent up to now is 7.8 secs Computing kpt #: 3 total cpu time spent up to now is 10.1 secs Computing kpt #: 4 total cpu time spent up to now is 12.3 secs Computing kpt #: 5 total cpu time spent up to now is 14.4 secs Computing kpt #: 6 total cpu time spent up to now is 16.7 secs Computing kpt #: 7 total cpu time spent up to now is 18.9 secs Computing kpt #: 8 total cpu time spent up to now is 21.1 secs Computing kpt #: 9 total cpu time spent up to now is 23.4 secs Computing kpt #: 10 total cpu time spent up to now is 25.8 secs Computing kpt #: 11 total cpu time spent up to now is 27.9 secs Computing kpt #: 12 total cpu time spent up to now is 30.1 secs Computing kpt #: 13 total cpu time spent up to now is 32.3 secs Computing kpt #: 14 total cpu time spent up to now is 34.6 secs Computing kpt #: 15 total cpu time spent up to now is 36.9 secs Computing kpt #: 16 total cpu time spent up to now is 39.1 secs Computing kpt #: 17 total cpu time spent up to now is 41.4 secs Computing kpt #: 18 total cpu time spent up to now is 43.6 secs Computing kpt #: 19 total cpu time spent up to now is 45.9 secs Computing kpt #: 20 total cpu time spent up to now is 48.1 secs Computing kpt #: 21 total cpu time spent up to now is 50.5 secs Computing kpt #: 22 total cpu time spent up to now is 52.9 secs Computing kpt #: 23 total cpu time spent up to now is 55.5 secs Computing kpt #: 24 total cpu time spent up to now is 58.1 secs Computing kpt #: 25 total cpu time spent up to now is 60.5 secs Computing kpt #: 26 total cpu time spent up to now is 63.0 secs Computing kpt #: 27 total cpu time spent up to now is 65.4 secs Computing kpt #: 28 total cpu time spent up to now is 67.7 secs Computing kpt #: 29 total cpu time spent up to now is 70.2 secs Computing kpt #: 30 total cpu time spent up to now is 72.8 secs Computing kpt #: 31 total cpu time spent up to now is 75.4 secs Computing kpt #: 32 total cpu time spent up to now is 78.0 secs Computing kpt #: 33 total cpu time spent up to now is 80.7 secs Computing kpt #: 34 total cpu time spent up to now is 83.4 secs Computing kpt #: 35 total cpu time spent up to now is 86.5 secs Computing kpt #: 36 total cpu time spent up to now is 89.6 secs Computing kpt #: 37 total cpu time spent up to now is 92.6 secs Computing kpt #: 38 total cpu time spent up to now is 95.2 secs Computing kpt #: 39 total cpu time spent up to now is 98.3 secs Computing kpt #: 40 total cpu time spent up to now is 101.3 secs Computing kpt #: 41 total cpu time spent up to now is 104.3 secs Computing kpt #: 42 total cpu time spent up to now is 107.0 secs Computing kpt #: 43 total cpu time spent up to now is 109.9 secs Computing kpt #: 44 total cpu time spent up to now is 112.3 secs Computing kpt #: 45 total cpu time spent up to now is 114.9 secs Computing kpt #: 46 total cpu time spent up to now is 117.4 secs Computing kpt #: 47 total cpu time spent up to now is 120.0 secs Computing kpt #: 48 total cpu time spent up to now is 122.4 secs Computing kpt #: 49 total cpu time spent up to now is 125.1 secs Computing kpt #: 50 total cpu time spent up to now is 127.9 secs Computing kpt #: 51 total cpu time spent up to now is 130.8 secs Computing kpt #: 52 total cpu time spent up to now is 133.6 secs Computing kpt #: 53 total cpu time spent up to now is 136.6 secs Computing kpt #: 54 total cpu time spent up to now is 139.1 secs Computing kpt #: 55 total cpu time spent up to now is 141.9 secs Computing kpt #: 56 total cpu time spent up to now is 144.6 secs Computing kpt #: 57 total cpu time spent up to now is 147.2 secs Computing kpt #: 58 total cpu time spent up to now is 149.8 secs Computing kpt #: 59 total cpu time spent up to now is 152.7 secs Computing kpt #: 60 total cpu time spent up to now is 155.7 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.4 secs Computing kpt #: 62 total cpu time spent up to now is 164.6 secs Computing kpt #: 63 total cpu time spent up to now is 167.2 secs Computing kpt #: 64 total cpu time spent up to now is 170.0 secs Computing kpt #: 65 total cpu time spent up to now is 172.5 secs Computing kpt #: 66 total cpu time spent up to now is 174.8 secs Computing kpt #: 67 total cpu time spent up to now is 177.1 secs Computing kpt #: 68 total cpu time spent up to now is 179.4 secs Computing kpt #: 69 total cpu time spent up to now is 181.8 secs Computing kpt #: 70 total cpu time spent up to now is 184.0 secs Computing kpt #: 71 total cpu time spent up to now is 186.3 secs Computing kpt #: 72 total cpu time spent up to now is 188.5 secs Computing kpt #: 73 total cpu time spent up to now is 190.7 secs Computing kpt #: 74 total cpu time spent up to now is 192.9 secs Computing kpt #: 75 total cpu time spent up to now is 195.1 secs Computing kpt #: 76 total cpu time spent up to now is 197.4 secs Computing kpt #: 77 total cpu time spent up to now is 199.5 secs Computing kpt #: 78 total cpu time spent up to now is 201.7 secs Computing kpt #: 79 total cpu time spent up to now is 203.8 secs Computing kpt #: 80 total cpu time spent up to now is 206.1 secs Computing kpt #: 81 total cpu time spent up to now is 208.4 secs Computing kpt #: 82 total cpu time spent up to now is 210.5 secs Computing kpt #: 83 total cpu time spent up to now is 212.7 secs Computing kpt #: 84 total cpu time spent up to now is 214.8 secs Computing kpt #: 85 total cpu time spent up to now is 217.0 secs Computing kpt #: 86 total cpu time spent up to now is 219.1 secs Computing kpt #: 87 total cpu time spent up to now is 221.2 secs Computing kpt #: 88 total cpu time spent up to now is 223.4 secs Computing kpt #: 89 total cpu time spent up to now is 225.6 secs Computing kpt #: 90 total cpu time spent up to now is 227.7 secs Computing kpt #: 91 total cpu time spent up to now is 229.9 secs Computing kpt #: 92 total cpu time spent up to now is 232.0 secs Computing kpt #: 93 total cpu time spent up to now is 234.1 secs Computing kpt #: 94 total cpu time spent up to now is 236.1 secs Computing kpt #: 95 total cpu time spent up to now is 238.1 secs Computing kpt #: 96 total cpu time spent up to now is 240.1 secs Computing kpt #: 97 total cpu time spent up to now is 242.1 secs Computing kpt #: 98 total cpu time spent up to now is 244.1 secs Computing kpt #: 99 total cpu time spent up to now is 246.1 secs Computing kpt #: 100 total cpu time spent up to now is 248.2 secs Computing kpt #: 101 total cpu time spent up to now is 250.3 secs Computing kpt #: 102 total cpu time spent up to now is 252.4 secs Computing kpt #: 103 total cpu time spent up to now is 254.4 secs Computing kpt #: 104 total cpu time spent up to now is 256.5 secs Computing kpt #: 105 total cpu time spent up to now is 258.6 secs Computing kpt #: 106 total cpu time spent up to now is 260.8 secs Computing kpt #: 107 total cpu time spent up to now is 262.9 secs Computing kpt #: 108 total cpu time spent up to now is 265.1 secs Computing kpt #: 109 total cpu time spent up to now is 267.2 secs Computing kpt #: 110 total cpu time spent up to now is 269.3 secs Computing kpt #: 111 total cpu time spent up to now is 271.4 secs Computing kpt #: 112 total cpu time spent up to now is 273.7 secs Computing kpt #: 113 total cpu time spent up to now is 278.2 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 283.9 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.4 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 294.9 secs Computing kpt #: 117 total cpu time spent up to now is 299.9 secs Computing kpt #: 118 total cpu time spent up to now is 304.7 secs Computing kpt #: 119 total cpu time spent up to now is 307.8 secs Computing kpt #: 120 total cpu time spent up to now is 310.8 secs Computing kpt #: 121 total cpu time spent up to now is 313.3 secs Computing kpt #: 122 total cpu time spent up to now is 315.7 secs Computing kpt #: 123 total cpu time spent up to now is 318.2 secs Computing kpt #: 124 total cpu time spent up to now is 320.7 secs Computing kpt #: 125 total cpu time spent up to now is 323.3 secs Computing kpt #: 126 total cpu time spent up to now is 325.7 secs Computing kpt #: 127 total cpu time spent up to now is 328.5 secs Computing kpt #: 128 total cpu time spent up to now is 331.6 secs Computing kpt #: 129 total cpu time spent up to now is 334.2 secs Computing kpt #: 130 total cpu time spent up to now is 337.2 secs Computing kpt #: 131 total cpu time spent up to now is 340.1 secs Computing kpt #: 132 total cpu time spent up to now is 343.1 secs Computing kpt #: 133 total cpu time spent up to now is 345.7 secs Computing kpt #: 134 total cpu time spent up to now is 348.3 secs Computing kpt #: 135 total cpu time spent up to now is 351.0 secs Computing kpt #: 136 total cpu time spent up to now is 353.7 secs Computing kpt #: 137 total cpu time spent up to now is 356.2 secs Computing kpt #: 138 total cpu time spent up to now is 359.0 secs Computing kpt #: 139 total cpu time spent up to now is 361.9 secs Computing kpt #: 140 total cpu time spent up to now is 364.5 secs Computing kpt #: 141 total cpu time spent up to now is 367.1 secs Computing kpt #: 142 total cpu time spent up to now is 369.7 secs Computing kpt #: 143 total cpu time spent up to now is 372.2 secs Computing kpt #: 144 total cpu time spent up to now is 374.8 secs Computing kpt #: 145 total cpu time spent up to now is 377.4 secs Computing kpt #: 146 total cpu time spent up to now is 380.0 secs Computing kpt #: 147 total cpu time spent up to now is 382.8 secs Computing kpt #: 148 total cpu time spent up to now is 385.5 secs Computing kpt #: 149 total cpu time spent up to now is 388.5 secs Computing kpt #: 150 total cpu time spent up to now is 391.1 secs Computing kpt #: 151 total cpu time spent up to now is 393.8 secs Computing kpt #: 152 total cpu time spent up to now is 396.8 secs Computing kpt #: 153 total cpu time spent up to now is 399.5 secs Computing kpt #: 154 total cpu time spent up to now is 402.5 secs Computing kpt #: 155 total cpu time spent up to now is 405.1 secs Computing kpt #: 156 total cpu time spent up to now is 407.7 secs Computing kpt #: 157 total cpu time spent up to now is 411.3 secs Computing kpt #: 158 total cpu time spent up to now is 413.7 secs Computing kpt #: 159 total cpu time spent up to now is 416.7 secs Computing kpt #: 160 total cpu time spent up to now is 420.3 secs Computing kpt #: 161 total cpu time spent up to now is 423.0 secs Computing kpt #: 162 total cpu time spent up to now is 427.4 secs Computing kpt #: 163 total cpu time spent up to now is 431.4 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 436.7 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 441.9 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 447.0 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 452.6 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 458.3 secs Computing kpt #: 169 total cpu time spent up to now is 462.1 secs Computing kpt #: 170 total cpu time spent up to now is 465.2 secs Computing kpt #: 171 total cpu time spent up to now is 468.2 secs Computing kpt #: 172 total cpu time spent up to now is 471.2 secs Computing kpt #: 173 total cpu time spent up to now is 474.1 secs Computing kpt #: 174 total cpu time spent up to now is 476.4 secs Computing kpt #: 175 total cpu time spent up to now is 478.8 secs Computing kpt #: 176 total cpu time spent up to now is 481.1 secs Computing kpt #: 177 total cpu time spent up to now is 483.8 secs Computing kpt #: 178 total cpu time spent up to now is 486.4 secs Computing kpt #: 179 total cpu time spent up to now is 489.4 secs Computing kpt #: 180 total cpu time spent up to now is 492.3 secs Computing kpt #: 181 total cpu time spent up to now is 495.2 secs Computing kpt #: 182 total cpu time spent up to now is 498.0 secs Computing kpt #: 183 total cpu time spent up to now is 500.6 secs Computing kpt #: 184 total cpu time spent up to now is 503.2 secs Computing kpt #: 185 total cpu time spent up to now is 505.9 secs Computing kpt #: 186 total cpu time spent up to now is 508.7 secs Computing kpt #: 187 total cpu time spent up to now is 511.3 secs Computing kpt #: 188 total cpu time spent up to now is 513.8 secs Computing kpt #: 189 total cpu time spent up to now is 516.4 secs Computing kpt #: 190 total cpu time spent up to now is 519.0 secs Computing kpt #: 191 total cpu time spent up to now is 521.6 secs Computing kpt #: 192 total cpu time spent up to now is 524.3 secs Computing kpt #: 193 total cpu time spent up to now is 526.8 secs Computing kpt #: 194 total cpu time spent up to now is 529.3 secs Computing kpt #: 195 total cpu time spent up to now is 531.9 secs ethr = 1.43E-08, avg # of iterations = 37.7 total cpu time spent up to now is 531.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10489 PWs) bands (ev): -22.0776 -22.0776 -22.0765 -22.0765 -8.7357 -8.7357 -7.8812 -7.8812 -7.8375 -7.8375 -7.8375 -7.8375 -7.6890 -7.6890 -7.6890 -7.6890 -6.7929 -6.7929 -6.7752 -6.7752 -5.9289 -5.9289 -5.9289 -5.9289 -5.9035 -5.9035 -5.9035 -5.9035 -1.4728 -1.4728 -0.6541 -0.6541 -0.6541 -0.6541 -0.1581 -0.1581 -0.1581 -0.1581 0.2749 0.2749 0.5263 0.5263 0.5263 0.5263 0.7815 0.7815 2.2415 2.2415 2.2415 2.2415 2.6107 2.6107 2.7164 2.7164 2.7164 2.7164 2.7653 2.7653 3.1465 3.1465 3.4452 3.4452 3.8219 3.8219 3.8219 3.8219 4.0438 4.0438 4.0438 4.0438 5.6703 5.6703 5.6703 5.6703 6.6413 6.6413 7.7865 7.7865 7.8921 7.8921 8.5957 8.5957 8.5957 8.5957 k = 0.0172-0.0100 0.0141 ( 10549 PWs) bands (ev): -22.0776 -22.0776 -22.0765 -22.0765 -8.7353 -8.7353 -7.8814 -7.8814 -7.8377 -7.8377 -7.8376 -7.8376 -7.6895 -7.6895 -7.6890 -7.6890 -6.7928 -6.7928 -6.7751 -6.7751 -5.9288 -5.9288 -5.9288 -5.9288 -5.9035 -5.9035 -5.9034 -5.9034 -1.4712 -1.4712 -0.6550 -0.6550 -0.6541 -0.6541 -0.1586 -0.1586 -0.1582 -0.1582 0.2752 0.2752 0.5267 0.5267 0.5281 0.5281 0.7825 0.7825 2.2405 2.2405 2.2410 2.2410 2.6100 2.6100 2.7119 2.7119 2.7166 2.7166 2.7686 2.7686 3.1467 3.1467 3.4435 3.4435 3.8178 3.8178 3.8214 3.8214 4.0411 4.0411 4.0430 4.0430 5.6658 5.6658 5.6701 5.6701 6.6452 6.6452 7.7919 7.7919 7.8953 7.8953 8.5979 8.5979 8.5997 8.5997 k = 0.0345-0.0199 0.0282 ( 10593 PWs) bands (ev): -22.0776 -22.0776 -22.0765 -22.0765 -8.7342 -8.7342 -7.8819 -7.8819 -7.8385 -7.8385 -7.8381 -7.8381 -7.6908 -7.6908 -7.6890 -7.6890 -6.7923 -6.7923 -6.7749 -6.7749 -5.9284 -5.9284 -5.9283 -5.9283 -5.9034 -5.9034 -5.9030 -5.9030 -1.4665 -1.4665 -0.6578 -0.6578 -0.6541 -0.6541 -0.1598 -0.1598 -0.1582 -0.1582 0.2759 0.2759 0.5282 0.5282 0.5335 0.5335 0.7857 0.7857 2.2375 2.2375 2.2396 2.2396 2.6077 2.6077 2.7009 2.7009 2.7169 2.7169 2.7760 2.7760 3.1472 3.1472 3.4386 3.4386 3.8057 3.8057 3.8198 3.8198 4.0328 4.0328 4.0406 4.0406 5.6524 5.6524 5.6695 5.6695 6.6569 6.6569 7.8080 7.8080 7.9047 7.9047 8.6044 8.6044 8.6118 8.6118 k = 0.0517-0.0299 0.0422 ( 10593 PWs) bands (ev): -22.0776 -22.0776 -22.0765 -22.0765 -8.7324 -8.7324 -7.8827 -7.8827 -7.8398 -7.8398 -7.8389 -7.8389 -7.6931 -7.6931 -7.6888 -7.6888 -6.7915 -6.7915 -6.7744 -6.7744 -5.9278 -5.9278 -5.9275 -5.9275 -5.9033 -5.9033 -5.9024 -5.9024 -1.4588 -1.4588 -0.6623 -0.6623 -0.6542 -0.6542 -0.1616 -0.1616 -0.1584 -0.1584 0.2770 0.2770 0.5306 0.5306 0.5422 0.5422 0.7909 0.7909 2.2325 2.2325 2.2373 2.2373 2.6040 2.6040 2.6868 2.6868 2.7176 2.7176 2.7841 2.7841 3.1483 3.1483 3.4303 3.4303 3.7861 3.7861 3.8171 3.8171 4.0192 4.0192 4.0366 4.0366 5.6303 5.6303 5.6686 5.6686 6.6763 6.6763 7.8346 7.8346 7.9204 7.9204 8.6153 8.6153 8.6317 8.6317 k = 0.0690-0.0398 0.0563 ( 10589 PWs) bands (ev): -22.0776 -22.0776 -22.0765 -22.0765 -8.7298 -8.7298 -7.8838 -7.8838 -7.8416 -7.8416 -7.8400 -7.8400 -7.6962 -7.6962 -7.6886 -7.6886 -6.7903 -6.7903 -6.7739 -6.7739 -5.9269 -5.9269 -5.9263 -5.9263 -5.9032 -5.9032 -5.9016 -5.9016 -1.4481 -1.4481 -0.6686 -0.6686 -0.6542 -0.6542 -0.1638 -0.1638 -0.1586 -0.1586 0.2787 0.2787 0.5339 0.5339 0.5541 0.5541 0.7982 0.7982 2.2257 2.2257 2.2343 2.2343 2.5986 2.5986 2.6710 2.6710 2.7185 2.7185 2.7911 2.7911 3.1501 3.1501 3.4186 3.4186 3.7597 3.7597 3.8133 3.8133 4.0003 4.0003 4.0312 4.0312 5.5998 5.5998 5.6673 5.6673 6.7033 6.7033 7.8712 7.8712 7.9422 7.9422 8.6305 8.6305 8.6595 8.6595 k = 0.0862-0.0498 0.0704 ( 10585 PWs) bands (ev): -22.0775 -22.0775 -22.0765 -22.0765 -8.7265 -8.7265 -7.8852 -7.8852 -7.8438 -7.8438 -7.8414 -7.8414 -7.7001 -7.7001 -7.6884 -7.6884 -6.7889 -6.7889 -6.7731 -6.7731 -5.9258 -5.9258 -5.9249 -5.9249 -5.9030 -5.9030 -5.9005 -5.9005 -1.4344 -1.4344 -0.6765 -0.6765 -0.6543 -0.6543 -0.1662 -0.1662 -0.1589 -0.1589 0.2809 0.2809 0.5381 0.5381 0.5688 0.5688 0.8075 0.8075 2.2170 2.2170 2.2305 2.2305 2.5915 2.5915 2.6545 2.6545 2.7198 2.7198 2.7964 2.7964 3.1528 3.1528 3.4035 3.4035 3.7273 3.7273 3.8086 3.8086 3.9764 3.9764 4.0244 4.0244 5.5614 5.5614 5.6658 5.6658 6.7377 6.7377 7.9174 7.9174 7.9702 7.9702 8.6502 8.6502 8.6950 8.6950 k = 0.1034-0.0597 0.0845 ( 10593 PWs) bands (ev): -22.0775 -22.0775 -22.0765 -22.0765 -8.7225 -8.7225 -7.8869 -7.8869 -7.8464 -7.8464 -7.8431 -7.8431 -7.7048 -7.7048 -7.6881 -7.6881 -6.7872 -6.7872 -6.7723 -6.7723 -5.9244 -5.9244 -5.9232 -5.9232 -5.9028 -5.9028 -5.8992 -5.8992 -1.4180 -1.4180 -0.6859 -0.6859 -0.6544 -0.6544 -0.1685 -0.1685 -0.1593 -0.1593 0.2835 0.2835 0.5431 0.5431 0.5859 0.5859 0.8188 0.8188 2.2065 2.2065 2.2261 2.2261 2.5828 2.5828 2.6376 2.6376 2.7214 2.7214 2.7995 2.7995 3.1567 3.1567 3.3849 3.3849 3.6899 3.6899 3.8028 3.8028 3.9478 3.9478 4.0164 4.0164 5.5157 5.5157 5.6640 5.6640 6.7793 6.7793 7.9724 7.9724 8.0041 8.0041 8.6743 8.6743 8.7378 8.7378 k = 0.1207-0.0697 0.0985 ( 10585 PWs) bands (ev): -22.0775 -22.0775 -22.0765 -22.0765 -8.7179 -8.7179 -7.8889 -7.8889 -7.8494 -7.8494 -7.8451 -7.8451 -7.7103 -7.7103 -7.6878 -7.6878 -6.7853 -6.7853 -6.7713 -6.7713 -5.9229 -5.9229 -5.9212 -5.9212 -5.9025 -5.9025 -5.8978 -5.8978 -1.3989 -1.3989 -0.6966 -0.6966 -0.6545 -0.6545 -0.1703 -0.1703 -0.1598 -0.1598 0.2867 0.2867 0.5489 0.5489 0.6051 0.6051 0.8318 0.8318 2.1942 2.1942 2.2212 2.2212 2.5722 2.5722 2.6206 2.6206 2.7234 2.7234 2.8001 2.8001 3.1618 3.1618 3.3628 3.3628 3.6487 3.6487 3.7960 3.7960 3.9146 3.9146 4.0075 4.0075 5.4635 5.4635 5.6619 5.6619 6.8277 6.8277 8.0355 8.0355 8.0438 8.0438 8.7028 8.7028 8.7878 8.7878 k = 0.1379-0.0796 0.1126 ( 10577 PWs) bands (ev): -22.0775 -22.0775 -22.0765 -22.0765 -8.7126 -8.7126 -7.8912 -7.8912 -7.8526 -7.8526 -7.8472 -7.8472 -7.7166 -7.7166 -7.6874 -7.6874 -6.7831 -6.7831 -6.7702 -6.7702 -5.9211 -5.9211 -5.9190 -5.9190 -5.9022 -5.9022 -5.8962 -5.8962 -1.3774 -1.3774 -0.7085 -0.7085 -0.6546 -0.6546 -0.1716 -0.1716 -0.1605 -0.1605 0.2904 0.2904 0.5553 0.5553 0.6259 0.6259 0.8466 0.8466 2.1804 2.1804 2.2159 2.2159 2.5599 2.5599 2.6037 2.6037 2.7258 2.7258 2.7982 2.7982 3.1684 3.1684 3.3372 3.3372 3.6046 3.6046 3.7882 3.7882 3.8774 3.8774 3.9980 3.9980 5.4055 5.4055 5.6597 5.6597 6.8825 6.8825 8.0893 8.0893 8.1056 8.1056 8.7358 8.7358 8.8446 8.8446 k = 0.1552-0.0896 0.1267 ( 10577 PWs) bands (ev): -22.0775 -22.0775 -22.0766 -22.0766 -8.7068 -8.7068 -7.8937 -7.8937 -7.8561 -7.8561 -7.8496 -7.8496 -7.7235 -7.7235 -7.6869 -7.6869 -6.7808 -6.7808 -6.7691 -6.7691 -5.9192 -5.9192 -5.9166 -5.9166 -5.9019 -5.9019 -5.8944 -5.8944 -1.3536 -1.3536 -0.7212 -0.7212 -0.6547 -0.6547 -0.1722 -0.1722 -0.1613 -0.1613 0.2946 0.2946 0.5624 0.5624 0.6481 0.6481 0.8629 0.8629 2.1650 2.1650 2.2105 2.2105 2.5458 2.5458 2.5872 2.5872 2.7284 2.7284 2.7939 2.7939 3.1764 3.1764 3.3082 3.3082 3.5587 3.5587 3.7794 3.7794 3.8365 3.8365 3.9880 3.9880 5.3428 5.3428 5.6573 5.6573 6.9435 6.9435 8.1402 8.1402 8.1817 8.1817 8.7732 8.7732 8.9079 8.9079 k = 0.1724-0.0995 0.1408 ( 10561 PWs) bands (ev): -22.0775 -22.0775 -22.0766 -22.0766 -8.7005 -8.7005 -7.8964 -7.8964 -7.8598 -7.8598 -7.8521 -7.8521 -7.7311 -7.7311 -7.6865 -7.6865 -6.7782 -6.7782 -6.7679 -6.7679 -5.9172 -5.9172 -5.9140 -5.9140 -5.9016 -5.9016 -5.8926 -5.8926 -1.3279 -1.3279 -0.7343 -0.7343 -0.6548 -0.6548 -0.1720 -0.1720 -0.1623 -0.1623 0.2994 0.2994 0.5699 0.5699 0.6715 0.6715 0.8806 0.8806 2.1481 2.1481 2.2051 2.2051 2.5300 2.5300 2.5712 2.5712 2.7314 2.7314 2.7872 2.7872 3.1858 3.1858 3.2759 3.2759 3.5120 3.5120 3.7686 3.7686 3.7933 3.7933 3.9779 3.9779 5.2761 5.2761 5.6548 5.6548 7.0102 7.0102 8.1965 8.1965 8.2627 8.2627 8.8151 8.8151 8.9772 8.9772 k = 0.1897-0.1095 0.1549 ( 10537 PWs) bands (ev): -22.0775 -22.0775 -22.0766 -22.0766 -8.6937 -8.6937 -7.8994 -7.8994 -7.8635 -7.8635 -7.8547 -7.8547 -7.7392 -7.7392 -7.6860 -7.6860 -6.7756 -6.7756 -6.7666 -6.7666 -5.9150 -5.9150 -5.9113 -5.9113 -5.9012 -5.9012 -5.8906 -5.8906 -1.3006 -1.3006 -0.7477 -0.7477 -0.6550 -0.6550 -0.1710 -0.1710 -0.1635 -0.1635 0.3046 0.3046 0.5779 0.5779 0.6956 0.6956 0.8994 0.8994 2.1299 2.1299 2.1998 2.1998 2.5126 2.5126 2.5560 2.5560 2.7345 2.7345 2.7786 2.7786 3.1966 3.1966 3.2407 3.2407 3.4653 3.4653 3.7403 3.7403 3.7637 3.7637 3.9679 3.9679 5.2065 5.2065 5.6522 5.6522 7.0822 7.0822 8.2579 8.2579 8.3472 8.3472 8.8614 8.8614 9.0522 9.0522 k = 0.2069-0.1195 0.1689 ( 10526 PWs) bands (ev): -22.0774 -22.0774 -22.0766 -22.0766 -8.6864 -8.6864 -7.9025 -7.9025 -7.8673 -7.8673 -7.8575 -7.8575 -7.7478 -7.7478 -7.6855 -7.6855 -6.7728 -6.7728 -6.7653 -6.7653 -5.9127 -5.9127 -5.9085 -5.9085 -5.9008 -5.9008 -5.8886 -5.8886 -1.2721 -1.2721 -0.7607 -0.7607 -0.6552 -0.6552 -0.1691 -0.1691 -0.1648 -0.1648 0.3103 0.3103 0.5861 0.5861 0.7205 0.7205 0.9191 0.9191 2.1104 2.1104 2.1948 2.1948 2.4937 2.4937 2.5416 2.5416 2.7377 2.7377 2.7682 2.7682 3.2027 3.2027 3.2084 3.2084 3.4195 3.4195 3.6916 3.6916 3.7512 3.7512 3.9580 3.9580 5.1348 5.1348 5.6496 5.6496 7.1590 7.1590 8.3241 8.3241 8.4339 8.4339 8.9120 8.9120 9.1324 9.1324 k = 0.2241-0.1294 0.1830 ( 10534 PWs) bands (ev): -22.0774 -22.0774 -22.0766 -22.0766 -8.6789 -8.6789 -7.9057 -7.9057 -7.8711 -7.8711 -7.8603 -7.8603 -7.7569 -7.7569 -7.6850 -7.6850 -6.7699 -6.7699 -6.7640 -6.7640 -5.9104 -5.9104 -5.9055 -5.9055 -5.9004 -5.9004 -5.8865 -5.8865 -1.2429 -1.2429 -0.7730 -0.7730 -0.6554 -0.6554 -0.1664 -0.1664 -0.1663 -0.1663 0.3165 0.3165 0.5944 0.5944 0.7457 0.7457 0.9395 0.9395 2.0896 2.0896 2.1902 2.1902 2.4736 2.4736 2.5283 2.5283 2.7409 2.7409 2.7566 2.7566 3.1627 3.1627 3.2213 3.2213 3.3750 3.3750 3.6394 3.6394 3.7393 3.7393 3.9485 3.9485 5.0619 5.0619 5.6470 5.6470 7.2403 7.2403 8.3951 8.3951 8.5216 8.5216 8.9664 8.9664 9.2171 9.2171 k = 0.2414-0.1394 0.1971 ( 10542 PWs) bands (ev): -22.0774 -22.0774 -22.0766 -22.0766 -8.6710 -8.6710 -7.9091 -7.9091 -7.8749 -7.8749 -7.8631 -7.8631 -7.7663 -7.7663 -7.6845 -7.6845 -6.7670 -6.7670 -6.7627 -6.7627 -5.9081 -5.9081 -5.9025 -5.9025 -5.9000 -5.9000 -5.8844 -5.8844 -1.2136 -1.2136 -0.7841 -0.7841 -0.6556 -0.6556 -0.1679 -0.1679 -0.1631 -0.1631 0.3231 0.3231 0.6028 0.6028 0.7713 0.7713 0.9601 0.9601 2.0677 2.0677 2.1863 2.1863 2.4527 2.4527 2.5162 2.5162 2.7438 2.7438 2.7439 2.7439 3.1211 3.1211 3.2350 3.2350 3.3325 3.3325 3.5851 3.5851 3.7270 3.7270 3.9393 3.9393 4.9887 4.9887 5.6444 5.6444 7.3255 7.3255 8.4703 8.4703 8.6089 8.6089 9.0243 9.0243 9.3059 9.3059 k = 0.2586-0.1493 0.2112 ( 10550 PWs) bands (ev): -22.0774 -22.0774 -22.0767 -22.0767 -8.6630 -8.6630 -7.9124 -7.9124 -7.8786 -7.8786 -7.8660 -7.8660 -7.7759 -7.7759 -7.6839 -7.6839 -6.7642 -6.7642 -6.7615 -6.7615 -5.9058 -5.9058 -5.8995 -5.8995 -5.8995 -5.8995 -5.8824 -5.8824 -1.1849 -1.1849 -0.7932 -0.7932 -0.6558 -0.6558 -0.1696 -0.1696 -0.1592 -0.1592 0.3300 0.3300 0.6110 0.6110 0.7970 0.7970 0.9808 0.9808 2.0448 2.0448 2.1831 2.1831 2.4315 2.4315 2.5056 2.5056 2.7307 2.7307 2.7461 2.7461 3.0789 3.0789 3.2492 3.2492 3.2921 3.2921 3.5295 3.5295 3.7142 3.7142 3.9305 3.9305 4.9159 4.9159 5.6418 5.6418 7.4142 7.4142 8.5497 8.5497 8.6947 8.6947 9.0845 9.0845 9.3981 9.3981 k = 0.2759-0.1593 0.2252 ( 10518 PWs) bands (ev): -22.0773 -22.0773 -22.0767 -22.0767 -8.6548 -8.6548 -7.9157 -7.9157 -7.8822 -7.8822 -7.8688 -7.8688 -7.7857 -7.7857 -7.6834 -7.6834 -6.7613 -6.7613 -6.7602 -6.7602 -5.9035 -5.9035 -5.8990 -5.8990 -5.8966 -5.8966 -5.8803 -5.8803 -1.1577 -1.1577 -0.7997 -0.7997 -0.6560 -0.6560 -0.1715 -0.1715 -0.1547 -0.1547 0.3372 0.3372 0.6191 0.6191 0.8226 0.8226 1.0012 1.0012 2.0209 2.0209 2.1806 2.1806 2.4103 2.4103 2.4965 2.4965 2.7172 2.7172 2.7473 2.7473 3.0371 3.0371 3.2540 3.2540 3.2638 3.2638 3.4730 3.4730 3.7010 3.7010 3.9222 3.9222 4.8444 4.8444 5.6394 5.6394 7.5059 7.5059 8.6329 8.6329 8.7782 8.7782 9.1456 9.1456 9.4930 9.4930 k = 0.2931-0.1692 0.2393 ( 10518 PWs) bands (ev): -22.0773 -22.0773 -22.0767 -22.0767 -8.6466 -8.6466 -7.9189 -7.9189 -7.8857 -7.8857 -7.8716 -7.8716 -7.7956 -7.7956 -7.6829 -7.6829 -6.7591 -6.7591 -6.7585 -6.7585 -5.9015 -5.9015 -5.8983 -5.8983 -5.8937 -5.8937 -5.8783 -5.8783 -1.1329 -1.1329 -0.8029 -0.8029 -0.6563 -0.6563 -0.1734 -0.1734 -0.1499 -0.1499 0.3446 0.3446 0.6267 0.6267 0.8479 0.8479 1.0210 1.0210 1.9963 1.9963 2.1790 2.1790 2.3899 2.3899 2.4893 2.4893 2.7039 2.7039 2.7465 2.7465 2.9972 2.9972 3.2184 3.2184 3.2781 3.2781 3.4167 3.4167 3.6873 3.6873 3.9143 3.9143 4.7749 4.7749 5.6370 5.6370 7.5998 7.5998 8.7196 8.7196 8.8588 8.8588 9.2057 9.2057 9.5897 9.5897 k = 0.3103-0.1792 0.2534 ( 10530 PWs) bands (ev): -22.0773 -22.0773 -22.0767 -22.0767 -8.6385 -8.6385 -7.9219 -7.9219 -7.8890 -7.8890 -7.8742 -7.8742 -7.8054 -7.8054 -7.6824 -7.6824 -6.7579 -6.7579 -6.7558 -6.7558 -5.9000 -5.9000 -5.8971 -5.8971 -5.8908 -5.8908 -5.8765 -5.8765 -1.1116 -1.1116 -0.8021 -0.8021 -0.6565 -0.6565 -0.1754 -0.1754 -0.1449 -0.1449 0.3521 0.3521 0.6340 0.6340 0.8728 0.8728 1.0400 1.0400 1.9711 1.9711 2.1781 2.1781 2.3707 2.3707 2.4840 2.4840 2.6909 2.6909 2.7425 2.7425 2.9608 2.9608 3.1853 3.1853 3.2901 3.2901 3.3628 3.3628 3.6731 3.6731 3.9069 3.9069 4.7080 4.7080 5.6347 5.6347 7.6953 7.6953 8.8093 8.8093 8.9360 8.9360 9.2625 9.2625 9.6874 9.6874 k = 0.3276-0.1891 0.2675 ( 10546 PWs) bands (ev): -22.0773 -22.0773 -22.0767 -22.0767 -8.6306 -8.6306 -7.9246 -7.9246 -7.8923 -7.8923 -7.8768 -7.8768 -7.8150 -7.8150 -7.6819 -7.6819 -6.7569 -6.7569 -6.7532 -6.7532 -5.8991 -5.8991 -5.8955 -5.8955 -5.8882 -5.8882 -5.8747 -5.8747 -1.0943 -1.0943 -0.7967 -0.7967 -0.6567 -0.6567 -0.1773 -0.1773 -0.1397 -0.1397 0.3596 0.3596 0.6406 0.6406 0.8969 0.8969 1.0578 1.0578 1.9458 1.9458 2.1779 2.1779 2.3534 2.3534 2.4809 2.4809 2.6787 2.6787 2.7333 2.7333 2.9303 2.9303 3.1545 3.1545 3.2817 3.2817 3.3298 3.3298 3.6587 3.6587 3.8998 3.8998 4.6446 4.6446 5.6326 5.6326 7.7916 7.7916 8.9017 8.9017 9.0098 9.0098 9.3134 9.3134 9.7850 9.7850 k = 0.3448-0.1991 0.2816 ( 10554 PWs) bands (ev): -22.0773 -22.0773 -22.0768 -22.0768 -8.6230 -8.6230 -7.9271 -7.9271 -7.8954 -7.8954 -7.8792 -7.8792 -7.8243 -7.8243 -7.6815 -7.6815 -6.7559 -6.7559 -6.7508 -6.7508 -5.8985 -5.8985 -5.8937 -5.8937 -5.8856 -5.8856 -5.8730 -5.8730 -1.0815 -1.0815 -0.7871 -0.7871 -0.6569 -0.6569 -0.1793 -0.1793 -0.1345 -0.1345 0.3669 0.3669 0.6467 0.6467 0.9199 0.9199 1.0742 1.0742 1.9206 1.9206 2.1784 2.1784 2.3384 2.3384 2.4800 2.4800 2.6677 2.6677 2.7176 2.7176 2.9078 2.9078 3.1262 3.1262 3.2351 3.2351 3.3359 3.3359 3.6439 3.6439 3.8932 3.8932 4.5852 4.5852 5.6307 5.6307 7.8877 7.8877 8.9963 8.9963 9.0798 9.0798 9.3563 9.3563 9.8813 9.8813 k = 0.3621-0.2090 0.2956 ( 10554 PWs) bands (ev): -22.0773 -22.0773 -22.0768 -22.0768 -8.6158 -8.6158 -7.9291 -7.9291 -7.8985 -7.8985 -7.8814 -7.8814 -7.8331 -7.8331 -7.6810 -7.6810 -6.7550 -6.7550 -6.7486 -6.7486 -5.8981 -5.8981 -5.8919 -5.8919 -5.8832 -5.8832 -5.8714 -5.8714 -1.0728 -1.0728 -0.7736 -0.7736 -0.6571 -0.6571 -0.1811 -0.1811 -0.1295 -0.1295 0.3740 0.3740 0.6521 0.6521 0.9416 0.9416 1.0891 1.0891 1.8961 1.8961 2.1793 2.1793 2.3261 2.3261 2.4813 2.4813 2.6581 2.6581 2.6949 2.6949 2.8940 2.8940 3.1001 3.1001 3.1816 3.1816 3.3502 3.3502 3.6288 3.6288 3.8870 3.8870 4.5304 4.5304 5.6289 5.6289 7.9824 7.9824 9.0925 9.0925 9.1458 9.1458 9.3896 9.3896 9.9750 9.9750 k = 0.3793-0.2190 0.3097 ( 10566 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.6091 -8.6091 -7.9306 -7.9306 -7.9015 -7.9015 -7.8834 -7.8834 -7.8413 -7.8413 -7.6806 -7.6806 -6.7542 -6.7542 -6.7465 -6.7465 -5.8978 -5.8978 -5.8902 -5.8902 -5.8811 -5.8811 -5.8701 -5.8701 -1.0677 -1.0677 -0.7577 -0.7577 -0.6573 -0.6573 -0.1829 -0.1829 -0.1246 -0.1246 0.3806 0.3806 0.6568 0.6568 0.9616 0.9616 1.1023 1.1023 1.8729 1.8729 2.1804 2.1804 2.3168 2.3168 2.4847 2.4847 2.6504 2.6504 2.6671 2.6671 2.8878 2.8878 3.0761 3.0761 3.1285 3.1285 3.3659 3.3659 3.6136 3.6136 3.8812 3.8812 4.4808 4.4808 5.6272 5.6272 8.0744 8.0744 9.1897 9.1897 9.2074 9.2074 9.4127 9.4127 10.0044 10.0044 k = 0.3966-0.2289 0.3238 ( 10586 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.6030 -8.6030 -7.9317 -7.9317 -7.9044 -7.9044 -7.8852 -7.8852 -7.8488 -7.8488 -7.6803 -7.6803 -6.7535 -6.7535 -6.7447 -6.7447 -5.8975 -5.8975 -5.8887 -5.8887 -5.8792 -5.8792 -5.8688 -5.8688 -1.0652 -1.0652 -0.7405 -0.7405 -0.6575 -0.6575 -0.1845 -0.1845 -0.1202 -0.1202 0.3868 0.3868 0.6608 0.6608 0.9796 0.9796 1.1137 1.1137 1.8515 1.8515 2.1817 2.1817 2.3104 2.3104 2.4899 2.4899 2.6367 2.6367 2.6450 2.6450 2.8870 2.8870 3.0542 3.0542 3.0774 3.0774 3.3819 3.3819 3.5984 3.5984 3.8758 3.8758 4.4369 4.4369 5.6258 5.6258 8.1621 8.1621 9.2638 9.2638 9.2869 9.2869 9.4259 9.4259 10.0206 10.0206 k = 0.4138-0.2389 0.3379 ( 10578 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.5977 -8.5977 -7.9322 -7.9322 -7.9073 -7.9073 -7.8867 -7.8867 -7.8553 -7.8553 -7.6800 -7.6800 -6.7529 -6.7529 -6.7432 -6.7432 -5.8972 -5.8972 -5.8874 -5.8874 -5.8775 -5.8775 -5.8678 -5.8678 -1.0644 -1.0644 -0.7235 -0.7235 -0.6577 -0.6577 -0.1859 -0.1859 -0.1161 -0.1161 0.3923 0.3923 0.6640 0.6640 0.9952 0.9952 1.1234 1.1234 1.8324 1.8324 2.1830 2.1830 2.3070 2.3070 2.4961 2.4961 2.6062 2.6062 2.6425 2.6425 2.8898 2.8898 3.0291 3.0291 3.0343 3.0343 3.3978 3.3978 3.5832 3.5832 3.8710 3.8710 4.3991 4.3991 5.6246 5.6246 8.2434 8.2434 9.3141 9.3141 9.3831 9.3831 9.4306 9.4306 10.0297 10.0297 k = 0.4310-0.2489 0.3519 ( 10570 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.5931 -8.5931 -7.9323 -7.9323 -7.9102 -7.9102 -7.8880 -7.8880 -7.8608 -7.8608 -7.6798 -7.6798 -6.7525 -6.7525 -6.7419 -6.7419 -5.8970 -5.8970 -5.8862 -5.8862 -5.8761 -5.8761 -5.8669 -5.8669 -1.0646 -1.0646 -0.7080 -0.7080 -0.6578 -0.6578 -0.1871 -0.1871 -0.1127 -0.1127 0.3970 0.3970 0.6666 0.6666 1.0082 1.0082 1.1313 1.1313 1.8162 1.8162 2.1841 2.1841 2.3061 2.3061 2.5025 2.5025 2.5776 2.5776 2.6431 2.6431 2.8950 2.8950 2.9849 2.9849 3.0163 3.0163 3.4134 3.4134 3.5682 3.5682 3.8668 3.8668 4.3678 4.3678 5.6236 5.6236 8.3161 8.3161 9.3574 9.3574 9.4288 9.4288 9.4766 9.4766 10.0295 10.0295 k = 0.4483-0.2588 0.3660 ( 10570 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.5895 -8.5895 -7.9319 -7.9319 -7.9129 -7.9129 -7.8890 -7.8890 -7.8651 -7.8651 -7.6796 -7.6796 -6.7521 -6.7521 -6.7408 -6.7408 -5.8969 -5.8969 -5.8854 -5.8854 -5.8750 -5.8750 -5.8662 -5.8662 -1.0653 -1.0653 -0.6948 -0.6948 -0.6579 -0.6579 -0.1880 -0.1880 -0.1098 -0.1098 0.4008 0.4008 0.6686 0.6686 1.0184 1.0184 1.1374 1.1374 1.8032 1.8032 2.1850 2.1850 2.3072 2.3072 2.5083 2.5083 2.5526 2.5526 2.6467 2.6467 2.9016 2.9016 2.9461 2.9461 3.0005 3.0005 3.4281 3.4281 3.5540 3.5540 3.8633 3.8633 4.3432 4.3432 5.6228 5.6228 8.3773 8.3773 9.3921 9.3921 9.4235 9.4235 9.5651 9.5651 10.0184 10.0184 k = 0.4655-0.2688 0.3801 ( 10558 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.5868 -8.5868 -7.9312 -7.9312 -7.9154 -7.9154 -7.8897 -7.8897 -7.8682 -7.8682 -7.6794 -7.6794 -6.7518 -6.7518 -6.7401 -6.7401 -5.8968 -5.8968 -5.8847 -5.8847 -5.8742 -5.8742 -5.8657 -5.8657 -1.0661 -1.0661 -0.6849 -0.6849 -0.6580 -0.6580 -0.1887 -0.1887 -0.1078 -0.1078 0.4036 0.4036 0.6700 0.6700 1.0257 1.0257 1.1418 1.1418 1.7937 1.7937 2.1857 2.1857 2.3093 2.3093 2.5127 2.5127 2.5330 2.5330 2.6524 2.6524 2.9085 2.9085 2.9150 2.9150 2.9873 2.9873 3.4413 3.4413 3.5412 3.5412 3.8607 3.8607 4.3255 4.3255 5.6222 5.6222 8.4241 8.4241 9.4109 9.4109 9.4236 9.4236 9.6441 9.6441 9.9969 9.9969 k = 0.4828-0.2787 0.3942 ( 10574 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.5852 -8.5852 -7.9304 -7.9304 -7.9172 -7.9172 -7.8902 -7.8902 -7.8701 -7.8701 -7.6793 -7.6793 -6.7516 -6.7516 -6.7396 -6.7396 -5.8967 -5.8967 -5.8843 -5.8843 -5.8737 -5.8737 -5.8654 -5.8654 -1.0666 -1.0666 -0.6787 -0.6787 -0.6581 -0.6581 -0.1891 -0.1891 -0.1065 -0.1065 0.4053 0.4053 0.6708 0.6708 1.0301 1.0301 1.1444 1.1444 1.7879 1.7879 2.1861 2.1861 2.3113 2.3113 2.5154 2.5154 2.5203 2.5203 2.6577 2.6577 2.8942 2.8942 2.9142 2.9142 2.9779 2.9779 3.4512 3.4512 3.5315 3.5315 3.8591 3.8591 4.3149 4.3149 5.6219 5.6219 8.4536 8.4536 9.4081 9.4081 9.4368 9.4368 9.7050 9.7050 9.9714 9.9714 k = 0.5000-0.2887 0.4082 ( 10574 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.5847 -8.5847 -7.9301 -7.9301 -7.9179 -7.9179 -7.8903 -7.8903 -7.8707 -7.8707 -7.6793 -7.6793 -6.7516 -6.7516 -6.7395 -6.7395 -5.8967 -5.8967 -5.8842 -5.8842 -5.8736 -5.8736 -5.8654 -5.8654 -1.0668 -1.0668 -0.6766 -0.6766 -0.6581 -0.6581 -0.1893 -0.1893 -0.1061 -0.1061 0.4059 0.4059 0.6711 0.6711 1.0315 1.0315 1.1453 1.1453 1.7860 1.7860 2.1863 2.1863 2.3121 2.3121 2.5159 2.5159 2.5163 2.5163 2.6600 2.6600 2.8868 2.8868 2.9166 2.9166 2.9743 2.9743 3.4551 3.4551 3.5277 3.5277 3.8585 3.8585 4.3113 4.3113 5.6218 5.6218 8.4637 8.4637 9.4062 9.4062 9.4420 9.4420 9.7299 9.7299 9.9584 9.9584 k = 0.5000-0.2887 0.4082 ( 10574 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.5847 -8.5847 -7.9301 -7.9301 -7.9179 -7.9179 -7.8903 -7.8903 -7.8707 -7.8707 -7.6793 -7.6793 -6.7516 -6.7516 -6.7395 -6.7395 -5.8967 -5.8967 -5.8842 -5.8842 -5.8736 -5.8736 -5.8654 -5.8654 -1.0668 -1.0668 -0.6766 -0.6766 -0.6581 -0.6581 -0.1893 -0.1893 -0.1061 -0.1061 0.4059 0.4059 0.6711 0.6711 1.0315 1.0315 1.1453 1.1453 1.7860 1.7860 2.1863 2.1863 2.3121 2.3121 2.5159 2.5159 2.5163 2.5163 2.6600 2.6600 2.8868 2.8868 2.9166 2.9166 2.9743 2.9743 3.4551 3.4551 3.5277 3.5277 3.8585 3.8585 4.3113 4.3113 5.6218 5.6218 8.4637 8.4637 9.4062 9.4062 9.4420 9.4420 9.7299 9.7299 9.9584 9.9584 k = 0.5000-0.2694 0.4219 ( 10564 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.5846 -8.5846 -7.9359 -7.9359 -7.9145 -7.9145 -7.8881 -7.8881 -7.8704 -7.8704 -7.6796 -7.6796 -6.7516 -6.7516 -6.7395 -6.7395 -5.8967 -5.8967 -5.8842 -5.8842 -5.8736 -5.8736 -5.8654 -5.8654 -1.0659 -1.0659 -0.6772 -0.6772 -0.6586 -0.6586 -0.1893 -0.1893 -0.1064 -0.1064 0.4056 0.4056 0.6722 0.6722 1.0318 1.0318 1.1447 1.1447 1.7862 1.7862 2.1862 2.1862 2.3117 2.3117 2.4978 2.4978 2.5339 2.5339 2.6606 2.6606 2.8883 2.8883 2.9158 2.9158 2.9758 2.9758 3.4548 3.4548 3.5250 3.5250 3.8577 3.8577 4.3151 4.3151 5.6193 5.6193 8.4634 8.4634 9.4081 9.4081 9.4452 9.4452 9.7305 9.7305 9.9589 9.9589 k = 0.5000-0.2502 0.4355 ( 10558 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.5843 -8.5843 -7.9461 -7.9461 -7.9108 -7.9108 -7.8826 -7.8826 -7.8688 -7.8688 -7.6803 -7.6803 -6.7515 -6.7515 -6.7396 -6.7396 -5.8965 -5.8965 -5.8843 -5.8843 -5.8736 -5.8736 -5.8654 -5.8654 -1.0630 -1.0630 -0.6792 -0.6792 -0.6600 -0.6600 -0.1893 -0.1893 -0.1075 -0.1075 0.4046 0.4046 0.6754 0.6754 1.0324 1.0324 1.1430 1.1430 1.7868 1.7868 2.1859 2.1859 2.3103 2.3103 2.4798 2.4798 2.5506 2.5506 2.6625 2.6625 2.8924 2.8924 2.9139 2.9139 2.9802 2.9802 3.4537 3.4537 3.5174 3.5174 3.8550 3.8550 4.3262 4.3262 5.6120 5.6120 8.4624 8.4624 9.4138 9.4138 9.4548 9.4548 9.7322 9.7322 9.9605 9.9605 k = 0.5000-0.2309 0.4491 ( 10574 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.5837 -8.5837 -7.9573 -7.9573 -7.9088 -7.9088 -7.8776 -7.8776 -7.8638 -7.8638 -7.6815 -7.6815 -6.7514 -6.7514 -6.7397 -6.7397 -5.8963 -5.8963 -5.8844 -5.8844 -5.8737 -5.8737 -5.8656 -5.8656 -1.0584 -1.0584 -0.6831 -0.6831 -0.6617 -0.6617 -0.1893 -0.1893 -0.1093 -0.1093 0.4031 0.4031 0.6808 0.6808 1.0331 1.0331 1.1405 1.1405 1.7878 1.7878 2.1855 2.1855 2.3079 2.3079 2.4628 2.4628 2.5654 2.5654 2.6654 2.6654 2.8965 2.8965 2.9136 2.9136 2.9874 2.9874 3.4513 3.4513 3.5065 3.5065 3.8499 3.8499 4.3444 4.3444 5.6000 5.6000 8.4609 8.4609 9.4234 9.4234 9.4705 9.4705 9.7352 9.7352 9.9631 9.9631 k = 0.5000-0.2117 0.4627 ( 10570 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.5830 -8.5830 -7.9684 -7.9684 -7.9078 -7.9078 -7.8757 -7.8757 -7.8545 -7.8545 -7.6833 -7.6833 -6.7513 -6.7513 -6.7399 -6.7399 -5.8961 -5.8961 -5.8845 -5.8845 -5.8738 -5.8738 -5.8657 -5.8657 -1.0519 -1.0519 -0.6895 -0.6895 -0.6631 -0.6631 -0.1892 -0.1892 -0.1117 -0.1117 0.4011 0.4011 0.6880 0.6880 1.0334 1.0334 1.1375 1.1375 1.7892 1.7892 2.1849 2.1849 2.3044 2.3044 2.4475 2.4475 2.5780 2.5780 2.6693 2.6693 2.8953 2.8953 2.9200 2.9200 2.9972 2.9972 3.4466 3.4466 3.4945 3.4945 3.8417 3.8417 4.3691 4.3691 5.5834 5.5834 8.4588 8.4588 9.4369 9.4369 9.4920 9.4920 9.7395 9.7395 9.9666 9.9666 k = 0.5000-0.1925 0.4763 ( 10570 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.5822 -8.5822 -7.9793 -7.9793 -7.9071 -7.9071 -7.8751 -7.8751 -7.8433 -7.8433 -7.6855 -7.6855 -6.7511 -6.7511 -6.7402 -6.7402 -5.8957 -5.8957 -5.8847 -5.8847 -5.8739 -5.8739 -5.8659 -5.8659 -1.0436 -1.0436 -0.6984 -0.6984 -0.6640 -0.6640 -0.1889 -0.1889 -0.1146 -0.1146 0.3987 0.3987 0.6968 0.6968 1.0329 1.0329 1.1347 1.1347 1.7910 1.7910 2.1842 2.1842 2.2996 2.2996 2.4344 2.4344 2.5884 2.5884 2.6737 2.6737 2.8899 2.8899 2.9317 2.9317 3.0098 3.0098 3.4378 3.4378 3.4846 3.4846 3.8301 3.8301 4.3994 4.3994 5.5627 5.5627 8.4563 8.4563 9.4540 9.4540 9.5191 9.5191 9.7452 9.7452 9.9709 9.9709 k = 0.5000-0.1732 0.4899 ( 10558 PWs) bands (ev): -22.0772 -22.0772 -22.0769 -22.0769 -8.5812 -8.5812 -7.9896 -7.9896 -7.9066 -7.9066 -7.8750 -7.8750 -7.8316 -7.8316 -7.6882 -7.6882 -6.7509 -6.7509 -6.7405 -6.7405 -5.8953 -5.8953 -5.8849 -5.8849 -5.8740 -5.8740 -5.8661 -5.8661 -1.0336 -1.0336 -0.7096 -0.7096 -0.6646 -0.6646 -0.1882 -0.1882 -0.1181 -0.1181 0.3961 0.3961 0.7070 0.7070 1.0308 1.0308 1.1326 1.1326 1.7932 1.7932 2.1832 2.1832 2.2935 2.2935 2.4238 2.4238 2.5968 2.5968 2.6783 2.6783 2.8828 2.8828 2.9456 2.9456 3.0250 3.0250 3.4248 3.4248 3.4787 3.4787 3.8148 3.8148 4.4344 4.4344 5.5383 5.5383 8.4534 8.4534 9.4744 9.4744 9.5514 9.5514 9.7524 9.7524 9.9759 9.9759 k = 0.5000-0.1540 0.5035 ( 10562 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5801 -8.5801 -7.9993 -7.9993 -7.9062 -7.9062 -7.8750 -7.8750 -7.8198 -7.8198 -7.6915 -7.6915 -6.7507 -6.7507 -6.7408 -6.7408 -5.8948 -5.8948 -5.8852 -5.8852 -5.8741 -5.8741 -5.8664 -5.8664 -1.0220 -1.0220 -0.7230 -0.7230 -0.6649 -0.6649 -0.1871 -0.1871 -0.1219 -0.1219 0.3933 0.3933 0.7183 0.7183 1.0267 1.0267 1.1317 1.1317 1.7957 1.7957 2.1821 2.1821 2.2864 2.2864 2.4155 2.4155 2.6037 2.6037 2.6827 2.6827 2.8749 2.8749 2.9601 2.9601 3.0422 3.0422 3.4095 3.4095 3.4761 3.4761 3.7960 3.7960 4.4728 4.4728 5.5106 5.5106 8.4504 8.4504 9.4979 9.4979 9.5885 9.5885 9.7609 9.7609 9.9812 9.9812 k = 0.5000-0.1347 0.5171 ( 10560 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5791 -8.5791 -8.0082 -8.0082 -7.9058 -7.9058 -7.8752 -7.8752 -7.8082 -7.8082 -7.6953 -7.6953 -6.7505 -6.7505 -6.7411 -6.7411 -5.8943 -5.8943 -5.8855 -5.8855 -5.8742 -5.8742 -5.8667 -5.8667 -1.0089 -1.0089 -0.7382 -0.7382 -0.6651 -0.6651 -0.1856 -0.1856 -0.1261 -0.1261 0.3904 0.3904 0.7304 0.7304 1.0204 1.0204 1.1323 1.1323 1.7984 1.7984 2.1808 2.1808 2.2787 2.2787 2.4095 2.4095 2.6093 2.6093 2.6867 2.6867 2.8667 2.8667 2.9748 2.9748 3.0602 3.0602 3.3948 3.3948 3.4757 3.4757 3.7739 3.7739 4.5134 4.5134 5.4805 5.4805 8.4474 8.4474 9.5237 9.5237 9.6296 9.6296 9.7706 9.7706 9.9868 9.9868 k = 0.5000-0.1155 0.5307 ( 10566 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5780 -8.5780 -8.0161 -8.0161 -7.9055 -7.9055 -7.8754 -7.8754 -7.7969 -7.7969 -7.6996 -7.6996 -6.7502 -6.7502 -6.7415 -6.7415 -5.8937 -5.8937 -5.8859 -5.8859 -5.8743 -5.8743 -5.8669 -5.8669 -0.9944 -0.9944 -0.7550 -0.7550 -0.6651 -0.6651 -0.1834 -0.1834 -0.1305 -0.1305 0.3877 0.3877 0.7429 0.7429 1.0121 1.0121 1.1342 1.1342 1.8013 1.8013 2.1795 2.1795 2.2708 2.2708 2.4053 2.4053 2.6140 2.6140 2.6901 2.6901 2.8585 2.8585 2.9894 2.9894 3.0770 3.0770 3.3829 3.3829 3.4770 3.4770 3.7491 3.7491 4.5549 4.5549 5.4489 5.4489 8.4445 8.4445 9.5512 9.5512 9.6741 9.6741 9.7812 9.7812 9.9923 9.9923 k = 0.5000-0.0962 0.5443 ( 10576 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5770 -8.5770 -8.0230 -8.0230 -7.9052 -7.9052 -7.8756 -7.8756 -7.7859 -7.7859 -7.7045 -7.7045 -6.7500 -6.7500 -6.7418 -6.7418 -5.8930 -5.8930 -5.8864 -5.8864 -5.8744 -5.8744 -5.8672 -5.8672 -0.9786 -0.9786 -0.7729 -0.7729 -0.6651 -0.6651 -0.1808 -0.1808 -0.1352 -0.1352 0.3852 0.3852 0.7554 0.7554 1.0025 1.0025 1.1369 1.1369 1.8042 1.8042 2.1780 2.1780 2.2633 2.2633 2.4024 2.4024 2.6180 2.6180 2.6931 2.6931 2.8507 2.8507 3.0041 3.0041 3.0904 3.0904 3.3755 3.3755 3.4799 3.4799 3.7221 3.7221 4.5957 4.5957 5.4168 5.4168 8.4417 8.4417 9.5792 9.5792 9.7208 9.7208 9.7922 9.7922 9.9975 9.9975 k = 0.5000-0.0770 0.5579 ( 10578 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5761 -8.5761 -8.0288 -8.0288 -7.9049 -7.9049 -7.8758 -7.8758 -7.7755 -7.7755 -7.7099 -7.7099 -6.7497 -6.7497 -6.7421 -6.7421 -5.8924 -5.8924 -5.8869 -5.8869 -5.8744 -5.8744 -5.8674 -5.8674 -0.9619 -0.9619 -0.7916 -0.7916 -0.6651 -0.6651 -0.1776 -0.1776 -0.1401 -0.1401 0.3830 0.3830 0.7673 0.7673 0.9924 0.9924 1.1399 1.1399 1.8069 1.8069 2.1766 2.1766 2.2566 2.2566 2.4006 2.4006 2.6213 2.6213 2.6955 2.6955 2.8436 2.8436 3.0188 3.0188 3.0983 3.0983 3.3733 3.3733 3.4849 3.4849 3.6938 3.6938 4.6341 4.6341 5.3859 5.3859 8.4393 8.4393 9.6064 9.6064 9.7672 9.7672 9.8040 9.8040 10.0022 10.0022 k = 0.5000-0.0577 0.5715 ( 10572 PWs) bands (ev): -22.0771 -22.0771 -22.0770 -22.0770 -8.5753 -8.5753 -8.0334 -8.0334 -7.9047 -7.9047 -7.8759 -7.8759 -7.7656 -7.7656 -7.7159 -7.7159 -6.7495 -6.7495 -6.7424 -6.7424 -5.8917 -5.8917 -5.8875 -5.8875 -5.8744 -5.8744 -5.8676 -5.8676 -0.9447 -0.9447 -0.8106 -0.8106 -0.6651 -0.6651 -0.1740 -0.1740 -0.1450 -0.1450 0.3812 0.3812 0.7781 0.7781 0.9827 0.9827 1.1428 1.1428 1.8092 1.8092 2.1753 2.1753 2.2511 2.2511 2.3995 2.3995 2.6240 2.6240 2.6974 2.6974 2.8376 2.8376 3.0336 3.0336 3.1001 3.1001 3.3756 3.3756 3.4923 3.4923 3.6654 3.6654 4.6679 4.6679 5.3581 5.3581 8.4374 8.4374 9.6311 9.6311 9.8023 9.8023 9.8246 9.8246 10.0060 10.0060 k = 0.5000-0.0385 0.5852 ( 10572 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5747 -8.5747 -8.0368 -8.0368 -7.9046 -7.9046 -7.8761 -7.8761 -7.7563 -7.7563 -7.7223 -7.7223 -6.7493 -6.7493 -6.7426 -6.7426 -5.8910 -5.8910 -5.8881 -5.8881 -5.8744 -5.8744 -5.8677 -5.8677 -0.9275 -0.9275 -0.8290 -0.8290 -0.6650 -0.6650 -0.1699 -0.1699 -0.1500 -0.1500 0.3798 0.3798 0.7868 0.7868 0.9746 0.9746 1.1451 1.1451 1.8110 1.8110 2.1743 2.1743 2.2470 2.2470 2.3989 2.3989 2.6259 2.6259 2.6988 2.6988 2.8330 2.8330 3.0484 3.0484 3.0961 3.0961 3.3800 3.3800 3.5021 3.5021 3.6388 3.6388 4.6948 4.6948 5.3355 5.3355 8.4359 8.4359 9.6511 9.6511 9.8140 9.8140 9.8614 9.8614 10.0087 10.0087 k = 0.5000-0.0192 0.5988 ( 10584 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5744 -8.5744 -8.0388 -8.0388 -7.9045 -7.9045 -7.8761 -7.8761 -7.7480 -7.7480 -7.7289 -7.7289 -6.7492 -6.7492 -6.7428 -6.7428 -5.8903 -5.8903 -5.8888 -5.8888 -5.8744 -5.8744 -5.8678 -5.8678 -0.9126 -0.9126 -0.8448 -0.8448 -0.6650 -0.6650 -0.1658 -0.1658 -0.1547 -0.1547 0.3790 0.3790 0.7926 0.7926 0.9691 0.9691 1.1466 1.1466 1.8122 1.8122 2.1736 2.1736 2.2445 2.2445 2.3985 2.3985 2.6271 2.6271 2.6997 2.6997 2.8301 2.8301 3.0626 3.0626 3.0876 3.0876 3.3839 3.3839 3.5125 3.5125 3.6177 3.6177 4.7123 4.7123 5.3206 5.3206 8.4350 8.4350 9.6644 9.6644 9.8192 9.8192 9.8913 9.8913 10.0101 10.0101 k = 0.5000 0.0000 0.6124 ( 10560 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5743 -8.5743 -8.0395 -8.0395 -7.9045 -7.9045 -7.8762 -7.8762 -7.7432 -7.7432 -7.7330 -7.7330 -6.7492 -6.7492 -6.7428 -6.7428 -5.8898 -5.8898 -5.8892 -5.8892 -5.8744 -5.8744 -5.8679 -5.8679 -0.9056 -0.9056 -0.8521 -0.8521 -0.6650 -0.6650 -0.1630 -0.1630 -0.1576 -0.1576 0.3787 0.3787 0.7946 0.7946 0.9672 0.9672 1.1471 1.1471 1.8126 1.8126 2.1734 2.1734 2.2436 2.2436 2.3985 2.3985 2.6275 2.6275 2.7000 2.7000 2.8292 2.8292 3.0745 3.0745 3.0776 3.0776 3.3855 3.3855 3.5175 3.5175 3.6090 3.6090 4.7184 4.7184 5.3154 5.3154 8.4347 8.4347 9.6691 9.6691 9.8209 9.8209 9.9028 9.9028 10.0105 10.0105 k = 0.5000 0.0000 0.6124 ( 10560 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5743 -8.5743 -8.0395 -8.0395 -7.9045 -7.9045 -7.8762 -7.8762 -7.7432 -7.7432 -7.7330 -7.7330 -6.7492 -6.7492 -6.7428 -6.7428 -5.8898 -5.8898 -5.8892 -5.8892 -5.8744 -5.8744 -5.8679 -5.8679 -0.9056 -0.9056 -0.8521 -0.8521 -0.6650 -0.6650 -0.1630 -0.1630 -0.1576 -0.1576 0.3787 0.3787 0.7946 0.7946 0.9672 0.9672 1.1471 1.1471 1.8126 1.8126 2.1734 2.1734 2.2436 2.2436 2.3985 2.3985 2.6275 2.6275 2.7000 2.7000 2.8292 2.8292 3.0745 3.0745 3.0776 3.0776 3.3855 3.3855 3.5175 3.5175 3.6090 3.6090 4.7184 4.7184 5.3154 5.3154 8.4347 8.4347 9.6691 9.6691 9.8209 9.8209 9.9028 9.9028 10.0105 10.0105 k = 0.4875 0.0217 0.6124 ( 10586 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5745 -8.5745 -8.0393 -8.0393 -7.9042 -7.9042 -7.8759 -7.8759 -7.7462 -7.7462 -7.7304 -7.7304 -6.7492 -6.7492 -6.7428 -6.7428 -5.8902 -5.8902 -5.8889 -5.8889 -5.8745 -5.8745 -5.8679 -5.8679 -0.9094 -0.9094 -0.8480 -0.8480 -0.6656 -0.6656 -0.1647 -0.1647 -0.1558 -0.1558 0.3788 0.3788 0.7921 0.7921 0.9678 0.9678 1.1482 1.1482 1.8124 1.8124 2.1738 2.1738 2.2443 2.2443 2.3974 2.3974 2.6258 2.6258 2.7034 2.7034 2.8292 2.8292 3.0649 3.0649 3.0872 3.0872 3.3851 3.3851 3.5145 3.5145 3.6138 3.6138 4.7163 4.7163 5.3183 5.3183 8.4328 8.4328 9.6611 9.6611 9.8094 9.8094 9.9025 9.9025 10.0169 10.0169 k = 0.4750 0.0433 0.6124 ( 10574 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5749 -8.5749 -8.0388 -8.0388 -7.9034 -7.9034 -7.8753 -7.8753 -7.7519 -7.7519 -7.7259 -7.7259 -6.7494 -6.7494 -6.7428 -6.7428 -5.8908 -5.8908 -5.8885 -5.8885 -5.8745 -5.8745 -5.8679 -5.8679 -0.9183 -0.9183 -0.8381 -0.8381 -0.6674 -0.6674 -0.1672 -0.1672 -0.1529 -0.1529 0.3792 0.3792 0.7847 0.7847 0.9702 0.9702 1.1511 1.1511 1.8119 1.8119 2.1752 2.1752 2.2464 2.2464 2.3942 2.3942 2.6225 2.6225 2.7118 2.7118 2.8291 2.8291 3.0539 3.0539 3.0980 3.0980 3.3839 3.3839 3.5080 3.5080 3.6255 3.6255 4.7100 4.7100 5.3263 5.3263 8.4279 8.4279 9.6398 9.6398 9.7817 9.7817 9.8993 9.8993 10.0305 10.0305 k = 0.4625 0.0650 0.6124 ( 10569 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5756 -8.5756 -8.0382 -8.0382 -7.9022 -7.9022 -7.8742 -7.8742 -7.7582 -7.7582 -7.7213 -7.7213 -6.7496 -6.7496 -6.7428 -6.7428 -5.8914 -5.8914 -5.8880 -5.8880 -5.8746 -5.8746 -5.8680 -5.8680 -0.9291 -0.9291 -0.8255 -0.8255 -0.6703 -0.6703 -0.1696 -0.1696 -0.1500 -0.1500 0.3797 0.3797 0.7736 0.7736 0.9743 0.9743 1.1551 1.1551 1.8111 1.8111 2.1773 2.1773 2.2495 2.2495 2.3886 2.3886 2.6199 2.6199 2.7225 2.7225 2.8291 2.8291 3.0435 3.0435 3.1073 3.1073 3.3823 3.3823 3.5013 3.5013 3.6402 3.6402 4.7001 4.7001 5.3387 5.3387 8.4209 8.4209 9.6108 9.6108 9.7477 9.7477 9.8891 9.8891 10.0445 10.0445 k = 0.4500 0.0866 0.6124 ( 10566 PWs) bands (ev): -22.0771 -22.0771 -22.0770 -22.0770 -8.5764 -8.5764 -8.0376 -8.0376 -7.9006 -7.9006 -7.8728 -7.8728 -7.7647 -7.7647 -7.7172 -7.7172 -6.7498 -6.7498 -6.7427 -6.7427 -5.8921 -5.8921 -5.8876 -5.8876 -5.8747 -5.8747 -5.8681 -5.8681 -0.9399 -0.9399 -0.8118 -0.8118 -0.6744 -0.6744 -0.1714 -0.1714 -0.1474 -0.1474 0.3804 0.3804 0.7602 0.7602 0.9797 0.9797 1.1595 1.1595 1.8100 1.8100 2.1801 2.1801 2.2535 2.2535 2.3809 2.3809 2.6189 2.6189 2.7338 2.7338 2.8290 2.8290 3.0343 3.0343 3.1141 3.1141 3.3808 3.3808 3.4965 3.4965 3.6553 3.6553 4.6879 4.6879 5.3537 5.3537 8.4128 8.4128 9.5793 9.5793 9.7129 9.7129 9.8717 9.8717 10.0560 10.0560 k = 0.4375 0.1083 0.6124 ( 10559 PWs) bands (ev): -22.0771 -22.0771 -22.0770 -22.0770 -8.5772 -8.5772 -8.0370 -8.0370 -7.8988 -7.8988 -7.8710 -7.8710 -7.7711 -7.7711 -7.7136 -7.7136 -6.7501 -6.7501 -6.7427 -6.7427 -5.8927 -5.8927 -5.8872 -5.8872 -5.8748 -5.8748 -5.8681 -5.8681 -0.9498 -0.9498 -0.7979 -0.7979 -0.6795 -0.6795 -0.1729 -0.1729 -0.1452 -0.1452 0.3811 0.3811 0.7463 0.7463 0.9855 0.9855 1.1640 1.1640 1.8087 1.8087 2.1832 2.1832 2.2582 2.2582 2.3717 2.3717 2.6195 2.6195 2.7445 2.7445 2.8288 2.8288 3.0271 3.0271 3.1175 3.1175 3.3798 3.3798 3.4942 3.4942 3.6694 3.6694 4.6745 4.6745 5.3700 5.3700 8.4043 8.4043 9.5487 9.5487 9.6804 9.6804 9.8499 9.8499 10.0648 10.0648 k = 0.4250 0.1299 0.6124 ( 10557 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5780 -8.5780 -8.0365 -8.0365 -7.8970 -7.8970 -7.8688 -7.8688 -7.7772 -7.7772 -7.7107 -7.7107 -6.7503 -6.7503 -6.7426 -6.7426 -5.8933 -5.8933 -5.8868 -5.8868 -5.8749 -5.8749 -5.8682 -5.8682 -0.9585 -0.9585 -0.7843 -0.7843 -0.6856 -0.6856 -0.1739 -0.1739 -0.1435 -0.1435 0.3818 0.3818 0.7332 0.7332 0.9911 0.9911 1.1680 1.1680 1.8074 1.8074 2.1865 2.1865 2.2634 2.2634 2.3616 2.3616 2.6213 2.6213 2.7541 2.7541 2.8284 2.8284 3.0220 3.0220 3.1175 3.1175 3.3796 3.3796 3.4939 3.4939 3.6817 3.6817 4.6612 4.6612 5.3859 5.3859 8.3962 8.3962 9.5214 9.5214 9.6521 9.6521 9.8275 9.8275 10.0712 10.0712 k = 0.4125 0.1516 0.6124 ( 10549 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5786 -8.5786 -8.0361 -8.0361 -7.8954 -7.8954 -7.8666 -7.8666 -7.7826 -7.7826 -7.7083 -7.7083 -6.7505 -6.7505 -6.7425 -6.7425 -5.8938 -5.8938 -5.8865 -5.8865 -5.8749 -5.8749 -5.8682 -5.8682 -0.9655 -0.9655 -0.7714 -0.7714 -0.6924 -0.6924 -0.1745 -0.1745 -0.1421 -0.1421 0.3825 0.3825 0.7219 0.7219 0.9960 0.9960 1.1714 1.1714 1.8062 1.8062 2.1895 2.1895 2.2689 2.2689 2.3514 2.3514 2.6237 2.6237 2.7620 2.7620 2.8278 2.8278 3.0192 3.0192 3.1149 3.1149 3.3803 3.3803 3.4951 3.4951 3.6916 3.6916 4.6494 4.6494 5.3999 5.3999 8.3892 8.3892 9.4989 9.4989 9.6290 9.6290 9.8072 9.8072 10.0756 10.0756 k = 0.4000 0.1732 0.6124 ( 10557 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5791 -8.5791 -8.0358 -8.0358 -7.8942 -7.8942 -7.8645 -7.8645 -7.7870 -7.7870 -7.7066 -7.7066 -6.7507 -6.7507 -6.7425 -6.7425 -5.8941 -5.8941 -5.8863 -5.8863 -5.8750 -5.8750 -5.8683 -5.8683 -0.9707 -0.9707 -0.7599 -0.7599 -0.6995 -0.6995 -0.1749 -0.1749 -0.1412 -0.1412 0.3830 0.3830 0.7133 0.7133 0.9997 0.9997 1.1739 1.1739 1.8053 1.8053 2.1920 2.1920 2.2742 2.2742 2.3423 2.3423 2.6259 2.6259 2.7680 2.7680 2.8271 2.8271 3.0183 3.0183 3.1109 3.1109 3.3812 3.3812 3.4969 3.4969 3.6988 3.6988 4.6401 4.6401 5.4108 5.4108 8.3838 8.3838 9.4823 9.4823 9.6120 9.6120 9.7914 9.7914 10.0784 10.0784 k = 0.3875 0.1949 0.6124 ( 10546 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5794 -8.5794 -8.0356 -8.0356 -7.8935 -7.8935 -7.8630 -7.8630 -7.7899 -7.7899 -7.7056 -7.7056 -6.7508 -6.7508 -6.7425 -6.7425 -5.8943 -5.8943 -5.8862 -5.8862 -5.8751 -5.8751 -5.8683 -5.8683 -0.9738 -0.9738 -0.7510 -0.7510 -0.7057 -0.7057 -0.1751 -0.1751 -0.1407 -0.1407 0.3834 0.3834 0.7080 0.7080 1.0021 1.0021 1.1755 1.1755 1.8047 1.8047 2.1936 2.1936 2.2784 2.2784 2.3356 2.3356 2.6274 2.6274 2.7718 2.7718 2.8265 2.8265 3.0184 3.0184 3.1075 3.1075 3.3819 3.3819 3.4983 3.4983 3.7032 3.7032 4.6342 4.6342 5.4177 5.4177 8.3804 8.3804 9.4720 9.4720 9.6017 9.6017 9.7814 9.7814 10.0800 10.0800 k = 0.3750 0.2165 0.6124 ( 10552 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5796 -8.5796 -8.0356 -8.0356 -7.8933 -7.8933 -7.8624 -7.8624 -7.7909 -7.7909 -7.7052 -7.7052 -6.7509 -6.7509 -6.7425 -6.7425 -5.8944 -5.8944 -5.8861 -5.8861 -5.8751 -5.8751 -5.8683 -5.8683 -0.9749 -0.9749 -0.7473 -0.7473 -0.7084 -0.7084 -0.1752 -0.1752 -0.1405 -0.1405 0.3835 0.3835 0.7061 0.7061 1.0029 1.0029 1.1760 1.1760 1.8045 1.8045 2.1942 2.1942 2.2800 2.2800 2.3331 2.3331 2.6280 2.6280 2.7730 2.7730 2.8263 2.8263 3.0186 3.0186 3.1062 3.1062 3.3822 3.3822 3.4989 3.4989 3.7046 3.7046 4.6321 4.6321 5.4201 5.4201 8.3792 8.3792 9.4686 9.4686 9.5982 9.5982 9.7779 9.7779 10.0805 10.0805 k = 0.3750 0.2165 0.6124 ( 10552 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5796 -8.5796 -8.0356 -8.0356 -7.8933 -7.8933 -7.8624 -7.8624 -7.7909 -7.7909 -7.7052 -7.7052 -6.7509 -6.7509 -6.7425 -6.7425 -5.8944 -5.8944 -5.8861 -5.8861 -5.8751 -5.8751 -5.8683 -5.8683 -0.9749 -0.9749 -0.7473 -0.7473 -0.7084 -0.7084 -0.1752 -0.1752 -0.1405 -0.1405 0.3835 0.3835 0.7061 0.7061 1.0029 1.0029 1.1760 1.1760 1.8045 1.8045 2.1942 2.1942 2.2800 2.2800 2.3331 2.3331 2.6280 2.6280 2.7730 2.7730 2.8263 2.8263 3.0186 3.0186 3.1062 3.1062 3.3822 3.3822 3.4989 3.4989 3.7046 3.7046 4.6321 4.6321 5.4201 5.4201 8.3792 8.3792 9.4686 9.4686 9.5982 9.5982 9.7779 9.7779 10.0805 10.0805 k = 0.3625 0.2093 0.5920 ( 10553 PWs) bands (ev): -22.0771 -22.0771 -22.0770 -22.0770 -8.5802 -8.5802 -8.0423 -8.0423 -7.8921 -7.8921 -7.8582 -7.8582 -7.7820 -7.7820 -7.7102 -7.7102 -6.7510 -6.7510 -6.7430 -6.7430 -5.8944 -5.8944 -5.8866 -5.8866 -5.8754 -5.8754 -5.8690 -5.8690 -0.9591 -0.9591 -0.7627 -0.7627 -0.7164 -0.7164 -0.1707 -0.1707 -0.1461 -0.1461 0.3810 0.3810 0.7015 0.7015 0.9879 0.9879 1.1938 1.1938 1.8079 1.8079 2.1983 2.1983 2.2775 2.2775 2.3205 2.3205 2.6339 2.6339 2.7698 2.7698 2.8427 2.8427 3.0256 3.0256 3.1310 3.1310 3.3838 3.3838 3.5047 3.5047 3.6748 3.6748 4.6826 4.6826 5.3920 5.3920 8.3502 8.3502 9.4509 9.4509 9.5814 9.5814 9.8030 9.8030 10.1153 10.1153 k = 0.3500 0.2021 0.5715 ( 10567 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5814 -8.5814 -8.0475 -8.0475 -7.8913 -7.8913 -7.8532 -7.8532 -7.7736 -7.7736 -7.7156 -7.7156 -6.7512 -6.7512 -6.7437 -6.7437 -5.8946 -5.8946 -5.8870 -5.8870 -5.8757 -5.8757 -5.8698 -5.8698 -0.9434 -0.9434 -0.7793 -0.7793 -0.7241 -0.7241 -0.1661 -0.1661 -0.1517 -0.1517 0.3788 0.3788 0.6947 0.6947 0.9715 0.9715 1.2119 1.2119 1.8118 1.8118 2.2030 2.2030 2.2764 2.2764 2.3101 2.3101 2.6412 2.6412 2.7603 2.7603 2.8663 2.8663 3.0323 3.0323 3.1544 3.1544 3.3906 3.3906 3.5101 3.5101 3.6462 3.6462 4.7339 4.7339 5.3654 5.3654 8.3146 8.3146 9.4249 9.4249 9.5578 9.5578 9.8270 9.8270 10.1500 10.1500 k = 0.3375 0.1949 0.5511 ( 10571 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5833 -8.5833 -8.0512 -8.0512 -7.8905 -7.8905 -7.8475 -7.8475 -7.7659 -7.7659 -7.7212 -7.7212 -6.7516 -6.7516 -6.7444 -6.7444 -5.8949 -5.8949 -5.8876 -5.8876 -5.8761 -5.8761 -5.8706 -5.8706 -0.9284 -0.9284 -0.7966 -0.7966 -0.7315 -0.7315 -0.1614 -0.1614 -0.1570 -0.1570 0.3769 0.3769 0.6861 0.6861 0.9539 0.9539 1.2288 1.2288 1.8162 1.8162 2.2080 2.2080 2.2769 2.2769 2.3024 2.3024 2.6504 2.6504 2.7498 2.7498 2.8916 2.8916 3.0391 3.0391 3.1759 3.1759 3.4024 3.4024 3.5132 3.5132 3.6218 3.6218 4.7854 4.7854 5.3408 5.3408 8.2721 8.2721 9.3903 9.3903 9.5303 9.5303 9.8462 9.8462 10.1503 10.1503 k = 0.3250 0.1876 0.5307 ( 10559 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5860 -8.5860 -8.0531 -8.0531 -7.8899 -7.8899 -7.8413 -7.8413 -7.7588 -7.7588 -7.7270 -7.7270 -6.7521 -6.7521 -6.7452 -6.7452 -5.8954 -5.8954 -5.8881 -5.8881 -5.8765 -5.8765 -5.8716 -5.8716 -0.9157 -0.9157 -0.8133 -0.8133 -0.7383 -0.7383 -0.1624 -0.1624 -0.1566 -0.1566 0.3751 0.3751 0.6762 0.6762 0.9357 0.9357 1.2434 1.2434 1.8215 1.8215 2.2125 2.2125 2.2786 2.2786 2.2989 2.2989 2.6621 2.6621 2.7398 2.7398 2.9163 2.9163 3.0466 3.0466 3.1957 3.1957 3.4187 3.4187 3.5103 3.5103 3.6064 3.6064 4.8369 4.8369 5.3187 5.3187 8.2226 8.2226 9.3467 9.3467 9.5004 9.5004 9.8567 9.8567 10.0771 10.0771 k = 0.3125 0.1804 0.5103 ( 10551 PWs) bands (ev): -22.0771 -22.0771 -22.0770 -22.0770 -8.5895 -8.5895 -8.0534 -8.0534 -7.8893 -7.8893 -7.8346 -7.8346 -7.7525 -7.7525 -7.7329 -7.7329 -6.7527 -6.7527 -6.7461 -6.7461 -5.8961 -5.8961 -5.8888 -5.8888 -5.8770 -5.8770 -5.8727 -5.8727 -0.9085 -0.9085 -0.8263 -0.8263 -0.7443 -0.7443 -0.1671 -0.1671 -0.1526 -0.1526 0.3735 0.3735 0.6653 0.6653 0.9169 0.9169 1.2545 1.2545 1.8279 1.8279 2.2157 2.2157 2.2810 2.2810 2.3009 2.3009 2.6767 2.6767 2.7309 2.7309 2.9388 2.9388 3.0554 3.0554 3.2140 3.2140 3.4382 3.4382 3.4989 3.4989 3.6035 3.6035 4.8881 4.8881 5.2995 5.2995 8.1663 8.1663 9.2940 9.2940 9.4678 9.4678 9.8520 9.8520 10.0166 10.0166 k = 0.3000 0.1732 0.4899 ( 10543 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5939 -8.5939 -8.0519 -8.0519 -7.8886 -7.8886 -7.8275 -7.8275 -7.7476 -7.7476 -7.7380 -7.7380 -6.7534 -6.7534 -6.7470 -6.7470 -5.8970 -5.8970 -5.8894 -5.8894 -5.8776 -5.8776 -5.8739 -5.8739 -0.9119 -0.9119 -0.8306 -0.8306 -0.7495 -0.7495 -0.1715 -0.1715 -0.1490 -0.1490 0.3718 0.3718 0.6538 0.6538 0.8979 0.8979 1.2613 1.2613 1.8357 1.8357 2.2170 2.2170 2.2851 2.2851 2.3082 2.3082 2.6946 2.6946 2.7234 2.7234 2.9573 2.9573 3.0667 3.0667 3.2313 3.2313 3.4576 3.4576 3.4848 3.4848 3.6112 3.6112 4.9387 4.9387 5.2836 5.2836 8.1035 8.1035 9.2335 9.2335 9.4306 9.4306 9.8220 9.8220 9.9786 9.9786 k = 0.2875 0.1660 0.4695 ( 10555 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5990 -8.5990 -8.0488 -8.0488 -7.8878 -7.8878 -7.8202 -7.8202 -7.7484 -7.7484 -7.7380 -7.7380 -6.7542 -6.7542 -6.7481 -6.7481 -5.8981 -5.8981 -5.8901 -5.8901 -5.8784 -5.8784 -5.8752 -5.8752 -0.9271 -0.9271 -0.8250 -0.8250 -0.7537 -0.7537 -0.1754 -0.1754 -0.1463 -0.1463 0.3700 0.3700 0.6421 0.6421 0.8789 0.8789 1.2633 1.2633 1.8452 1.8452 2.2162 2.2162 2.2920 2.2920 2.3192 2.3192 2.7121 2.7121 2.7215 2.7215 2.9708 2.9708 3.0810 3.0810 3.2480 3.2480 3.4568 3.4568 3.4921 3.4921 3.6254 3.6254 4.9883 4.9883 5.2715 5.2715 8.0350 8.0350 9.1664 9.1664 9.3863 9.3863 9.7679 9.7679 9.8886 9.8886 k = 0.2750 0.1588 0.4491 ( 10553 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.6049 -8.6049 -8.0440 -8.0440 -7.8869 -7.8869 -7.8125 -7.8125 -7.7539 -7.7539 -7.7339 -7.7339 -6.7552 -6.7552 -6.7494 -6.7494 -5.8993 -5.8993 -5.8909 -5.8909 -5.8794 -5.8794 -5.8765 -5.8765 -0.9498 -0.9498 -0.8139 -0.8139 -0.7567 -0.7567 -0.1787 -0.1787 -0.1443 -0.1443 0.3678 0.3678 0.6305 0.6305 0.8599 0.8599 1.2600 1.2600 1.8569 1.8569 2.2138 2.2138 2.3020 2.3020 2.3327 2.3327 2.7102 2.7102 2.7441 2.7441 2.9790 2.9790 3.0984 3.0984 3.2638 3.2638 3.4445 3.4445 3.5155 3.5155 3.6436 3.6436 5.0365 5.0365 5.2634 5.2634 7.9616 7.9616 9.0943 9.0943 9.3329 9.3329 9.7023 9.7023 9.7932 9.7932 k = 0.2625 0.1516 0.4287 ( 10549 PWs) bands (ev): -22.0772 -22.0772 -22.0769 -22.0769 -8.6115 -8.6115 -8.0378 -8.0378 -7.8859 -7.8859 -7.8047 -7.8047 -7.7602 -7.7602 -7.7295 -7.7295 -6.7563 -6.7563 -6.7507 -6.7507 -5.9007 -5.9007 -5.8916 -5.8916 -5.8807 -5.8807 -5.8778 -5.8778 -0.9765 -0.9765 -0.8008 -0.8008 -0.7586 -0.7586 -0.1815 -0.1815 -0.1433 -0.1433 0.3650 0.3650 0.6192 0.6192 0.8410 0.8410 1.2515 1.2515 1.8709 1.8709 2.2108 2.2108 2.3147 2.3147 2.3480 2.3480 2.7063 2.7063 2.7733 2.7733 2.9830 2.9830 3.1177 3.1177 3.2776 3.2776 3.4376 3.4376 3.5407 3.5407 3.6645 3.6645 5.0827 5.0827 5.2601 5.2601 7.8842 7.8842 9.0186 9.0186 9.2696 9.2696 9.6324 9.6324 9.6992 9.6992 k = 0.2500 0.1443 0.4082 ( 10573 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.6187 -8.6187 -8.0303 -8.0303 -7.8847 -7.8847 -7.7967 -7.7967 -7.7667 -7.7667 -7.7254 -7.7254 -6.7576 -6.7576 -6.7521 -6.7521 -5.9022 -5.9022 -5.8924 -5.8924 -5.8824 -5.8824 -5.8791 -5.8791 -1.0057 -1.0057 -0.7873 -0.7873 -0.7590 -0.7590 -0.1836 -0.1836 -0.1431 -0.1431 0.3615 0.3615 0.6086 0.6086 0.8225 0.8225 1.2378 1.2378 1.8872 1.8872 2.2076 2.2076 2.3296 2.3296 2.3643 2.3643 2.7031 2.7031 2.8054 2.8054 2.9845 2.9845 3.1378 3.1378 3.2880 3.2880 3.4402 3.4402 3.5659 3.5659 3.6875 3.6875 5.1259 5.1259 5.2623 5.2623 7.8037 7.8037 8.9404 8.9404 9.1971 9.1971 9.5614 9.5614 9.6073 9.6073 k = 0.2375 0.1371 0.3878 ( 10549 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.6264 -8.6264 -8.0215 -8.0215 -7.8833 -7.8833 -7.7887 -7.7887 -7.7732 -7.7732 -7.7215 -7.7215 -6.7590 -6.7590 -6.7536 -6.7536 -5.9038 -5.9038 -5.8932 -5.8932 -5.8844 -5.8844 -5.8804 -5.8804 -1.0365 -1.0365 -0.7744 -0.7744 -0.7578 -0.7578 -0.1851 -0.1851 -0.1436 -0.1436 0.3573 0.3573 0.5987 0.5987 0.8043 0.8043 1.2192 1.2192 1.9061 1.9061 2.2048 2.2048 2.3463 2.3463 2.3812 2.3812 2.7009 2.7009 2.8383 2.8383 2.9860 2.9860 3.1573 3.1573 3.2950 3.2950 3.4535 3.4535 3.5906 3.5906 3.7119 3.7119 5.1648 5.1648 5.2715 5.2715 7.7211 7.7211 8.8609 8.8609 9.1168 9.1168 9.4906 9.4906 9.5177 9.5177 k = 0.2250 0.1299 0.3674 ( 10549 PWs) bands (ev): -22.0773 -22.0773 -22.0768 -22.0768 -8.6344 -8.6344 -8.0118 -8.0118 -7.8818 -7.8818 -7.7810 -7.7810 -7.7793 -7.7793 -7.7179 -7.7179 -6.7606 -6.7606 -6.7551 -6.7551 -5.9055 -5.9055 -5.8941 -5.8941 -5.8867 -5.8867 -5.8817 -5.8817 -1.0684 -1.0684 -0.7641 -0.7641 -0.7532 -0.7532 -0.1860 -0.1860 -0.1448 -0.1448 0.3523 0.3523 0.5898 0.5898 0.7866 0.7866 1.1962 1.1962 1.9271 1.9271 2.2026 2.2026 2.3646 2.3646 2.3986 2.3986 2.6993 2.6993 2.8682 2.8682 2.9911 2.9911 3.1748 3.1748 3.3010 3.3010 3.4762 3.4762 3.6146 3.6146 3.7374 3.7374 5.1976 5.1976 5.2893 5.2893 7.6372 7.6372 8.7809 8.7809 9.0303 9.0303 9.4207 9.4207 9.4309 9.4309 k = 0.2125 0.1227 0.3470 ( 10539 PWs) bands (ev): -22.0773 -22.0773 -22.0767 -22.0767 -8.6427 -8.6427 -8.0012 -8.0012 -7.8801 -7.8801 -7.7860 -7.7860 -7.7725 -7.7725 -7.7147 -7.7147 -6.7624 -6.7624 -6.7567 -6.7567 -5.9073 -5.9073 -5.8950 -5.8950 -5.8891 -5.8891 -5.8830 -5.8830 -1.1011 -1.1011 -0.7580 -0.7580 -0.7439 -0.7439 -0.1863 -0.1863 -0.1465 -0.1465 0.3467 0.3467 0.5817 0.5817 0.7692 0.7692 1.1692 1.1692 1.9502 1.9502 2.2013 2.2013 2.3843 2.3843 2.4160 2.4160 2.6984 2.6984 2.8892 2.8892 3.0055 3.0055 3.1886 3.1886 3.3098 3.3098 3.5060 3.5060 3.6379 3.6379 3.7634 3.7634 5.2242 5.2242 5.3156 5.3156 7.5530 7.5530 8.7012 8.7012 8.9393 8.9393 9.3469 9.3469 9.3525 9.3525 k = 0.2000 0.1155 0.3266 ( 10535 PWs) bands (ev): -22.0773 -22.0773 -22.0767 -22.0767 -8.6511 -8.6511 -7.9900 -7.9900 -7.8783 -7.8783 -7.7921 -7.7921 -7.7645 -7.7645 -7.7117 -7.7117 -6.7643 -6.7643 -6.7583 -6.7583 -5.9091 -5.9091 -5.8959 -5.8959 -5.8917 -5.8917 -5.8845 -5.8845 -1.1341 -1.1341 -0.7532 -0.7532 -0.7330 -0.7330 -0.1861 -0.1861 -0.1486 -0.1486 0.3405 0.3405 0.5745 0.5745 0.7523 0.7523 1.1389 1.1389 1.9748 1.9748 2.2008 2.2008 2.4051 2.4051 2.4335 2.4335 2.6981 2.6981 2.8980 2.8980 3.0317 3.0317 3.1975 3.1975 3.3246 3.3246 3.5406 3.5406 3.6606 3.6606 3.7896 3.7896 5.2474 5.2474 5.3476 5.3476 7.4690 7.4690 8.6226 8.6226 8.8453 8.8453 9.2666 9.2666 9.2854 9.2854 k = 0.1875 0.1083 0.3062 ( 10535 PWs) bands (ev): -22.0773 -22.0773 -22.0767 -22.0767 -8.6595 -8.6595 -7.9784 -7.9784 -7.8763 -7.8763 -7.7980 -7.7980 -7.7567 -7.7567 -7.7089 -7.7089 -6.7665 -6.7665 -6.7599 -6.7599 -5.9110 -5.9110 -5.8971 -5.8971 -5.8943 -5.8943 -5.8860 -5.8860 -1.1671 -1.1671 -0.7478 -0.7478 -0.7224 -0.7224 -0.1855 -0.1855 -0.1508 -0.1508 0.3339 0.3339 0.5682 0.5682 0.7359 0.7359 1.1060 1.1060 2.0004 2.0004 2.2012 2.2012 2.4269 2.4269 2.4509 2.4509 2.6983 2.6983 2.8976 2.8976 3.0660 3.0660 3.2021 3.2021 3.3464 3.3464 3.5779 3.5779 3.6828 3.6828 3.8156 3.8156 5.2703 5.2703 5.3818 5.3818 7.3861 7.3861 8.5456 8.5456 8.7495 8.7495 9.1898 9.1898 9.2200 9.2200 k = 0.1750 0.1010 0.2858 ( 10537 PWs) bands (ev): -22.0774 -22.0774 -22.0767 -22.0767 -8.6679 -8.6679 -7.9666 -7.9666 -7.8742 -7.8742 -7.8037 -7.8037 -7.7491 -7.7491 -7.7063 -7.7063 -6.7687 -6.7687 -6.7614 -6.7614 -5.9128 -5.9128 -5.8990 -5.8990 -5.8962 -5.8962 -5.8875 -5.8875 -1.1998 -1.1998 -0.7418 -0.7418 -0.7125 -0.7125 -0.1845 -0.1845 -0.1530 -0.1530 0.3272 0.3272 0.5627 0.5627 0.7198 0.7198 1.0713 1.0713 2.0266 2.0266 2.2024 2.2024 2.4494 2.4494 2.4682 2.4682 2.6990 2.6990 2.8922 2.8922 3.1022 3.1022 3.2049 3.2049 3.3742 3.3742 3.6165 3.6165 3.7052 3.7052 3.8411 3.8411 5.2947 5.2947 5.4162 5.4162 7.3049 7.3049 8.4708 8.4708 8.6531 8.6531 9.1168 9.1168 9.1561 9.1561 k = 0.1625 0.0938 0.2654 ( 10545 PWs) bands (ev): -22.0774 -22.0774 -22.0766 -22.0766 -8.6761 -8.6761 -7.9548 -7.9548 -7.8721 -7.8721 -7.8090 -7.8090 -7.7417 -7.7417 -7.7040 -7.7040 -6.7711 -6.7711 -6.7630 -6.7630 -5.9147 -5.9147 -5.9017 -5.9017 -5.8974 -5.8974 -5.8891 -5.8891 -1.2320 -1.2320 -0.7349 -0.7349 -0.7035 -0.7035 -0.1832 -0.1832 -0.1551 -0.1551 0.3204 0.3204 0.5578 0.5578 0.7040 0.7040 1.0356 1.0356 2.0527 2.0527 2.2045 2.2045 2.4725 2.4725 2.4852 2.4852 2.6999 2.6999 2.8845 2.8845 3.1346 3.1346 3.2100 3.2100 3.4070 3.4070 3.6541 3.6541 3.7286 3.7286 3.8659 3.8659 5.3214 5.3214 5.4496 5.4496 7.2260 7.2260 8.3988 8.3988 8.5571 8.5571 9.0478 9.0478 9.0937 9.0937 k = 0.1500 0.0866 0.2449 ( 10573 PWs) bands (ev): -22.0774 -22.0774 -22.0766 -22.0766 -8.6840 -8.6840 -7.9432 -7.9432 -7.8698 -7.8698 -7.8139 -7.8139 -7.7347 -7.7347 -7.7018 -7.7018 -6.7735 -6.7735 -6.7645 -6.7645 -5.9165 -5.9165 -5.9047 -5.9047 -5.8983 -5.8983 -5.8907 -5.8907 -1.2632 -1.2632 -0.7274 -0.7274 -0.6953 -0.6953 -0.1817 -0.1817 -0.1569 -0.1569 0.3139 0.3139 0.5535 0.5535 0.6884 0.6884 0.9997 0.9997 2.0782 2.0782 2.2073 2.2073 2.4957 2.4957 2.5021 2.5021 2.7012 2.7012 2.8756 2.8756 3.1557 3.1557 3.2242 3.2242 3.4436 3.4436 3.6884 3.6884 3.7548 3.7548 3.8897 3.8897 5.3506 5.3506 5.4815 5.4815 7.1500 7.1500 8.3301 8.3301 8.4626 8.4626 8.9832 8.9832 9.0331 9.0331 k = 0.1375 0.0794 0.2245 ( 10573 PWs) bands (ev): -22.0774 -22.0774 -22.0766 -22.0766 -8.6916 -8.6916 -7.9321 -7.9321 -7.8673 -7.8673 -7.8185 -7.8185 -7.7280 -7.7280 -7.6998 -7.6998 -6.7760 -6.7760 -6.7659 -6.7659 -5.9182 -5.9182 -5.9078 -5.9078 -5.8991 -5.8991 -5.8924 -5.8924 -1.2932 -1.2932 -0.7193 -0.7193 -0.6880 -0.6880 -0.1800 -0.1800 -0.1583 -0.1583 0.3076 0.3076 0.5496 0.5496 0.6729 0.6729 0.9645 0.9645 2.1028 2.1028 2.2105 2.2105 2.5163 2.5163 2.5211 2.5211 2.7026 2.7026 2.8662 2.8662 3.1633 3.1633 3.2495 3.2495 3.4831 3.4831 3.7167 3.7167 3.7855 3.7855 3.9124 3.9124 5.3823 5.3823 5.5113 5.5113 7.0773 7.0773 8.2650 8.2650 8.3705 8.3705 8.9230 8.9230 8.9742 8.9742 k = 0.1250 0.0722 0.2041 ( 10583 PWs) bands (ev): -22.0775 -22.0775 -22.0766 -22.0766 -8.6987 -8.6987 -7.9216 -7.9216 -7.8648 -7.8648 -7.8225 -7.8225 -7.7216 -7.7216 -7.6980 -7.6980 -6.7784 -6.7784 -6.7673 -6.7673 -5.9199 -5.9199 -5.9109 -5.9109 -5.8998 -5.8998 -5.8940 -5.8940 -1.3218 -1.3218 -0.7109 -0.7109 -0.6815 -0.6815 -0.1781 -0.1781 -0.1593 -0.1593 0.3018 0.3018 0.5461 0.5461 0.6571 0.6571 0.9310 0.9310 2.1258 2.1258 2.2142 2.2142 2.5323 2.5323 2.5438 2.5438 2.7043 2.7043 2.8565 2.8565 3.1639 3.1639 3.2793 3.2793 3.5246 3.5246 3.7389 3.7389 3.8201 3.8201 3.9337 3.9337 5.4159 5.4159 5.5389 5.5389 7.0086 7.0086 8.2040 8.2040 8.2819 8.2819 8.8675 8.8675 8.9176 8.9176 k = 0.1125 0.0650 0.1837 ( 10583 PWs) bands (ev): -22.0775 -22.0775 -22.0766 -22.0766 -8.7054 -8.7054 -7.9121 -7.9121 -7.8620 -7.8620 -7.8261 -7.8261 -7.7158 -7.7158 -7.6964 -7.6964 -6.7808 -6.7808 -6.7687 -6.7687 -5.9215 -5.9215 -5.9139 -5.9139 -5.9005 -5.9005 -5.8955 -5.8955 -1.3485 -1.3485 -0.7024 -0.7024 -0.6758 -0.6758 -0.1761 -0.1761 -0.1599 -0.1599 0.2965 0.2965 0.5428 0.5428 0.6409 0.6409 0.9001 0.9001 2.1472 2.1472 2.2181 2.2181 2.5467 2.5467 2.5668 2.5668 2.7060 2.7060 2.8467 2.8467 3.1619 3.1619 3.3089 3.3089 3.5672 3.5672 3.7566 3.7566 3.8561 3.8561 3.9535 3.9535 5.4509 5.4509 5.5641 5.5641 6.9442 6.9442 8.1476 8.1476 8.1976 8.1976 8.8168 8.8168 8.8635 8.8635 k = 0.1000 0.0577 0.1633 ( 10603 PWs) bands (ev): -22.0775 -22.0775 -22.0765 -22.0765 -8.7115 -8.7115 -7.9038 -7.9038 -7.8590 -7.8590 -7.8291 -7.8291 -7.7104 -7.7104 -7.6949 -7.6949 -6.7830 -6.7830 -6.7699 -6.7699 -5.9230 -5.9230 -5.9167 -5.9167 -5.9011 -5.9011 -5.8970 -5.8970 -1.3732 -1.3732 -0.6940 -0.6940 -0.6709 -0.6709 -0.1739 -0.1739 -0.1601 -0.1601 0.2918 0.2918 0.5398 0.5398 0.6242 0.6242 0.8724 0.8724 2.1667 2.1667 2.2221 2.2221 2.5599 2.5599 2.5893 2.5893 2.7078 2.7078 2.8369 2.8369 3.1591 3.1591 3.3365 3.3365 3.6100 3.6100 3.7712 3.7712 3.8914 3.8914 3.9716 3.9716 5.4865 5.4865 5.5867 5.5867 6.8848 6.8848 8.0960 8.0960 8.1186 8.1186 8.7710 8.7710 8.8127 8.8127 k = 0.0875 0.0505 0.1429 ( 10589 PWs) bands (ev): -22.0775 -22.0775 -22.0765 -22.0765 -8.7170 -8.7170 -7.8968 -7.8968 -7.8557 -7.8557 -7.8316 -7.8316 -7.7056 -7.7056 -7.6935 -7.6935 -6.7852 -6.7852 -6.7711 -6.7711 -5.9243 -5.9243 -5.9194 -5.9194 -5.9016 -5.9016 -5.8984 -5.8984 -1.3956 -1.3956 -0.6858 -0.6858 -0.6667 -0.6667 -0.1715 -0.1715 -0.1600 -0.1600 0.2877 0.2877 0.5370 0.5370 0.6071 0.6071 0.8485 0.8485 2.1840 2.1840 2.2260 2.2260 2.5717 2.5717 2.6109 2.6109 2.7095 2.7095 2.8271 2.8271 3.1563 3.1563 3.3615 3.3615 3.6519 3.6519 3.7836 3.7836 3.9247 3.9247 3.9880 3.9880 5.5219 5.5219 5.6066 5.6066 6.8307 6.8307 8.0459 8.0459 8.0496 8.0496 8.7303 8.7303 8.7656 8.7656 k = 0.0750 0.0433 0.1225 ( 10597 PWs) bands (ev): -22.0775 -22.0775 -22.0765 -22.0765 -8.7218 -8.7218 -7.8915 -7.8915 -7.8522 -7.8522 -7.8336 -7.8336 -7.7013 -7.7013 -7.6924 -7.6924 -6.7871 -6.7871 -6.7721 -6.7721 -5.9255 -5.9255 -5.9218 -5.9218 -5.9021 -5.9021 -5.8997 -5.8997 -1.4154 -1.4154 -0.6782 -0.6782 -0.6632 -0.6632 -0.1689 -0.1689 -0.1597 -0.1597 0.2842 0.2842 0.5344 0.5344 0.5900 0.5900 0.8287 0.8287 2.1991 2.1991 2.2297 2.2297 2.5821 2.5821 2.6317 2.6317 2.7112 2.7112 2.8172 2.8172 3.1536 3.1536 3.3834 3.3834 3.6916 3.6916 3.7939 3.7939 3.9548 3.9548 4.0024 4.0024 5.5559 5.5559 5.6238 5.6238 6.7825 6.7825 7.9805 7.9805 8.0087 8.0087 8.6948 8.6948 8.7231 8.7231 k = 0.0625 0.0361 0.1021 ( 10611 PWs) bands (ev): -22.0775 -22.0775 -22.0765 -22.0765 -8.7260 -8.7260 -7.8875 -7.8875 -7.8485 -7.8485 -7.8351 -7.8351 -7.6976 -7.6976 -7.6914 -7.6914 -6.7888 -6.7888 -6.7730 -6.7730 -5.9265 -5.9265 -5.9239 -5.9239 -5.9025 -5.9025 -5.9008 -5.9008 -1.4326 -1.4326 -0.6713 -0.6713 -0.6603 -0.6603 -0.1663 -0.1663 -0.1594 -0.1594 0.2813 0.2813 0.5321 0.5321 0.5733 0.5733 0.8129 0.8129 2.2120 2.2120 2.2331 2.2331 2.5909 2.5909 2.6513 2.6513 2.7127 2.7127 2.8072 2.8072 3.1514 3.1514 3.4021 3.4021 3.7280 3.7280 3.8026 3.8026 3.9812 3.9812 4.0149 4.0149 5.5875 5.5875 5.6382 5.6382 6.7406 6.7406 7.9233 7.9233 7.9736 7.9736 8.6647 8.6647 8.6857 8.6857 k = 0.0500 0.0289 0.0816 ( 10607 PWs) bands (ev): -22.0776 -22.0776 -22.0765 -22.0765 -8.7295 -8.7295 -7.8848 -7.8848 -7.8450 -7.8450 -7.8361 -7.8361 -7.6946 -7.6946 -7.6906 -7.6906 -6.7902 -6.7902 -6.7738 -6.7738 -5.9274 -5.9274 -5.9256 -5.9256 -5.9029 -5.9029 -5.9017 -5.9017 -1.4469 -1.4469 -0.6654 -0.6654 -0.6580 -0.6580 -0.1638 -0.1638 -0.1590 -0.1590 0.2789 0.2789 0.5301 0.5301 0.5579 0.5579 0.8008 0.8008 2.2226 2.2226 2.2360 2.2360 2.5981 2.5981 2.6696 2.6696 2.7140 2.7140 2.7970 2.7970 3.1496 3.1496 3.4175 3.4175 3.7599 3.7599 3.8096 3.8096 4.0034 4.0034 4.0252 4.0252 5.6154 5.6154 5.6499 5.6499 6.7056 6.7056 7.8752 7.8752 7.9446 7.9446 8.6399 8.6399 8.6541 8.6541 k = 0.0375 0.0217 0.0612 ( 10603 PWs) bands (ev): -22.0776 -22.0776 -22.0765 -22.0765 -8.7322 -8.7322 -7.8831 -7.8831 -7.8419 -7.8419 -7.8368 -7.8368 -7.6922 -7.6922 -7.6899 -7.6899 -6.7914 -6.7914 -6.7744 -6.7744 -5.9281 -5.9281 -5.9271 -5.9271 -5.9031 -5.9031 -5.9025 -5.9025 -1.4581 -1.4581 -0.6605 -0.6605 -0.6563 -0.6563 -0.1615 -0.1615 -0.1587 -0.1587 0.2772 0.2772 0.5285 0.5285 0.5448 0.5448 0.7920 0.7920 2.2308 2.2308 2.2383 2.2383 2.6037 2.6037 2.6863 2.6863 2.7150 2.7150 2.7868 2.7868 3.1482 3.1482 3.4296 3.4296 3.7861 3.7861 3.8150 3.8150 4.0209 4.0209 4.0333 4.0333 5.6385 5.6385 5.6589 5.6589 6.6778 6.6778 7.8369 7.8369 7.9218 7.9218 8.6206 8.6206 8.6289 8.6289 k = 0.0250 0.0144 0.0408 ( 10595 PWs) bands (ev): -22.0776 -22.0776 -22.0765 -22.0765 -8.7341 -8.7341 -7.8820 -7.8820 -7.8395 -7.8395 -7.8372 -7.8372 -7.6905 -7.6905 -7.6894 -7.6894 -6.7922 -6.7922 -6.7748 -6.7748 -5.9285 -5.9285 -5.9281 -5.9281 -5.9033 -5.9033 -5.9030 -5.9030 -1.4662 -1.4662 -0.6570 -0.6570 -0.6551 -0.6551 -0.1597 -0.1597 -0.1584 -0.1584 0.2759 0.2759 0.5273 0.5273 0.5347 0.5347 0.7860 0.7860 2.2367 2.2367 2.2400 2.2400 2.6076 2.6076 2.7009 2.7009 2.7158 2.7158 2.7770 2.7770 3.1472 3.1472 3.4382 3.4382 3.8057 3.8057 3.8188 3.8188 4.0336 4.0336 4.0391 4.0391 5.6558 5.6558 5.6652 5.6652 6.6576 6.6576 7.8091 7.8091 7.9053 7.9053 8.6068 8.6068 8.6106 8.6106 k = 0.0125 0.0072 0.0204 ( 10561 PWs) bands (ev): -22.0776 -22.0776 -22.0765 -22.0765 -8.7353 -8.7353 -7.8814 -7.8814 -7.8380 -7.8380 -7.8374 -7.8374 -7.6894 -7.6894 -7.6891 -7.6891 -6.7928 -6.7928 -6.7751 -6.7751 -5.9288 -5.9288 -5.9287 -5.9287 -5.9035 -5.9035 -5.9034 -5.9034 -1.4711 -1.4711 -0.6548 -0.6548 -0.6543 -0.6543 -0.1585 -0.1585 -0.1582 -0.1582 0.2752 0.2752 0.5265 0.5265 0.5284 0.5284 0.7826 0.7826 2.2403 2.2403 2.2411 2.2411 2.6099 2.6099 2.7119 2.7119 2.7163 2.7163 2.7688 2.7688 3.1467 3.1467 3.4434 3.4434 3.8178 3.8178 3.8212 3.8212 4.0412 4.0412 4.0426 4.0426 5.6666 5.6666 5.6690 5.6690 6.6454 6.6454 7.7922 7.7922 7.8954 7.8954 8.5985 8.5985 8.5994 8.5994 k = 0.0000 0.0000 0.0000 ( 10489 PWs) bands (ev): -22.0776 -22.0776 -22.0765 -22.0765 -8.7357 -8.7357 -7.8812 -7.8812 -7.8375 -7.8375 -7.8375 -7.8375 -7.6890 -7.6890 -7.6890 -7.6890 -6.7929 -6.7929 -6.7752 -6.7752 -5.9289 -5.9289 -5.9289 -5.9289 -5.9035 -5.9035 -5.9035 -5.9035 -1.4728 -1.4728 -0.6541 -0.6541 -0.6541 -0.6541 -0.1581 -0.1581 -0.1581 -0.1581 0.2749 0.2749 0.5263 0.5263 0.5263 0.5263 0.7815 0.7815 2.2415 2.2415 2.2415 2.2415 2.6107 2.6107 2.7164 2.7164 2.7164 2.7164 2.7653 2.7653 3.1465 3.1465 3.4452 3.4452 3.8219 3.8219 3.8219 3.8219 4.0438 4.0438 4.0438 4.0438 5.6703 5.6703 5.6703 5.6703 6.6413 6.6413 7.7865 7.7865 7.8921 7.8921 8.5957 8.5957 8.5957 8.5957 k = 0.0000 0.0000 0.0000 ( 10489 PWs) bands (ev): -22.0776 -22.0776 -22.0765 -22.0765 -8.7357 -8.7357 -7.8812 -7.8812 -7.8375 -7.8375 -7.8375 -7.8375 -7.6890 -7.6890 -7.6890 -7.6890 -6.7929 -6.7929 -6.7752 -6.7752 -5.9289 -5.9289 -5.9289 -5.9289 -5.9035 -5.9035 -5.9035 -5.9035 -1.4728 -1.4728 -0.6541 -0.6541 -0.6541 -0.6541 -0.1581 -0.1581 -0.1581 -0.1581 0.2749 0.2749 0.5263 0.5263 0.5263 0.5263 0.7815 0.7815 2.2415 2.2415 2.2415 2.2415 2.6107 2.6107 2.7164 2.7164 2.7164 2.7164 2.7653 2.7653 3.1465 3.1465 3.4452 3.4452 3.8219 3.8219 3.8219 3.8219 4.0438 4.0438 4.0438 4.0438 5.6703 5.6703 5.6703 5.6703 6.6413 6.6413 7.7865 7.7865 7.8921 7.8921 8.5957 8.5957 8.5957 8.5957 k = 0.0200 0.0115 0.0082 ( 10552 PWs) bands (ev): -22.0776 -22.0776 -22.0765 -22.0765 -8.7353 -8.7353 -7.8814 -7.8814 -7.8380 -7.8380 -7.8374 -7.8374 -7.6893 -7.6893 -7.6892 -7.6892 -6.7928 -6.7928 -6.7751 -6.7751 -5.9289 -5.9289 -5.9287 -5.9287 -5.9034 -5.9034 -5.9034 -5.9034 -1.4712 -1.4712 -0.6546 -0.6546 -0.6545 -0.6545 -0.1585 -0.1585 -0.1582 -0.1582 0.2752 0.2752 0.5264 0.5264 0.5284 0.5284 0.7825 0.7825 2.2403 2.2403 2.2411 2.2411 2.6100 2.6100 2.7122 2.7122 2.7162 2.7162 2.7687 2.7687 3.1467 3.1467 3.4435 3.4435 3.8181 3.8181 3.8211 3.8211 4.0415 4.0415 4.0425 4.0425 5.6674 5.6674 5.6684 5.6684 6.6452 6.6452 7.7920 7.7920 7.8953 7.8953 8.5988 8.5988 8.5988 8.5988 k = 0.0400 0.0231 0.0163 ( 10591 PWs) bands (ev): -22.0776 -22.0776 -22.0765 -22.0765 -8.7342 -8.7342 -7.8820 -7.8820 -7.8396 -7.8396 -7.8371 -7.8371 -7.6900 -7.6900 -7.6898 -7.6898 -6.7923 -6.7923 -6.7749 -6.7749 -5.9286 -5.9286 -5.9281 -5.9281 -5.9033 -5.9033 -5.9031 -5.9031 -1.4665 -1.4665 -0.6562 -0.6562 -0.6557 -0.6557 -0.1596 -0.1596 -0.1584 -0.1584 0.2759 0.2759 0.5268 0.5268 0.5348 0.5348 0.7859 0.7859 2.2368 2.2368 2.2402 2.2402 2.6077 2.6077 2.7016 2.7016 2.7154 2.7154 2.7768 2.7768 3.1472 3.1472 3.4385 3.4385 3.8066 3.8066 3.8187 3.8187 4.0346 4.0346 4.0387 4.0387 5.6591 5.6591 5.6628 5.6628 6.6570 6.6570 7.8082 7.8082 7.9048 7.9048 8.6080 8.6080 8.6083 8.6083 k = 0.0600 0.0346 0.0245 ( 10591 PWs) bands (ev): -22.0776 -22.0776 -22.0765 -22.0765 -8.7323 -8.7323 -7.8831 -7.8831 -7.8419 -7.8419 -7.8365 -7.8365 -7.6912 -7.6912 -7.6908 -7.6908 -6.7915 -6.7915 -6.7744 -6.7744 -5.9282 -5.9282 -5.9271 -5.9271 -5.9031 -5.9031 -5.9026 -5.9026 -1.4587 -1.4587 -0.6588 -0.6588 -0.6577 -0.6577 -0.1614 -0.1614 -0.1587 -0.1587 0.2771 0.2771 0.5271 0.5271 0.5453 0.5453 0.7917 0.7917 2.2309 2.2309 2.2388 2.2388 2.6039 2.6039 2.6875 2.6875 2.7142 2.7142 2.7869 2.7869 3.1480 3.1480 3.4303 3.4303 3.7881 3.7881 3.8147 3.8147 4.0232 4.0232 4.0323 4.0323 5.6456 5.6456 5.6537 5.6537 6.6762 6.6762 7.8349 7.8349 7.9206 7.9206 8.6233 8.6233 8.6238 8.6238 k = 0.0800 0.0462 0.0327 ( 10591 PWs) bands (ev): -22.0776 -22.0776 -22.0765 -22.0765 -8.7297 -8.7297 -7.8850 -7.8850 -7.8447 -7.8447 -7.8358 -7.8358 -7.6928 -7.6928 -7.6920 -7.6920 -6.7904 -6.7904 -6.7738 -6.7738 -5.9276 -5.9276 -5.9257 -5.9257 -5.9028 -5.9028 -5.9019 -5.9019 -1.4479 -1.4479 -0.6623 -0.6623 -0.6605 -0.6605 -0.1636 -0.1636 -0.1590 -0.1590 0.2788 0.2788 0.5268 0.5268 0.5595 0.5595 0.8003 0.8003 2.2227 2.2227 2.2368 2.2368 2.5986 2.5986 2.6712 2.6712 2.7125 2.7125 2.7977 2.7977 3.1492 3.1492 3.4187 3.4187 3.7632 3.7632 3.8090 3.8090 4.0075 4.0075 4.0234 4.0234 5.6273 5.6273 5.6415 5.6415 6.7028 6.7028 7.8717 7.8717 7.9424 7.9424 8.6444 8.6444 8.6453 8.6453 k = 0.1000 0.0577 0.0408 ( 10600 PWs) bands (ev): -22.0775 -22.0775 -22.0765 -22.0765 -8.7264 -8.7264 -7.8881 -7.8881 -7.8476 -7.8476 -7.8348 -7.8348 -7.6949 -7.6949 -7.6937 -7.6937 -6.7890 -6.7890 -6.7731 -6.7731 -5.9268 -5.9268 -5.9239 -5.9239 -5.9024 -5.9024 -5.9011 -5.9011 -1.4342 -1.4342 -0.6667 -0.6667 -0.6639 -0.6639 -0.1661 -0.1661 -0.1593 -0.1593 0.2810 0.2810 0.5254 0.5254 0.5773 0.5773 0.8122 0.8122 2.2121 2.2121 2.2344 2.2344 2.5918 2.5918 2.6531 2.6531 2.7104 2.7104 2.8091 2.8091 3.1507 3.1507 3.4041 3.4041 3.7329 3.7329 3.8017 3.8017 3.9878 3.9878 4.0119 4.0119 5.6048 5.6048 5.6266 5.6266 6.7361 6.7361 7.9178 7.9178 7.9702 7.9702 8.6710 8.6710 8.6724 8.6724 k = 0.1200 0.0693 0.0490 ( 10591 PWs) bands (ev): -22.0775 -22.0775 -22.0765 -22.0765 -8.7224 -8.7224 -7.8929 -7.8929 -7.8499 -7.8499 -7.8336 -7.8336 -7.6974 -7.6974 -7.6957 -7.6957 -6.7874 -6.7874 -6.7722 -6.7722 -5.9259 -5.9259 -5.9218 -5.9218 -5.9020 -5.9020 -5.9000 -5.9000 -1.4178 -1.4178 -0.6718 -0.6718 -0.6681 -0.6681 -0.1687 -0.1687 -0.1595 -0.1595 0.2838 0.2838 0.5225 0.5225 0.5982 0.5982 0.8276 0.8276 2.1990 2.1990 2.2316 2.2316 2.5834 2.5834 2.6336 2.6336 2.7079 2.7079 2.8209 2.8209 3.1525 3.1525 3.3863 3.3863 3.6983 3.6983 3.7926 3.7926 3.9646 3.9646 3.9980 3.9980 5.5789 5.5789 5.6094 5.6094 6.7758 6.7758 7.9726 7.9726 8.0037 8.0037 8.7027 8.7027 8.7048 8.7048 k = 0.1400 0.0808 0.0572 ( 10588 PWs) bands (ev): -22.0775 -22.0775 -22.0765 -22.0765 -8.7177 -8.7177 -7.8995 -7.8995 -7.8513 -7.8513 -7.8322 -7.8322 -7.7003 -7.7003 -7.6980 -7.6980 -6.7855 -6.7855 -6.7712 -6.7712 -5.9248 -5.9248 -5.9194 -5.9194 -5.9015 -5.9015 -5.8989 -5.8989 -1.3987 -1.3987 -0.6776 -0.6776 -0.6728 -0.6728 -0.1712 -0.1712 -0.1596 -0.1596 0.2871 0.2871 0.5177 0.5177 0.6218 0.6218 0.8467 0.8467 2.1836 2.1836 2.2287 2.2287 2.5735 2.5735 2.6128 2.6128 2.7050 2.7050 2.8331 2.8331 3.1546 3.1546 3.3657 3.3657 3.6604 3.6604 3.7814 3.7814 3.9383 3.9383 3.9819 3.9819 5.5503 5.5503 5.5906 5.5906 6.8214 6.8214 8.0351 8.0351 8.0427 8.0427 8.7392 8.7392 8.7420 8.7420 k = 0.1600 0.0924 0.0653 ( 10576 PWs) bands (ev): -22.0775 -22.0775 -22.0765 -22.0765 -8.7124 -8.7124 -7.9080 -7.9080 -7.8518 -7.8518 -7.8306 -7.8306 -7.7036 -7.7036 -7.7006 -7.7006 -6.7835 -6.7835 -6.7701 -6.7701 -5.9237 -5.9237 -5.9168 -5.9168 -5.9009 -5.9009 -5.8976 -5.8976 -1.3774 -1.3774 -0.6840 -0.6840 -0.6781 -0.6781 -0.1735 -0.1735 -0.1594 -0.1594 0.2909 0.2909 0.5109 0.5109 0.6476 0.6476 0.8694 0.8694 2.1657 2.1657 2.2257 2.2257 2.5622 2.5622 2.5909 2.5909 2.7017 2.7017 2.8458 2.8458 3.1570 3.1570 3.3422 3.3422 3.6204 3.6204 3.7678 3.7678 3.9101 3.9101 3.9635 3.9635 5.5198 5.5198 5.5706 5.5706 6.8723 6.8723 8.0866 8.0866 8.1044 8.1044 8.7800 8.7800 8.7837 8.7837 k = 0.1800 0.1039 0.0735 ( 10561 PWs) bands (ev): -22.0775 -22.0775 -22.0766 -22.0766 -8.7065 -8.7065 -7.9181 -7.9181 -7.8514 -7.8514 -7.8288 -7.8288 -7.7072 -7.7072 -7.7036 -7.7036 -6.7814 -6.7814 -6.7689 -6.7689 -5.9224 -5.9224 -5.9139 -5.9139 -5.9004 -5.9004 -5.8962 -5.8962 -1.3539 -1.3539 -0.6907 -0.6907 -0.6838 -0.6838 -0.1755 -0.1755 -0.1588 -0.1588 0.2952 0.2952 0.5022 0.5022 0.6752 0.6752 0.8955 0.8955 2.1455 2.1455 2.2230 2.2230 2.5496 2.5496 2.5680 2.5680 2.6982 2.6982 2.8591 2.8591 3.1597 3.1597 3.3161 3.3161 3.5794 3.5794 3.7507 3.7507 3.8812 3.8812 3.9431 3.9431 5.4880 5.4880 5.5500 5.5500 6.9280 6.9280 8.1352 8.1352 8.1794 8.1794 8.8246 8.8246 8.8292 8.8292 k = 0.2000 0.1155 0.0816 ( 10555 PWs) bands (ev): -22.0775 -22.0775 -22.0766 -22.0766 -8.7001 -8.7001 -7.9294 -7.9294 -7.8503 -7.8503 -7.8268 -7.8268 -7.7112 -7.7112 -7.7068 -7.7068 -6.7792 -6.7792 -6.7675 -6.7675 -5.9210 -5.9210 -5.9110 -5.9110 -5.8998 -5.8998 -5.8947 -5.8947 -1.3285 -1.3285 -0.6977 -0.6977 -0.6899 -0.6899 -0.1770 -0.1770 -0.1578 -0.1578 0.3000 0.3000 0.4918 0.4918 0.7042 0.7042 0.9247 0.9247 2.1230 2.1230 2.2205 2.2205 2.5354 2.5354 2.5447 2.5447 2.6943 2.6943 2.8730 2.8730 3.1627 3.1627 3.2877 3.2877 3.5384 3.5384 3.7292 3.7292 3.8534 3.8534 3.9208 3.9208 5.4558 5.4558 5.5292 5.5292 6.9882 6.9882 8.1880 8.1880 8.2589 8.2589 8.8726 8.8726 8.8782 8.8782 k = 0.2200 0.1270 0.0898 ( 10558 PWs) bands (ev): -22.0774 -22.0774 -22.0766 -22.0766 -8.6933 -8.6933 -7.9418 -7.9418 -7.8487 -7.8487 -7.8246 -7.8246 -7.7155 -7.7155 -7.7102 -7.7102 -6.7769 -6.7769 -6.7661 -6.7661 -5.9195 -5.9195 -5.9079 -5.9079 -5.8992 -5.8992 -5.8931 -5.8931 -1.3017 -1.3017 -0.7048 -0.7048 -0.6962 -0.6962 -0.1781 -0.1781 -0.1563 -0.1563 0.3051 0.3051 0.4798 0.4798 0.7341 0.7341 0.9565 0.9565 2.0983 2.0983 2.2187 2.2187 2.5164 2.5164 2.5248 2.5248 2.6901 2.6901 2.8874 2.8874 3.1659 3.1659 3.2573 3.2573 3.4983 3.4983 3.7020 3.7020 3.8284 3.8284 3.8970 3.8970 5.4236 5.4236 5.5086 5.5086 7.0521 7.0521 8.2442 8.2442 8.3419 8.3419 8.9233 8.9233 8.9301 8.9301 k = 0.2400 0.1386 0.0980 ( 10570 PWs) bands (ev): -22.0774 -22.0774 -22.0766 -22.0766 -8.6861 -8.6861 -7.9549 -7.9549 -7.8465 -7.8465 -7.8221 -7.8221 -7.7201 -7.7201 -7.7139 -7.7139 -6.7747 -6.7747 -6.7647 -6.7647 -5.9180 -5.9180 -5.9048 -5.9048 -5.8986 -5.8986 -5.8914 -5.8914 -1.2737 -1.2737 -0.7120 -0.7120 -0.7026 -0.7026 -0.1786 -0.1786 -0.1543 -0.1543 0.3104 0.3104 0.4665 0.4665 0.7643 0.7643 0.9904 0.9904 2.0716 2.0716 2.2177 2.2177 2.4921 2.4921 2.5090 2.5090 2.6856 2.6856 2.9024 2.9024 3.1687 3.1687 3.2258 3.2258 3.4599 3.4599 3.6690 3.6690 3.8073 3.8073 3.8718 3.8718 5.3921 5.3921 5.4885 5.4885 7.1194 7.1194 8.3033 8.3033 8.4270 8.4270 8.9764 8.9764 8.9844 8.9844 k = 0.2600 0.1501 0.1061 ( 10549 PWs) bands (ev): -22.0774 -22.0774 -22.0766 -22.0766 -8.6785 -8.6785 -7.9684 -7.9684 -7.8440 -7.8440 -7.8195 -7.8195 -7.7249 -7.7249 -7.7178 -7.7178 -6.7725 -6.7725 -6.7632 -6.7632 -5.9165 -5.9165 -5.9017 -5.9017 -5.8981 -5.8981 -5.8898 -5.8898 -1.2450 -1.2450 -0.7191 -0.7191 -0.7090 -0.7090 -0.1787 -0.1787 -0.1517 -0.1517 0.3158 0.3158 0.4525 0.4525 0.7946 0.7946 1.0259 1.0259 2.0433 2.0433 2.2177 2.2177 2.4666 2.4666 2.4939 2.4939 2.6808 2.6808 2.9179 2.9179 3.1684 3.1684 3.1963 3.1963 3.4238 3.4238 3.6310 3.6310 3.7897 3.7897 3.8455 3.8455 5.3618 5.3618 5.4693 5.4693 7.1896 7.1896 8.3644 8.3644 8.5132 8.5132 9.0315 9.0315 9.0406 9.0406 k = 0.2800 0.1617 0.1143 ( 10549 PWs) bands (ev): -22.0774 -22.0774 -22.0767 -22.0767 -8.6708 -8.6708 -7.9822 -7.9822 -7.8411 -7.8411 -7.8167 -7.8167 -7.7299 -7.7299 -7.7219 -7.7219 -6.7704 -6.7704 -6.7617 -6.7617 -5.9149 -5.9149 -5.8987 -5.8987 -5.8976 -5.8976 -5.8881 -5.8881 -1.2159 -1.2159 -0.7259 -0.7259 -0.7154 -0.7154 -0.1784 -0.1784 -0.1485 -0.1485 0.3210 0.3210 0.4379 0.4379 0.8243 0.8243 1.0625 1.0625 2.0137 2.0137 2.2190 2.2190 2.4412 2.4412 2.4788 2.4788 2.6755 2.6755 2.9339 2.9339 3.1487 3.1487 3.1856 3.1856 3.3903 3.3903 3.5898 3.5898 3.7750 3.7750 3.8185 3.8185 5.3330 5.3330 5.4511 5.4511 7.2619 7.2619 8.4263 8.4263 8.5991 8.5991 9.0882 9.0882 9.0985 9.0985 k = 0.3000 0.1732 0.1225 ( 10549 PWs) bands (ev): -22.0773 -22.0773 -22.0767 -22.0767 -8.6629 -8.6629 -7.9959 -7.9959 -7.8380 -7.8380 -7.8137 -7.8137 -7.7351 -7.7351 -7.7261 -7.7261 -6.7684 -6.7684 -6.7601 -6.7601 -5.9133 -5.9133 -5.8971 -5.8971 -5.8958 -5.8958 -5.8865 -5.8865 -1.1870 -1.1870 -0.7325 -0.7325 -0.7215 -0.7215 -0.1777 -0.1777 -0.1446 -0.1446 0.3258 0.3258 0.4234 0.4234 0.8531 0.8531 1.0996 1.0996 1.9832 1.9832 2.2218 2.2218 2.4162 2.4162 2.4638 2.4638 2.6698 2.6698 2.9502 2.9502 3.1157 3.1157 3.1880 3.1880 3.3599 3.3599 3.5467 3.5467 3.7625 3.7625 3.7910 3.7910 5.3060 5.3060 5.4342 5.4342 7.3359 7.3359 8.4878 8.4878 8.6833 8.6833 9.1462 9.1462 9.1576 9.1576 k = 0.3200 0.1848 0.1306 ( 10549 PWs) bands (ev): -22.0773 -22.0773 -22.0767 -22.0767 -8.6551 -8.6551 -8.0094 -8.0094 -7.8345 -7.8345 -7.8105 -7.8105 -7.7405 -7.7405 -7.7305 -7.7305 -6.7666 -6.7666 -6.7586 -6.7586 -5.9117 -5.9117 -5.8967 -5.8967 -5.8930 -5.8930 -5.8849 -5.8849 -1.1587 -1.1587 -0.7387 -0.7387 -0.7274 -0.7274 -0.1767 -0.1767 -0.1401 -0.1401 0.3297 0.3297 0.4096 0.4096 0.8805 0.8805 1.1366 1.1366 1.9526 1.9526 2.2261 2.2261 2.3924 2.3924 2.4491 2.4491 2.6636 2.6636 2.9666 2.9666 3.0810 3.0810 3.1921 3.1921 3.3328 3.3328 3.5032 3.5032 3.7516 3.7516 3.7634 3.7634 5.2812 5.2812 5.4187 5.4187 7.4107 7.4107 8.5474 8.5474 8.7647 8.7647 9.2053 9.2053 9.2178 9.2178 k = 0.3400 0.1963 0.1388 ( 10540 PWs) bands (ev): -22.0773 -22.0773 -22.0768 -22.0768 -8.6475 -8.6475 -8.0223 -8.0223 -7.8308 -7.8308 -7.8071 -7.8071 -7.7460 -7.7460 -7.7349 -7.7349 -6.7650 -6.7650 -6.7571 -6.7571 -5.9102 -5.9102 -5.8964 -5.8964 -5.8905 -5.8905 -5.8833 -5.8833 -1.1315 -1.1315 -0.7444 -0.7444 -0.7329 -0.7329 -0.1755 -0.1755 -0.1350 -0.1350 0.3317 0.3317 0.3975 0.3975 0.9062 0.9062 1.1728 1.1728 1.9223 1.9223 2.2320 2.2320 2.3701 2.3701 2.4346 2.4346 2.6569 2.6569 2.9829 2.9829 3.0471 3.0471 3.1960 3.1960 3.3095 3.3095 3.4605 3.4605 3.7361 3.7361 3.7421 3.7421 5.2586 5.2586 5.4046 5.4046 7.4856 7.4856 8.6029 8.6029 8.8420 8.8420 9.2652 9.2652 9.2786 9.2786 k = 0.3600 0.2078 0.1470 ( 10561 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.6402 -8.6402 -8.0345 -8.0345 -7.8268 -7.8268 -7.8036 -7.8036 -7.7515 -7.7515 -7.7395 -7.7395 -6.7635 -6.7635 -6.7557 -6.7557 -5.9087 -5.9087 -5.8962 -5.8962 -5.8883 -5.8883 -5.8818 -5.8818 -1.1061 -1.1061 -0.7495 -0.7495 -0.7379 -0.7379 -0.1742 -0.1742 -0.1294 -0.1294 0.3309 0.3309 0.3884 0.3884 0.9297 0.9297 1.2074 1.2074 1.8932 1.8932 2.2394 2.2394 2.3499 2.3499 2.4205 2.4205 2.6497 2.6497 2.9970 2.9970 3.0169 3.0169 3.1980 3.1980 3.2910 3.2910 3.4198 3.4198 3.7096 3.7096 3.7337 3.7337 5.2385 5.2385 5.3921 5.3921 7.5594 7.5594 8.6519 8.6519 8.9138 8.9138 9.3258 9.3258 9.3399 9.3399 k = 0.3800 0.2194 0.1551 ( 10561 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.6334 -8.6334 -8.0458 -8.0458 -7.8226 -7.8226 -7.8000 -7.8000 -7.7571 -7.7571 -7.7440 -7.7440 -6.7623 -6.7623 -6.7544 -6.7544 -5.9073 -5.9073 -5.8961 -5.8961 -5.8863 -5.8863 -5.8804 -5.8804 -1.0827 -1.0827 -0.7541 -0.7541 -0.7425 -0.7425 -0.1729 -0.1729 -0.1236 -0.1236 0.3265 0.3265 0.3832 0.3832 0.9507 0.9507 1.2398 1.2398 1.8659 1.8659 2.2480 2.2480 2.3321 2.3321 2.4070 2.4070 2.6420 2.6420 2.9811 2.9811 3.0188 3.0188 3.1965 3.1965 3.2787 3.2787 3.3820 3.3820 3.6843 3.6843 3.7266 3.7266 5.2209 5.2209 5.3812 5.3812 7.6309 7.6309 8.6920 8.6920 8.9792 8.9792 9.3868 9.3868 9.4005 9.4005 k = 0.4000 0.2309 0.1633 ( 10537 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.6272 -8.6272 -8.0558 -8.0558 -7.8183 -7.8183 -7.7962 -7.7962 -7.7626 -7.7626 -7.7486 -7.7486 -6.7612 -6.7612 -6.7532 -6.7532 -5.9060 -5.9060 -5.8960 -5.8960 -5.8846 -5.8846 -5.8791 -5.8791 -1.0621 -1.0621 -0.7580 -0.7580 -0.7464 -0.7464 -0.1716 -0.1716 -0.1177 -0.1177 0.3192 0.3192 0.3815 0.3815 0.9689 0.9689 1.2691 1.2691 1.8413 1.8413 2.2575 2.2575 2.3172 2.3172 2.3942 2.3942 2.6341 2.6341 2.9546 2.9546 3.0343 3.0343 3.1901 3.1901 3.2733 3.2733 3.3482 3.3482 3.6608 3.6608 3.7205 3.7205 5.2060 5.2060 5.3719 5.3719 7.6985 7.6985 8.7209 8.7209 9.0374 9.0374 9.4206 9.4206 9.4481 9.4481 k = 0.4200 0.2425 0.1715 ( 10543 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.6219 -8.6219 -8.0644 -8.0644 -7.8138 -7.8138 -7.7924 -7.7924 -7.7681 -7.7681 -7.7531 -7.7531 -6.7603 -6.7603 -6.7522 -6.7522 -5.9048 -5.9048 -5.8961 -5.8961 -5.8833 -5.8833 -5.8779 -5.8779 -1.0445 -1.0445 -0.7612 -0.7612 -0.7497 -0.7497 -0.1704 -0.1704 -0.1121 -0.1121 0.3108 0.3108 0.3819 0.3819 0.9841 0.9841 1.2945 1.2945 1.8200 1.8200 2.2671 2.2671 2.3053 2.3053 2.3825 2.3825 2.6263 2.6263 2.9312 2.9312 3.0500 3.0500 3.1795 3.1795 3.2736 3.2736 3.3191 3.3191 3.6398 3.6398 3.7155 3.7155 5.1937 5.1937 5.3643 5.3643 7.7600 7.7600 8.7377 8.7377 9.0875 9.0875 9.4130 9.4130 9.5092 9.5092 k = 0.4400 0.2540 0.1796 ( 10549 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.6175 -8.6175 -8.0713 -8.0713 -7.8093 -7.8093 -7.7886 -7.7886 -7.7735 -7.7735 -7.7574 -7.7574 -6.7597 -6.7597 -6.7514 -6.7514 -5.9038 -5.9038 -5.8962 -5.8962 -5.8823 -5.8823 -5.8770 -5.8770 -1.0304 -1.0304 -0.7637 -0.7637 -0.7523 -0.7523 -0.1694 -0.1694 -0.1071 -0.1071 0.3028 0.3028 0.3831 0.3831 0.9961 0.9961 1.3153 1.3153 1.8026 1.8026 2.2762 2.2762 2.2964 2.2964 2.3724 2.3724 2.6190 2.6190 2.9123 2.9123 3.0653 3.0653 3.1667 3.1667 3.2767 3.2767 3.2957 3.2957 3.6221 3.6221 3.7116 3.7116 5.1841 5.1841 5.3584 5.3584 7.8129 7.8129 8.7438 8.7438 9.1288 9.1288 9.4088 9.4088 9.5695 9.5695 k = 0.4600 0.2656 0.1878 ( 10552 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.6143 -8.6143 -8.0764 -8.0764 -7.8049 -7.8049 -7.7849 -7.7849 -7.7784 -7.7784 -7.7615 -7.7615 -6.7592 -6.7592 -6.7508 -6.7508 -5.9031 -5.9031 -5.8963 -5.8963 -5.8816 -5.8816 -5.8763 -5.8763 -1.0201 -1.0201 -0.7655 -0.7655 -0.7541 -0.7541 -0.1687 -0.1687 -0.1032 -0.1032 0.2963 0.2963 0.3843 0.3843 1.0048 1.0048 1.3308 1.3308 1.7898 1.7898 2.2836 2.2836 2.2903 2.2903 2.3645 2.3645 2.6131 2.6131 2.8983 2.8983 3.0797 3.0797 3.1535 3.1535 3.2784 3.2784 3.2806 3.2806 3.6086 3.6086 3.7089 3.7089 5.1773 5.1773 5.3541 5.3541 7.8541 7.8541 8.7430 8.7430 9.1601 9.1601 9.4073 9.4073 9.6272 9.6272 k = 0.4800 0.2771 0.1960 ( 10551 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6123 -8.6123 -8.0795 -8.0795 -7.8011 -7.8011 -7.7825 -7.7825 -7.7820 -7.7820 -7.7647 -7.7647 -6.7589 -6.7589 -6.7505 -6.7505 -5.9026 -5.9026 -5.8964 -5.8964 -5.8812 -5.8812 -5.8758 -5.8758 -1.0138 -1.0138 -0.7666 -0.7666 -0.7553 -0.7553 -0.1682 -0.1682 -0.1007 -0.1007 0.2922 0.2922 0.3852 0.3852 1.0100 1.0100 1.3403 1.3403 1.7820 1.7820 2.2869 2.2869 2.2886 2.2886 2.3594 2.3594 2.6092 2.6092 2.8897 2.8897 3.0918 3.0918 3.1418 3.1418 3.2679 3.2679 3.2836 3.2836 3.6000 3.6000 3.7072 3.7072 5.1732 5.1732 5.3516 5.3516 7.8805 7.8805 8.7398 8.7398 9.1798 9.1798 9.4072 9.4072 9.6773 9.6773 k = 0.5000 0.2887 0.2041 ( 10542 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6116 -8.6116 -8.0805 -8.0805 -7.7994 -7.7994 -7.7843 -7.7843 -7.7807 -7.7807 -7.7660 -7.7660 -6.7588 -6.7588 -6.7503 -6.7503 -5.9024 -5.9024 -5.8964 -5.8964 -5.8810 -5.8810 -5.8757 -5.8757 -1.0117 -1.0117 -0.7670 -0.7670 -0.7556 -0.7556 -0.1681 -0.1681 -0.0998 -0.0998 0.2908 0.2908 0.3855 0.3855 1.0118 1.0118 1.3435 1.3435 1.7793 1.7793 2.2858 2.2858 2.2903 2.2903 2.3576 2.3576 2.6078 2.6078 2.8869 2.8869 3.0974 3.0974 3.1364 3.1364 3.2644 3.2644 3.2847 3.2847 3.5971 3.5971 3.7066 3.7066 5.1718 5.1718 5.3507 5.3507 7.8896 7.8896 8.7383 8.7383 9.1866 9.1866 9.4073 9.4073 9.7013 9.7013 k = 0.5000 0.2887 0.2041 ( 10542 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6116 -8.6116 -8.0805 -8.0805 -7.7994 -7.7994 -7.7843 -7.7843 -7.7807 -7.7807 -7.7660 -7.7660 -6.7588 -6.7588 -6.7503 -6.7503 -5.9024 -5.9024 -5.8964 -5.8964 -5.8810 -5.8810 -5.8757 -5.8757 -1.0117 -1.0117 -0.7670 -0.7670 -0.7556 -0.7556 -0.1681 -0.1681 -0.0998 -0.0998 0.2908 0.2908 0.3855 0.3855 1.0118 1.0118 1.3435 1.3435 1.7793 1.7793 2.2858 2.2858 2.2903 2.2903 2.3576 2.3576 2.6078 2.6078 2.8869 2.8869 3.0974 3.0974 3.1364 3.1364 3.2644 3.2644 3.2847 3.2847 3.5971 3.5971 3.7066 3.7066 5.1718 5.1718 5.3507 5.3507 7.8896 7.8896 8.7383 8.7383 9.1866 9.1866 9.4073 9.4073 9.7013 9.7013 k = 0.5069 0.2686 0.2155 ( 10557 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6114 -8.6114 -8.0803 -8.0803 -7.8013 -7.8013 -7.7858 -7.7858 -7.7792 -7.7792 -7.7649 -7.7649 -6.7587 -6.7587 -6.7503 -6.7503 -5.9023 -5.9023 -5.8964 -5.8964 -5.8810 -5.8810 -5.8757 -5.8757 -1.0106 -1.0106 -0.7674 -0.7674 -0.7560 -0.7560 -0.1681 -0.1681 -0.1005 -0.1005 0.2939 0.2939 0.3854 0.3854 1.0115 1.0115 1.3428 1.3428 1.7797 1.7797 2.2857 2.2857 2.2898 2.2898 2.3571 2.3571 2.6081 2.6081 2.8859 2.8859 3.0957 3.0957 3.1349 3.1349 3.2577 3.2577 3.2935 3.2935 3.5956 3.5956 3.7056 3.7056 5.1705 5.1705 5.3486 5.3486 7.8921 7.8921 8.7418 8.7418 9.1901 9.1901 9.4133 9.4133 9.7036 9.7036 k = 0.5139 0.2486 0.2268 ( 10546 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6108 -8.6108 -8.0798 -8.0798 -7.8057 -7.8057 -7.7895 -7.7895 -7.7758 -7.7758 -7.7622 -7.7622 -6.7586 -6.7586 -6.7502 -6.7502 -5.9020 -5.9020 -5.8963 -5.8963 -5.8808 -5.8808 -5.8756 -5.8756 -1.0073 -1.0073 -0.7690 -0.7690 -0.7568 -0.7568 -0.1684 -0.1684 -0.1023 -0.1023 0.3031 0.3031 0.3851 0.3851 1.0109 1.0109 1.3406 1.3406 1.7808 1.7808 2.2850 2.2850 2.2885 2.2885 2.3555 2.3555 2.6090 2.6090 2.8831 2.8831 3.0906 3.0906 3.1308 3.1308 3.2482 3.2482 3.3095 3.3095 3.5912 3.5912 3.7027 3.7027 5.1664 5.1664 5.3428 5.3428 7.8998 7.8998 8.7525 8.7525 9.2006 9.2006 9.4311 9.4311 9.7097 9.7097 k = 0.5208 0.2285 0.2381 ( 10540 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6098 -8.6098 -8.0789 -8.0789 -7.8113 -7.8113 -7.7942 -7.7942 -7.7719 -7.7719 -7.7588 -7.7588 -6.7583 -6.7583 -6.7500 -6.7500 -5.9016 -5.9016 -5.8961 -5.8961 -5.8806 -5.8806 -5.8755 -5.8755 -1.0018 -1.0018 -0.7724 -0.7724 -0.7571 -0.7571 -0.1688 -0.1688 -0.1052 -0.1052 0.3180 0.3180 0.3846 0.3846 1.0098 1.0098 1.3369 1.3369 1.7826 1.7826 2.2829 2.2829 2.2874 2.2874 2.3529 2.3529 2.6104 2.6104 2.8784 2.8784 3.0817 3.0817 3.1251 3.1251 3.2404 3.2404 3.3273 3.3273 3.5841 3.5841 3.6979 3.6979 5.1586 5.1586 5.3343 5.3343 7.9123 7.9123 8.7700 8.7700 9.2179 9.2179 9.4603 9.4603 9.7177 9.7177 k = 0.5278 0.2085 0.2495 ( 10545 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6085 -8.6085 -8.0776 -8.0776 -7.8177 -7.8177 -7.7995 -7.7995 -7.7682 -7.7682 -7.7553 -7.7553 -6.7578 -6.7578 -6.7498 -6.7498 -5.9010 -5.9010 -5.8959 -5.8959 -5.8803 -5.8803 -5.8753 -5.8753 -0.9944 -0.9944 -0.7779 -0.7779 -0.7566 -0.7566 -0.1692 -0.1692 -0.1089 -0.1089 0.3380 0.3380 0.3841 0.3841 1.0082 1.0082 1.3320 1.3320 1.7850 1.7850 2.2792 2.2792 2.2870 2.2870 2.3494 2.3494 2.6123 2.6123 2.8718 2.8718 3.0694 3.0694 3.1187 3.1187 3.2344 3.2344 3.3456 3.3456 3.5745 3.5745 3.6916 3.6916 5.1461 5.1461 5.3250 5.3250 7.9297 7.9297 8.7942 8.7942 9.2417 9.2417 9.5000 9.5000 9.7261 9.7261 k = 0.5347 0.1884 0.2608 ( 10548 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6068 -8.6068 -8.0760 -8.0760 -7.8244 -7.8244 -7.8050 -7.8050 -7.7651 -7.7651 -7.7517 -7.7517 -6.7573 -6.7573 -6.7495 -6.7495 -5.9003 -5.9003 -5.8956 -5.8956 -5.8800 -5.8800 -5.8751 -5.8751 -0.9853 -0.9853 -0.7851 -0.7851 -0.7552 -0.7552 -0.1696 -0.1696 -0.1132 -0.1132 0.3620 0.3620 0.3837 0.3837 1.0060 1.0060 1.3257 1.3257 1.7880 1.7880 2.2743 2.2743 2.2866 2.2866 2.3450 2.3450 2.6146 2.6146 2.8634 2.8634 3.0543 3.0543 3.1122 3.1122 3.2297 3.2297 3.3636 3.3636 3.5630 3.5630 3.6839 3.6839 5.1274 5.1274 5.3169 5.3169 7.9515 7.9515 8.8246 8.8246 9.2713 9.2713 9.5490 9.5490 9.7343 9.7343 k = 0.5417 0.1684 0.2722 ( 10549 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6048 -8.6048 -8.0741 -8.0741 -7.8315 -7.8315 -7.8106 -7.8106 -7.7628 -7.7628 -7.7480 -7.7480 -6.7567 -6.7567 -6.7492 -6.7492 -5.8995 -5.8995 -5.8952 -5.8952 -5.8795 -5.8795 -5.8748 -5.8748 -0.9747 -0.9747 -0.7933 -0.7933 -0.7533 -0.7533 -0.1700 -0.1700 -0.1177 -0.1177 0.3802 0.3802 0.3929 0.3929 1.0034 1.0034 1.3181 1.3181 1.7914 1.7914 2.2688 2.2688 2.2859 2.2859 2.3401 2.3401 2.6171 2.6171 2.8534 2.8534 3.0375 3.0375 3.1055 3.1055 3.2256 3.2256 3.3806 3.3806 3.5503 3.5503 3.6753 3.6753 5.1022 5.1022 5.3113 5.3113 7.9775 7.9775 8.8609 8.8609 9.3063 9.3063 9.6054 9.6054 9.7420 9.7420 k = 0.5486 0.1483 0.2835 ( 10558 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6026 -8.6026 -8.0719 -8.0719 -7.8387 -7.8387 -7.8161 -7.8161 -7.7614 -7.7614 -7.7441 -7.7441 -6.7561 -6.7561 -6.7488 -6.7488 -5.8986 -5.8986 -5.8947 -5.8947 -5.8791 -5.8791 -5.8745 -5.8745 -0.9633 -0.9633 -0.8018 -0.8018 -0.7509 -0.7509 -0.1702 -0.1702 -0.1223 -0.1223 0.3806 0.3806 0.4230 0.4230 1.0002 1.0002 1.3095 1.3095 1.7950 1.7950 2.2628 2.2628 2.2848 2.2848 2.3351 2.3351 2.6198 2.6198 2.8421 2.8421 3.0195 3.0195 3.0985 3.0985 3.2216 3.2216 3.3958 3.3958 3.5375 3.5375 3.6662 3.6662 5.0705 5.0705 5.3091 5.3091 8.0072 8.0072 8.9025 8.9025 9.3457 9.3457 9.6672 9.6672 9.7486 9.7486 k = 0.5556 0.1283 0.2948 ( 10572 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6001 -8.6001 -8.0694 -8.0694 -7.8460 -7.8460 -7.8216 -7.8216 -7.7608 -7.7608 -7.7401 -7.7401 -6.7554 -6.7554 -6.7483 -6.7483 -5.8978 -5.8978 -5.8941 -5.8941 -5.8786 -5.8786 -5.8740 -5.8740 -0.9518 -0.9518 -0.8099 -0.8099 -0.7481 -0.7481 -0.1702 -0.1702 -0.1270 -0.1270 0.3800 0.3800 0.4563 0.4563 0.9965 0.9965 1.2998 1.2998 1.7987 1.7987 2.2565 2.2565 2.2830 2.2830 2.3303 2.3303 2.6226 2.6226 2.8299 2.8299 3.0011 3.0011 3.0912 3.0912 3.2173 3.2173 3.4079 3.4079 3.5260 3.5260 3.6571 3.6571 5.0335 5.0335 5.3101 5.3101 8.0402 8.0402 8.9492 8.9492 9.3886 9.3886 9.7313 9.7313 9.7543 9.7543 k = 0.5625 0.1083 0.3062 ( 10565 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5975 -8.5975 -8.0667 -8.0667 -7.8532 -7.8532 -7.8269 -7.8269 -7.7611 -7.7611 -7.7361 -7.7361 -6.7547 -6.7547 -6.7478 -6.7478 -5.8970 -5.8970 -5.8934 -5.8934 -5.8782 -5.8782 -5.8736 -5.8736 -0.9412 -0.9412 -0.8164 -0.8164 -0.7450 -0.7450 -0.1699 -0.1699 -0.1316 -0.1316 0.3793 0.3793 0.4911 0.4911 0.9924 0.9924 1.2892 1.2892 1.8023 1.8023 2.2499 2.2499 2.2805 2.2805 2.3263 2.3263 2.6252 2.6252 2.8175 2.8175 2.9824 2.9824 3.0835 3.0835 3.2123 3.2123 3.4152 3.4152 3.5178 3.5178 3.6486 3.6486 4.9926 4.9926 5.3139 5.3139 8.0758 8.0758 9.0002 9.0002 9.4336 9.4336 9.7560 9.7560 9.7971 9.7971 k = 0.5694 0.0882 0.3175 ( 10561 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5948 -8.5948 -8.0638 -8.0638 -7.8602 -7.8602 -7.8320 -7.8320 -7.7622 -7.7622 -7.7321 -7.7321 -6.7540 -6.7540 -6.7472 -6.7472 -5.8963 -5.8963 -5.8925 -5.8925 -5.8777 -5.8777 -5.8730 -5.8730 -0.9330 -0.9330 -0.8200 -0.8200 -0.7416 -0.7416 -0.1694 -0.1694 -0.1359 -0.1359 0.3787 0.3787 0.5266 0.5266 0.9882 0.9882 1.2777 1.2777 1.8055 1.8055 2.2429 2.2429 2.2775 2.2775 2.3233 2.3233 2.6275 2.6275 2.8056 2.8056 2.9634 2.9634 3.0755 3.0755 3.2063 3.2063 3.4165 3.4165 3.5142 3.5142 3.6417 3.6417 4.9492 4.9492 5.3200 5.3200 8.1135 8.1135 9.0550 9.0550 9.4793 9.4793 9.7574 9.7574 9.8584 9.8584 k = 0.5764 0.0682 0.3289 ( 10552 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5921 -8.5921 -8.0607 -8.0607 -7.8668 -7.8668 -7.8369 -7.8369 -7.7640 -7.7640 -7.7282 -7.7282 -6.7533 -6.7533 -6.7466 -6.7466 -5.8958 -5.8958 -5.8916 -5.8916 -5.8773 -5.8773 -5.8724 -5.8724 -0.9286 -0.9286 -0.8193 -0.8193 -0.7380 -0.7380 -0.1687 -0.1687 -0.1399 -0.1399 0.3784 0.3784 0.5617 0.5617 0.9842 0.9842 1.2655 1.2655 1.8082 1.8082 2.2356 2.2356 2.2745 2.2745 2.3214 2.3214 2.6295 2.6295 2.7949 2.7949 2.9443 2.9443 3.0672 3.0672 3.1989 3.1989 3.4123 3.4123 3.5146 3.5146 3.6372 3.6372 4.9044 4.9044 5.3282 5.3282 8.1525 8.1525 9.1129 9.1129 9.5234 9.5234 9.7572 9.7572 9.9155 9.9155 k = 0.5833 0.0481 0.3402 ( 10562 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5894 -8.5894 -8.0575 -8.0575 -7.8730 -7.8730 -7.8415 -7.8415 -7.7664 -7.7664 -7.7245 -7.7245 -6.7527 -6.7527 -6.7459 -6.7459 -5.8953 -5.8953 -5.8905 -5.8905 -5.8769 -5.8769 -5.8718 -5.8718 -0.9289 -0.9289 -0.8137 -0.8137 -0.7341 -0.7341 -0.1679 -0.1679 -0.1434 -0.1434 0.3783 0.3783 0.5954 0.5954 0.9809 0.9809 1.2527 1.2527 1.8101 1.8101 2.2279 2.2279 2.2723 2.2723 2.3203 2.3203 2.6309 2.6309 2.7860 2.7860 2.9249 2.9249 3.0588 3.0588 3.1898 3.1898 3.4051 3.4051 3.5163 3.5163 3.6364 3.6364 4.8596 4.8596 5.3379 5.3379 8.1920 8.1920 9.1731 9.1731 9.5628 9.5628 9.7566 9.7566 9.9676 9.9676 k = 0.5903 0.0281 0.3515 ( 10562 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5869 -8.5869 -8.0541 -8.0541 -7.8785 -7.8785 -7.8459 -7.8459 -7.7693 -7.7693 -7.7208 -7.7208 -6.7522 -6.7522 -6.7452 -6.7452 -5.8950 -5.8950 -5.8895 -5.8895 -5.8765 -5.8765 -5.8711 -5.8711 -0.9331 -0.9331 -0.8043 -0.8043 -0.7301 -0.7301 -0.1674 -0.1674 -0.1461 -0.1461 0.3785 0.3785 0.6264 0.6264 0.9789 0.9789 1.2394 1.2394 1.8111 1.8111 2.2203 2.2203 2.2713 2.2713 2.3199 2.3199 2.6318 2.6318 2.7793 2.7793 2.9053 2.9053 3.0505 3.0505 3.1789 3.1789 3.3974 3.3974 3.5168 3.5168 3.6400 3.6400 4.8155 4.8155 5.3491 5.3491 8.2311 8.2311 9.2344 9.2344 9.5932 9.5932 9.7582 9.7582 10.0143 10.0143 k = 0.5972 0.0080 0.3629 ( 10552 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5846 -8.5846 -8.0506 -8.0506 -7.8832 -7.8832 -7.8500 -7.8500 -7.7728 -7.7728 -7.7174 -7.7174 -6.7518 -6.7518 -6.7445 -6.7445 -5.8947 -5.8947 -5.8885 -5.8885 -5.8761 -5.8761 -5.8704 -5.8704 -0.9399 -0.9399 -0.7925 -0.7925 -0.7259 -0.7259 -0.1676 -0.1676 -0.1475 -0.1475 0.3790 0.3790 0.6536 0.6536 0.9789 0.9789 1.2258 1.2258 1.8111 1.8111 2.2130 2.2130 2.2717 2.2717 2.3201 2.3201 2.6322 2.6322 2.7751 2.7751 2.8858 2.8858 3.0427 3.0427 3.1661 3.1661 3.3907 3.3907 3.5152 3.5152 3.6478 3.6478 4.7730 4.7730 5.3616 5.3616 8.2688 8.2688 9.2955 9.2955 9.6100 9.6100 9.7643 9.7643 10.0540 10.0540 k = 0.6042-0.0120 0.3742 ( 10563 PWs) bands (ev): -22.0771 -22.0771 -22.0770 -22.0770 -8.5827 -8.5827 -8.0471 -8.0471 -7.8871 -7.8871 -7.8537 -7.8537 -7.7768 -7.7768 -7.7141 -7.7141 -6.7514 -6.7514 -6.7439 -6.7439 -5.8946 -5.8946 -5.8877 -5.8877 -5.8758 -5.8758 -5.8698 -5.8698 -0.9481 -0.9481 -0.7799 -0.7799 -0.7216 -0.7216 -0.1687 -0.1687 -0.1474 -0.1474 0.3798 0.3798 0.6757 0.6757 0.9816 0.9816 1.2122 1.2122 1.8102 1.8102 2.2064 2.2064 2.2732 2.2732 2.3210 2.3210 2.6321 2.6321 2.7732 2.7732 2.8669 2.8669 3.0354 3.0354 3.1517 3.1517 3.3859 3.3859 3.5118 3.5118 3.6591 3.6591 4.7329 4.7329 5.3750 5.3750 8.3039 8.3039 9.3542 9.3542 9.6125 9.6125 9.7743 9.7743 10.0832 10.0832 k = 0.6111-0.0321 0.3856 ( 10565 PWs) bands (ev): -22.0771 -22.0771 -22.0770 -22.0770 -8.5811 -8.5811 -8.0434 -8.0434 -7.8901 -7.8901 -7.8571 -7.8571 -7.7812 -7.7812 -7.7110 -7.7110 -6.7511 -6.7511 -6.7433 -6.7433 -5.8944 -5.8944 -5.8870 -5.8870 -5.8755 -5.8755 -5.8692 -5.8692 -0.9570 -0.9570 -0.7676 -0.7676 -0.7173 -0.7173 -0.1705 -0.1705 -0.1459 -0.1459 0.3808 0.3808 0.6918 0.6918 0.9871 0.9871 1.1990 1.1990 1.8086 1.8086 2.2010 2.2010 2.2755 2.2755 2.3231 2.3231 2.6316 2.6316 2.7731 2.7731 2.8494 2.8494 3.0288 3.0288 3.1364 3.1364 3.3831 3.3831 3.5073 3.5073 3.6730 3.6730 4.6957 4.6957 5.3893 5.3893 8.3350 8.3350 9.4072 9.4072 9.6056 9.6056 9.7832 9.7832 10.0974 10.0974 k = 0.6181-0.0521 0.3969 ( 10550 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5800 -8.5800 -8.0396 -8.0396 -7.8921 -7.8921 -7.8600 -7.8600 -7.7859 -7.7859 -7.7080 -7.7080 -6.7510 -6.7510 -6.7428 -6.7428 -5.8944 -5.8944 -5.8865 -5.8865 -5.8753 -5.8753 -5.8687 -5.8687 -0.9660 -0.9660 -0.7566 -0.7566 -0.7128 -0.7128 -0.1728 -0.1728 -0.1434 -0.1434 0.3821 0.3821 0.7017 0.7017 0.9947 0.9947 1.1867 1.1867 1.8065 1.8065 2.1969 2.1969 2.2780 2.2780 2.3269 2.3269 2.6303 2.6303 2.7736 2.7736 2.8351 2.8351 3.0232 3.0232 3.1209 3.1209 3.3821 3.3821 3.5027 3.5027 3.6884 3.6884 4.6620 4.6620 5.4044 5.4044 8.3606 8.3606 9.4484 9.4484 9.5976 9.5976 9.7856 9.7856 10.0952 10.0952 k = 0.6250-0.0722 0.4082 ( 10552 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5796 -8.5796 -8.0356 -8.0356 -7.8933 -7.8933 -7.8624 -7.8624 -7.7909 -7.7909 -7.7052 -7.7052 -6.7509 -6.7509 -6.7425 -6.7425 -5.8944 -5.8944 -5.8861 -5.8861 -5.8751 -5.8751 -5.8683 -5.8683 -0.9749 -0.9749 -0.7473 -0.7473 -0.7084 -0.7084 -0.1752 -0.1752 -0.1405 -0.1405 0.3835 0.3835 0.7061 0.7061 1.0029 1.0029 1.1760 1.1760 1.8045 1.8045 2.1942 2.1942 2.2800 2.2800 2.3331 2.3331 2.6280 2.6280 2.7730 2.7730 2.8263 2.8263 3.0186 3.0186 3.1062 3.1062 3.3822 3.3822 3.4989 3.4989 3.7046 3.7046 4.6321 4.6321 5.4201 5.4201 8.3792 8.3792 9.4686 9.4686 9.5982 9.5982 9.7779 9.7779 10.0805 10.0805 k = 0.6250-0.0722 0.4082 ( 10552 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5796 -8.5796 -8.0356 -8.0356 -7.8933 -7.8933 -7.8624 -7.8624 -7.7909 -7.7909 -7.7052 -7.7052 -6.7509 -6.7509 -6.7425 -6.7425 -5.8944 -5.8944 -5.8861 -5.8861 -5.8751 -5.8751 -5.8683 -5.8683 -0.9749 -0.9749 -0.7473 -0.7473 -0.7084 -0.7084 -0.1752 -0.1752 -0.1405 -0.1405 0.3835 0.3835 0.7061 0.7061 1.0029 1.0029 1.1760 1.1760 1.8045 1.8045 2.1942 2.1942 2.2800 2.2800 2.3331 2.3331 2.6280 2.6280 2.7730 2.7730 2.8263 2.8263 3.0186 3.0186 3.1062 3.1062 3.3822 3.3822 3.4989 3.4989 3.7046 3.7046 4.6321 4.6321 5.4201 5.4201 8.3792 8.3792 9.4686 9.4686 9.5982 9.5982 9.7779 9.7779 10.0805 10.0805 k = 0.6125-0.0650 0.4287 ( 10546 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5794 -8.5794 -8.0356 -8.0356 -7.8935 -7.8935 -7.8630 -7.8630 -7.7899 -7.7899 -7.7056 -7.7056 -6.7508 -6.7508 -6.7425 -6.7425 -5.8943 -5.8943 -5.8862 -5.8862 -5.8751 -5.8751 -5.8683 -5.8683 -0.9738 -0.9738 -0.7510 -0.7510 -0.7057 -0.7057 -0.1751 -0.1751 -0.1407 -0.1407 0.3834 0.3834 0.7080 0.7080 1.0021 1.0021 1.1755 1.1755 1.8047 1.8047 2.1936 2.1936 2.2784 2.2784 2.3356 2.3356 2.6274 2.6274 2.7718 2.7718 2.8265 2.8265 3.0184 3.0184 3.1075 3.1075 3.3819 3.3819 3.4983 3.4983 3.7032 3.7032 4.6342 4.6342 5.4177 5.4177 8.3804 8.3804 9.4720 9.4720 9.6017 9.6017 9.7814 9.7814 10.0800 10.0800 k = 0.6000-0.0577 0.4491 ( 10557 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5791 -8.5791 -8.0358 -8.0358 -7.8942 -7.8942 -7.8645 -7.8645 -7.7870 -7.7870 -7.7066 -7.7066 -6.7507 -6.7507 -6.7425 -6.7425 -5.8941 -5.8941 -5.8863 -5.8863 -5.8750 -5.8750 -5.8683 -5.8683 -0.9707 -0.9707 -0.7599 -0.7599 -0.6995 -0.6995 -0.1749 -0.1749 -0.1412 -0.1412 0.3830 0.3830 0.7133 0.7133 0.9997 0.9997 1.1739 1.1739 1.8053 1.8053 2.1920 2.1920 2.2742 2.2742 2.3423 2.3423 2.6259 2.6259 2.7680 2.7680 2.8271 2.8271 3.0183 3.0183 3.1109 3.1109 3.3812 3.3812 3.4969 3.4969 3.6988 3.6988 4.6401 4.6401 5.4108 5.4108 8.3838 8.3838 9.4823 9.4823 9.6120 9.6120 9.7914 9.7914 10.0784 10.0784 k = 0.5875-0.0505 0.4695 ( 10549 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5786 -8.5786 -8.0361 -8.0361 -7.8954 -7.8954 -7.8666 -7.8666 -7.7826 -7.7826 -7.7083 -7.7083 -6.7505 -6.7505 -6.7425 -6.7425 -5.8938 -5.8938 -5.8865 -5.8865 -5.8749 -5.8749 -5.8682 -5.8682 -0.9655 -0.9655 -0.7714 -0.7714 -0.6924 -0.6924 -0.1745 -0.1745 -0.1421 -0.1421 0.3825 0.3825 0.7219 0.7219 0.9960 0.9960 1.1714 1.1714 1.8062 1.8062 2.1895 2.1895 2.2689 2.2689 2.3514 2.3514 2.6237 2.6237 2.7620 2.7620 2.8278 2.8278 3.0192 3.0192 3.1149 3.1149 3.3803 3.3803 3.4951 3.4951 3.6916 3.6916 4.6494 4.6494 5.3999 5.3999 8.3892 8.3892 9.4989 9.4989 9.6290 9.6290 9.8072 9.8072 10.0756 10.0756 k = 0.5750-0.0433 0.4899 ( 10557 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5780 -8.5780 -8.0365 -8.0365 -7.8970 -7.8970 -7.8688 -7.8688 -7.7772 -7.7772 -7.7107 -7.7107 -6.7503 -6.7503 -6.7426 -6.7426 -5.8933 -5.8933 -5.8868 -5.8868 -5.8749 -5.8749 -5.8682 -5.8682 -0.9585 -0.9585 -0.7843 -0.7843 -0.6856 -0.6856 -0.1739 -0.1739 -0.1435 -0.1435 0.3818 0.3818 0.7332 0.7332 0.9911 0.9911 1.1680 1.1680 1.8074 1.8074 2.1865 2.1865 2.2634 2.2634 2.3616 2.3616 2.6213 2.6213 2.7541 2.7541 2.8284 2.8284 3.0220 3.0220 3.1175 3.1175 3.3796 3.3796 3.4939 3.4939 3.6817 3.6817 4.6612 4.6612 5.3859 5.3859 8.3962 8.3962 9.5214 9.5214 9.6521 9.6521 9.8275 9.8275 10.0712 10.0712 k = 0.5625-0.0361 0.5103 ( 10559 PWs) bands (ev): -22.0771 -22.0771 -22.0770 -22.0770 -8.5772 -8.5772 -8.0370 -8.0370 -7.8988 -7.8988 -7.8710 -7.8710 -7.7711 -7.7711 -7.7136 -7.7136 -6.7501 -6.7501 -6.7427 -6.7427 -5.8927 -5.8927 -5.8872 -5.8872 -5.8748 -5.8748 -5.8681 -5.8681 -0.9498 -0.9498 -0.7979 -0.7979 -0.6795 -0.6795 -0.1729 -0.1729 -0.1452 -0.1452 0.3811 0.3811 0.7463 0.7463 0.9855 0.9855 1.1640 1.1640 1.8087 1.8087 2.1832 2.1832 2.2582 2.2582 2.3717 2.3717 2.6195 2.6195 2.7445 2.7445 2.8288 2.8288 3.0271 3.0271 3.1175 3.1175 3.3798 3.3798 3.4942 3.4942 3.6694 3.6694 4.6745 4.6745 5.3700 5.3700 8.4043 8.4043 9.5487 9.5487 9.6804 9.6804 9.8499 9.8499 10.0648 10.0648 k = 0.5500-0.0289 0.5307 ( 10566 PWs) bands (ev): -22.0771 -22.0771 -22.0770 -22.0770 -8.5764 -8.5764 -8.0376 -8.0376 -7.9006 -7.9006 -7.8728 -7.8728 -7.7647 -7.7647 -7.7172 -7.7172 -6.7498 -6.7498 -6.7427 -6.7427 -5.8921 -5.8921 -5.8876 -5.8876 -5.8747 -5.8747 -5.8681 -5.8681 -0.9399 -0.9399 -0.8118 -0.8118 -0.6744 -0.6744 -0.1714 -0.1714 -0.1474 -0.1474 0.3804 0.3804 0.7602 0.7602 0.9797 0.9797 1.1595 1.1595 1.8100 1.8100 2.1801 2.1801 2.2535 2.2535 2.3809 2.3809 2.6189 2.6189 2.7338 2.7338 2.8290 2.8290 3.0343 3.0343 3.1141 3.1141 3.3808 3.3808 3.4965 3.4965 3.6553 3.6553 4.6879 4.6879 5.3537 5.3537 8.4128 8.4128 9.5793 9.5793 9.7129 9.7129 9.8717 9.8717 10.0560 10.0560 k = 0.5375-0.0217 0.5511 ( 10569 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5756 -8.5756 -8.0382 -8.0382 -7.9022 -7.9022 -7.8742 -7.8742 -7.7582 -7.7582 -7.7213 -7.7213 -6.7496 -6.7496 -6.7428 -6.7428 -5.8914 -5.8914 -5.8880 -5.8880 -5.8746 -5.8746 -5.8680 -5.8680 -0.9291 -0.9291 -0.8255 -0.8255 -0.6703 -0.6703 -0.1696 -0.1696 -0.1500 -0.1500 0.3797 0.3797 0.7736 0.7736 0.9743 0.9743 1.1551 1.1551 1.8111 1.8111 2.1773 2.1773 2.2495 2.2495 2.3886 2.3886 2.6199 2.6199 2.7225 2.7225 2.8291 2.8291 3.0435 3.0435 3.1073 3.1073 3.3823 3.3823 3.5013 3.5013 3.6402 3.6402 4.7001 4.7001 5.3387 5.3387 8.4209 8.4209 9.6108 9.6108 9.7477 9.7477 9.8891 9.8891 10.0445 10.0445 k = 0.5250-0.0144 0.5715 ( 10574 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5749 -8.5749 -8.0388 -8.0388 -7.9034 -7.9034 -7.8753 -7.8753 -7.7519 -7.7519 -7.7259 -7.7259 -6.7494 -6.7494 -6.7428 -6.7428 -5.8908 -5.8908 -5.8885 -5.8885 -5.8745 -5.8745 -5.8679 -5.8679 -0.9183 -0.9183 -0.8381 -0.8381 -0.6674 -0.6674 -0.1672 -0.1672 -0.1529 -0.1529 0.3792 0.3792 0.7847 0.7847 0.9702 0.9702 1.1511 1.1511 1.8119 1.8119 2.1752 2.1752 2.2464 2.2464 2.3942 2.3942 2.6225 2.6225 2.7118 2.7118 2.8291 2.8291 3.0539 3.0539 3.0980 3.0980 3.3839 3.3839 3.5080 3.5080 3.6255 3.6255 4.7100 4.7100 5.3263 5.3263 8.4279 8.4279 9.6398 9.6398 9.7817 9.7817 9.8993 9.8993 10.0305 10.0305 k = 0.5125-0.0072 0.5920 ( 10586 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5745 -8.5745 -8.0393 -8.0393 -7.9042 -7.9042 -7.8759 -7.8759 -7.7462 -7.7462 -7.7304 -7.7304 -6.7492 -6.7492 -6.7428 -6.7428 -5.8902 -5.8902 -5.8889 -5.8889 -5.8745 -5.8745 -5.8679 -5.8679 -0.9094 -0.9094 -0.8480 -0.8480 -0.6656 -0.6656 -0.1647 -0.1647 -0.1558 -0.1558 0.3788 0.3788 0.7921 0.7921 0.9678 0.9678 1.1482 1.1482 1.8124 1.8124 2.1738 2.1738 2.2443 2.2443 2.3974 2.3974 2.6258 2.6258 2.7034 2.7034 2.8292 2.8292 3.0649 3.0649 3.0872 3.0872 3.3851 3.3851 3.5145 3.5145 3.6138 3.6138 4.7163 4.7163 5.3183 5.3183 8.4328 8.4328 9.6610 9.6610 9.8094 9.8094 9.9025 9.9025 10.0169 10.0169 k = 0.5000 0.0000 0.6124 ( 10560 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5743 -8.5743 -8.0395 -8.0395 -7.9045 -7.9045 -7.8762 -7.8762 -7.7432 -7.7432 -7.7330 -7.7330 -6.7492 -6.7492 -6.7428 -6.7428 -5.8898 -5.8898 -5.8892 -5.8892 -5.8744 -5.8744 -5.8679 -5.8679 -0.9056 -0.9056 -0.8521 -0.8521 -0.6650 -0.6650 -0.1630 -0.1630 -0.1576 -0.1576 0.3787 0.3787 0.7946 0.7946 0.9672 0.9672 1.1471 1.1471 1.8126 1.8126 2.1734 2.1734 2.2436 2.2436 2.3985 2.3985 2.6275 2.6275 2.7000 2.7000 2.8292 2.8292 3.0745 3.0745 3.0776 3.0776 3.3855 3.3855 3.5175 3.5175 3.6090 3.6090 4.7184 4.7184 5.3154 5.3154 8.4347 8.4347 9.6691 9.6691 9.8209 9.8209 9.9028 9.9028 10.0105 10.0105 k = 0.5000 0.0000 0.6124 ( 10560 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5743 -8.5743 -8.0395 -8.0395 -7.9045 -7.9045 -7.8762 -7.8762 -7.7432 -7.7432 -7.7330 -7.7330 -6.7492 -6.7492 -6.7428 -6.7428 -5.8898 -5.8898 -5.8892 -5.8892 -5.8744 -5.8744 -5.8679 -5.8679 -0.9056 -0.9056 -0.8521 -0.8521 -0.6650 -0.6650 -0.1630 -0.1630 -0.1576 -0.1576 0.3787 0.3787 0.7946 0.7946 0.9672 0.9672 1.1471 1.1471 1.8126 1.8126 2.1734 2.1734 2.2436 2.2436 2.3985 2.3985 2.6275 2.6275 2.7000 2.7000 2.8292 2.8292 3.0745 3.0745 3.0776 3.0776 3.3855 3.3855 3.5175 3.5175 3.6090 3.6090 4.7184 4.7184 5.3154 5.3154 8.4347 8.4347 9.6691 9.6691 9.8209 9.8209 9.9028 9.9028 10.0105 10.0105 k = 0.5000 0.0144 0.5920 ( 10582 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5745 -8.5745 -8.0398 -8.0398 -7.9039 -7.9039 -7.8757 -7.8757 -7.7433 -7.7433 -7.7331 -7.7331 -6.7492 -6.7492 -6.7429 -6.7429 -5.8898 -5.8898 -5.8893 -5.8893 -5.8745 -5.8745 -5.8679 -5.8679 -0.9048 -0.9048 -0.8526 -0.8526 -0.6662 -0.6662 -0.1629 -0.1629 -0.1577 -0.1577 0.3786 0.3786 0.7919 0.7919 0.9659 0.9659 1.1500 1.1500 1.8127 1.8127 2.1740 2.1740 2.2442 2.2442 2.3965 2.3965 2.6243 2.6243 2.7075 2.7075 2.8281 2.8281 3.0696 3.0696 3.0846 3.0846 3.3864 3.3864 3.5172 3.5172 3.6088 3.6088 4.7211 4.7211 5.3153 5.3153 8.4303 8.4303 9.6574 9.6574 9.8029 9.8029 9.9108 9.9108 10.0253 10.0253 k = 0.5000 0.0289 0.5715 ( 10572 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5753 -8.5753 -8.0408 -8.0408 -7.9024 -7.9024 -7.8744 -7.8744 -7.7433 -7.7433 -7.7333 -7.7333 -6.7494 -6.7494 -6.7431 -6.7431 -5.8900 -5.8900 -5.8894 -5.8894 -5.8746 -5.8746 -5.8682 -5.8682 -0.9027 -0.9027 -0.8544 -0.8544 -0.6695 -0.6695 -0.1627 -0.1627 -0.1577 -0.1577 0.3784 0.3784 0.7833 0.7833 0.9630 0.9630 1.1582 1.1582 1.8133 1.8133 2.1760 2.1760 2.2458 2.2458 2.3909 2.3909 2.6180 2.6180 2.7261 2.7261 2.8250 2.8250 3.0655 3.0655 3.0949 3.0949 3.3893 3.3893 3.5162 3.5162 3.6085 3.6085 4.7289 4.7289 5.3148 5.3148 8.4172 8.4172 9.6215 9.6215 9.7749 9.7749 9.9164 9.9164 10.0622 10.0622 k = 0.5000 0.0433 0.5511 ( 10568 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5765 -8.5765 -8.0424 -8.0424 -7.8998 -7.8998 -7.8722 -7.8722 -7.7435 -7.7435 -7.7336 -7.7336 -6.7496 -6.7496 -6.7433 -6.7433 -5.8902 -5.8902 -5.8897 -5.8897 -5.8748 -5.8748 -5.8685 -5.8685 -0.8991 -0.8991 -0.8573 -0.8573 -0.6749 -0.6749 -0.1627 -0.1627 -0.1574 -0.1574 0.3781 0.3781 0.7687 0.7687 0.9603 0.9603 1.1702 1.1702 1.8140 1.8140 2.1794 2.1794 2.2484 2.2484 2.3824 2.3824 2.6129 2.6129 2.7503 2.7503 2.8208 2.8208 3.0636 3.0636 3.1067 3.1067 3.3941 3.3941 3.5145 3.5145 3.6081 3.6081 4.7419 4.7419 5.3141 5.3141 8.3963 8.3963 9.5655 9.5655 9.7522 9.7522 9.9132 9.9132 10.1043 10.1043 k = 0.5000 0.0577 0.5307 ( 10554 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5781 -8.5781 -8.0446 -8.0446 -7.8963 -7.8963 -7.8692 -7.8692 -7.7437 -7.7437 -7.7341 -7.7341 -6.7500 -6.7500 -6.7437 -6.7437 -5.8906 -5.8906 -5.8901 -5.8901 -5.8750 -5.8750 -5.8690 -5.8690 -0.8941 -0.8941 -0.8616 -0.8616 -0.6819 -0.6819 -0.1632 -0.1632 -0.1562 -0.1562 0.3777 0.3777 0.7480 0.7480 0.9591 0.9591 1.1844 1.1844 1.8146 1.8146 2.1841 2.1841 2.2520 2.2520 2.3721 2.3721 2.6105 2.6105 2.7759 2.7759 2.8173 2.8173 3.0635 3.0635 3.1194 3.1194 3.4006 3.4006 3.5118 3.5118 3.6080 3.6080 4.7599 4.7599 5.3130 5.3130 8.3685 8.3685 9.4984 9.4984 9.7312 9.7312 9.9046 9.9046 10.1334 10.1334 k = 0.5000 0.0722 0.5103 ( 10576 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5801 -8.5801 -8.0472 -8.0472 -7.8920 -7.8920 -7.8655 -7.8655 -7.7441 -7.7441 -7.7347 -7.7347 -6.7504 -6.7504 -6.7442 -6.7442 -5.8911 -5.8911 -5.8905 -5.8905 -5.8753 -5.8753 -5.8695 -5.8695 -0.8879 -0.8879 -0.8672 -0.8672 -0.6901 -0.6901 -0.1641 -0.1641 -0.1543 -0.1543 0.3774 0.3774 0.7218 0.7218 0.9600 0.9600 1.1996 1.1996 1.8150 1.8150 2.1901 2.1901 2.2565 2.2565 2.3612 2.3612 2.6107 2.6107 2.7951 2.7951 2.8216 2.8216 3.0650 3.0650 3.1327 3.1327 3.4086 3.4086 3.5081 3.5081 3.6087 3.6087 4.7826 4.7826 5.3117 5.3117 8.3352 8.3352 9.4268 9.4268 9.7068 9.7068 9.8925 9.8925 10.1105 10.1105 k = 0.5000 0.0866 0.4899 ( 10570 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5824 -8.5824 -8.0500 -8.0500 -7.8870 -7.8870 -7.8611 -7.8611 -7.7446 -7.7446 -7.7354 -7.7354 -6.7509 -6.7509 -6.7447 -6.7447 -5.8917 -5.8917 -5.8910 -5.8910 -5.8756 -5.8756 -5.8702 -5.8702 -0.8810 -0.8810 -0.8738 -0.8738 -0.6990 -0.6990 -0.1653 -0.1653 -0.1518 -0.1518 0.3772 0.3772 0.6911 0.6911 0.9630 0.9630 1.2152 1.2152 1.8149 1.8149 2.1973 2.1973 2.2616 2.2616 2.3505 2.3505 2.6128 2.6128 2.7983 2.7983 2.8429 2.8429 3.0678 3.0678 3.1460 3.1460 3.4179 3.4179 3.5033 3.5033 3.6105 3.6105 4.8098 4.8098 5.3101 5.3101 8.2977 8.2977 9.3540 9.3540 9.6764 9.6764 9.8782 9.8782 10.0809 10.0809 k = 0.5000 0.1010 0.4695 ( 10564 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5850 -8.5850 -8.0531 -8.0531 -7.8814 -7.8814 -7.8562 -7.8562 -7.7454 -7.7454 -7.7364 -7.7364 -6.7515 -6.7515 -6.7453 -6.7453 -5.8924 -5.8924 -5.8915 -5.8915 -5.8760 -5.8760 -5.8708 -5.8708 -0.8840 -0.8840 -0.8710 -0.8710 -0.7081 -0.7081 -0.1666 -0.1666 -0.1488 -0.1488 0.3771 0.3771 0.6569 0.6569 0.9675 0.9675 1.2305 1.2305 1.8141 1.8141 2.2053 2.2053 2.2673 2.2673 2.3409 2.3409 2.6159 2.6159 2.7976 2.7976 2.8694 2.8694 3.0715 3.0715 3.1590 3.1590 3.4278 3.4278 3.4976 3.4976 3.6138 3.6138 4.8409 4.8409 5.3084 5.3084 8.2573 8.2573 9.2821 9.2821 9.6396 9.6396 9.8624 9.8624 10.0510 10.0510 k = 0.5000 0.1155 0.4491 ( 10570 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5878 -8.5878 -8.0563 -8.0563 -7.8752 -7.8752 -7.8508 -7.8508 -7.7464 -7.7464 -7.7375 -7.7375 -6.7521 -6.7521 -6.7459 -6.7459 -5.8933 -5.8933 -5.8920 -5.8920 -5.8765 -5.8765 -5.8715 -5.8715 -0.8940 -0.8940 -0.8618 -0.8618 -0.7169 -0.7169 -0.1677 -0.1677 -0.1454 -0.1454 0.3772 0.3772 0.6204 0.6204 0.9729 0.9729 1.2452 1.2452 1.8126 1.8126 2.2140 2.2140 2.2734 2.2734 2.3331 2.3331 2.6191 2.6191 2.7984 2.7984 2.8958 2.8958 3.0759 3.0759 3.1714 3.1714 3.4372 3.4372 3.4919 3.4919 3.6188 3.6188 4.8755 4.8755 5.3066 5.3066 8.2153 8.2153 9.2120 9.2120 9.5971 9.5971 9.8457 9.8457 10.0201 10.0201 k = 0.5000 0.1299 0.4287 ( 10552 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5907 -8.5907 -8.0596 -8.0596 -7.8686 -7.8686 -7.8450 -7.8450 -7.7476 -7.7476 -7.7388 -7.7388 -6.7528 -6.7528 -6.7465 -6.7465 -5.8942 -5.8942 -5.8926 -5.8926 -5.8769 -5.8769 -5.8722 -5.8722 -0.9057 -0.9057 -0.8515 -0.8515 -0.7251 -0.7251 -0.1687 -0.1687 -0.1415 -0.1415 0.3775 0.3775 0.5824 0.5824 0.9786 0.9786 1.2593 1.2593 1.8103 1.8103 2.2231 2.2231 2.2792 2.2792 2.3274 2.3274 2.6216 2.6216 2.8020 2.8020 2.9212 2.9212 3.0806 3.0806 3.1830 3.1830 3.4431 3.4431 3.4889 3.4889 3.6254 3.6254 4.9127 4.9127 5.3048 5.3048 8.1728 8.1728 9.1447 9.1447 9.5504 9.5504 9.8285 9.8285 9.9801 9.9801 k = 0.5000 0.1443 0.4082 ( 10552 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5936 -8.5936 -8.0627 -8.0627 -7.8617 -7.8617 -7.8389 -7.8389 -7.7493 -7.7493 -7.7403 -7.7403 -6.7536 -6.7536 -6.7471 -6.7471 -5.8952 -5.8952 -5.8931 -5.8931 -5.8774 -5.8774 -5.8728 -5.8728 -0.9185 -0.9185 -0.8406 -0.8406 -0.7324 -0.7324 -0.1695 -0.1695 -0.1374 -0.1374 0.3780 0.3780 0.5438 0.5438 0.9844 0.9844 1.2726 1.2726 1.8073 1.8073 2.2322 2.2322 2.2840 2.2840 2.3246 2.3246 2.6228 2.6228 2.8086 2.8086 2.9453 2.9453 3.0856 3.0856 3.1935 3.1935 3.4415 3.4415 3.4927 3.4927 3.6336 3.6336 4.9516 4.9516 5.3033 5.3033 8.1308 8.1308 9.0809 9.0809 9.5015 9.5015 9.8112 9.8112 9.9150 9.9150 k = 0.5000 0.1588 0.3878 ( 10552 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5965 -8.5965 -8.0658 -8.0658 -7.8546 -7.8546 -7.8326 -7.8326 -7.7513 -7.7513 -7.7421 -7.7421 -6.7543 -6.7543 -6.7477 -6.7477 -5.8962 -5.8962 -5.8937 -5.8937 -5.8779 -5.8779 -5.8734 -5.8734 -0.9320 -0.9320 -0.8294 -0.8294 -0.7386 -0.7386 -0.1700 -0.1700 -0.1330 -0.1330 0.3787 0.3787 0.5055 0.5055 0.9898 0.9898 1.2850 1.2850 1.8038 1.8038 2.2412 2.2412 2.2871 2.2871 2.3249 2.3249 2.6228 2.6228 2.8176 2.8176 2.9683 2.9683 3.0906 3.0906 3.2027 3.2027 3.4325 3.4325 3.5031 3.5031 3.6428 3.6428 4.9910 4.9910 5.3024 5.3024 8.0902 8.0902 9.0210 9.0210 9.4520 9.4520 9.7931 9.7931 9.8417 9.8417 k = 0.5000 0.1732 0.3674 ( 10548 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5993 -8.5993 -8.0686 -8.0686 -7.8473 -7.8473 -7.8261 -7.8261 -7.7536 -7.7536 -7.7441 -7.7441 -6.7551 -6.7551 -6.7482 -6.7482 -5.8973 -5.8973 -5.8942 -5.8942 -5.8784 -5.8784 -5.8739 -5.8739 -0.9457 -0.9457 -0.8181 -0.8181 -0.7439 -0.7439 -0.1703 -0.1703 -0.1283 -0.1283 0.3795 0.3795 0.4680 0.4680 0.9947 0.9947 1.2965 1.2965 1.8000 1.8000 2.2498 2.2498 2.2884 2.2884 2.3281 2.3281 2.6217 2.6217 2.8284 2.8284 2.9903 2.9903 3.0958 3.0958 3.2105 3.2105 3.4191 3.4191 3.5167 3.5167 3.6528 3.6528 5.0296 5.0296 5.3025 5.3025 8.0518 8.0518 8.9657 8.9657 9.4035 9.4035 9.7575 9.7575 9.7859 9.7859 k = 0.5000 0.1876 0.3470 ( 10552 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6019 -8.6019 -8.0713 -8.0713 -7.8400 -7.8400 -7.8196 -7.8196 -7.7564 -7.7564 -7.7464 -7.7464 -6.7559 -6.7559 -6.7487 -6.7487 -5.8983 -5.8983 -5.8947 -5.8947 -5.8789 -5.8789 -5.8744 -5.8744 -0.9591 -0.9591 -0.8071 -0.8071 -0.7483 -0.7483 -0.1703 -0.1703 -0.1235 -0.1235 0.3803 0.3803 0.4324 0.4324 0.9989 0.9989 1.3069 1.3069 1.7961 1.7961 2.2580 2.2580 2.2885 2.2885 2.3331 2.3331 2.6198 2.6198 2.8399 2.8399 3.0115 3.0115 3.1010 3.1010 3.2172 3.2172 3.4034 3.4034 3.5315 3.5315 3.6629 3.6629 5.0657 5.0657 5.3042 5.3042 8.0163 8.0163 8.9153 8.9153 9.3576 9.3576 9.6886 9.6886 9.7670 9.7670 k = 0.5000 0.2021 0.3266 ( 10548 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6043 -8.6043 -8.0736 -8.0736 -7.8327 -7.8327 -7.8131 -7.8131 -7.7596 -7.7596 -7.7490 -7.7490 -6.7566 -6.7566 -6.7491 -6.7491 -5.8993 -5.8993 -5.8951 -5.8951 -5.8794 -5.8794 -5.8747 -5.8747 -0.9717 -0.9717 -0.7967 -0.7967 -0.7518 -0.7518 -0.1701 -0.1701 -0.1187 -0.1187 0.3805 0.3805 0.3997 0.3997 1.0026 1.0026 1.3162 1.3162 1.7922 1.7922 2.2655 2.2655 2.2881 2.2881 2.3386 2.3386 2.6174 2.6174 2.8513 2.8513 3.0316 3.0316 3.1064 3.1064 3.2228 3.2228 3.3860 3.3860 3.5463 3.5463 3.6729 3.6729 5.0977 5.0977 5.3081 5.3081 7.9843 7.9843 8.8704 8.8704 9.3154 9.3154 9.6211 9.6211 9.7527 9.7527 k = 0.5000 0.2165 0.3062 ( 10538 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6064 -8.6064 -8.0757 -8.0757 -7.8255 -7.8255 -7.8068 -7.8068 -7.7632 -7.7632 -7.7519 -7.7519 -6.7572 -6.7572 -6.7495 -6.7495 -5.9002 -5.9002 -5.8955 -5.8955 -5.8799 -5.8799 -5.8750 -5.8750 -0.9832 -0.9832 -0.7872 -0.7872 -0.7544 -0.7544 -0.1697 -0.1697 -0.1140 -0.1140 0.3670 0.3670 0.3839 0.3839 1.0055 1.0055 1.3243 1.3243 1.7886 1.7886 2.2722 2.2722 2.2877 2.2877 2.3440 2.3440 2.6150 2.6150 2.8617 2.8617 3.0503 3.0503 3.1121 3.1121 3.2280 3.2280 3.3677 3.3677 3.5603 3.5603 3.6822 3.6822 5.1240 5.1240 5.3146 5.3146 7.9563 7.9563 8.8313 8.8313 9.2779 9.2779 9.5600 9.5600 9.7401 9.7401 k = 0.5000 0.2309 0.2858 ( 10538 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6083 -8.6083 -8.0774 -8.0774 -7.8186 -7.8186 -7.8007 -7.8007 -7.7671 -7.7671 -7.7551 -7.7551 -6.7578 -6.7578 -6.7498 -6.7498 -5.9009 -5.9009 -5.8958 -5.8958 -5.8803 -5.8803 -5.8753 -5.8753 -0.9931 -0.9931 -0.7792 -0.7792 -0.7562 -0.7562 -0.1693 -0.1693 -0.1096 -0.1096 0.3415 0.3415 0.3840 0.3840 1.0079 1.0079 1.3311 1.3311 1.7855 1.7855 2.2780 2.2780 2.2875 2.2875 2.3487 2.3487 2.6126 2.6126 2.8706 2.8706 3.0669 3.0669 3.1182 3.1182 3.2333 3.2333 3.3487 3.3487 3.5727 3.5727 3.6904 3.6904 5.1438 5.1438 5.3234 5.3234 7.9328 7.9328 8.7985 8.7985 9.2460 9.2460 9.5073 9.5073 9.7290 9.7290 k = 0.5000 0.2454 0.2654 ( 10536 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6097 -8.6097 -8.0787 -8.0787 -7.8120 -7.8120 -7.7949 -7.7949 -7.7713 -7.7713 -7.7585 -7.7585 -6.7582 -6.7582 -6.7500 -6.7500 -5.9015 -5.9015 -5.8961 -5.8961 -5.8806 -5.8806 -5.8755 -5.8755 -1.0011 -1.0011 -0.7730 -0.7730 -0.7571 -0.7571 -0.1688 -0.1688 -0.1056 -0.1056 0.3201 0.3201 0.3846 0.3846 1.0096 1.0096 1.3364 1.3364 1.7829 1.7829 2.2824 2.2824 2.2875 2.2875 2.3525 2.3525 2.6106 2.6106 2.8777 2.8777 3.0804 3.0804 3.1244 3.1244 3.2395 3.2395 3.3295 3.3295 3.5830 3.5830 3.6972 3.6972 5.1575 5.1575 5.3332 5.3332 7.9141 7.9141 8.7725 8.7725 9.2204 9.2204 9.4645 9.4645 9.7191 9.7191 k = 0.5000 0.2598 0.2449 ( 10546 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6108 -8.6108 -8.0797 -8.0797 -7.8061 -7.8061 -7.7898 -7.7898 -7.7755 -7.7755 -7.7619 -7.7619 -6.7585 -6.7585 -6.7502 -6.7502 -5.9020 -5.9020 -5.8963 -5.8963 -5.8808 -5.8808 -5.8756 -5.8756 -1.0069 -1.0069 -0.7692 -0.7692 -0.7569 -0.7569 -0.1684 -0.1684 -0.1025 -0.1025 0.3041 0.3041 0.3851 0.3851 1.0108 1.0108 1.3403 1.3403 1.7809 1.7809 2.2849 2.2849 2.2884 2.2884 2.3553 2.3553 2.6091 2.6091 2.8828 2.8828 3.0900 3.0900 3.1304 3.1304 3.2475 3.2475 3.3109 3.3109 3.5908 3.5908 3.7024 3.7024 5.1659 5.1659 5.3422 5.3422 7.9006 7.9006 8.7536 8.7536 9.2017 9.2017 9.4330 9.4330 9.7104 9.7104 k = 0.5000 0.2742 0.2245 ( 10554 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6114 -8.6114 -8.0803 -8.0803 -7.8014 -7.8014 -7.7859 -7.7859 -7.7791 -7.7791 -7.7648 -7.7648 -6.7587 -6.7587 -6.7503 -6.7503 -5.9023 -5.9023 -5.8964 -5.8964 -5.8810 -5.8810 -5.8757 -5.8757 -1.0105 -1.0105 -0.7674 -0.7674 -0.7561 -0.7561 -0.1681 -0.1681 -0.1005 -0.1005 0.2941 0.2941 0.3854 0.3854 1.0115 1.0115 1.3427 1.3427 1.7797 1.7797 2.2857 2.2857 2.2897 2.2897 2.3570 2.3570 2.6081 2.6081 2.8858 2.8858 3.0956 3.0956 3.1347 3.1347 3.2574 3.2574 3.2941 3.2941 3.5955 3.5955 3.7055 3.7055 5.1704 5.1704 5.3485 5.3485 7.8923 7.8923 8.7421 8.7421 9.1904 9.1904 9.4138 9.4138 9.7038 9.7038 k = 0.5000 0.2887 0.2041 ( 10542 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6116 -8.6116 -8.0805 -8.0805 -7.7994 -7.7994 -7.7843 -7.7843 -7.7807 -7.7807 -7.7660 -7.7660 -6.7588 -6.7588 -6.7503 -6.7503 -5.9024 -5.9024 -5.8964 -5.8964 -5.8810 -5.8810 -5.8757 -5.8757 -1.0117 -1.0117 -0.7670 -0.7670 -0.7556 -0.7556 -0.1681 -0.1681 -0.0998 -0.0998 0.2908 0.2908 0.3855 0.3855 1.0118 1.0118 1.3435 1.3435 1.7793 1.7793 2.2858 2.2858 2.2903 2.2903 2.3576 2.3576 2.6078 2.6078 2.8869 2.8869 3.0974 3.0974 3.1364 3.1364 3.2644 3.2644 3.2847 3.2847 3.5971 3.5971 3.7066 3.7066 5.1718 5.1718 5.3507 5.3507 7.8896 7.8896 8.7383 8.7383 9.1866 9.1866 9.4073 9.4073 9.7013 9.7013 k = 0.5000 0.2887 0.2041 ( 10542 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6116 -8.6116 -8.0805 -8.0805 -7.7994 -7.7994 -7.7843 -7.7843 -7.7807 -7.7807 -7.7660 -7.7660 -6.7588 -6.7588 -6.7503 -6.7503 -5.9024 -5.9024 -5.8964 -5.8964 -5.8810 -5.8810 -5.8757 -5.8757 -1.0117 -1.0117 -0.7670 -0.7670 -0.7556 -0.7556 -0.1681 -0.1681 -0.0998 -0.0998 0.2908 0.2908 0.3855 0.3855 1.0118 1.0118 1.3435 1.3435 1.7793 1.7793 2.2858 2.2858 2.2903 2.2903 2.3576 2.3576 2.6078 2.6078 2.8869 2.8869 3.0974 3.0974 3.1364 3.1364 3.2644 3.2644 3.2847 3.2847 3.5971 3.5971 3.7066 3.7066 5.1718 5.1718 5.3507 5.3507 7.8896 7.8896 8.7383 8.7383 9.1866 9.1866 9.4073 9.4073 9.7013 9.7013 k = 0.4931 0.2847 0.2268 ( 10557 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6114 -8.6114 -8.0803 -8.0803 -7.8013 -7.8013 -7.7858 -7.7858 -7.7792 -7.7792 -7.7649 -7.7649 -6.7587 -6.7587 -6.7503 -6.7503 -5.9023 -5.9023 -5.8964 -5.8964 -5.8810 -5.8810 -5.8757 -5.8757 -1.0106 -1.0106 -0.7674 -0.7674 -0.7560 -0.7560 -0.1681 -0.1681 -0.1005 -0.1005 0.2939 0.2939 0.3854 0.3854 1.0115 1.0115 1.3428 1.3428 1.7797 1.7797 2.2857 2.2857 2.2898 2.2898 2.3571 2.3571 2.6081 2.6081 2.8859 2.8859 3.0957 3.0957 3.1349 3.1349 3.2577 3.2577 3.2935 3.2935 3.5956 3.5956 3.7056 3.7056 5.1705 5.1705 5.3486 5.3486 7.8921 7.8921 8.7418 8.7418 9.1901 9.1901 9.4133 9.4133 9.7036 9.7036 k = 0.4861 0.2807 0.2495 ( 10546 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6108 -8.6108 -8.0798 -8.0798 -7.8057 -7.8057 -7.7895 -7.7895 -7.7758 -7.7758 -7.7622 -7.7622 -6.7586 -6.7586 -6.7502 -6.7502 -5.9020 -5.9020 -5.8963 -5.8963 -5.8808 -5.8808 -5.8756 -5.8756 -1.0073 -1.0073 -0.7690 -0.7690 -0.7568 -0.7568 -0.1684 -0.1684 -0.1023 -0.1023 0.3031 0.3031 0.3851 0.3851 1.0109 1.0109 1.3406 1.3406 1.7808 1.7808 2.2850 2.2850 2.2885 2.2885 2.3555 2.3555 2.6090 2.6090 2.8831 2.8831 3.0906 3.0906 3.1308 3.1308 3.2482 3.2482 3.3095 3.3095 3.5912 3.5912 3.7027 3.7027 5.1664 5.1664 5.3428 5.3428 7.8998 7.8998 8.7525 8.7525 9.2006 9.2006 9.4311 9.4311 9.7097 9.7097 k = 0.4792 0.2766 0.2722 ( 10540 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6098 -8.6098 -8.0789 -8.0789 -7.8113 -7.8113 -7.7942 -7.7942 -7.7719 -7.7719 -7.7588 -7.7588 -6.7583 -6.7583 -6.7500 -6.7500 -5.9016 -5.9016 -5.8961 -5.8961 -5.8806 -5.8806 -5.8755 -5.8755 -1.0018 -1.0018 -0.7724 -0.7724 -0.7571 -0.7571 -0.1688 -0.1688 -0.1052 -0.1052 0.3180 0.3180 0.3846 0.3846 1.0098 1.0098 1.3369 1.3369 1.7826 1.7826 2.2829 2.2829 2.2874 2.2874 2.3529 2.3529 2.6104 2.6104 2.8784 2.8784 3.0817 3.0817 3.1251 3.1251 3.2404 3.2404 3.3273 3.3273 3.5841 3.5841 3.6979 3.6979 5.1586 5.1586 5.3343 5.3343 7.9123 7.9123 8.7700 8.7700 9.2179 9.2179 9.4603 9.4603 9.7177 9.7177 k = 0.4722 0.2726 0.2948 ( 10545 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6085 -8.6085 -8.0776 -8.0776 -7.8177 -7.8177 -7.7995 -7.7995 -7.7682 -7.7682 -7.7553 -7.7553 -6.7578 -6.7578 -6.7498 -6.7498 -5.9010 -5.9010 -5.8959 -5.8959 -5.8803 -5.8803 -5.8753 -5.8753 -0.9944 -0.9944 -0.7779 -0.7779 -0.7566 -0.7566 -0.1692 -0.1692 -0.1089 -0.1089 0.3380 0.3380 0.3841 0.3841 1.0082 1.0082 1.3320 1.3320 1.7850 1.7850 2.2792 2.2792 2.2870 2.2870 2.3494 2.3494 2.6123 2.6123 2.8718 2.8718 3.0694 3.0694 3.1187 3.1187 3.2344 3.2344 3.3456 3.3456 3.5745 3.5745 3.6916 3.6916 5.1461 5.1461 5.3250 5.3250 7.9297 7.9297 8.7942 8.7942 9.2417 9.2417 9.5000 9.5000 9.7261 9.7261 k = 0.4653 0.2686 0.3175 ( 10548 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6068 -8.6068 -8.0760 -8.0760 -7.8244 -7.8244 -7.8050 -7.8050 -7.7651 -7.7651 -7.7517 -7.7517 -6.7573 -6.7573 -6.7495 -6.7495 -5.9003 -5.9003 -5.8956 -5.8956 -5.8800 -5.8800 -5.8751 -5.8751 -0.9853 -0.9853 -0.7851 -0.7851 -0.7552 -0.7552 -0.1696 -0.1696 -0.1132 -0.1132 0.3620 0.3620 0.3837 0.3837 1.0060 1.0060 1.3257 1.3257 1.7880 1.7880 2.2743 2.2743 2.2866 2.2866 2.3450 2.3450 2.6146 2.6146 2.8634 2.8634 3.0543 3.0543 3.1122 3.1122 3.2297 3.2297 3.3636 3.3636 3.5630 3.5630 3.6839 3.6839 5.1274 5.1274 5.3169 5.3169 7.9515 7.9515 8.8246 8.8246 9.2713 9.2713 9.5490 9.5490 9.7343 9.7343 k = 0.4583 0.2646 0.3402 ( 10549 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6048 -8.6048 -8.0741 -8.0741 -7.8315 -7.8315 -7.8106 -7.8106 -7.7628 -7.7628 -7.7480 -7.7480 -6.7567 -6.7567 -6.7492 -6.7492 -5.8995 -5.8995 -5.8952 -5.8952 -5.8795 -5.8795 -5.8748 -5.8748 -0.9747 -0.9747 -0.7933 -0.7933 -0.7533 -0.7533 -0.1700 -0.1700 -0.1177 -0.1177 0.3802 0.3802 0.3929 0.3929 1.0034 1.0034 1.3181 1.3181 1.7914 1.7914 2.2688 2.2688 2.2859 2.2859 2.3401 2.3401 2.6171 2.6171 2.8534 2.8534 3.0375 3.0375 3.1055 3.1055 3.2256 3.2256 3.3806 3.3806 3.5503 3.5503 3.6753 3.6753 5.1022 5.1022 5.3113 5.3113 7.9775 7.9775 8.8609 8.8609 9.3063 9.3063 9.6054 9.6054 9.7420 9.7420 k = 0.4514 0.2606 0.3629 ( 10558 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6026 -8.6026 -8.0719 -8.0719 -7.8387 -7.8387 -7.8161 -7.8161 -7.7614 -7.7614 -7.7441 -7.7441 -6.7561 -6.7561 -6.7488 -6.7488 -5.8986 -5.8986 -5.8947 -5.8947 -5.8791 -5.8791 -5.8745 -5.8745 -0.9633 -0.9633 -0.8018 -0.8018 -0.7509 -0.7509 -0.1702 -0.1702 -0.1223 -0.1223 0.3806 0.3806 0.4230 0.4230 1.0002 1.0002 1.3095 1.3095 1.7950 1.7950 2.2628 2.2628 2.2848 2.2848 2.3351 2.3351 2.6198 2.6198 2.8421 2.8421 3.0195 3.0195 3.0985 3.0985 3.2216 3.2216 3.3958 3.3958 3.5375 3.5375 3.6662 3.6662 5.0705 5.0705 5.3091 5.3091 8.0072 8.0072 8.9025 8.9025 9.3457 9.3457 9.6672 9.6672 9.7486 9.7486 k = 0.4444 0.2566 0.3856 ( 10572 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.6001 -8.6001 -8.0694 -8.0694 -7.8460 -7.8460 -7.8216 -7.8216 -7.7608 -7.7608 -7.7401 -7.7401 -6.7554 -6.7554 -6.7483 -6.7483 -5.8978 -5.8978 -5.8941 -5.8941 -5.8786 -5.8786 -5.8740 -5.8740 -0.9518 -0.9518 -0.8099 -0.8099 -0.7481 -0.7481 -0.1702 -0.1702 -0.1270 -0.1270 0.3800 0.3800 0.4563 0.4563 0.9965 0.9965 1.2998 1.2998 1.7987 1.7987 2.2565 2.2565 2.2830 2.2830 2.3303 2.3303 2.6226 2.6226 2.8299 2.8299 3.0011 3.0011 3.0912 3.0912 3.2173 3.2173 3.4079 3.4079 3.5260 3.5260 3.6571 3.6571 5.0335 5.0335 5.3101 5.3101 8.0402 8.0402 8.9492 8.9492 9.3886 9.3886 9.7313 9.7313 9.7543 9.7543 k = 0.4375 0.2526 0.4082 ( 10565 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5975 -8.5975 -8.0667 -8.0667 -7.8532 -7.8532 -7.8269 -7.8269 -7.7611 -7.7611 -7.7361 -7.7361 -6.7547 -6.7547 -6.7478 -6.7478 -5.8970 -5.8970 -5.8934 -5.8934 -5.8782 -5.8782 -5.8736 -5.8736 -0.9412 -0.9412 -0.8164 -0.8164 -0.7450 -0.7450 -0.1699 -0.1699 -0.1316 -0.1316 0.3793 0.3793 0.4911 0.4911 0.9924 0.9924 1.2892 1.2892 1.8023 1.8023 2.2499 2.2499 2.2805 2.2805 2.3263 2.3263 2.6252 2.6252 2.8175 2.8175 2.9824 2.9824 3.0835 3.0835 3.2123 3.2123 3.4152 3.4152 3.5178 3.5178 3.6486 3.6486 4.9926 4.9926 5.3139 5.3139 8.0758 8.0758 9.0002 9.0002 9.4336 9.4336 9.7560 9.7560 9.7971 9.7971 k = 0.4306 0.2486 0.4309 ( 10561 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5948 -8.5948 -8.0638 -8.0638 -7.8602 -7.8602 -7.8320 -7.8320 -7.7622 -7.7622 -7.7321 -7.7321 -6.7540 -6.7540 -6.7472 -6.7472 -5.8963 -5.8963 -5.8925 -5.8925 -5.8777 -5.8777 -5.8730 -5.8730 -0.9330 -0.9330 -0.8200 -0.8200 -0.7416 -0.7416 -0.1694 -0.1694 -0.1359 -0.1359 0.3787 0.3787 0.5266 0.5266 0.9882 0.9882 1.2777 1.2777 1.8055 1.8055 2.2429 2.2429 2.2775 2.2775 2.3233 2.3233 2.6275 2.6275 2.8056 2.8056 2.9634 2.9634 3.0755 3.0755 3.2063 3.2063 3.4165 3.4165 3.5142 3.5142 3.6417 3.6417 4.9492 4.9492 5.3200 5.3200 8.1135 8.1135 9.0550 9.0550 9.4793 9.4793 9.7574 9.7574 9.8584 9.8584 k = 0.4236 0.2446 0.4536 ( 10552 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5921 -8.5921 -8.0607 -8.0607 -7.8668 -7.8668 -7.8369 -7.8369 -7.7640 -7.7640 -7.7282 -7.7282 -6.7533 -6.7533 -6.7466 -6.7466 -5.8958 -5.8958 -5.8916 -5.8916 -5.8773 -5.8773 -5.8724 -5.8724 -0.9286 -0.9286 -0.8193 -0.8193 -0.7380 -0.7380 -0.1687 -0.1687 -0.1399 -0.1399 0.3784 0.3784 0.5617 0.5617 0.9842 0.9842 1.2655 1.2655 1.8082 1.8082 2.2356 2.2356 2.2745 2.2745 2.3214 2.3214 2.6295 2.6295 2.7949 2.7949 2.9443 2.9443 3.0672 3.0672 3.1989 3.1989 3.4123 3.4123 3.5146 3.5146 3.6372 3.6372 4.9044 4.9044 5.3282 5.3282 8.1525 8.1525 9.1129 9.1129 9.5234 9.5234 9.7572 9.7572 9.9155 9.9155 k = 0.4167 0.2406 0.4763 ( 10562 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5894 -8.5894 -8.0575 -8.0575 -7.8730 -7.8730 -7.8415 -7.8415 -7.7664 -7.7664 -7.7245 -7.7245 -6.7527 -6.7527 -6.7459 -6.7459 -5.8953 -5.8953 -5.8905 -5.8905 -5.8769 -5.8769 -5.8718 -5.8718 -0.9289 -0.9289 -0.8137 -0.8137 -0.7341 -0.7341 -0.1679 -0.1679 -0.1434 -0.1434 0.3783 0.3783 0.5954 0.5954 0.9809 0.9809 1.2527 1.2527 1.8101 1.8101 2.2279 2.2279 2.2723 2.2723 2.3203 2.3203 2.6309 2.6309 2.7860 2.7860 2.9249 2.9249 3.0588 3.0588 3.1898 3.1898 3.4051 3.4051 3.5163 3.5163 3.6364 3.6364 4.8596 4.8596 5.3379 5.3379 8.1920 8.1920 9.1731 9.1731 9.5628 9.5628 9.7566 9.7566 9.9676 9.9676 k = 0.4097 0.2366 0.4990 ( 10562 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5869 -8.5869 -8.0541 -8.0541 -7.8785 -7.8785 -7.8459 -7.8459 -7.7693 -7.7693 -7.7208 -7.7208 -6.7522 -6.7522 -6.7452 -6.7452 -5.8950 -5.8950 -5.8895 -5.8895 -5.8765 -5.8765 -5.8711 -5.8711 -0.9331 -0.9331 -0.8043 -0.8043 -0.7301 -0.7301 -0.1674 -0.1674 -0.1461 -0.1461 0.3785 0.3785 0.6264 0.6264 0.9789 0.9789 1.2394 1.2394 1.8111 1.8111 2.2203 2.2203 2.2713 2.2713 2.3199 2.3199 2.6318 2.6318 2.7793 2.7793 2.9053 2.9053 3.0505 3.0505 3.1789 3.1789 3.3974 3.3974 3.5168 3.5168 3.6400 3.6400 4.8155 4.8155 5.3491 5.3491 8.2311 8.2311 9.2344 9.2344 9.5932 9.5932 9.7582 9.7582 10.0143 10.0143 k = 0.4028 0.2325 0.5217 ( 10552 PWs) bands (ev): -22.0770 -22.0770 -22.0770 -22.0770 -8.5846 -8.5846 -8.0506 -8.0506 -7.8832 -7.8832 -7.8500 -7.8500 -7.7728 -7.7728 -7.7174 -7.7174 -6.7518 -6.7518 -6.7445 -6.7445 -5.8947 -5.8947 -5.8885 -5.8885 -5.8761 -5.8761 -5.8704 -5.8704 -0.9399 -0.9399 -0.7925 -0.7925 -0.7259 -0.7259 -0.1676 -0.1676 -0.1475 -0.1475 0.3790 0.3790 0.6536 0.6536 0.9789 0.9789 1.2258 1.2258 1.8111 1.8111 2.2130 2.2130 2.2717 2.2717 2.3201 2.3201 2.6322 2.6322 2.7751 2.7751 2.8858 2.8858 3.0427 3.0427 3.1661 3.1661 3.3907 3.3907 3.5152 3.5152 3.6478 3.6478 4.7730 4.7730 5.3616 5.3616 8.2688 8.2688 9.2955 9.2955 9.6100 9.6100 9.7643 9.7643 10.0540 10.0540 k = 0.3958 0.2285 0.5443 ( 10563 PWs) bands (ev): -22.0771 -22.0771 -22.0770 -22.0770 -8.5827 -8.5827 -8.0471 -8.0471 -7.8871 -7.8871 -7.8537 -7.8537 -7.7768 -7.7768 -7.7141 -7.7141 -6.7514 -6.7514 -6.7439 -6.7439 -5.8946 -5.8946 -5.8877 -5.8877 -5.8758 -5.8758 -5.8698 -5.8698 -0.9481 -0.9481 -0.7799 -0.7799 -0.7216 -0.7216 -0.1687 -0.1687 -0.1474 -0.1474 0.3798 0.3798 0.6757 0.6757 0.9816 0.9816 1.2122 1.2122 1.8102 1.8102 2.2064 2.2064 2.2732 2.2732 2.3210 2.3210 2.6321 2.6321 2.7732 2.7732 2.8669 2.8669 3.0354 3.0354 3.1517 3.1517 3.3859 3.3859 3.5118 3.5118 3.6591 3.6591 4.7329 4.7329 5.3750 5.3750 8.3039 8.3039 9.3542 9.3542 9.6125 9.6125 9.7743 9.7743 10.0832 10.0832 k = 0.3889 0.2245 0.5670 ( 10565 PWs) bands (ev): -22.0771 -22.0771 -22.0770 -22.0770 -8.5811 -8.5811 -8.0434 -8.0434 -7.8901 -7.8901 -7.8571 -7.8571 -7.7812 -7.7812 -7.7110 -7.7110 -6.7511 -6.7511 -6.7433 -6.7433 -5.8944 -5.8944 -5.8870 -5.8870 -5.8755 -5.8755 -5.8692 -5.8692 -0.9570 -0.9570 -0.7676 -0.7676 -0.7173 -0.7173 -0.1705 -0.1705 -0.1459 -0.1459 0.3808 0.3808 0.6918 0.6918 0.9871 0.9871 1.1990 1.1990 1.8086 1.8086 2.2010 2.2010 2.2755 2.2755 2.3231 2.3231 2.6316 2.6316 2.7731 2.7731 2.8494 2.8494 3.0288 3.0288 3.1364 3.1364 3.3831 3.3831 3.5073 3.5073 3.6730 3.6730 4.6957 4.6957 5.3893 5.3893 8.3350 8.3350 9.4072 9.4072 9.6056 9.6056 9.7832 9.7832 10.0974 10.0974 k = 0.3819 0.2205 0.5897 ( 10550 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5800 -8.5800 -8.0396 -8.0396 -7.8921 -7.8921 -7.8600 -7.8600 -7.7859 -7.7859 -7.7080 -7.7080 -6.7510 -6.7510 -6.7428 -6.7428 -5.8944 -5.8944 -5.8865 -5.8865 -5.8753 -5.8753 -5.8687 -5.8687 -0.9660 -0.9660 -0.7566 -0.7566 -0.7128 -0.7128 -0.1728 -0.1728 -0.1434 -0.1434 0.3821 0.3821 0.7017 0.7017 0.9947 0.9947 1.1867 1.1867 1.8065 1.8065 2.1969 2.1969 2.2780 2.2780 2.3269 2.3269 2.6303 2.6303 2.7736 2.7736 2.8351 2.8351 3.0232 3.0232 3.1209 3.1209 3.3821 3.3821 3.5027 3.5027 3.6884 3.6884 4.6620 4.6620 5.4044 5.4044 8.3606 8.3606 9.4484 9.4484 9.5976 9.5976 9.7856 9.7856 10.0952 10.0952 k = 0.3750 0.2165 0.6124 ( 10552 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5796 -8.5796 -8.0356 -8.0356 -7.8933 -7.8933 -7.8624 -7.8624 -7.7909 -7.7909 -7.7052 -7.7052 -6.7509 -6.7509 -6.7425 -6.7425 -5.8944 -5.8944 -5.8861 -5.8861 -5.8751 -5.8751 -5.8683 -5.8683 -0.9749 -0.9749 -0.7473 -0.7473 -0.7084 -0.7084 -0.1752 -0.1752 -0.1405 -0.1405 0.3835 0.3835 0.7061 0.7061 1.0029 1.0029 1.1760 1.1760 1.8045 1.8045 2.1942 2.1942 2.2800 2.2800 2.3331 2.3331 2.6280 2.6280 2.7730 2.7730 2.8263 2.8263 3.0186 3.0186 3.1062 3.1062 3.3822 3.3822 3.4989 3.4989 3.7046 3.7046 4.6321 4.6321 5.4201 5.4201 8.3792 8.3792 9.4686 9.4686 9.5982 9.5982 9.7779 9.7779 10.0805 10.0805 k = 0.6250-0.0722 0.4082 ( 10552 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5796 -8.5796 -8.0356 -8.0356 -7.8933 -7.8933 -7.8624 -7.8624 -7.7909 -7.7909 -7.7052 -7.7052 -6.7509 -6.7509 -6.7425 -6.7425 -5.8944 -5.8944 -5.8861 -5.8861 -5.8751 -5.8751 -5.8683 -5.8683 -0.9749 -0.9749 -0.7473 -0.7473 -0.7084 -0.7084 -0.1752 -0.1752 -0.1405 -0.1405 0.3835 0.3835 0.7061 0.7061 1.0029 1.0029 1.1760 1.1760 1.8045 1.8045 2.1942 2.1942 2.2800 2.2800 2.3331 2.3331 2.6280 2.6280 2.7730 2.7730 2.8263 2.8263 3.0186 3.0186 3.1062 3.1062 3.3822 3.3822 3.4989 3.4989 3.7046 3.7046 4.6321 4.6321 5.4201 5.4201 8.3792 8.3792 9.4686 9.4686 9.5982 9.5982 9.7779 9.7779 10.0805 10.0805 k = 0.6125-0.0938 0.4082 ( 10560 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5795 -8.5795 -8.0275 -8.0275 -7.8947 -7.8947 -7.8659 -7.8659 -7.8005 -7.8005 -7.7005 -7.7005 -6.7508 -6.7508 -6.7419 -6.7419 -5.8945 -5.8945 -5.8858 -5.8858 -5.8748 -5.8748 -5.8677 -5.8677 -0.9902 -0.9902 -0.7334 -0.7334 -0.7004 -0.7004 -0.1791 -0.1791 -0.1350 -0.1350 0.3862 0.3862 0.7084 0.7084 1.0157 1.0157 1.1600 1.1600 1.8013 1.8013 2.1909 2.1909 2.2836 2.2836 2.3474 2.3474 2.6229 2.6229 2.7625 2.7625 2.8250 2.8250 3.0107 3.0107 3.0809 3.0809 3.3857 3.3857 3.4937 3.4937 3.7339 3.7339 4.5828 4.5828 5.4490 5.4490 8.4024 8.4024 9.4782 9.4782 9.6044 9.6044 9.7566 9.7566 10.0491 10.0491 k = 0.6000-0.1155 0.4082 ( 10546 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5798 -8.5798 -8.0182 -8.0182 -7.8964 -7.8964 -7.8686 -7.8686 -7.8105 -7.8105 -7.6963 -7.6963 -6.7508 -6.7508 -6.7414 -6.7414 -5.8947 -5.8947 -5.8854 -5.8854 -5.8746 -5.8746 -5.8672 -5.8672 -1.0048 -1.0048 -0.7211 -0.7211 -0.6927 -0.6927 -0.1825 -0.1825 -0.1296 -0.1296 0.3892 0.3892 0.7082 0.7082 1.0257 1.0257 1.1472 1.1472 1.7984 1.7984 2.1884 2.1884 2.2878 2.2878 2.3632 2.3632 2.6180 2.6180 2.7430 2.7430 2.8340 2.8340 3.0011 3.0011 3.0565 3.0565 3.3937 3.3937 3.4896 3.4896 3.7614 3.7614 4.5350 4.5350 5.4781 5.4781 8.4204 8.4204 9.4799 9.4799 9.5970 9.5970 9.7435 9.7435 10.0230 10.0230 k = 0.5875-0.1371 0.4082 ( 10568 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5804 -8.5804 -8.0079 -8.0079 -7.8984 -7.8984 -7.8706 -7.8706 -7.8211 -7.8211 -7.6924 -7.6924 -6.7509 -6.7509 -6.7410 -6.7410 -5.8950 -5.8950 -5.8851 -5.8851 -5.8744 -5.8744 -5.8668 -5.8668 -1.0183 -1.0183 -0.7103 -0.7103 -0.6854 -0.6854 -0.1851 -0.1851 -0.1246 -0.1246 0.3922 0.3922 0.7055 0.7055 1.0324 1.0324 1.1387 1.1387 1.7958 1.7958 2.1867 2.1867 2.2923 2.2923 2.3802 2.3802 2.6126 2.6126 2.7222 2.7222 2.8462 2.8462 2.9889 2.9889 3.0349 3.0349 3.4053 3.4053 3.4870 3.4870 3.7862 3.7862 4.4896 4.4896 5.5065 5.5065 8.4340 8.4340 9.4746 9.4746 9.5771 9.5771 9.7386 9.7386 10.0027 10.0027 k = 0.5750-0.1588 0.4082 ( 10568 PWs) bands (ev): -22.0771 -22.0771 -22.0769 -22.0769 -8.5812 -8.5812 -7.9967 -7.9967 -7.9006 -7.9006 -7.8720 -7.8720 -7.8320 -7.8320 -7.6890 -7.6890 -6.7510 -6.7510 -6.7406 -6.7406 -5.8954 -5.8954 -5.8849 -5.8849 -5.8742 -5.8742 -5.8664 -5.8664 -1.0305 -1.0305 -0.7011 -0.7011 -0.6787 -0.6787 -0.1870 -0.1870 -0.1200 -0.1200 0.3951 0.3951 0.7008 0.7008 1.0356 1.0356 1.1348 1.1348 1.7934 1.7934 2.1858 2.1858 2.2968 2.2968 2.3983 2.3983 2.6059 2.6059 2.7030 2.7030 2.8588 2.8589 2.9729 2.9729 3.0179 3.0179 3.4191 3.4191 3.4863 3.4863 3.8077 3.8077 4.4473 4.4473 5.5335 5.5335 8.4441 8.4441 9.4642 9.4642 9.5504 9.5504 9.7378 9.7378 9.9877 9.9877 k = 0.5625-0.1804 0.4082 ( 10574 PWs) bands (ev): -22.0772 -22.0772 -22.0769 -22.0769 -8.5821 -8.5821 -7.9848 -7.9848 -7.9027 -7.9027 -7.8732 -7.8732 -7.8432 -7.8432 -7.6861 -7.6861 -6.7511 -6.7511 -6.7403 -6.7403 -5.8957 -5.8957 -5.8847 -5.8847 -5.8740 -5.8740 -5.8661 -5.8661 -1.0412 -1.0412 -0.6934 -0.6934 -0.6727 -0.6727 -0.1883 -0.1883 -0.1160 -0.1160 0.3980 0.3980 0.6946 0.6946 1.0361 1.0361 1.1348 1.1348 1.7912 1.7912 2.1854 2.1854 2.3010 2.3010 2.4173 2.4173 2.5968 2.5968 2.6872 2.6872 2.8708 2.8708 2.9546 2.9546 3.0052 3.0052 3.4329 3.4329 3.4886 3.4886 3.8254 3.8254 4.4089 4.4089 5.5583 5.5583 8.4514 8.4514 9.4510 9.4510 9.5221 9.5221 9.7375 9.7375 9.9769 9.9769 k = 0.5500-0.2021 0.4082 ( 10560 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.5829 -8.5829 -7.9725 -7.9725 -7.9049 -7.9049 -7.8744 -7.8744 -7.8540 -7.8540 -7.6837 -7.6837 -6.7513 -6.7513 -6.7400 -6.7400 -5.8960 -5.8960 -5.8845 -5.8845 -5.8738 -5.8738 -5.8658 -5.8658 -1.0502 -1.0502 -0.6872 -0.6872 -0.6676 -0.6676 -0.1890 -0.1890 -0.1125 -0.1125 0.4006 0.4006 0.6878 0.6878 1.0351 1.0351 1.1370 1.1370 1.7894 1.7894 2.1854 2.1854 2.3047 2.3047 2.4368 2.4368 2.5849 2.5849 2.6755 2.6755 2.8812 2.8812 2.9369 2.9369 2.9953 2.9953 3.4438 3.4438 3.4951 3.4951 3.8390 3.8390 4.3756 4.3756 5.5799 5.5799 8.4566 8.4566 9.4370 9.4370 9.4957 9.4957 9.7364 9.7364 9.9694 9.9694 k = 0.5375-0.2237 0.4082 ( 10560 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.5836 -8.5836 -7.9600 -7.9600 -7.9072 -7.9072 -7.8767 -7.8767 -7.8634 -7.8634 -7.6818 -7.6818 -6.7514 -6.7514 -6.7398 -6.7398 -5.8963 -5.8963 -5.8844 -5.8844 -5.8737 -5.8737 -5.8656 -5.8656 -1.0574 -1.0574 -0.6825 -0.6825 -0.6635 -0.6635 -0.1893 -0.1893 -0.1097 -0.1097 0.4028 0.4028 0.6812 0.6812 1.0338 1.0338 1.1400 1.1400 1.7879 1.7879 2.1856 2.1856 2.3078 2.3078 2.4567 2.4567 2.5701 2.5701 2.6677 2.6677 2.8888 2.8888 2.9227 2.9227 2.9871 2.9871 3.4503 3.4503 3.5055 3.5055 3.8485 3.8485 4.3483 4.3483 5.5977 5.5977 8.4600 8.4600 9.4244 9.4244 9.4732 9.4732 9.7344 9.7344 9.9642 9.9642 k = 0.5250-0.2454 0.4082 ( 10556 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.5842 -8.5842 -7.9477 -7.9477 -7.9100 -7.9100 -7.8819 -7.8819 -7.8687 -7.8687 -7.6804 -7.6804 -6.7515 -6.7515 -6.7396 -6.7396 -5.8965 -5.8965 -5.8843 -5.8843 -5.8736 -5.8736 -5.8655 -5.8655 -1.0626 -1.0626 -0.6792 -0.6792 -0.6605 -0.6605 -0.1893 -0.1893 -0.1077 -0.1077 0.4045 0.4045 0.6758 0.6758 1.0326 1.0326 1.1427 1.1427 1.7869 1.7869 2.1859 2.1859 2.3102 2.3102 2.4767 2.4767 2.5533 2.5533 2.6631 2.6631 2.8910 2.8910 2.9159 2.9159 2.9805 2.9805 3.4534 3.4534 3.5165 3.5165 3.8545 3.8545 4.3280 4.3280 5.6109 5.6109 8.4622 8.4622 9.4146 9.4146 9.4562 9.4562 9.7322 9.7322 9.9609 9.9609 k = 0.5125-0.2670 0.4082 ( 10560 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.5846 -8.5846 -7.9365 -7.9365 -7.9141 -7.9141 -7.8879 -7.8879 -7.8704 -7.8704 -7.6796 -7.6796 -6.7516 -6.7516 -6.7395 -6.7395 -5.8966 -5.8966 -5.8842 -5.8842 -5.8736 -5.8736 -5.8654 -5.8654 -1.0657 -1.0657 -0.6773 -0.6773 -0.6587 -0.6587 -0.1893 -0.1893 -0.1065 -0.1065 0.4055 0.4055 0.6723 0.6723 1.0318 1.0318 1.1446 1.1446 1.7862 1.7862 2.1862 2.1862 2.3116 2.3116 2.4965 2.4965 2.5351 2.5351 2.6607 2.6607 2.8884 2.8884 2.9158 2.9158 2.9760 2.9760 3.4547 3.4547 3.5247 3.5247 3.8576 3.8576 4.3155 4.3155 5.6190 5.6190 8.4633 8.4633 9.4083 9.4083 9.4456 9.4456 9.7306 9.7306 9.9590 9.9590 k = 0.5000-0.2887 0.4082 ( 10574 PWs) bands (ev): -22.0772 -22.0772 -22.0768 -22.0768 -8.5847 -8.5847 -7.9301 -7.9301 -7.9179 -7.9179 -7.8903 -7.8903 -7.8707 -7.8707 -7.6793 -7.6793 -6.7516 -6.7516 -6.7395 -6.7395 -5.8967 -5.8967 -5.8842 -5.8842 -5.8736 -5.8736 -5.8654 -5.8654 -1.0668 -1.0668 -0.6766 -0.6766 -0.6581 -0.6581 -0.1893 -0.1893 -0.1061 -0.1061 0.4059 0.4059 0.6711 0.6711 1.0315 1.0315 1.1453 1.1453 1.7860 1.7860 2.1863 2.1863 2.3121 2.3121 2.5159 2.5159 2.5163 2.5163 2.6600 2.6600 2.8868 2.8868 2.9166 2.9166 2.9743 2.9743 3.4551 3.4551 3.5277 3.5277 3.8585 3.8585 4.3113 4.3113 5.6218 5.6218 8.4637 8.4637 9.4062 9.4062 9.4420 9.4420 9.7299 9.7299 9.9584 9.9584 Writing output data file Rb2PtI6.save init_run : 0.74s CPU 0.99s WALL ( 1 calls) electrons : 524.35s CPU 528.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 524.34s CPU 528.57s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.22s CPU 0.34s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.09s WALL ( 195 calls) cegterg : 494.96s CPU 498.52s WALL ( 475 calls) Called by sum_band: Called by *egterg: h_psi : 255.72s CPU 258.86s WALL ( 8013 calls) s_psi : 17.32s CPU 17.45s WALL ( 8013 calls) g_psi : 0.28s CPU 0.34s WALL ( 7343 calls) cdiaghg : 199.88s CPU 200.56s WALL ( 7538 calls) cegterg:over : 19.35s CPU 19.35s WALL ( 7343 calls) cegterg:upda : 13.06s CPU 12.94s WALL ( 7343 calls) cegterg:last : 7.19s CPU 7.16s WALL ( 967 calls) cdiaghg:chol : 7.73s CPU 7.64s WALL ( 7538 calls) cdiaghg:inve : 5.60s CPU 5.65s WALL ( 7538 calls) cdiaghg:para : 12.58s CPU 12.49s WALL ( 15076 calls) Called by h_psi: h_psi:vloc : 219.17s CPU 222.25s WALL ( 8013 calls) h_psi:vnl : 36.14s CPU 36.21s WALL ( 8013 calls) add_vuspsi : 19.04s CPU 19.20s WALL ( 8013 calls) General routines calbec : 17.06s CPU 16.99s WALL ( 8013 calls) fft : 0.04s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 205.96s CPU 208.74s WALL ( 936648 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.10s CPU 0.23s WALL ( 390 calls) Parallel routines fft_scatter : 137.67s CPU 139.62s WALL ( 936671 calls) PWSCF : 9m35.98s CPU 9m50.46s WALL This run was terminated on: 2:57:32 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=