Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:27:29 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Rb2CrF6.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 79 79 21 2809 2809 397 Max 80 80 22 2813 2813 403 Sum 2869 2869 769 101189 101189 14361 bravais-lattice index = 14 lattice parameter (alat) = 11.3888 a.u. unit-cell volume = 1044.5133 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 74.00 number of Kohn-Sham states= 88 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.388757 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 Cr 14.00 51.99610 Cr( 1.00) F 7.00 18.99840 F( 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= 253 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 2) = ( 0.0135135 -0.0078020 0.0110337), wk = 0.0039526 k( 3) = ( 0.0270270 -0.0156041 0.0220675), wk = 0.0039526 k( 4) = ( 0.0405405 -0.0234061 0.0331012), wk = 0.0039526 k( 5) = ( 0.0540540 -0.0312081 0.0441349), wk = 0.0039526 k( 6) = ( 0.0675676 -0.0390102 0.0551687), wk = 0.0039526 k( 7) = ( 0.0810811 -0.0468122 0.0662024), wk = 0.0039526 k( 8) = ( 0.0945946 -0.0546142 0.0772362), wk = 0.0039526 k( 9) = ( 0.1081081 -0.0624162 0.0882699), wk = 0.0039526 k( 10) = ( 0.1216216 -0.0702183 0.0993036), wk = 0.0039526 k( 11) = ( 0.1351351 -0.0780203 0.1103374), wk = 0.0039526 k( 12) = ( 0.1486486 -0.0858223 0.1213711), wk = 0.0039526 k( 13) = ( 0.1621622 -0.0936244 0.1324048), wk = 0.0039526 k( 14) = ( 0.1756757 -0.1014264 0.1434386), wk = 0.0039526 k( 15) = ( 0.1891892 -0.1092284 0.1544723), wk = 0.0039526 k( 16) = ( 0.2027027 -0.1170305 0.1655061), wk = 0.0039526 k( 17) = ( 0.2162162 -0.1248325 0.1765398), wk = 0.0039526 k( 18) = ( 0.2297297 -0.1326345 0.1875735), wk = 0.0039526 k( 19) = ( 0.2432432 -0.1404366 0.1986073), wk = 0.0039526 k( 20) = ( 0.2567568 -0.1482386 0.2096410), wk = 0.0039526 k( 21) = ( 0.2702703 -0.1560406 0.2206748), wk = 0.0039526 k( 22) = ( 0.2837838 -0.1638426 0.2317085), wk = 0.0039526 k( 23) = ( 0.2972973 -0.1716447 0.2427422), wk = 0.0039526 k( 24) = ( 0.3108108 -0.1794467 0.2537760), wk = 0.0039526 k( 25) = ( 0.3243243 -0.1872487 0.2648097), wk = 0.0039526 k( 26) = ( 0.3378378 -0.1950508 0.2758434), wk = 0.0039526 k( 27) = ( 0.3513514 -0.2028528 0.2868772), wk = 0.0039526 k( 28) = ( 0.3648649 -0.2106548 0.2979109), wk = 0.0039526 k( 29) = ( 0.3783784 -0.2184569 0.3089447), wk = 0.0039526 k( 30) = ( 0.3918919 -0.2262589 0.3199784), wk = 0.0039526 k( 31) = ( 0.4054054 -0.2340609 0.3310121), wk = 0.0039526 k( 32) = ( 0.4189189 -0.2418630 0.3420459), wk = 0.0039526 k( 33) = ( 0.4324324 -0.2496650 0.3530796), wk = 0.0039526 k( 34) = ( 0.4459459 -0.2574670 0.3641133), wk = 0.0039526 k( 35) = ( 0.4594595 -0.2652690 0.3751471), wk = 0.0039526 k( 36) = ( 0.4729730 -0.2730711 0.3861808), wk = 0.0039526 k( 37) = ( 0.4864865 -0.2808731 0.3972146), wk = 0.0039526 k( 38) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0039526 k( 39) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0039526 k( 40) = ( 0.5000000 -0.2734817 0.4189917), wk = 0.0039526 k( 41) = ( 0.5000000 -0.2582883 0.4297350), wk = 0.0039526 k( 42) = ( 0.5000000 -0.2430949 0.4404784), wk = 0.0039526 k( 43) = ( 0.5000000 -0.2279014 0.4512218), wk = 0.0039526 k( 44) = ( 0.5000000 -0.2127080 0.4619652), wk = 0.0039526 k( 45) = ( 0.5000000 -0.1975146 0.4727085), wk = 0.0039526 k( 46) = ( 0.5000000 -0.1823211 0.4834519), wk = 0.0039526 k( 47) = ( 0.5000000 -0.1671277 0.4941953), wk = 0.0039526 k( 48) = ( 0.5000000 -0.1519343 0.5049387), wk = 0.0039526 k( 49) = ( 0.5000000 -0.1367409 0.5156821), wk = 0.0039526 k( 50) = ( 0.5000000 -0.1215474 0.5264254), wk = 0.0039526 k( 51) = ( 0.5000000 -0.1063540 0.5371688), wk = 0.0039526 k( 52) = ( 0.5000000 -0.0911606 0.5479122), wk = 0.0039526 k( 53) = ( 0.5000000 -0.0759671 0.5586556), wk = 0.0039526 k( 54) = ( 0.5000000 -0.0607737 0.5693989), wk = 0.0039526 k( 55) = ( 0.5000000 -0.0455803 0.5801423), wk = 0.0039526 k( 56) = ( 0.5000000 -0.0303869 0.5908857), wk = 0.0039526 k( 57) = ( 0.5000000 -0.0151934 0.6016291), wk = 0.0039526 k( 58) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0039526 k( 59) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0039526 k( 60) = ( 0.4910714 0.0154647 0.6123724), wk = 0.0039526 k( 61) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0039526 k( 62) = ( 0.4732143 0.0463942 0.6123724), wk = 0.0039526 k( 63) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0039526 k( 64) = ( 0.4553571 0.0773237 0.6123724), wk = 0.0039526 k( 65) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0039526 k( 66) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0039526 k( 67) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0039526 k( 68) = ( 0.4196429 0.1391826 0.6123724), wk = 0.0039526 k( 69) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0039526 k( 70) = ( 0.4017857 0.1701121 0.6123724), wk = 0.0039526 k( 71) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0039526 k( 72) = ( 0.3839286 0.2010416 0.6123724), wk = 0.0039526 k( 73) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0039526 k( 74) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0039526 k( 75) = ( 0.3656250 0.2110937 0.5970631), wk = 0.0039526 k( 76) = ( 0.3562500 0.2056810 0.5817538), wk = 0.0039526 k( 77) = ( 0.3468750 0.2002684 0.5664445), wk = 0.0039526 k( 78) = ( 0.3375000 0.1948557 0.5511352), wk = 0.0039526 k( 79) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0039526 k( 80) = ( 0.3187500 0.1840304 0.5205166), wk = 0.0039526 k( 81) = ( 0.3093750 0.1786177 0.5052073), wk = 0.0039526 k( 82) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0039526 k( 83) = ( 0.2906250 0.1677924 0.4745886), wk = 0.0039526 k( 84) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0039526 k( 85) = ( 0.2718750 0.1569671 0.4439700), wk = 0.0039526 k( 86) = ( 0.2625000 0.1515544 0.4286607), wk = 0.0039526 k( 87) = ( 0.2531250 0.1461418 0.4133514), wk = 0.0039526 k( 88) = ( 0.2437500 0.1407291 0.3980421), wk = 0.0039526 k( 89) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0039526 k( 90) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0039526 k( 91) = ( 0.2156250 0.1244912 0.3521142), wk = 0.0039526 k( 92) = ( 0.2062500 0.1190785 0.3368048), wk = 0.0039526 k( 93) = ( 0.1968750 0.1136658 0.3214955), wk = 0.0039526 k( 94) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0039526 k( 95) = ( 0.1781250 0.1028405 0.2908769), wk = 0.0039526 k( 96) = ( 0.1687500 0.0974279 0.2755676), wk = 0.0039526 k( 97) = ( 0.1593750 0.0920152 0.2602583), wk = 0.0039526 k( 98) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0039526 k( 99) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0039526 k( 100) = ( 0.1312500 0.0757772 0.2143304), wk = 0.0039526 k( 101) = ( 0.1218750 0.0703646 0.1990210), wk = 0.0039526 k( 102) = ( 0.1125000 0.0649519 0.1837117), wk = 0.0039526 k( 103) = ( 0.1031250 0.0595392 0.1684024), wk = 0.0039526 k( 104) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0039526 k( 105) = ( 0.0843750 0.0487139 0.1377838), wk = 0.0039526 k( 106) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0039526 k( 107) = ( 0.0656250 0.0378886 0.1071652), wk = 0.0039526 k( 108) = ( 0.0562500 0.0324760 0.0918559), wk = 0.0039526 k( 109) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0039526 k( 110) = ( 0.0375000 0.0216506 0.0612372), wk = 0.0039526 k( 111) = ( 0.0281250 0.0162380 0.0459279), wk = 0.0039526 k( 112) = ( 0.0187500 0.0108253 0.0306186), wk = 0.0039526 k( 113) = ( 0.0093750 0.0054127 0.0153093), wk = 0.0039526 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 116) = ( 0.0156250 0.0090211 0.0063789), wk = 0.0039526 k( 117) = ( 0.0312500 0.0180422 0.0127578), wk = 0.0039526 k( 118) = ( 0.0468750 0.0270633 0.0191366), wk = 0.0039526 k( 119) = ( 0.0625000 0.0360844 0.0255155), wk = 0.0039526 k( 120) = ( 0.0781250 0.0451055 0.0318944), wk = 0.0039526 k( 121) = ( 0.0937500 0.0541266 0.0382733), wk = 0.0039526 k( 122) = ( 0.1093750 0.0631477 0.0446522), wk = 0.0039526 k( 123) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0039526 k( 124) = ( 0.1406250 0.0811899 0.0574099), wk = 0.0039526 k( 125) = ( 0.1562500 0.0902110 0.0637888), wk = 0.0039526 k( 126) = ( 0.1718750 0.0992321 0.0701677), wk = 0.0039526 k( 127) = ( 0.1875000 0.1082532 0.0765466), wk = 0.0039526 k( 128) = ( 0.2031250 0.1172743 0.0829254), wk = 0.0039526 k( 129) = ( 0.2187500 0.1262954 0.0893043), wk = 0.0039526 k( 130) = ( 0.2343750 0.1353165 0.0956832), wk = 0.0039526 k( 131) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0039526 k( 132) = ( 0.2656250 0.1533587 0.1084410), wk = 0.0039526 k( 133) = ( 0.2812500 0.1623798 0.1148198), wk = 0.0039526 k( 134) = ( 0.2968750 0.1714009 0.1211987), wk = 0.0039526 k( 135) = ( 0.3125000 0.1804220 0.1275776), wk = 0.0039526 k( 136) = ( 0.3281250 0.1894431 0.1339565), wk = 0.0039526 k( 137) = ( 0.3437500 0.1984642 0.1403353), wk = 0.0039526 k( 138) = ( 0.3593750 0.2074853 0.1467142), wk = 0.0039526 k( 139) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0039526 k( 140) = ( 0.3906250 0.2255274 0.1594720), wk = 0.0039526 k( 141) = ( 0.4062500 0.2345485 0.1658509), wk = 0.0039526 k( 142) = ( 0.4218750 0.2435696 0.1722297), wk = 0.0039526 k( 143) = ( 0.4375000 0.2525907 0.1786086), wk = 0.0039526 k( 144) = ( 0.4531250 0.2616118 0.1849875), wk = 0.0039526 k( 145) = ( 0.4687500 0.2706329 0.1913664), wk = 0.0039526 k( 146) = ( 0.4843750 0.2796540 0.1977453), wk = 0.0039526 k( 147) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0039526 k( 148) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0039526 k( 149) = ( 0.5054348 0.2729863 0.2129991), wk = 0.0039526 k( 150) = ( 0.5108696 0.2572974 0.2218741), wk = 0.0039526 k( 151) = ( 0.5163043 0.2416085 0.2307490), wk = 0.0039526 k( 152) = ( 0.5217391 0.2259197 0.2396240), wk = 0.0039526 k( 153) = ( 0.5271739 0.2102308 0.2484990), wk = 0.0039526 k( 154) = ( 0.5326087 0.1945419 0.2573739), wk = 0.0039526 k( 155) = ( 0.5380435 0.1788531 0.2662489), wk = 0.0039526 k( 156) = ( 0.5434783 0.1631642 0.2751238), wk = 0.0039526 k( 157) = ( 0.5489130 0.1474753 0.2839988), wk = 0.0039526 k( 158) = ( 0.5543478 0.1317865 0.2928738), wk = 0.0039526 k( 159) = ( 0.5597826 0.1160976 0.3017487), wk = 0.0039526 k( 160) = ( 0.5652174 0.1004087 0.3106237), wk = 0.0039526 k( 161) = ( 0.5706522 0.0847199 0.3194987), wk = 0.0039526 k( 162) = ( 0.5760870 0.0690310 0.3283736), wk = 0.0039526 k( 163) = ( 0.5815217 0.0533421 0.3372486), wk = 0.0039526 k( 164) = ( 0.5869565 0.0376533 0.3461235), wk = 0.0039526 k( 165) = ( 0.5923913 0.0219644 0.3549985), wk = 0.0039526 k( 166) = ( 0.5978261 0.0062755 0.3638735), wk = 0.0039526 k( 167) = ( 0.6032609 -0.0094133 0.3727484), wk = 0.0039526 k( 168) = ( 0.6086957 -0.0251022 0.3816234), wk = 0.0039526 k( 169) = ( 0.6141304 -0.0407910 0.3904984), wk = 0.0039526 k( 170) = ( 0.6195652 -0.0564799 0.3993733), wk = 0.0039526 k( 171) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0039526 k( 172) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0039526 k( 173) = ( 0.6160714 -0.0670139 0.4228286), wk = 0.0039526 k( 174) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0039526 k( 175) = ( 0.5982143 -0.0567040 0.4519892), wk = 0.0039526 k( 176) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0039526 k( 177) = ( 0.5803571 -0.0463942 0.4811498), wk = 0.0039526 k( 178) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0039526 k( 179) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0039526 k( 180) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0039526 k( 181) = ( 0.5446429 -0.0257746 0.5394710), wk = 0.0039526 k( 182) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0039526 k( 183) = ( 0.5267857 -0.0154647 0.5686316), wk = 0.0039526 k( 184) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0039526 k( 185) = ( 0.5089286 -0.0051549 0.5977921), wk = 0.0039526 k( 186) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0039526 k( 187) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0039526 k( 188) = ( 0.5000000 0.0106917 0.5972521), wk = 0.0039526 k( 189) = ( 0.5000000 0.0213833 0.5821318), wk = 0.0039526 k( 190) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0039526 k( 191) = ( 0.5000000 0.0427667 0.5518912), wk = 0.0039526 k( 192) = ( 0.5000000 0.0534584 0.5367709), wk = 0.0039526 k( 193) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0039526 k( 194) = ( 0.5000000 0.0748417 0.5065303), wk = 0.0039526 k( 195) = ( 0.5000000 0.0855334 0.4914100), wk = 0.0039526 k( 196) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0039526 k( 197) = ( 0.5000000 0.1069167 0.4611694), wk = 0.0039526 k( 198) = ( 0.5000000 0.1176084 0.4460491), wk = 0.0039526 k( 199) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0039526 k( 200) = ( 0.5000000 0.1389917 0.4158084), wk = 0.0039526 k( 201) = ( 0.5000000 0.1496834 0.4006881), wk = 0.0039526 k( 202) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0039526 k( 203) = ( 0.5000000 0.1710667 0.3704475), wk = 0.0039526 k( 204) = ( 0.5000000 0.1817584 0.3553272), wk = 0.0039526 k( 205) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0039526 k( 206) = ( 0.5000000 0.2031418 0.3250866), wk = 0.0039526 k( 207) = ( 0.5000000 0.2138334 0.3099663), wk = 0.0039526 k( 208) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0039526 k( 209) = ( 0.5000000 0.2352168 0.2797257), wk = 0.0039526 k( 210) = ( 0.5000000 0.2459084 0.2646054), wk = 0.0039526 k( 211) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0039526 k( 212) = ( 0.5000000 0.2672918 0.2343648), wk = 0.0039526 k( 213) = ( 0.5000000 0.2779835 0.2192445), wk = 0.0039526 k( 214) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0039526 k( 215) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0039526 k( 216) = ( 0.4945652 0.2855374 0.2218741), wk = 0.0039526 k( 217) = ( 0.4891304 0.2823996 0.2396240), wk = 0.0039526 k( 218) = ( 0.4836956 0.2792618 0.2573739), wk = 0.0039526 k( 219) = ( 0.4782609 0.2761240 0.2751238), wk = 0.0039526 k( 220) = ( 0.4728261 0.2729863 0.2928738), wk = 0.0039526 k( 221) = ( 0.4673913 0.2698485 0.3106237), wk = 0.0039526 k( 222) = ( 0.4619565 0.2667107 0.3283736), wk = 0.0039526 k( 223) = ( 0.4565217 0.2635729 0.3461235), wk = 0.0039526 k( 224) = ( 0.4510870 0.2604352 0.3638735), wk = 0.0039526 k( 225) = ( 0.4456522 0.2572974 0.3816234), wk = 0.0039526 k( 226) = ( 0.4402174 0.2541596 0.3993733), wk = 0.0039526 k( 227) = ( 0.4347826 0.2510219 0.4171232), wk = 0.0039526 k( 228) = ( 0.4293478 0.2478841 0.4348732), wk = 0.0039526 k( 229) = ( 0.4239130 0.2447463 0.4526231), wk = 0.0039526 k( 230) = ( 0.4184783 0.2416085 0.4703730), wk = 0.0039526 k( 231) = ( 0.4130435 0.2384708 0.4881230), wk = 0.0039526 k( 232) = ( 0.4076087 0.2353330 0.5058729), wk = 0.0039526 k( 233) = ( 0.4021739 0.2321952 0.5236228), wk = 0.0039526 k( 234) = ( 0.3967391 0.2290574 0.5413727), wk = 0.0039526 k( 235) = ( 0.3913044 0.2259197 0.5591227), wk = 0.0039526 k( 236) = ( 0.3858696 0.2227819 0.5768726), wk = 0.0039526 k( 237) = ( 0.3804348 0.2196441 0.5946225), wk = 0.0039526 k( 238) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0039526 k( 239) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0039526 k( 240) = ( 0.6160714 -0.0876335 0.4082483), wk = 0.0039526 k( 241) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0039526 k( 242) = ( 0.5982143 -0.1185630 0.4082483), wk = 0.0039526 k( 243) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0039526 k( 244) = ( 0.5803571 -0.1494925 0.4082483), wk = 0.0039526 k( 245) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0039526 k( 246) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0039526 k( 247) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0039526 k( 248) = ( 0.5446429 -0.2113514 0.4082483), wk = 0.0039526 k( 249) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0039526 k( 250) = ( 0.5267857 -0.2422809 0.4082483), wk = 0.0039526 k( 251) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0039526 k( 252) = ( 0.5089286 -0.2732104 0.4082483), wk = 0.0039526 k( 253) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0039526 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 2) = ( 0.0135135 -0.0000000 0.0135135), wk = 0.0039526 k( 3) = ( 0.0270270 -0.0000000 0.0270270), wk = 0.0039526 k( 4) = ( 0.0405405 -0.0000000 0.0405405), wk = 0.0039526 k( 5) = ( 0.0540540 -0.0000000 0.0540540), wk = 0.0039526 k( 6) = ( 0.0675676 -0.0000000 0.0675676), wk = 0.0039526 k( 7) = ( 0.0810811 -0.0000000 0.0810811), wk = 0.0039526 k( 8) = ( 0.0945946 -0.0000000 0.0945946), wk = 0.0039526 k( 9) = ( 0.1081081 -0.0000000 0.1081081), wk = 0.0039526 k( 10) = ( 0.1216216 -0.0000000 0.1216216), wk = 0.0039526 k( 11) = ( 0.1351351 -0.0000000 0.1351351), wk = 0.0039526 k( 12) = ( 0.1486486 -0.0000000 0.1486486), wk = 0.0039526 k( 13) = ( 0.1621622 -0.0000000 0.1621622), wk = 0.0039526 k( 14) = ( 0.1756757 -0.0000000 0.1756757), wk = 0.0039526 k( 15) = ( 0.1891892 -0.0000000 0.1891892), wk = 0.0039526 k( 16) = ( 0.2027027 -0.0000000 0.2027027), wk = 0.0039526 k( 17) = ( 0.2162162 -0.0000000 0.2162162), wk = 0.0039526 k( 18) = ( 0.2297297 -0.0000000 0.2297297), wk = 0.0039526 k( 19) = ( 0.2432432 -0.0000000 0.2432432), wk = 0.0039526 k( 20) = ( 0.2567568 -0.0000000 0.2567568), wk = 0.0039526 k( 21) = ( 0.2702703 -0.0000000 0.2702703), wk = 0.0039526 k( 22) = ( 0.2837838 -0.0000000 0.2837838), wk = 0.0039526 k( 23) = ( 0.2972973 -0.0000000 0.2972973), wk = 0.0039526 k( 24) = ( 0.3108108 -0.0000000 0.3108108), wk = 0.0039526 k( 25) = ( 0.3243243 -0.0000000 0.3243243), wk = 0.0039526 k( 26) = ( 0.3378378 -0.0000000 0.3378378), wk = 0.0039526 k( 27) = ( 0.3513514 -0.0000000 0.3513514), wk = 0.0039526 k( 28) = ( 0.3648649 -0.0000000 0.3648649), wk = 0.0039526 k( 29) = ( 0.3783784 -0.0000000 0.3783784), wk = 0.0039526 k( 30) = ( 0.3918919 -0.0000000 0.3918919), wk = 0.0039526 k( 31) = ( 0.4054054 -0.0000000 0.4054054), wk = 0.0039526 k( 32) = ( 0.4189189 -0.0000000 0.4189189), wk = 0.0039526 k( 33) = ( 0.4324324 -0.0000000 0.4324324), wk = 0.0039526 k( 34) = ( 0.4459459 -0.0000000 0.4459459), wk = 0.0039526 k( 35) = ( 0.4594595 -0.0000000 0.4594595), wk = 0.0039526 k( 36) = ( 0.4729730 -0.0000000 0.4729730), wk = 0.0039526 k( 37) = ( 0.4864865 -0.0000000 0.4864865), wk = 0.0039526 k( 38) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0039526 k( 39) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0039526 k( 40) = ( 0.5000000 0.0131579 0.5131579), wk = 0.0039526 k( 41) = ( 0.5000000 0.0263158 0.5263158), wk = 0.0039526 k( 42) = ( 0.5000000 0.0394737 0.5394737), wk = 0.0039526 k( 43) = ( 0.5000000 0.0526316 0.5526316), wk = 0.0039526 k( 44) = ( 0.5000000 0.0657895 0.5657895), wk = 0.0039526 k( 45) = ( 0.5000000 0.0789474 0.5789474), wk = 0.0039526 k( 46) = ( 0.5000000 0.0921053 0.5921053), wk = 0.0039526 k( 47) = ( 0.5000000 0.1052632 0.6052632), wk = 0.0039526 k( 48) = ( 0.5000000 0.1184210 0.6184211), wk = 0.0039526 k( 49) = ( 0.5000000 0.1315789 0.6315789), wk = 0.0039526 k( 50) = ( 0.5000000 0.1447368 0.6447368), wk = 0.0039526 k( 51) = ( 0.5000000 0.1578947 0.6578947), wk = 0.0039526 k( 52) = ( 0.5000000 0.1710526 0.6710526), wk = 0.0039526 k( 53) = ( 0.5000000 0.1842105 0.6842105), wk = 0.0039526 k( 54) = ( 0.5000000 0.1973684 0.6973684), wk = 0.0039526 k( 55) = ( 0.5000000 0.2105263 0.7105263), wk = 0.0039526 k( 56) = ( 0.5000000 0.2236842 0.7236842), wk = 0.0039526 k( 57) = ( 0.5000000 0.2368421 0.7368421), wk = 0.0039526 k( 58) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0039526 k( 59) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0039526 k( 60) = ( 0.4910714 0.2589286 0.7500000), wk = 0.0039526 k( 61) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0039526 k( 62) = ( 0.4732143 0.2767857 0.7500000), wk = 0.0039526 k( 63) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0039526 k( 64) = ( 0.4553571 0.2946429 0.7500000), wk = 0.0039526 k( 65) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0039526 k( 66) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0039526 k( 67) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0039526 k( 68) = ( 0.4196429 0.3303571 0.7500000), wk = 0.0039526 k( 69) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0039526 k( 70) = ( 0.4017857 0.3482143 0.7500000), wk = 0.0039526 k( 71) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0039526 k( 72) = ( 0.3839286 0.3660714 0.7500000), wk = 0.0039526 k( 73) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0039526 k( 74) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0039526 k( 75) = ( 0.3656250 0.3656250 0.7312500), wk = 0.0039526 k( 76) = ( 0.3562500 0.3562500 0.7125000), wk = 0.0039526 k( 77) = ( 0.3468750 0.3468750 0.6937500), wk = 0.0039526 k( 78) = ( 0.3375000 0.3375000 0.6750000), wk = 0.0039526 k( 79) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0039526 k( 80) = ( 0.3187500 0.3187500 0.6375000), wk = 0.0039526 k( 81) = ( 0.3093750 0.3093750 0.6187500), wk = 0.0039526 k( 82) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0039526 k( 83) = ( 0.2906250 0.2906250 0.5812500), wk = 0.0039526 k( 84) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0039526 k( 85) = ( 0.2718750 0.2718750 0.5437500), wk = 0.0039526 k( 86) = ( 0.2625000 0.2625000 0.5250000), wk = 0.0039526 k( 87) = ( 0.2531250 0.2531250 0.5062500), wk = 0.0039526 k( 88) = ( 0.2437500 0.2437500 0.4875000), wk = 0.0039526 k( 89) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0039526 k( 90) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0039526 k( 91) = ( 0.2156250 0.2156250 0.4312500), wk = 0.0039526 k( 92) = ( 0.2062500 0.2062500 0.4125000), wk = 0.0039526 k( 93) = ( 0.1968750 0.1968750 0.3937500), wk = 0.0039526 k( 94) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0039526 k( 95) = ( 0.1781250 0.1781250 0.3562500), wk = 0.0039526 k( 96) = ( 0.1687500 0.1687500 0.3375000), wk = 0.0039526 k( 97) = ( 0.1593750 0.1593750 0.3187500), wk = 0.0039526 k( 98) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0039526 k( 99) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0039526 k( 100) = ( 0.1312500 0.1312500 0.2625000), wk = 0.0039526 k( 101) = ( 0.1218750 0.1218750 0.2437500), wk = 0.0039526 k( 102) = ( 0.1125000 0.1125000 0.2250000), wk = 0.0039526 k( 103) = ( 0.1031250 0.1031250 0.2062500), wk = 0.0039526 k( 104) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0039526 k( 105) = ( 0.0843750 0.0843750 0.1687500), wk = 0.0039526 k( 106) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0039526 k( 107) = ( 0.0656250 0.0656250 0.1312500), wk = 0.0039526 k( 108) = ( 0.0562500 0.0562500 0.1125000), wk = 0.0039526 k( 109) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0039526 k( 110) = ( 0.0375000 0.0375000 0.0750000), wk = 0.0039526 k( 111) = ( 0.0281250 0.0281250 0.0562500), wk = 0.0039526 k( 112) = ( 0.0187500 0.0187500 0.0375000), wk = 0.0039526 k( 113) = ( 0.0093750 0.0093750 0.0187500), wk = 0.0039526 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 116) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0039526 k( 117) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0039526 k( 118) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0039526 k( 119) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0039526 k( 120) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0039526 k( 121) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0039526 k( 122) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0039526 k( 123) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0039526 k( 124) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0039526 k( 125) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0039526 k( 126) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0039526 k( 127) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0039526 k( 128) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0039526 k( 129) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0039526 k( 130) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0039526 k( 131) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039526 k( 132) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0039526 k( 133) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0039526 k( 134) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0039526 k( 135) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0039526 k( 136) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0039526 k( 137) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0039526 k( 138) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0039526 k( 139) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0039526 k( 140) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0039526 k( 141) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0039526 k( 142) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0039526 k( 143) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0039526 k( 144) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0039526 k( 145) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0039526 k( 146) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0039526 k( 147) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 149) = ( 0.5054348 0.4891304 0.5054348), wk = 0.0039526 k( 150) = ( 0.5108696 0.4782609 0.5108696), wk = 0.0039526 k( 151) = ( 0.5163043 0.4673913 0.5163043), wk = 0.0039526 k( 152) = ( 0.5217391 0.4565217 0.5217391), wk = 0.0039526 k( 153) = ( 0.5271739 0.4456522 0.5271739), wk = 0.0039526 k( 154) = ( 0.5326087 0.4347826 0.5326087), wk = 0.0039526 k( 155) = ( 0.5380435 0.4239130 0.5380435), wk = 0.0039526 k( 156) = ( 0.5434783 0.4130435 0.5434783), wk = 0.0039526 k( 157) = ( 0.5489130 0.4021739 0.5489130), wk = 0.0039526 k( 158) = ( 0.5543478 0.3913043 0.5543478), wk = 0.0039526 k( 159) = ( 0.5597826 0.3804348 0.5597826), wk = 0.0039526 k( 160) = ( 0.5652174 0.3695652 0.5652174), wk = 0.0039526 k( 161) = ( 0.5706522 0.3586956 0.5706522), wk = 0.0039526 k( 162) = ( 0.5760870 0.3478261 0.5760870), wk = 0.0039526 k( 163) = ( 0.5815217 0.3369565 0.5815217), wk = 0.0039526 k( 164) = ( 0.5869565 0.3260870 0.5869565), wk = 0.0039526 k( 165) = ( 0.5923913 0.3152174 0.5923913), wk = 0.0039526 k( 166) = ( 0.5978261 0.3043478 0.5978261), wk = 0.0039526 k( 167) = ( 0.6032609 0.2934783 0.6032609), wk = 0.0039526 k( 168) = ( 0.6086957 0.2826087 0.6086957), wk = 0.0039526 k( 169) = ( 0.6141304 0.2717391 0.6141304), wk = 0.0039526 k( 170) = ( 0.6195652 0.2608696 0.6195652), wk = 0.0039526 k( 171) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0039526 k( 172) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0039526 k( 173) = ( 0.6160714 0.2500000 0.6339286), wk = 0.0039526 k( 174) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0039526 k( 175) = ( 0.5982143 0.2500000 0.6517857), wk = 0.0039526 k( 176) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0039526 k( 177) = ( 0.5803571 0.2500000 0.6696429), wk = 0.0039526 k( 178) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0039526 k( 179) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0039526 k( 180) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0039526 k( 181) = ( 0.5446429 0.2500000 0.7053571), wk = 0.0039526 k( 182) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0039526 k( 183) = ( 0.5267857 0.2500000 0.7232143), wk = 0.0039526 k( 184) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0039526 k( 185) = ( 0.5089286 0.2500000 0.7410714), wk = 0.0039526 k( 186) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0039526 k( 187) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0039526 k( 188) = ( 0.5000000 0.2592593 0.7407407), wk = 0.0039526 k( 189) = ( 0.5000000 0.2685185 0.7314815), wk = 0.0039526 k( 190) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0039526 k( 191) = ( 0.5000000 0.2870370 0.7129630), wk = 0.0039526 k( 192) = ( 0.5000000 0.2962963 0.7037037), wk = 0.0039526 k( 193) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0039526 k( 194) = ( 0.5000000 0.3148148 0.6851852), wk = 0.0039526 k( 195) = ( 0.5000000 0.3240741 0.6759259), wk = 0.0039526 k( 196) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0039526 k( 197) = ( 0.5000000 0.3425926 0.6574074), wk = 0.0039526 k( 198) = ( 0.5000000 0.3518518 0.6481482), wk = 0.0039526 k( 199) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0039526 k( 200) = ( 0.5000000 0.3703704 0.6296296), wk = 0.0039526 k( 201) = ( 0.5000000 0.3796296 0.6203704), wk = 0.0039526 k( 202) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0039526 k( 203) = ( 0.5000000 0.3981481 0.6018518), wk = 0.0039526 k( 204) = ( 0.5000000 0.4074074 0.5925926), wk = 0.0039526 k( 205) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0039526 k( 206) = ( 0.5000000 0.4259259 0.5740741), wk = 0.0039526 k( 207) = ( 0.5000000 0.4351852 0.5648148), wk = 0.0039526 k( 208) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0039526 k( 209) = ( 0.5000000 0.4537037 0.5462963), wk = 0.0039526 k( 210) = ( 0.5000000 0.4629630 0.5370370), wk = 0.0039526 k( 211) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0039526 k( 212) = ( 0.5000000 0.4814815 0.5185185), wk = 0.0039526 k( 213) = ( 0.5000000 0.4907407 0.5092593), wk = 0.0039526 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 216) = ( 0.4945652 0.4945652 0.5108696), wk = 0.0039526 k( 217) = ( 0.4891304 0.4891304 0.5217391), wk = 0.0039526 k( 218) = ( 0.4836956 0.4836956 0.5326087), wk = 0.0039526 k( 219) = ( 0.4782609 0.4782609 0.5434783), wk = 0.0039526 k( 220) = ( 0.4728261 0.4728261 0.5543478), wk = 0.0039526 k( 221) = ( 0.4673913 0.4673913 0.5652174), wk = 0.0039526 k( 222) = ( 0.4619565 0.4619565 0.5760870), wk = 0.0039526 k( 223) = ( 0.4565217 0.4565217 0.5869565), wk = 0.0039526 k( 224) = ( 0.4510870 0.4510870 0.5978261), wk = 0.0039526 k( 225) = ( 0.4456522 0.4456522 0.6086956), wk = 0.0039526 k( 226) = ( 0.4402174 0.4402174 0.6195652), wk = 0.0039526 k( 227) = ( 0.4347826 0.4347826 0.6304348), wk = 0.0039526 k( 228) = ( 0.4293478 0.4293478 0.6413043), wk = 0.0039526 k( 229) = ( 0.4239130 0.4239130 0.6521739), wk = 0.0039526 k( 230) = ( 0.4184783 0.4184783 0.6630435), wk = 0.0039526 k( 231) = ( 0.4130435 0.4130435 0.6739130), wk = 0.0039526 k( 232) = ( 0.4076087 0.4076087 0.6847826), wk = 0.0039526 k( 233) = ( 0.4021739 0.4021739 0.6956522), wk = 0.0039526 k( 234) = ( 0.3967391 0.3967391 0.7065217), wk = 0.0039526 k( 235) = ( 0.3913044 0.3913043 0.7173913), wk = 0.0039526 k( 236) = ( 0.3858696 0.3858696 0.7282609), wk = 0.0039526 k( 237) = ( 0.3804348 0.3804348 0.7391304), wk = 0.0039526 k( 238) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0039526 k( 239) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0039526 k( 240) = ( 0.6160714 0.2321429 0.6160714), wk = 0.0039526 k( 241) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0039526 k( 242) = ( 0.5982143 0.1964286 0.5982143), wk = 0.0039526 k( 243) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0039526 k( 244) = ( 0.5803571 0.1607143 0.5803571), wk = 0.0039526 k( 245) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0039526 k( 246) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0039526 k( 247) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0039526 k( 248) = ( 0.5446429 0.0892857 0.5446429), wk = 0.0039526 k( 249) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0039526 k( 250) = ( 0.5267857 0.0535714 0.5267857), wk = 0.0039526 k( 251) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0039526 k( 252) = ( 0.5089286 0.0178571 0.5089286), wk = 0.0039526 k( 253) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0039526 Dense grid: 101189 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.94 Mb ( 700, 88) NL pseudopotentials 0.99 Mb ( 350, 186) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2810) G-vector shells 0.00 Mb ( 619) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.76 Mb ( 700, 352) Each subspace H/S matrix 0.12 Mb ( 88, 88) Each matrix 0.50 Mb ( 186, 2, 88) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Rb2CrF6.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.3 secs Computing kpt #: 4 total cpu time spent up to now is 8.8 secs Computing kpt #: 5 total cpu time spent up to now is 10.3 secs Computing kpt #: 6 total cpu time spent up to now is 11.8 secs Computing kpt #: 7 total cpu time spent up to now is 13.5 secs Computing kpt #: 8 total cpu time spent up to now is 15.0 secs Computing kpt #: 9 total cpu time spent up to now is 16.8 secs Computing kpt #: 10 total cpu time spent up to now is 18.6 secs Computing kpt #: 11 total cpu time spent up to now is 20.5 secs Computing kpt #: 12 total cpu time spent up to now is 22.3 secs Computing kpt #: 13 total cpu time spent up to now is 24.2 secs Computing kpt #: 14 total cpu time spent up to now is 26.1 secs Computing kpt #: 15 total cpu time spent up to now is 27.9 secs Computing kpt #: 16 total cpu time spent up to now is 29.8 secs Computing kpt #: 17 total cpu time spent up to now is 31.6 secs Computing kpt #: 18 total cpu time spent up to now is 33.5 secs Computing kpt #: 19 total cpu time spent up to now is 35.3 secs Computing kpt #: 20 total cpu time spent up to now is 37.2 secs Computing kpt #: 21 total cpu time spent up to now is 39.0 secs Computing kpt #: 22 total cpu time spent up to now is 40.8 secs Computing kpt #: 23 total cpu time spent up to now is 42.7 secs Computing kpt #: 24 total cpu time spent up to now is 44.5 secs Computing kpt #: 25 total cpu time spent up to now is 46.4 secs Computing kpt #: 26 total cpu time spent up to now is 48.2 secs Computing kpt #: 27 total cpu time spent up to now is 50.0 secs Computing kpt #: 28 total cpu time spent up to now is 51.8 secs Computing kpt #: 29 total cpu time spent up to now is 53.7 secs Computing kpt #: 30 total cpu time spent up to now is 55.5 secs Computing kpt #: 31 total cpu time spent up to now is 57.3 secs Computing kpt #: 32 total cpu time spent up to now is 59.1 secs Computing kpt #: 33 total cpu time spent up to now is 61.0 secs Computing kpt #: 34 total cpu time spent up to now is 62.8 secs Computing kpt #: 35 total cpu time spent up to now is 64.6 secs Computing kpt #: 36 total cpu time spent up to now is 66.5 secs Computing kpt #: 37 total cpu time spent up to now is 68.4 secs Computing kpt #: 38 total cpu time spent up to now is 70.2 secs Computing kpt #: 39 total cpu time spent up to now is 72.0 secs Computing kpt #: 40 total cpu time spent up to now is 73.9 secs Computing kpt #: 41 total cpu time spent up to now is 75.7 secs Computing kpt #: 42 total cpu time spent up to now is 77.6 secs Computing kpt #: 43 total cpu time spent up to now is 79.5 secs Computing kpt #: 44 total cpu time spent up to now is 81.4 secs Computing kpt #: 45 total cpu time spent up to now is 83.2 secs Computing kpt #: 46 total cpu time spent up to now is 85.1 secs Computing kpt #: 47 total cpu time spent up to now is 86.7 secs Computing kpt #: 48 total cpu time spent up to now is 88.2 secs Computing kpt #: 49 total cpu time spent up to now is 89.7 secs Computing kpt #: 50 total cpu time spent up to now is 91.2 secs Computing kpt #: 51 total cpu time spent up to now is 92.8 secs Computing kpt #: 52 total cpu time spent up to now is 94.3 secs Computing kpt #: 53 total cpu time spent up to now is 95.8 secs Computing kpt #: 54 total cpu time spent up to now is 97.3 secs Computing kpt #: 55 total cpu time spent up to now is 98.9 secs Computing kpt #: 56 total cpu time spent up to now is 100.4 secs Computing kpt #: 57 total cpu time spent up to now is 101.9 secs Computing kpt #: 58 total cpu time spent up to now is 103.4 secs Computing kpt #: 59 total cpu time spent up to now is 104.9 secs Computing kpt #: 60 total cpu time spent up to now is 106.4 secs Computing kpt #: 61 total cpu time spent up to now is 107.9 secs Computing kpt #: 62 total cpu time spent up to now is 109.5 secs Computing kpt #: 63 total cpu time spent up to now is 111.0 secs Computing kpt #: 64 total cpu time spent up to now is 112.6 secs Computing kpt #: 65 total cpu time spent up to now is 114.1 secs Computing kpt #: 66 total cpu time spent up to now is 115.6 secs Computing kpt #: 67 total cpu time spent up to now is 117.2 secs Computing kpt #: 68 total cpu time spent up to now is 118.7 secs Computing kpt #: 69 total cpu time spent up to now is 120.3 secs Computing kpt #: 70 total cpu time spent up to now is 121.8 secs Computing kpt #: 71 total cpu time spent up to now is 123.4 secs Computing kpt #: 72 total cpu time spent up to now is 125.0 secs Computing kpt #: 73 total cpu time spent up to now is 126.5 secs Computing kpt #: 74 total cpu time spent up to now is 128.1 secs Computing kpt #: 75 total cpu time spent up to now is 129.6 secs Computing kpt #: 76 total cpu time spent up to now is 131.2 secs Computing kpt #: 77 total cpu time spent up to now is 133.0 secs Computing kpt #: 78 total cpu time spent up to now is 134.6 secs Computing kpt #: 79 total cpu time spent up to now is 136.2 secs Computing kpt #: 80 total cpu time spent up to now is 137.8 secs Computing kpt #: 81 total cpu time spent up to now is 139.3 secs Computing kpt #: 82 total cpu time spent up to now is 141.0 secs Computing kpt #: 83 total cpu time spent up to now is 142.6 secs Computing kpt #: 84 total cpu time spent up to now is 144.2 secs Computing kpt #: 85 total cpu time spent up to now is 146.0 secs Computing kpt #: 86 total cpu time spent up to now is 147.6 secs Computing kpt #: 87 total cpu time spent up to now is 149.2 secs Computing kpt #: 88 total cpu time spent up to now is 151.0 secs Computing kpt #: 89 total cpu time spent up to now is 152.9 secs Computing kpt #: 90 total cpu time spent up to now is 154.8 secs Computing kpt #: 91 total cpu time spent up to now is 156.7 secs Computing kpt #: 92 total cpu time spent up to now is 158.7 secs Computing kpt #: 93 total cpu time spent up to now is 160.6 secs Computing kpt #: 94 total cpu time spent up to now is 162.5 secs Computing kpt #: 95 total cpu time spent up to now is 164.4 secs Computing kpt #: 96 total cpu time spent up to now is 166.2 secs Computing kpt #: 97 total cpu time spent up to now is 168.1 secs Computing kpt #: 98 total cpu time spent up to now is 170.0 secs Computing kpt #: 99 total cpu time spent up to now is 172.4 secs Computing kpt #: 100 total cpu time spent up to now is 174.3 secs Computing kpt #: 101 total cpu time spent up to now is 176.1 secs Computing kpt #: 102 total cpu time spent up to now is 177.9 secs Computing kpt #: 103 total cpu time spent up to now is 179.7 secs Computing kpt #: 104 total cpu time spent up to now is 181.5 secs Computing kpt #: 105 total cpu time spent up to now is 183.3 secs Computing kpt #: 106 total cpu time spent up to now is 185.1 secs Computing kpt #: 107 total cpu time spent up to now is 186.9 secs Computing kpt #: 108 total cpu time spent up to now is 188.4 secs Computing kpt #: 109 total cpu time spent up to now is 189.9 secs Computing kpt #: 110 total cpu time spent up to now is 191.3 secs Computing kpt #: 111 total cpu time spent up to now is 192.8 secs Computing kpt #: 112 total cpu time spent up to now is 194.2 secs Computing kpt #: 113 total cpu time spent up to now is 195.7 secs Computing kpt #: 114 total cpu time spent up to now is 197.1 secs Computing kpt #: 115 total cpu time spent up to now is 198.6 secs Computing kpt #: 116 total cpu time spent up to now is 200.0 secs Computing kpt #: 117 total cpu time spent up to now is 201.5 secs Computing kpt #: 118 total cpu time spent up to now is 202.9 secs Computing kpt #: 119 total cpu time spent up to now is 204.4 secs Computing kpt #: 120 total cpu time spent up to now is 206.2 secs Computing kpt #: 121 total cpu time spent up to now is 207.9 secs Computing kpt #: 122 total cpu time spent up to now is 209.7 secs Computing kpt #: 123 total cpu time spent up to now is 211.5 secs Computing kpt #: 124 total cpu time spent up to now is 213.3 secs Computing kpt #: 125 total cpu time spent up to now is 215.1 secs Computing kpt #: 126 total cpu time spent up to now is 216.9 secs Computing kpt #: 127 total cpu time spent up to now is 218.7 secs Computing kpt #: 128 total cpu time spent up to now is 220.5 secs Computing kpt #: 129 total cpu time spent up to now is 222.3 secs Computing kpt #: 130 total cpu time spent up to now is 224.2 secs Computing kpt #: 131 total cpu time spent up to now is 226.0 secs Computing kpt #: 132 total cpu time spent up to now is 227.9 secs Computing kpt #: 133 total cpu time spent up to now is 229.8 secs Computing kpt #: 134 total cpu time spent up to now is 231.6 secs Computing kpt #: 135 total cpu time spent up to now is 233.5 secs Computing kpt #: 136 total cpu time spent up to now is 235.4 secs Computing kpt #: 137 total cpu time spent up to now is 237.3 secs Computing kpt #: 138 total cpu time spent up to now is 239.2 secs Computing kpt #: 139 total cpu time spent up to now is 241.1 secs Computing kpt #: 140 total cpu time spent up to now is 243.5 secs Computing kpt #: 141 total cpu time spent up to now is 246.2 secs Computing kpt #: 142 total cpu time spent up to now is 249.2 secs Computing kpt #: 143 total cpu time spent up to now is 252.8 secs Computing kpt #: 144 total cpu time spent up to now is 256.4 secs Computing kpt #: 145 total cpu time spent up to now is 259.5 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 263.9 secs Computing kpt #: 147 total cpu time spent up to now is 268.1 secs Computing kpt #: 148 total cpu time spent up to now is 271.3 secs Computing kpt #: 149 total cpu time spent up to now is 275.5 secs Computing kpt #: 150 total cpu time spent up to now is 278.5 secs Computing kpt #: 151 total cpu time spent up to now is 280.9 secs Computing kpt #: 152 total cpu time spent up to now is 283.3 secs Computing kpt #: 153 total cpu time spent up to now is 285.3 secs Computing kpt #: 154 total cpu time spent up to now is 287.4 secs Computing kpt #: 155 total cpu time spent up to now is 289.4 secs Computing kpt #: 156 total cpu time spent up to now is 291.2 secs Computing kpt #: 157 total cpu time spent up to now is 293.1 secs Computing kpt #: 158 total cpu time spent up to now is 294.9 secs Computing kpt #: 159 total cpu time spent up to now is 296.8 secs Computing kpt #: 160 total cpu time spent up to now is 298.6 secs Computing kpt #: 161 total cpu time spent up to now is 300.5 secs Computing kpt #: 162 total cpu time spent up to now is 302.3 secs Computing kpt #: 163 total cpu time spent up to now is 304.1 secs Computing kpt #: 164 total cpu time spent up to now is 305.7 secs Computing kpt #: 165 total cpu time spent up to now is 307.2 secs Computing kpt #: 166 total cpu time spent up to now is 308.8 secs Computing kpt #: 167 total cpu time spent up to now is 310.4 secs Computing kpt #: 168 total cpu time spent up to now is 312.0 secs Computing kpt #: 169 total cpu time spent up to now is 313.5 secs Computing kpt #: 170 total cpu time spent up to now is 315.1 secs Computing kpt #: 171 total cpu time spent up to now is 316.7 secs Computing kpt #: 172 total cpu time spent up to now is 318.3 secs Computing kpt #: 173 total cpu time spent up to now is 319.8 secs Computing kpt #: 174 total cpu time spent up to now is 321.4 secs Computing kpt #: 175 total cpu time spent up to now is 322.9 secs Computing kpt #: 176 total cpu time spent up to now is 324.5 secs Computing kpt #: 177 total cpu time spent up to now is 326.0 secs Computing kpt #: 178 total cpu time spent up to now is 327.6 secs Computing kpt #: 179 total cpu time spent up to now is 329.2 secs Computing kpt #: 180 total cpu time spent up to now is 330.7 secs Computing kpt #: 181 total cpu time spent up to now is 332.3 secs Computing kpt #: 182 total cpu time spent up to now is 333.8 secs Computing kpt #: 183 total cpu time spent up to now is 335.3 secs Computing kpt #: 184 total cpu time spent up to now is 336.9 secs Computing kpt #: 185 total cpu time spent up to now is 338.4 secs Computing kpt #: 186 total cpu time spent up to now is 339.9 secs Computing kpt #: 187 total cpu time spent up to now is 341.4 secs Computing kpt #: 188 total cpu time spent up to now is 342.9 secs Computing kpt #: 189 total cpu time spent up to now is 344.4 secs Computing kpt #: 190 total cpu time spent up to now is 345.9 secs Computing kpt #: 191 total cpu time spent up to now is 347.5 secs Computing kpt #: 192 total cpu time spent up to now is 349.0 secs Computing kpt #: 193 total cpu time spent up to now is 350.5 secs Computing kpt #: 194 total cpu time spent up to now is 352.1 secs Computing kpt #: 195 total cpu time spent up to now is 353.6 secs Computing kpt #: 196 total cpu time spent up to now is 355.2 secs Computing kpt #: 197 total cpu time spent up to now is 356.7 secs Computing kpt #: 198 total cpu time spent up to now is 358.3 secs Computing kpt #: 199 total cpu time spent up to now is 359.9 secs Computing kpt #: 200 total cpu time spent up to now is 361.7 secs Computing kpt #: 201 total cpu time spent up to now is 363.5 secs Computing kpt #: 202 total cpu time spent up to now is 365.4 secs Computing kpt #: 203 total cpu time spent up to now is 367.2 secs Computing kpt #: 204 total cpu time spent up to now is 369.1 secs Computing kpt #: 205 total cpu time spent up to now is 370.9 secs Computing kpt #: 206 total cpu time spent up to now is 372.8 secs Computing kpt #: 207 total cpu time spent up to now is 374.7 secs Computing kpt #: 208 total cpu time spent up to now is 376.6 secs Computing kpt #: 209 total cpu time spent up to now is 378.5 secs Computing kpt #: 210 total cpu time spent up to now is 380.5 secs Computing kpt #: 211 total cpu time spent up to now is 382.7 secs Computing kpt #: 212 total cpu time spent up to now is 385.7 secs Computing kpt #: 213 total cpu time spent up to now is 389.2 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 393.5 secs Computing kpt #: 215 total cpu time spent up to now is 397.2 secs Computing kpt #: 216 total cpu time spent up to now is 400.3 secs Computing kpt #: 217 total cpu time spent up to now is 403.3 secs Computing kpt #: 218 total cpu time spent up to now is 405.8 secs Computing kpt #: 219 total cpu time spent up to now is 407.7 secs Computing kpt #: 220 total cpu time spent up to now is 409.7 secs Computing kpt #: 221 total cpu time spent up to now is 412.1 secs Computing kpt #: 222 total cpu time spent up to now is 414.0 secs Computing kpt #: 223 total cpu time spent up to now is 415.9 secs Computing kpt #: 224 total cpu time spent up to now is 417.7 secs Computing kpt #: 225 total cpu time spent up to now is 419.5 secs Computing kpt #: 226 total cpu time spent up to now is 421.4 secs Computing kpt #: 227 total cpu time spent up to now is 423.2 secs Computing kpt #: 228 total cpu time spent up to now is 425.0 secs Computing kpt #: 229 total cpu time spent up to now is 426.8 secs Computing kpt #: 230 total cpu time spent up to now is 428.7 secs Computing kpt #: 231 total cpu time spent up to now is 430.2 secs Computing kpt #: 232 total cpu time spent up to now is 431.8 secs Computing kpt #: 233 total cpu time spent up to now is 433.4 secs Computing kpt #: 234 total cpu time spent up to now is 435.0 secs Computing kpt #: 235 total cpu time spent up to now is 436.8 secs Computing kpt #: 236 total cpu time spent up to now is 438.6 secs Computing kpt #: 237 total cpu time spent up to now is 440.2 secs Computing kpt #: 238 total cpu time spent up to now is 441.8 secs Computing kpt #: 239 total cpu time spent up to now is 443.3 secs Computing kpt #: 240 total cpu time spent up to now is 444.9 secs Computing kpt #: 241 total cpu time spent up to now is 446.5 secs Computing kpt #: 242 total cpu time spent up to now is 448.3 secs Computing kpt #: 243 total cpu time spent up to now is 449.8 secs Computing kpt #: 244 total cpu time spent up to now is 451.4 secs Computing kpt #: 245 total cpu time spent up to now is 453.3 secs Computing kpt #: 246 total cpu time spent up to now is 455.3 secs Computing kpt #: 247 total cpu time spent up to now is 457.2 secs Computing kpt #: 248 total cpu time spent up to now is 459.1 secs Computing kpt #: 249 total cpu time spent up to now is 460.9 secs Computing kpt #: 250 total cpu time spent up to now is 462.8 secs Computing kpt #: 251 total cpu time spent up to now is 464.6 secs Computing kpt #: 252 total cpu time spent up to now is 466.5 secs Computing kpt #: 253 total cpu time spent up to now is 468.4 secs ethr = 1.35E-08, avg # of iterations = 26.2 total cpu time spent up to now is 468.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12627 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.3060 -21.3060 -21.2115 -21.2115 -19.5365 -19.5365 -18.9735 -18.9735 -18.9735 -18.9735 -18.6534 -18.6534 -18.6227 -18.6227 -18.6227 -18.6227 -6.1851 -6.1851 -5.9337 -5.9337 -5.4051 -5.4051 -5.4051 -5.4051 -5.0797 -5.0797 -5.0797 -5.0797 -2.1817 -2.1817 -2.1817 -2.1817 -1.9110 -1.9110 -1.8117 -1.8117 -1.7352 -1.7352 -1.7352 -1.7352 -0.8862 -0.8862 -0.8389 -0.8389 -0.8389 -0.8389 0.2153 0.2153 0.2153 0.2153 0.2448 0.2448 0.4863 0.4863 0.5661 0.5661 0.5661 0.5661 1.0055 1.0055 1.0381 1.0381 1.0381 1.0381 5.5553 5.5553 5.5553 5.5553 5.6031 5.6031 8.6854 8.6854 9.1050 9.1050 9.1050 9.1050 11.0024 11.0024 11.0024 11.0024 k = 0.0135-0.0078 0.0110 ( 12627 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.3059 -21.3059 -21.2115 -21.2115 -19.5366 -19.5366 -18.9735 -18.9735 -18.9735 -18.9735 -18.6534 -18.6534 -18.6227 -18.6227 -18.6226 -18.6226 -6.1848 -6.1848 -5.9337 -5.9337 -5.4048 -5.4048 -5.4045 -5.4045 -5.0798 -5.0798 -5.0796 -5.0796 -2.1819 -2.1819 -2.1817 -2.1817 -1.9106 -1.9106 -1.8120 -1.8120 -1.7358 -1.7358 -1.7356 -1.7356 -0.8862 -0.8862 -0.8390 -0.8390 -0.8389 -0.8389 0.2152 0.2152 0.2153 0.2153 0.2446 0.2446 0.4860 0.4860 0.5656 0.5656 0.5660 0.5660 1.0053 1.0053 1.0378 1.0378 1.0380 1.0380 5.5552 5.5552 5.5554 5.5554 5.6031 5.6031 8.6881 8.6881 9.1043 9.1043 9.1051 9.1051 11.0034 11.0034 11.0045 11.0045 k = 0.0270-0.0156 0.0221 ( 12607 PWs) bands (ev): -67.7605 -67.7605 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.3056 -21.3056 -21.2116 -21.2116 -19.5369 -19.5369 -18.9737 -18.9737 -18.9735 -18.9735 -18.6534 -18.6534 -18.6227 -18.6227 -18.6226 -18.6226 -6.1838 -6.1838 -5.9337 -5.9337 -5.4039 -5.4039 -5.4027 -5.4027 -5.0800 -5.0800 -5.0793 -5.0793 -2.1822 -2.1822 -2.1816 -2.1816 -1.9093 -1.9093 -1.8128 -1.8128 -1.7374 -1.7374 -1.7365 -1.7365 -0.8862 -0.8862 -0.8394 -0.8394 -0.8391 -0.8391 0.2147 0.2147 0.2152 0.2152 0.2443 0.2443 0.4852 0.4852 0.5641 0.5641 0.5655 0.5655 1.0048 1.0048 1.0372 1.0372 1.0377 1.0377 5.5557 5.5557 5.5575 5.5575 5.6045 5.6045 8.6960 8.6960 9.1056 9.1056 9.1057 9.1057 11.0065 11.0065 11.0108 11.0108 k = 0.0405-0.0234 0.0331 ( 12591 PWs) bands (ev): -67.7600 -67.7600 -39.9758 -39.9758 -39.0181 -39.0181 -39.0179 -39.0179 -21.3051 -21.3051 -21.2117 -21.2117 -19.5374 -19.5374 -18.9738 -18.9738 -18.9735 -18.9735 -18.6534 -18.6534 -18.6228 -18.6228 -18.6225 -18.6225 -6.1821 -6.1821 -5.9337 -5.9337 -5.4025 -5.4025 -5.3998 -5.3998 -5.0803 -5.0803 -5.0788 -5.0788 -2.1832 -2.1832 -2.1815 -2.1815 -1.9073 -1.9073 -1.8141 -1.8141 -1.7402 -1.7402 -1.7381 -1.7381 -0.8863 -0.8863 -0.8400 -0.8400 -0.8394 -0.8394 0.2139 0.2139 0.2150 0.2150 0.2438 0.2438 0.4837 0.4837 0.5616 0.5616 0.5648 0.5648 1.0040 1.0040 1.0361 1.0361 1.0373 1.0373 5.5558 5.5558 5.5596 5.5596 5.6058 5.6058 8.7092 8.7092 9.1041 9.1041 9.1071 9.1071 11.0115 11.0115 11.0213 11.0213 k = 0.0541-0.0312 0.0441 ( 12575 PWs) bands (ev): -67.7595 -67.7595 -39.9757 -39.9757 -39.0180 -39.0180 -39.0178 -39.0178 -21.3045 -21.3045 -21.2118 -21.2118 -19.5380 -19.5380 -18.9741 -18.9741 -18.9734 -18.9734 -18.6534 -18.6534 -18.6228 -18.6228 -18.6224 -18.6224 -6.1798 -6.1798 -5.9337 -5.9337 -5.4004 -5.4004 -5.3957 -5.3957 -5.0807 -5.0807 -5.0781 -5.0781 -2.1850 -2.1850 -2.1813 -2.1813 -1.9045 -1.9045 -1.8161 -1.8161 -1.7439 -1.7439 -1.7405 -1.7405 -0.8865 -0.8865 -0.8408 -0.8408 -0.8398 -0.8398 0.2128 0.2128 0.2147 0.2147 0.2431 0.2431 0.4817 0.4817 0.5583 0.5583 0.5637 0.5637 1.0029 1.0029 1.0346 1.0346 1.0367 1.0367 5.5564 5.5564 5.5621 5.5621 5.6077 5.6077 8.7274 8.7274 9.0997 9.0997 9.1089 9.1089 11.0186 11.0186 11.0358 11.0358 k = 0.0676-0.0390 0.0552 ( 12583 PWs) bands (ev): -67.7598 -67.7598 -39.9758 -39.9758 -39.0180 -39.0180 -39.0179 -39.0179 -21.3036 -21.3036 -21.2121 -21.2121 -19.5389 -19.5389 -18.9745 -18.9745 -18.9734 -18.9734 -18.6534 -18.6534 -18.6229 -18.6229 -18.6223 -18.6223 -6.1769 -6.1769 -5.9337 -5.9337 -5.3979 -5.3979 -5.3905 -5.3905 -5.0813 -5.0813 -5.0771 -5.0771 -2.1876 -2.1876 -2.1812 -2.1812 -1.9009 -1.9009 -1.8189 -1.8189 -1.7488 -1.7488 -1.7437 -1.7437 -0.8867 -0.8867 -0.8419 -0.8419 -0.8403 -0.8403 0.2113 0.2113 0.2144 0.2144 0.2422 0.2422 0.4789 0.4789 0.5542 0.5542 0.5624 0.5624 1.0014 1.0014 1.0327 1.0327 1.0360 1.0360 5.5555 5.5555 5.5627 5.5627 5.6079 5.6079 8.7505 8.7505 9.0920 9.0920 9.1098 9.1098 11.0275 11.0275 11.0543 11.0543 k = 0.0811-0.0468 0.0662 ( 12583 PWs) bands (ev): -67.7598 -67.7598 -39.9758 -39.9758 -39.0180 -39.0180 -39.0179 -39.0179 -21.3026 -21.3026 -21.2123 -21.2123 -19.5399 -19.5399 -18.9749 -18.9749 -18.9733 -18.9733 -18.6534 -18.6534 -18.6230 -18.6230 -18.6222 -18.6222 -6.1734 -6.1734 -5.9337 -5.9337 -5.3947 -5.3947 -5.3842 -5.3842 -5.0819 -5.0819 -5.0760 -5.0760 -2.1905 -2.1905 -2.1807 -2.1807 -1.8965 -1.8965 -1.8225 -1.8225 -1.7547 -1.7547 -1.7477 -1.7477 -0.8870 -0.8870 -0.8432 -0.8432 -0.8409 -0.8409 0.2094 0.2094 0.2140 0.2140 0.2412 0.2412 0.4753 0.4753 0.5495 0.5495 0.5608 0.5608 0.9996 0.9996 1.0304 1.0304 1.0352 1.0352 5.5541 5.5541 5.5632 5.5632 5.6080 5.6080 8.7781 8.7781 9.0843 9.0843 9.1140 9.1140 11.0385 11.0385 11.0768 11.0768 k = 0.0946-0.0546 0.0772 ( 12599 PWs) bands (ev): -67.7603 -67.7603 -39.9758 -39.9758 -39.0181 -39.0181 -39.0180 -39.0180 -21.3014 -21.3014 -21.2126 -21.2126 -19.5411 -19.5411 -18.9754 -18.9754 -18.9733 -18.9733 -18.6534 -18.6534 -18.6232 -18.6232 -18.6220 -18.6220 -6.1692 -6.1692 -5.9338 -5.9338 -5.3911 -5.3911 -5.3768 -5.3768 -5.0827 -5.0827 -5.0748 -5.0748 -2.1939 -2.1939 -2.1806 -2.1806 -1.8915 -1.8915 -1.8269 -1.8269 -1.7614 -1.7614 -1.7524 -1.7524 -0.8873 -0.8873 -0.8447 -0.8447 -0.8417 -0.8417 0.2072 0.2072 0.2136 0.2136 0.2402 0.2402 0.4709 0.4709 0.5444 0.5444 0.5589 0.5589 0.9973 0.9973 1.0276 1.0276 1.0344 1.0344 5.5519 5.5519 5.5627 5.5627 5.6072 5.6072 8.8098 8.8098 9.0765 9.0765 9.1150 9.1150 11.0512 11.0512 11.1032 11.1032 k = 0.1081-0.0624 0.0883 ( 12603 PWs) bands (ev): -67.7604 -67.7604 -39.9758 -39.9758 -39.0181 -39.0181 -39.0180 -39.0180 -21.3000 -21.3000 -21.2130 -21.2130 -19.5425 -19.5425 -18.9759 -18.9759 -18.9732 -18.9732 -18.6534 -18.6534 -18.6233 -18.6233 -18.6218 -18.6218 -6.1646 -6.1646 -5.9338 -5.9338 -5.3870 -5.3870 -5.3683 -5.3683 -5.0835 -5.0835 -5.0733 -5.0733 -2.1977 -2.1977 -2.1806 -2.1806 -1.8857 -1.8857 -1.8320 -1.8320 -1.7687 -1.7687 -1.7576 -1.7576 -0.8877 -0.8877 -0.8464 -0.8464 -0.8425 -0.8425 0.2047 0.2047 0.2131 0.2131 0.2390 0.2390 0.4654 0.4654 0.5390 0.5390 0.5568 0.5568 0.9947 0.9947 1.0245 1.0245 1.0335 1.0335 5.5504 5.5504 5.5641 5.5641 5.6080 5.6080 8.8446 8.8446 9.0695 9.0695 9.1157 9.1157 11.0657 11.0657 11.1334 11.1334 k = 0.1216-0.0702 0.0993 ( 12599 PWs) bands (ev): -67.7602 -67.7602 -39.9758 -39.9758 -39.0181 -39.0181 -39.0180 -39.0180 -21.2985 -21.2985 -21.2134 -21.2134 -19.5440 -19.5440 -18.9766 -18.9766 -18.9731 -18.9731 -18.6534 -18.6534 -18.6235 -18.6235 -18.6216 -18.6216 -6.1594 -6.1594 -5.9338 -5.9338 -5.3824 -5.3824 -5.3588 -5.3588 -5.0845 -5.0845 -5.0717 -5.0717 -2.2018 -2.2018 -2.1805 -2.1805 -1.8791 -1.8791 -1.8381 -1.8381 -1.7764 -1.7764 -1.7633 -1.7633 -0.8881 -0.8881 -0.8484 -0.8484 -0.8434 -0.8434 0.2018 0.2018 0.2126 0.2126 0.2378 0.2378 0.4589 0.4589 0.5335 0.5335 0.5545 0.5545 0.9917 0.9917 1.0211 1.0211 1.0326 1.0326 5.5488 5.5488 5.5664 5.5664 5.6097 5.6097 8.8807 8.8807 9.0648 9.0648 9.1173 9.1173 11.0819 11.0819 11.1669 11.1669 k = 0.1351-0.0780 0.1103 ( 12623 PWs) bands (ev): -67.7610 -67.7610 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2968 -21.2968 -21.2138 -21.2138 -19.5457 -19.5457 -18.9772 -18.9772 -18.9731 -18.9731 -18.6534 -18.6534 -18.6237 -18.6237 -18.6213 -18.6213 -6.1538 -6.1538 -5.9339 -5.9339 -5.3774 -5.3774 -5.3484 -5.3484 -5.0855 -5.0855 -5.0699 -5.0699 -2.2063 -2.2063 -2.1806 -2.1806 -1.8720 -1.8720 -1.8456 -1.8456 -1.7847 -1.7847 -1.7698 -1.7698 -0.8887 -0.8887 -0.8506 -0.8506 -0.8443 -0.8443 0.1986 0.1986 0.2121 0.2121 0.2367 0.2367 0.4512 0.4512 0.5282 0.5282 0.5520 0.5520 0.9883 0.9883 1.0173 1.0173 1.0317 1.0317 5.5445 5.5445 5.5660 5.5660 5.6089 5.6089 8.9141 8.9141 9.0659 9.0659 9.1172 9.1172 11.0996 11.0996 11.2037 11.2037 k = 0.1486-0.0858 0.1214 ( 12639 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2950 -21.2950 -21.2143 -21.2143 -19.5475 -19.5475 -18.9780 -18.9780 -18.9730 -18.9730 -18.6534 -18.6534 -18.6239 -18.6239 -18.6211 -18.6211 -6.1477 -6.1477 -5.9339 -5.9339 -5.3719 -5.3719 -5.3370 -5.3370 -5.0866 -5.0866 -5.0681 -5.0681 -2.2118 -2.2118 -2.1806 -2.1806 -1.8642 -1.8642 -1.8541 -1.8541 -1.7928 -1.7928 -1.7767 -1.7767 -0.8893 -0.8893 -0.8530 -0.8530 -0.8454 -0.8454 0.1950 0.1950 0.2115 0.2115 0.2355 0.2355 0.4424 0.4424 0.5232 0.5232 0.5494 0.5494 0.9846 0.9846 1.0132 1.0132 1.0308 1.0308 5.5421 5.5421 5.5673 5.5673 5.6098 5.6098 8.9356 8.9356 9.0779 9.0779 9.1186 9.1186 11.1189 11.1189 11.2430 11.2430 k = 0.1622-0.0936 0.1324 ( 12635 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2931 -21.2931 -21.2148 -21.2148 -19.5494 -19.5494 -18.9787 -18.9787 -18.9729 -18.9729 -18.6534 -18.6534 -18.6241 -18.6241 -18.6208 -18.6208 -6.1412 -6.1412 -5.9339 -5.9339 -5.3661 -5.3661 -5.3247 -5.3247 -5.0877 -5.0877 -5.0660 -5.0660 -2.2173 -2.2173 -2.1805 -2.1805 -1.8639 -1.8639 -1.8559 -1.8559 -1.8006 -1.8006 -1.7837 -1.7837 -0.8899 -0.8899 -0.8556 -0.8556 -0.8465 -0.8465 0.1911 0.1911 0.2110 0.2110 0.2344 0.2344 0.4324 0.4324 0.5184 0.5184 0.5466 0.5466 0.9805 0.9805 1.0087 1.0087 1.0299 1.0299 5.5385 5.5385 5.5716 5.5716 5.6133 5.6133 8.9414 8.9414 9.1108 9.1108 9.1200 9.1200 11.1397 11.1397 11.2845 11.2845 k = 0.1757-0.1014 0.1434 ( 12627 PWs) bands (ev): -67.7612 -67.7612 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2911 -21.2911 -21.2153 -21.2153 -19.5514 -19.5514 -18.9796 -18.9796 -18.9728 -18.9728 -18.6534 -18.6534 -18.6244 -18.6244 -18.6205 -18.6205 -6.1344 -6.1344 -5.9340 -5.9340 -5.3600 -5.3600 -5.3116 -5.3116 -5.0890 -5.0890 -5.0639 -5.0639 -2.2230 -2.2230 -2.1804 -2.1804 -1.8750 -1.8750 -1.8470 -1.8470 -1.8081 -1.8081 -1.7912 -1.7912 -0.8907 -0.8907 -0.8583 -0.8583 -0.8476 -0.8476 0.1870 0.1870 0.2105 0.2105 0.2333 0.2333 0.4214 0.4214 0.5140 0.5140 0.5437 0.5437 0.9761 0.9761 1.0041 1.0041 1.0291 1.0291 5.5362 5.5362 5.5750 5.5750 5.6164 5.6164 8.9351 8.9351 9.1221 9.1221 9.1592 9.1592 11.1617 11.1617 11.3271 11.3271 k = 0.1892-0.1092 0.1545 ( 12635 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2889 -21.2889 -21.2158 -21.2158 -19.5535 -19.5535 -18.9804 -18.9804 -18.9727 -18.9727 -18.6535 -18.6535 -18.6246 -18.6246 -18.6201 -18.6201 -6.1273 -6.1273 -5.9340 -5.9340 -5.3536 -5.3536 -5.2977 -5.2977 -5.0902 -5.0902 -5.0617 -5.0617 -2.2291 -2.2291 -2.1803 -2.1803 -1.8876 -1.8876 -1.8377 -1.8377 -1.8155 -1.8155 -1.7993 -1.7993 -0.8916 -0.8916 -0.8613 -0.8613 -0.8487 -0.8487 0.1826 0.1826 0.2100 0.2100 0.2322 0.2322 0.4096 0.4096 0.5100 0.5100 0.5407 0.5407 0.9714 0.9714 0.9991 0.9991 1.0282 1.0282 5.5328 5.5328 5.5770 5.5770 5.6181 5.6181 8.9213 8.9213 9.1237 9.1237 9.2168 9.2168 11.1849 11.1849 11.3695 11.3695 k = 0.2027-0.1170 0.1655 ( 12635 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2867 -21.2867 -21.2164 -21.2164 -19.5557 -19.5557 -18.9813 -18.9813 -18.9726 -18.9726 -18.6535 -18.6535 -18.6249 -18.6249 -18.6198 -18.6198 -6.1199 -6.1199 -5.9341 -5.9341 -5.3469 -5.3469 -5.2832 -5.2832 -5.0915 -5.0915 -5.0595 -5.0595 -2.2353 -2.2353 -2.1800 -2.1800 -1.9012 -1.9012 -1.8279 -1.8279 -1.8226 -1.8226 -1.8076 -1.8076 -0.8926 -0.8926 -0.8644 -0.8644 -0.8499 -0.8499 0.1780 0.1780 0.2095 0.2095 0.2313 0.2313 0.3970 0.3970 0.5062 0.5062 0.5377 0.5377 0.9664 0.9664 0.9940 0.9940 1.0275 1.0275 5.5308 5.5308 5.5783 5.5783 5.6195 5.6195 8.9045 8.9045 9.1266 9.1266 9.2807 9.2807 11.2090 11.2090 11.4098 11.4098 k = 0.2162-0.1248 0.1765 ( 12631 PWs) bands (ev): -67.7613 -67.7613 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2845 -21.2845 -21.2169 -21.2169 -19.5579 -19.5579 -18.9822 -18.9822 -18.9725 -18.9725 -18.6536 -18.6536 -18.6251 -18.6251 -18.6194 -18.6194 -6.1124 -6.1124 -5.9341 -5.9341 -5.3400 -5.3400 -5.2681 -5.2681 -5.0928 -5.0928 -5.0572 -5.0572 -2.2416 -2.2416 -2.1798 -2.1798 -1.9159 -1.9159 -1.8292 -1.8292 -1.8189 -1.8189 -1.8151 -1.8151 -0.8937 -0.8937 -0.8676 -0.8676 -0.8511 -0.8511 0.1733 0.1733 0.2091 0.2091 0.2304 0.2304 0.3838 0.3838 0.5028 0.5028 0.5347 0.5347 0.9612 0.9612 0.9887 0.9887 1.0267 1.0267 5.5279 5.5279 5.5812 5.5812 5.6223 5.6223 8.8854 8.8854 9.1285 9.1285 9.3488 9.3488 11.2341 11.2341 11.4457 11.4457 k = 0.2297-0.1326 0.1876 ( 12639 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2822 -21.2822 -21.2175 -21.2175 -19.5603 -19.5603 -18.9831 -18.9831 -18.9723 -18.9723 -18.6536 -18.6536 -18.6254 -18.6254 -18.6190 -18.6190 -6.1047 -6.1047 -5.9342 -5.9342 -5.3330 -5.3330 -5.2525 -5.2525 -5.0941 -5.0941 -5.0548 -5.0548 -2.2481 -2.2481 -2.1796 -2.1796 -1.9316 -1.9316 -1.8357 -1.8357 -1.8253 -1.8253 -1.8071 -1.8071 -0.8948 -0.8948 -0.8709 -0.8709 -0.8523 -0.8523 0.1684 0.1684 0.2087 0.2087 0.2295 0.2295 0.3703 0.3703 0.4996 0.4996 0.5316 0.5316 0.9558 0.9558 0.9832 0.9832 1.0260 1.0260 5.5236 5.5236 5.5828 5.5828 5.6239 5.6239 8.8645 8.8645 9.1308 9.1308 9.4204 9.4204 11.2599 11.2599 11.4749 11.4749 k = 0.2432-0.1404 0.1986 ( 12623 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0183 -39.0183 -39.0181 -39.0181 -21.2798 -21.2798 -21.2181 -21.2181 -19.5626 -19.5626 -18.9840 -18.9840 -18.9722 -18.9722 -18.6537 -18.6537 -18.6256 -18.6256 -18.6186 -18.6186 -6.0969 -6.0969 -5.9343 -5.9343 -5.3258 -5.3258 -5.2364 -5.2364 -5.0955 -5.0955 -5.0525 -5.0525 -2.2548 -2.2548 -2.1793 -2.1793 -1.9478 -1.9478 -1.8417 -1.8417 -1.8338 -1.8338 -1.7966 -1.7966 -0.8961 -0.8961 -0.8743 -0.8743 -0.8535 -0.8535 0.1635 0.1635 0.2083 0.2083 0.2288 0.2288 0.3565 0.3565 0.4966 0.4966 0.5286 0.5286 0.9503 0.9503 0.9777 0.9777 1.0253 1.0253 5.5214 5.5214 5.5875 5.5875 5.6284 5.6284 8.8418 8.8418 9.1340 9.1340 9.4946 9.4946 11.2861 11.2861 11.4961 11.4961 k = 0.2568-0.1482 0.2096 ( 12619 PWs) bands (ev): -67.7610 -67.7610 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2774 -21.2774 -21.2187 -21.2187 -19.5649 -19.5649 -18.9849 -18.9849 -18.9721 -18.9721 -18.6537 -18.6537 -18.6259 -18.6259 -18.6182 -18.6182 -6.0892 -6.0892 -5.9344 -5.9344 -5.3186 -5.3186 -5.2201 -5.2201 -5.0968 -5.0968 -5.0501 -5.0501 -2.2613 -2.2613 -2.1792 -2.1792 -1.9647 -1.9647 -1.8476 -1.8476 -1.8426 -1.8426 -1.7859 -1.7859 -0.8975 -0.8975 -0.8778 -0.8778 -0.8547 -0.8547 0.1585 0.1585 0.2080 0.2080 0.2281 0.2281 0.3426 0.3426 0.4938 0.4938 0.5257 0.5257 0.9447 0.9447 0.9721 0.9721 1.0246 1.0246 5.5177 5.5177 5.5903 5.5903 5.6312 5.6312 8.8203 8.8203 9.1359 9.1359 9.5712 9.5712 11.3128 11.3128 11.5102 11.5102 k = 0.2703-0.1560 0.2207 ( 12635 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2751 -21.2751 -21.2193 -21.2193 -19.5673 -19.5673 -18.9858 -18.9858 -18.9720 -18.9720 -18.6538 -18.6538 -18.6262 -18.6262 -18.6177 -18.6177 -6.0814 -6.0814 -5.9344 -5.9344 -5.3113 -5.3113 -5.2036 -5.2036 -5.0981 -5.0981 -5.0478 -5.0478 -2.2679 -2.2679 -2.1794 -2.1794 -1.9820 -1.9820 -1.8534 -1.8534 -1.8516 -1.8516 -1.7752 -1.7752 -0.8990 -0.8990 -0.8814 -0.8814 -0.8559 -0.8559 0.1535 0.1535 0.2078 0.2078 0.2275 0.2275 0.3287 0.3287 0.4912 0.4912 0.5228 0.5228 0.9391 0.9391 0.9664 0.9664 1.0240 1.0240 5.5130 5.5130 5.5919 5.5919 5.6329 5.6329 8.7972 8.7972 9.1352 9.1352 9.6494 9.6494 11.3395 11.3395 11.5182 11.5182 k = 0.2838-0.1638 0.2317 ( 12643 PWs) bands (ev): -67.7618 -67.7618 -39.9760 -39.9760 -39.0184 -39.0184 -39.0182 -39.0182 -21.2727 -21.2727 -21.2199 -21.2199 -19.5697 -19.5697 -18.9867 -18.9867 -18.9719 -18.9719 -18.6539 -18.6539 -18.6264 -18.6264 -18.6173 -18.6173 -6.0738 -6.0738 -5.9345 -5.9345 -5.3041 -5.3041 -5.1871 -5.1871 -5.0994 -5.0994 -5.0455 -5.0455 -2.2747 -2.2747 -2.1793 -2.1793 -1.9993 -1.9993 -1.8604 -1.8604 -1.8590 -1.8590 -1.7644 -1.7644 -0.9005 -0.9005 -0.8850 -0.8850 -0.8570 -0.8570 0.1486 0.1486 0.2076 0.2076 0.2269 0.2269 0.3150 0.3150 0.4887 0.4887 0.5200 0.5200 0.9334 0.9334 0.9607 0.9607 1.0234 1.0234 5.5092 5.5092 5.5938 5.5938 5.6349 5.6349 8.7727 8.7727 9.1368 9.1368 9.7287 9.7287 11.3662 11.3662 11.5219 11.5219 k = 0.2973-0.1716 0.2427 ( 12627 PWs) bands (ev): -67.7613 -67.7613 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2704 -21.2704 -21.2204 -21.2204 -19.5720 -19.5720 -18.9876 -18.9876 -18.9718 -18.9718 -18.6540 -18.6540 -18.6267 -18.6267 -18.6169 -18.6169 -6.0663 -6.0663 -5.9346 -5.9346 -5.2970 -5.2970 -5.1705 -5.1705 -5.1007 -5.1007 -5.0432 -5.0432 -2.2809 -2.2809 -2.1792 -2.1792 -2.0166 -2.0166 -1.8689 -1.8689 -1.8642 -1.8642 -1.7538 -1.7538 -0.9021 -0.9021 -0.8885 -0.8885 -0.8581 -0.8581 0.1438 0.1438 0.2074 0.2074 0.2264 0.2264 0.3016 0.3016 0.4865 0.4865 0.5174 0.5174 0.9278 0.9278 0.9551 0.9551 1.0228 1.0228 5.5068 5.5068 5.5976 5.5976 5.6388 5.6388 8.7512 8.7512 9.1386 9.1386 9.8089 9.8089 11.3928 11.3928 11.5231 11.5231 k = 0.3108-0.1794 0.2538 ( 12635 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2682 -21.2682 -21.2210 -21.2210 -19.5742 -19.5742 -18.9885 -18.9885 -18.9717 -18.9717 -18.6541 -18.6541 -18.6269 -18.6269 -18.6165 -18.6165 -6.0589 -6.0589 -5.9347 -5.9347 -5.2900 -5.2900 -5.1542 -5.1542 -5.1020 -5.1020 -5.0410 -5.0410 -2.2876 -2.2876 -2.1791 -2.1791 -2.0338 -2.0338 -1.8774 -1.8774 -1.8693 -1.8693 -1.7433 -1.7433 -0.9038 -0.9038 -0.8920 -0.8920 -0.8592 -0.8592 0.1390 0.1390 0.2073 0.2073 0.2260 0.2260 0.2886 0.2886 0.4844 0.4844 0.5149 0.5149 0.9223 0.9223 0.9496 0.9496 1.0222 1.0222 5.5032 5.5032 5.5998 5.5998 5.6411 5.6411 8.7263 8.7263 9.1402 9.1402 9.8891 9.8891 11.4188 11.4188 11.5219 11.5219 k = 0.3243-0.1872 0.2648 ( 12623 PWs) bands (ev): -67.7612 -67.7612 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2660 -21.2660 -21.2215 -21.2215 -19.5764 -19.5764 -18.9893 -18.9893 -18.9716 -18.9716 -18.6542 -18.6542 -18.6272 -18.6272 -18.6161 -18.6161 -6.0519 -6.0519 -5.9348 -5.9348 -5.2832 -5.2832 -5.1382 -5.1382 -5.1033 -5.1033 -5.0389 -5.0389 -2.2934 -2.2934 -2.1790 -2.1790 -2.0508 -2.0508 -1.8854 -1.8854 -1.8740 -1.8740 -1.7331 -1.7331 -0.9054 -0.9054 -0.8955 -0.8955 -0.8603 -0.8603 0.1344 0.1344 0.2072 0.2072 0.2257 0.2257 0.2761 0.2761 0.4824 0.4824 0.5125 0.5125 0.9169 0.9169 0.9442 0.9442 1.0217 1.0217 5.4998 5.4998 5.6036 5.6036 5.6449 5.6449 8.7052 8.7052 9.1418 9.1418 9.9691 9.9691 11.4443 11.4443 11.5199 11.5199 k = 0.3378-0.1951 0.2758 ( 12623 PWs) bands (ev): -67.7613 -67.7613 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2639 -21.2639 -21.2220 -21.2220 -19.5785 -19.5785 -18.9901 -18.9901 -18.9715 -18.9715 -18.6543 -18.6543 -18.6274 -18.6274 -18.6157 -18.6157 -6.0451 -6.0451 -5.9349 -5.9349 -5.2766 -5.2766 -5.1226 -5.1226 -5.1045 -5.1045 -5.0369 -5.0369 -2.2994 -2.2994 -2.1790 -2.1790 -2.0672 -2.0672 -1.8933 -1.8933 -1.8786 -1.8786 -1.7233 -1.7233 -0.9071 -0.9071 -0.8989 -0.8989 -0.8613 -0.8613 0.1301 0.1301 0.2071 0.2071 0.2254 0.2254 0.2642 0.2642 0.4807 0.4807 0.5103 0.5103 0.9116 0.9116 0.9390 0.9390 1.0212 1.0212 5.4964 5.4964 5.6061 5.6061 5.6475 5.6475 8.6832 8.6832 9.1433 9.1433 10.0482 10.0482 11.4689 11.4689 11.5166 11.5166 k = 0.3514-0.2029 0.2869 ( 12615 PWs) bands (ev): -67.7610 -67.7610 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2619 -21.2619 -21.2225 -21.2225 -19.5805 -19.5805 -18.9909 -18.9909 -18.9714 -18.9714 -18.6544 -18.6544 -18.6276 -18.6276 -18.6153 -18.6153 -6.0387 -6.0387 -5.9350 -5.9350 -5.2703 -5.2703 -5.1077 -5.1077 -5.1056 -5.1056 -5.0349 -5.0349 -2.3052 -2.3052 -2.1789 -2.1789 -2.0830 -2.0830 -1.9006 -1.9006 -1.8828 -1.8828 -1.7139 -1.7139 -0.9087 -0.9087 -0.9021 -0.9021 -0.8623 -0.8623 0.1259 0.1259 0.2069 0.2069 0.2251 0.2251 0.2531 0.2531 0.4791 0.4791 0.5083 0.5083 0.9066 0.9066 0.9340 0.9340 1.0207 1.0207 5.4940 5.4940 5.6096 5.6096 5.6512 5.6512 8.6613 8.6613 9.1452 9.1452 10.1256 10.1256 11.4924 11.4924 11.5125 11.5125 k = 0.3649-0.2107 0.2979 ( 12615 PWs) bands (ev): -67.7610 -67.7610 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2600 -21.2600 -21.2230 -21.2230 -19.5824 -19.5824 -18.9916 -18.9916 -18.9713 -18.9713 -18.6545 -18.6545 -18.6278 -18.6278 -18.6150 -18.6150 -6.0326 -6.0326 -5.9351 -5.9351 -5.2643 -5.2643 -5.1068 -5.1068 -5.0934 -5.0934 -5.0331 -5.0331 -2.3104 -2.3104 -2.1787 -2.1787 -2.0980 -2.0980 -1.9076 -1.9076 -1.8869 -1.8869 -1.7050 -1.7050 -0.9103 -0.9103 -0.9051 -0.9051 -0.8632 -0.8632 0.1220 0.1220 0.2067 0.2067 0.2249 0.2249 0.2428 0.2428 0.4776 0.4776 0.5065 0.5065 0.9019 0.9019 0.9293 0.9293 1.0203 1.0203 5.4909 5.4909 5.6113 5.6113 5.6530 5.6530 8.6416 8.6416 9.1475 9.1475 10.2010 10.2010 11.5079 11.5079 11.5147 11.5147 k = 0.3784-0.2185 0.3089 ( 12611 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2583 -21.2583 -21.2234 -21.2234 -19.5841 -19.5841 -18.9922 -18.9922 -18.9712 -18.9712 -18.6546 -18.6546 -18.6280 -18.6280 -18.6146 -18.6146 -6.0270 -6.0270 -5.9352 -5.9352 -5.2587 -5.2587 -5.1078 -5.1078 -5.0801 -5.0801 -5.0314 -5.0314 -2.3151 -2.3151 -2.1788 -2.1788 -2.1120 -2.1120 -1.9142 -1.9142 -1.8906 -1.8906 -1.6966 -1.6966 -0.9118 -0.9118 -0.9080 -0.9080 -0.8641 -0.8641 0.1183 0.1183 0.2063 0.2063 0.2247 0.2247 0.2336 0.2336 0.4763 0.4763 0.5048 0.5048 0.8974 0.8974 0.9248 0.9248 1.0199 1.0199 5.4881 5.4881 5.6134 5.6134 5.6552 5.6552 8.6243 8.6243 9.1487 9.1487 10.2734 10.2734 11.5029 11.5029 11.5355 11.5355 k = 0.3919-0.2263 0.3200 ( 12611 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2567 -21.2567 -21.2238 -21.2238 -19.5857 -19.5857 -18.9928 -18.9928 -18.9712 -18.9712 -18.6546 -18.6546 -18.6282 -18.6282 -18.6143 -18.6143 -6.0219 -6.0219 -5.9353 -5.9353 -5.2535 -5.2535 -5.1088 -5.1088 -5.0679 -5.0679 -5.0297 -5.0297 -2.3196 -2.3196 -2.1791 -2.1791 -2.1250 -2.1250 -1.9201 -1.9201 -1.8939 -1.8939 -1.6890 -1.6890 -0.9132 -0.9132 -0.9107 -0.9107 -0.8649 -0.8649 0.1150 0.1150 0.2054 0.2054 0.2246 0.2246 0.2256 0.2256 0.4752 0.4752 0.5034 0.5034 0.8933 0.8933 0.9208 0.9208 1.0196 1.0196 5.4845 5.4845 5.6160 5.6160 5.6579 5.6579 8.6072 8.6072 9.1497 9.1497 10.3422 10.3422 11.4973 11.4973 11.5547 11.5547 k = 0.4054-0.2341 0.3310 ( 12619 PWs) bands (ev): -67.7612 -67.7612 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2552 -21.2552 -21.2242 -21.2242 -19.5872 -19.5872 -18.9934 -18.9934 -18.9711 -18.9711 -18.6547 -18.6547 -18.6283 -18.6283 -18.6140 -18.6140 -6.0173 -6.0173 -5.9354 -5.9354 -5.2488 -5.2488 -5.1098 -5.1098 -5.0568 -5.0568 -5.0282 -5.0282 -2.3233 -2.3233 -2.1796 -2.1796 -2.1367 -2.1367 -1.9256 -1.9256 -1.8971 -1.8971 -1.6821 -1.6821 -0.9146 -0.9146 -0.9131 -0.9131 -0.8656 -0.8656 0.1120 0.1120 0.2037 0.2037 0.2195 0.2195 0.2245 0.2245 0.4741 0.4741 0.5021 0.5021 0.8896 0.8896 0.9171 0.9171 1.0193 1.0193 5.4809 5.4809 5.6162 5.6162 5.6582 5.6582 8.5940 8.5940 9.1496 9.1496 10.4064 10.4064 11.4917 11.4917 11.5721 11.5721 k = 0.4189-0.2419 0.3420 ( 12619 PWs) bands (ev): -67.7612 -67.7612 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2539 -21.2539 -21.2245 -21.2245 -19.5885 -19.5885 -18.9939 -18.9939 -18.9710 -18.9710 -18.6548 -18.6548 -18.6285 -18.6285 -18.6138 -18.6138 -6.0132 -6.0132 -5.9354 -5.9354 -5.2446 -5.2446 -5.1106 -5.1106 -5.0472 -5.0472 -5.0265 -5.0265 -2.3272 -2.3272 -2.1800 -2.1800 -2.1467 -2.1467 -1.9303 -1.9303 -1.8997 -1.8997 -1.6759 -1.6759 -0.9158 -0.9158 -0.9152 -0.9152 -0.8663 -0.8663 0.1094 0.1094 0.2008 0.2008 0.2155 0.2155 0.2244 0.2244 0.4733 0.4733 0.5010 0.5010 0.8863 0.8863 0.9138 0.9138 1.0190 1.0190 5.4791 5.4791 5.6183 5.6183 5.6604 5.6604 8.5783 8.5783 9.1515 9.1515 10.4651 10.4651 11.4851 11.4851 11.5876 11.5876 k = 0.4324-0.2497 0.3531 ( 12623 PWs) bands (ev): -67.7613 -67.7613 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2528 -21.2528 -21.2247 -21.2247 -19.5896 -19.5896 -18.9943 -18.9943 -18.9710 -18.9710 -18.6548 -18.6548 -18.6286 -18.6286 -18.6136 -18.6136 -6.0097 -6.0097 -5.9355 -5.9355 -5.2410 -5.2410 -5.1114 -5.1114 -5.0393 -5.0393 -5.0247 -5.0247 -2.3301 -2.3301 -2.1809 -2.1809 -2.1550 -2.1550 -1.9345 -1.9345 -1.9021 -1.9021 -1.6707 -1.6707 -0.9171 -0.9171 -0.9168 -0.9168 -0.8669 -0.8669 0.1071 0.1071 0.1969 0.1969 0.2135 0.2135 0.2244 0.2244 0.4726 0.4726 0.5001 0.5001 0.8834 0.8834 0.9109 0.9109 1.0187 1.0187 5.4768 5.4768 5.6187 5.6187 5.6609 5.6609 8.5675 8.5675 9.1521 9.1521 10.5174 10.5174 11.4791 11.4791 11.6009 11.6009 k = 0.4459-0.2575 0.3641 ( 12615 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2519 -21.2519 -21.2249 -21.2249 -19.5905 -19.5905 -18.9946 -18.9946 -18.9709 -18.9709 -18.6549 -18.6549 -18.6287 -18.6287 -18.6134 -18.6134 -6.0069 -6.0069 -5.9356 -5.9356 -5.2379 -5.2379 -5.1120 -5.1120 -5.0336 -5.0336 -5.0223 -5.0223 -2.3327 -2.3327 -2.1823 -2.1823 -2.1613 -2.1613 -1.9378 -1.9378 -1.9039 -1.9039 -1.6662 -1.6662 -0.9186 -0.9186 -0.9177 -0.9177 -0.8674 -0.8674 0.1053 0.1053 0.1930 0.1930 0.2126 0.2126 0.2243 0.2243 0.4720 0.4720 0.4993 0.4993 0.8810 0.8810 0.9085 0.9085 1.0185 1.0185 5.4757 5.4757 5.6208 5.6208 5.6631 5.6631 8.5575 8.5575 9.1534 9.1534 10.5622 10.5622 11.4732 11.4732 11.6120 11.6120 k = 0.4595-0.2653 0.3751 ( 12615 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2512 -21.2512 -21.2251 -21.2251 -19.5912 -19.5912 -18.9949 -18.9949 -18.9709 -18.9709 -18.6549 -18.6549 -18.6288 -18.6288 -18.6133 -18.6133 -6.0046 -6.0046 -5.9356 -5.9356 -5.2355 -5.2355 -5.1125 -5.1125 -5.0302 -5.0302 -5.0193 -5.0193 -2.3348 -2.3348 -2.1840 -2.1840 -2.1653 -2.1653 -1.9406 -1.9406 -1.9054 -1.9054 -1.6627 -1.6627 -0.9199 -0.9199 -0.9184 -0.9184 -0.8678 -0.8678 0.1038 0.1038 0.1897 0.1897 0.2121 0.2121 0.2243 0.2243 0.4715 0.4715 0.4987 0.4987 0.8792 0.8792 0.9067 0.9067 1.0184 1.0184 5.4755 5.4755 5.6209 5.6209 5.6633 5.6633 8.5492 8.5492 9.1548 9.1548 10.5985 10.5985 11.4678 11.4678 11.6207 11.6207 k = 0.4730-0.2731 0.3862 ( 12630 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2507 -21.2507 -21.2252 -21.2252 -19.5917 -19.5917 -18.9951 -18.9951 -18.9709 -18.9709 -18.6550 -18.6550 -18.6288 -18.6288 -18.6132 -18.6132 -6.0029 -6.0029 -5.9357 -5.9357 -5.2338 -5.2338 -5.1129 -5.1129 -5.0284 -5.0284 -5.0164 -5.0164 -2.3364 -2.3364 -2.1862 -2.1862 -2.1681 -2.1681 -1.9425 -1.9425 -1.9065 -1.9065 -1.6603 -1.6603 -0.9208 -0.9208 -0.9189 -0.9189 -0.8681 -0.8681 0.1027 0.1027 0.1872 0.1872 0.2119 0.2119 0.2243 0.2243 0.4712 0.4712 0.4983 0.4983 0.8778 0.8778 0.9053 0.9053 1.0183 1.0183 5.4733 5.4733 5.6211 5.6211 5.6635 5.6635 8.5430 8.5430 9.1525 9.1525 10.6252 10.6252 11.4635 11.4635 11.6270 11.6270 k = 0.4865-0.2809 0.3972 ( 12630 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2504 -21.2504 -21.2253 -21.2253 -19.5920 -19.5920 -18.9952 -18.9952 -18.9709 -18.9709 -18.6550 -18.6550 -18.6289 -18.6289 -18.6131 -18.6131 -6.0020 -6.0020 -5.9357 -5.9357 -5.2328 -5.2328 -5.1131 -5.1131 -5.0276 -5.0276 -5.0145 -5.0145 -2.3372 -2.3372 -2.1875 -2.1875 -2.1693 -2.1693 -1.9437 -1.9437 -1.9072 -1.9072 -1.6588 -1.6588 -0.9213 -0.9213 -0.9192 -0.9192 -0.8683 -0.8683 0.1021 0.1021 0.1857 0.1857 0.2118 0.2118 0.2242 0.2242 0.4710 0.4710 0.4981 0.4981 0.8770 0.8770 0.9045 0.9045 1.0182 1.0182 5.4734 5.4734 5.6210 5.6210 5.6635 5.6635 8.5400 8.5400 9.1526 9.1526 10.6417 10.6417 11.4609 11.4609 11.6308 11.6308 k = 0.5000-0.2887 0.4082 ( 12638 PWs) bands (ev): -67.7618 -67.7618 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2503 -21.2503 -21.2253 -21.2253 -19.5922 -19.5922 -18.9952 -18.9952 -18.9709 -18.9709 -18.6550 -18.6550 -18.6289 -18.6289 -18.6131 -18.6131 -6.0016 -6.0016 -5.9357 -5.9357 -5.2324 -5.2324 -5.1132 -5.1132 -5.0274 -5.0274 -5.0138 -5.0138 -2.3375 -2.3375 -2.1881 -2.1881 -2.1697 -2.1697 -1.9442 -1.9442 -1.9075 -1.9075 -1.6583 -1.6583 -0.9215 -0.9215 -0.9193 -0.9193 -0.8683 -0.8683 0.1019 0.1019 0.1852 0.1852 0.2117 0.2117 0.2242 0.2242 0.4710 0.4710 0.4980 0.4980 0.8767 0.8767 0.9042 0.9042 1.0182 1.0182 5.4726 5.4726 5.6204 5.6204 5.6628 5.6628 8.5386 8.5386 9.1525 9.1525 10.6472 10.6472 11.4599 11.4599 11.6321 11.6321 k = 0.5000-0.2887 0.4082 ( 12638 PWs) bands (ev): -67.7618 -67.7618 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2503 -21.2503 -21.2253 -21.2253 -19.5922 -19.5922 -18.9952 -18.9952 -18.9709 -18.9709 -18.6550 -18.6550 -18.6289 -18.6289 -18.6131 -18.6131 -6.0016 -6.0016 -5.9357 -5.9357 -5.2324 -5.2324 -5.1132 -5.1132 -5.0274 -5.0274 -5.0138 -5.0138 -2.3375 -2.3375 -2.1881 -2.1881 -2.1697 -2.1697 -1.9442 -1.9442 -1.9075 -1.9075 -1.6583 -1.6583 -0.9215 -0.9215 -0.9193 -0.9193 -0.8683 -0.8683 0.1019 0.1019 0.1852 0.1852 0.2117 0.2117 0.2242 0.2242 0.4710 0.4710 0.4980 0.4980 0.8767 0.8767 0.9042 0.9042 1.0182 1.0182 5.4726 5.4726 5.6204 5.6204 5.6628 5.6628 8.5386 8.5386 9.1525 9.1525 10.6472 10.6472 11.4599 11.4599 11.6321 11.6321 k = 0.5000-0.2735 0.4190 ( 12646 PWs) bands (ev): -67.7620 -67.7620 -39.9761 -39.9761 -39.0184 -39.0184 -39.0182 -39.0182 -21.2502 -21.2502 -21.2254 -21.2254 -19.5922 -19.5922 -18.9952 -18.9952 -18.9709 -18.9709 -18.6550 -18.6550 -18.6289 -18.6289 -18.6131 -18.6131 -6.0015 -6.0015 -5.9358 -5.9358 -5.2322 -5.2322 -5.1133 -5.1133 -5.0276 -5.0276 -5.0137 -5.0137 -2.3375 -2.3375 -2.1880 -2.1880 -2.1698 -2.1698 -1.9444 -1.9444 -1.9078 -1.9078 -1.6583 -1.6583 -0.9214 -0.9214 -0.9192 -0.9192 -0.8684 -0.8684 0.1021 0.1021 0.1857 0.1857 0.2117 0.2117 0.2241 0.2241 0.4707 0.4707 0.4978 0.4978 0.8768 0.8768 0.9043 0.9043 1.0180 1.0180 5.4720 5.4720 5.6199 5.6199 5.6624 5.6624 8.5384 8.5384 9.1517 9.1517 10.6494 10.6494 11.4594 11.4594 11.6337 11.6337 k = 0.5000-0.2583 0.4297 ( 12630 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2501 -21.2501 -21.2255 -21.2255 -19.5921 -19.5921 -18.9951 -18.9951 -18.9710 -18.9710 -18.6549 -18.6549 -18.6288 -18.6288 -18.6132 -18.6132 -6.0012 -6.0012 -5.9360 -5.9360 -5.2316 -5.2316 -5.1137 -5.1137 -5.0283 -5.0283 -5.0134 -5.0134 -2.3369 -2.3369 -2.1876 -2.1876 -2.1695 -2.1695 -1.9450 -1.9450 -1.9084 -1.9084 -1.6583 -1.6583 -0.9210 -0.9210 -0.9189 -0.9189 -0.8685 -0.8685 0.1026 0.1026 0.1870 0.1870 0.2114 0.2114 0.2237 0.2237 0.4700 0.4700 0.4971 0.4971 0.8772 0.8772 0.9047 0.9047 1.0174 1.0174 5.4739 5.4739 5.6209 5.6209 5.6633 5.6633 8.5417 8.5417 9.1508 9.1508 10.6558 10.6558 11.4590 11.4590 11.6385 11.6385 k = 0.5000-0.2431 0.4405 ( 12634 PWs) bands (ev): -67.7617 -67.7617 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2499 -21.2499 -21.2257 -21.2257 -19.5921 -19.5921 -18.9950 -18.9950 -18.9712 -18.9712 -18.6549 -18.6549 -18.6287 -18.6287 -18.6133 -18.6133 -6.0006 -6.0006 -5.9364 -5.9364 -5.2305 -5.2305 -5.1143 -5.1143 -5.0294 -5.0294 -5.0131 -5.0131 -2.3361 -2.3361 -2.1873 -2.1873 -2.1691 -2.1691 -1.9463 -1.9463 -1.9096 -1.9096 -1.6584 -1.6584 -0.9204 -0.9204 -0.9184 -0.9184 -0.8687 -0.8687 0.1035 0.1035 0.1893 0.1893 0.2112 0.2112 0.2231 0.2231 0.4686 0.4686 0.4960 0.4960 0.8777 0.8777 0.9052 0.9052 1.0165 1.0165 5.4749 5.4749 5.6201 5.6201 5.6626 5.6626 8.5452 8.5452 9.1475 9.1475 10.6664 10.6664 11.4577 11.4577 11.6465 11.6465 k = 0.5000-0.2279 0.4512 ( 12642 PWs) bands (ev): -67.7619 -67.7619 -39.9760 -39.9760 -39.0184 -39.0184 -39.0182 -39.0182 -21.2496 -21.2496 -21.2260 -21.2260 -19.5921 -19.5921 -18.9948 -18.9948 -18.9714 -18.9714 -18.6548 -18.6548 -18.6286 -18.6286 -18.6135 -18.6135 -5.9999 -5.9999 -5.9370 -5.9370 -5.2290 -5.2290 -5.1151 -5.1151 -5.0309 -5.0309 -5.0127 -5.0127 -2.3349 -2.3349 -2.1871 -2.1871 -2.1682 -2.1682 -1.9482 -1.9482 -1.9112 -1.9112 -1.6585 -1.6585 -0.9196 -0.9196 -0.9177 -0.9177 -0.8691 -0.8691 0.1047 0.1047 0.1922 0.1922 0.2109 0.2109 0.2223 0.2223 0.4666 0.4666 0.4946 0.4946 0.8784 0.8784 0.9061 0.9061 1.0151 1.0151 5.4759 5.4759 5.6184 5.6184 5.6612 5.6612 8.5504 8.5504 9.1437 9.1437 10.6812 10.6812 11.4560 11.4560 11.6578 11.6578 k = 0.5000-0.2127 0.4620 ( 12642 PWs) bands (ev): -67.7619 -67.7619 -39.9760 -39.9760 -39.0184 -39.0184 -39.0182 -39.0182 -21.2492 -21.2492 -21.2264 -21.2264 -19.5921 -19.5921 -18.9946 -18.9946 -18.9717 -18.9717 -18.6547 -18.6547 -18.6284 -18.6284 -18.6137 -18.6137 -5.9989 -5.9989 -5.9377 -5.9377 -5.2271 -5.2271 -5.1162 -5.1162 -5.0325 -5.0325 -5.0123 -5.0123 -2.3334 -2.3334 -2.1873 -2.1873 -2.1664 -2.1664 -1.9509 -1.9509 -1.9128 -1.9128 -1.6586 -1.6586 -0.9186 -0.9186 -0.9168 -0.9168 -0.8695 -0.8695 0.1063 0.1063 0.1952 0.1952 0.2112 0.2112 0.2214 0.2214 0.4639 0.4639 0.4930 0.4930 0.8791 0.8791 0.9072 0.9072 1.0134 1.0134 5.4777 5.4777 5.6168 5.6168 5.6601 5.6601 8.5570 8.5570 9.1402 9.1402 10.7001 10.7001 11.4539 11.4539 11.6723 11.6723 k = 0.5000-0.1975 0.4727 ( 12638 PWs) bands (ev): -67.7618 -67.7618 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2488 -21.2488 -21.2269 -21.2269 -19.5921 -19.5921 -18.9943 -18.9943 -18.9720 -18.9720 -18.6546 -18.6546 -18.6282 -18.6282 -18.6140 -18.6140 -5.9978 -5.9978 -5.9386 -5.9386 -5.2248 -5.2248 -5.1176 -5.1176 -5.0344 -5.0344 -5.0119 -5.0119 -2.3316 -2.3316 -2.1882 -2.1882 -2.1635 -2.1635 -1.9544 -1.9544 -1.9144 -1.9144 -1.6587 -1.6587 -0.9174 -0.9174 -0.9158 -0.9158 -0.8701 -0.8701 0.1082 0.1082 0.1976 0.1976 0.2127 0.2127 0.2204 0.2204 0.4603 0.4603 0.4913 0.4913 0.8800 0.8800 0.9086 0.9086 1.0114 1.0114 5.4816 5.4816 5.6149 5.6149 5.6590 5.6590 8.5649 8.5649 9.1352 9.1352 10.7229 10.7229 11.4515 11.4515 11.6902 11.6902 k = 0.5000-0.1823 0.4835 ( 12626 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2483 -21.2483 -21.2274 -21.2274 -19.5921 -19.5921 -18.9940 -18.9940 -18.9724 -18.9724 -18.6544 -18.6544 -18.6279 -18.6279 -18.6143 -18.6143 -5.9965 -5.9965 -5.9396 -5.9396 -5.2222 -5.2222 -5.1193 -5.1193 -5.0364 -5.0364 -5.0115 -5.0115 -2.3295 -2.3295 -2.1898 -2.1898 -2.1597 -2.1597 -1.9586 -1.9586 -1.9158 -1.9158 -1.6588 -1.6588 -0.9161 -0.9161 -0.9146 -0.9146 -0.8707 -0.8707 0.1105 0.1105 0.1983 0.1983 0.2159 0.2159 0.2198 0.2198 0.4558 0.4558 0.4898 0.4898 0.8808 0.8808 0.9105 0.9105 1.0090 1.0090 5.4856 5.4856 5.6143 5.6143 5.6593 5.6593 8.5745 8.5745 9.1285 9.1285 10.7494 10.7494 11.4488 11.4488 11.7114 11.7114 k = 0.5000-0.1671 0.4942 ( 12616 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2477 -21.2477 -21.2280 -21.2280 -19.5921 -19.5921 -18.9936 -18.9936 -18.9728 -18.9728 -18.6543 -18.6543 -18.6277 -18.6277 -18.6147 -18.6147 -5.9950 -5.9950 -5.9407 -5.9407 -5.2192 -5.2192 -5.1212 -5.1212 -5.0385 -5.0385 -5.0112 -5.0112 -2.3272 -2.3272 -2.1917 -2.1917 -2.1548 -2.1548 -1.9640 -1.9640 -1.9170 -1.9170 -1.6590 -1.6590 -0.9146 -0.9146 -0.9133 -0.9133 -0.8715 -0.8715 0.1130 0.1130 0.1975 0.1975 0.2169 0.2169 0.2234 0.2234 0.4504 0.4504 0.4883 0.4883 0.8816 0.8816 0.9127 0.9127 1.0063 1.0063 5.4907 5.4907 5.6121 5.6121 5.6587 5.6587 8.5846 8.5846 9.1227 9.1227 10.7796 10.7796 11.4458 11.4458 11.7020 11.7020 k = 0.5000-0.1519 0.5049 ( 12612 PWs) bands (ev): -67.7610 -67.7610 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2470 -21.2470 -21.2287 -21.2287 -19.5920 -19.5920 -18.9932 -18.9932 -18.9732 -18.9732 -18.6542 -18.6542 -18.6274 -18.6274 -18.6151 -18.6151 -5.9934 -5.9934 -5.9420 -5.9420 -5.2159 -5.2159 -5.1234 -5.1234 -5.0406 -5.0406 -5.0109 -5.0109 -2.3247 -2.3247 -2.1940 -2.1940 -2.1493 -2.1493 -1.9702 -1.9702 -1.9180 -1.9180 -1.6591 -1.6591 -0.9131 -0.9131 -0.9119 -0.9119 -0.8724 -0.8724 0.1158 0.1158 0.1957 0.1957 0.2160 0.2160 0.2304 0.2304 0.4442 0.4442 0.4870 0.4870 0.8824 0.8824 0.9153 0.9153 1.0032 1.0032 5.4947 5.4947 5.6094 5.6094 5.6580 5.6580 8.5952 8.5952 9.1162 9.1162 10.8132 10.8132 11.4425 11.4425 11.6736 11.6736 k = 0.5000-0.1367 0.5157 ( 12616 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2463 -21.2463 -21.2294 -21.2294 -19.5920 -19.5920 -18.9928 -18.9928 -18.9737 -18.9737 -18.6540 -18.6540 -18.6270 -18.6270 -18.6155 -18.6155 -5.9917 -5.9917 -5.9433 -5.9433 -5.2123 -5.2123 -5.1259 -5.1259 -5.0427 -5.0427 -5.0106 -5.0106 -2.3221 -2.3221 -2.1969 -2.1969 -2.1429 -2.1429 -1.9775 -1.9775 -1.9189 -1.9189 -1.6593 -1.6593 -0.9116 -0.9116 -0.9103 -0.9103 -0.8735 -0.8735 0.1189 0.1189 0.1932 0.1932 0.2148 0.2148 0.2387 0.2387 0.4371 0.4371 0.4858 0.4858 0.8830 0.8830 0.9183 0.9183 0.9999 0.9999 5.5003 5.5003 5.6047 5.6047 5.6564 5.6564 8.6061 8.6061 9.1078 9.1078 10.8498 10.8498 11.4390 11.4390 11.6424 11.6424 k = 0.5000-0.1215 0.5264 ( 12618 PWs) bands (ev): -67.7612 -67.7612 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2455 -21.2455 -21.2302 -21.2302 -19.5920 -19.5920 -18.9924 -18.9924 -18.9742 -18.9742 -18.6539 -18.6539 -18.6267 -18.6267 -18.6159 -18.6159 -5.9899 -5.9899 -5.9448 -5.9448 -5.2084 -5.2084 -5.1287 -5.1287 -5.0447 -5.0447 -5.0104 -5.0104 -2.3193 -2.3193 -2.1997 -2.1997 -2.1361 -2.1361 -1.9853 -1.9853 -1.9196 -1.9196 -1.6595 -1.6595 -0.9102 -0.9102 -0.9085 -0.9085 -0.8747 -0.8747 0.1223 0.1223 0.1903 0.1903 0.2137 0.2137 0.2478 0.2478 0.4292 0.4292 0.4848 0.4848 0.8835 0.8835 0.9217 0.9217 0.9963 0.9963 5.5041 5.5041 5.6011 5.6011 5.6549 5.6549 8.6178 8.6178 9.1000 9.1000 10.8893 10.8893 11.4357 11.4357 11.6086 11.6086 k = 0.5000-0.1064 0.5372 ( 12614 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2447 -21.2447 -21.2310 -21.2310 -19.5920 -19.5920 -18.9920 -18.9920 -18.9747 -18.9747 -18.6537 -18.6537 -18.6263 -18.6263 -18.6164 -18.6164 -5.9880 -5.9880 -5.9463 -5.9463 -5.2044 -5.2044 -5.1318 -5.1318 -5.0466 -5.0466 -5.0102 -5.0102 -2.3166 -2.3166 -2.2025 -2.2025 -2.1286 -2.1286 -1.9937 -1.9937 -1.9200 -1.9200 -1.6596 -1.6596 -0.9089 -0.9089 -0.9066 -0.9066 -0.8759 -0.8759 0.1259 0.1259 0.1870 0.1870 0.2126 0.2126 0.2574 0.2574 0.4207 0.4207 0.4839 0.4839 0.8839 0.8839 0.9254 0.9254 0.9925 0.9925 5.5089 5.5089 5.5975 5.5975 5.6540 5.6540 8.6290 8.6290 9.0928 9.0928 10.9313 10.9313 11.4323 11.4323 11.5723 11.5723 k = 0.5000-0.0912 0.5479 ( 12624 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2438 -21.2438 -21.2319 -21.2319 -19.5920 -19.5920 -18.9915 -18.9915 -18.9752 -18.9752 -18.6536 -18.6536 -18.6259 -18.6259 -18.6169 -18.6169 -5.9862 -5.9862 -5.9478 -5.9478 -5.2002 -5.2002 -5.1350 -5.1350 -5.0483 -5.0483 -5.0101 -5.0101 -2.3141 -2.3141 -2.2054 -2.2054 -2.1206 -2.1206 -2.0028 -2.0028 -1.9205 -1.9205 -1.6597 -1.6597 -0.9077 -0.9077 -0.9046 -0.9046 -0.8774 -0.8774 0.1296 0.1296 0.1834 0.1834 0.2116 0.2116 0.2676 0.2676 0.4117 0.4117 0.4831 0.4831 0.8843 0.8843 0.9293 0.9293 0.9884 0.9884 5.5135 5.5135 5.5923 5.5923 5.6518 5.6518 8.6391 8.6391 9.0851 9.0851 10.9755 10.9755 11.4289 11.4289 11.5336 11.5336 k = 0.5000-0.0760 0.5587 ( 12624 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2429 -21.2429 -21.2329 -21.2329 -19.5920 -19.5920 -18.9911 -18.9911 -18.9756 -18.9756 -18.6535 -18.6535 -18.6255 -18.6255 -18.6173 -18.6173 -5.9844 -5.9844 -5.9493 -5.9493 -5.1960 -5.1960 -5.1385 -5.1385 -5.0498 -5.0498 -5.0100 -5.0100 -2.3115 -2.3115 -2.2083 -2.2083 -2.1120 -2.1120 -2.0122 -2.0122 -1.9207 -1.9207 -1.6599 -1.6599 -0.9066 -0.9066 -0.9025 -0.9025 -0.8789 -0.8789 0.1335 0.1335 0.1796 0.1796 0.2108 0.2108 0.2779 0.2779 0.4022 0.4022 0.4824 0.4824 0.8845 0.8845 0.9335 0.9335 0.9843 0.9843 5.5193 5.5193 5.5874 5.5874 5.6515 5.6515 8.6493 8.6493 9.0768 9.0768 11.0214 11.0214 11.4260 11.4260 11.4929 11.4929 k = 0.5000-0.0608 0.5694 ( 12608 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2419 -21.2419 -21.2338 -21.2338 -19.5920 -19.5920 -18.9908 -18.9908 -18.9761 -18.9761 -18.6534 -18.6534 -18.6252 -18.6252 -18.6177 -18.6177 -5.9827 -5.9827 -5.9508 -5.9508 -5.1919 -5.1919 -5.1419 -5.1419 -5.0510 -5.0510 -5.0099 -5.0099 -2.3090 -2.3090 -2.2106 -2.2106 -2.1029 -2.1029 -2.0220 -2.0220 -1.9208 -1.9208 -1.6599 -1.6599 -0.9057 -0.9057 -0.9005 -0.9005 -0.8804 -0.8804 0.1376 0.1376 0.1756 0.1756 0.2100 0.2100 0.2884 0.2884 0.3926 0.3926 0.4819 0.4819 0.8847 0.8847 0.9378 0.9378 0.9800 0.9800 5.5271 5.5271 5.5820 5.5820 5.6514 5.6514 8.6595 8.6595 9.0721 9.0721 11.0688 11.0688 11.4234 11.4234 11.4504 11.4504 k = 0.5000-0.0456 0.5801 ( 12604 PWs) bands (ev): -67.7608 -67.7608 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2409 -21.2409 -21.2348 -21.2348 -19.5919 -19.5919 -18.9904 -18.9904 -18.9764 -18.9764 -18.6533 -18.6533 -18.6249 -18.6249 -18.6181 -18.6181 -5.9812 -5.9812 -5.9520 -5.9520 -5.1880 -5.1880 -5.1453 -5.1453 -5.0520 -5.0520 -5.0098 -5.0098 -2.3071 -2.3071 -2.2125 -2.2125 -2.0937 -2.0937 -2.0318 -2.0318 -1.9210 -1.9210 -1.6600 -1.6600 -0.9050 -0.9050 -0.8985 -0.8985 -0.8820 -0.8820 0.1416 0.1416 0.1716 0.1716 0.2095 0.2095 0.2986 0.2986 0.3831 0.3831 0.4815 0.4815 0.8849 0.8849 0.9421 0.9421 0.9757 0.9757 5.5326 5.5326 5.5772 5.5772 5.6508 5.6508 8.6671 8.6671 9.0678 9.0678 11.1171 11.1171 11.4047 11.4047 11.4226 11.4226 k = 0.5000-0.0304 0.5909 ( 12612 PWs) bands (ev): -67.7610 -67.7610 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2399 -21.2399 -21.2358 -21.2358 -19.5919 -19.5919 -18.9902 -18.9902 -18.9767 -18.9767 -18.6532 -18.6532 -18.6246 -18.6246 -18.6184 -18.6184 -5.9801 -5.9801 -5.9531 -5.9531 -5.1847 -5.1847 -5.1482 -5.1482 -5.0527 -5.0527 -5.0098 -5.0098 -2.3056 -2.3056 -2.2145 -2.2145 -2.0844 -2.0844 -2.0417 -2.0417 -1.9210 -1.9210 -1.6601 -1.6601 -0.9044 -0.9044 -0.8968 -0.8968 -0.8834 -0.8834 0.1455 0.1455 0.1678 0.1678 0.2090 0.2090 0.3078 0.3078 0.3743 0.3743 0.4812 0.4812 0.8849 0.8849 0.9461 0.9461 0.9717 0.9717 5.5370 5.5370 5.5724 5.5724 5.6507 5.6507 8.6727 8.6727 9.0609 9.0609 11.1660 11.1660 11.3592 11.3592 11.4205 11.4205 k = 0.5000-0.0152 0.6016 ( 12596 PWs) bands (ev): -67.7605 -67.7605 -39.9758 -39.9758 -39.0182 -39.0182 -39.0179 -39.0179 -21.2389 -21.2389 -21.2368 -21.2368 -19.5919 -19.5919 -18.9900 -18.9900 -18.9768 -18.9768 -18.6532 -18.6532 -18.6244 -18.6244 -18.6186 -18.6186 -5.9793 -5.9793 -5.9537 -5.9537 -5.1824 -5.1824 -5.1503 -5.1503 -5.0531 -5.0531 -5.0097 -5.0097 -2.3048 -2.3048 -2.2151 -2.2151 -2.0754 -2.0754 -2.0506 -2.0506 -1.9211 -1.9211 -1.6601 -1.6601 -0.9041 -0.9041 -0.8955 -0.8955 -0.8845 -0.8845 0.1487 0.1487 0.1645 0.1645 0.2088 0.2088 0.3150 0.3150 0.3674 0.3674 0.4810 0.4810 0.8850 0.8850 0.9494 0.9494 0.9685 0.9685 5.5421 5.5421 5.5714 5.5714 5.6501 5.6501 8.6758 8.6758 9.0607 9.0607 11.2150 11.2150 11.3120 11.3120 11.4194 11.4194 k = 0.5000-0.0000 0.6124 ( 12608 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2379 -21.2379 -21.2378 -21.2378 -19.5919 -19.5919 -18.9900 -18.9900 -18.9769 -18.9769 -18.6532 -18.6532 -18.6244 -18.6244 -18.6187 -18.6187 -5.9790 -5.9790 -5.9540 -5.9540 -5.1815 -5.1815 -5.1511 -5.1511 -5.0533 -5.0533 -5.0097 -5.0097 -2.3045 -2.3045 -2.2156 -2.2156 -2.0704 -2.0704 -2.0560 -2.0560 -1.9212 -1.9212 -1.6601 -1.6601 -0.9040 -0.9040 -0.8951 -0.8951 -0.8849 -0.8849 0.1501 0.1501 0.1631 0.1631 0.2087 0.2087 0.3179 0.3179 0.3646 0.3646 0.4810 0.4810 0.8850 0.8850 0.9508 0.9508 0.9671 0.9671 5.5421 5.5421 5.5690 5.5690 5.6494 5.6494 8.6769 8.6769 9.0587 9.0587 11.2622 11.2622 11.2655 11.2655 11.4190 11.4190 k = 0.5000-0.0000 0.6124 ( 12608 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2379 -21.2379 -21.2378 -21.2378 -19.5919 -19.5919 -18.9900 -18.9900 -18.9769 -18.9769 -18.6532 -18.6532 -18.6244 -18.6244 -18.6187 -18.6187 -5.9790 -5.9790 -5.9540 -5.9540 -5.1815 -5.1815 -5.1511 -5.1511 -5.0533 -5.0533 -5.0097 -5.0097 -2.3045 -2.3045 -2.2156 -2.2156 -2.0704 -2.0704 -2.0560 -2.0560 -1.9212 -1.9212 -1.6601 -1.6601 -0.9040 -0.9040 -0.8951 -0.8951 -0.8849 -0.8849 0.1501 0.1501 0.1631 0.1631 0.2087 0.2087 0.3179 0.3179 0.3646 0.3646 0.4810 0.4810 0.8850 0.8850 0.9508 0.9508 0.9671 0.9671 5.5421 5.5421 5.5690 5.5690 5.6494 5.6494 8.6769 8.6769 9.0587 9.0587 11.2622 11.2622 11.2655 11.2655 11.4190 11.4190 k = 0.4911 0.0155 0.6124 ( 12598 PWs) bands (ev): -67.7606 -67.7606 -39.9758 -39.9758 -39.0182 -39.0182 -39.0180 -39.0180 -21.2386 -21.2386 -21.2372 -21.2372 -19.5919 -19.5919 -18.9900 -18.9900 -18.9769 -18.9769 -18.6532 -18.6532 -18.6244 -18.6244 -18.6186 -18.6186 -5.9792 -5.9792 -5.9539 -5.9539 -5.1820 -5.1820 -5.1507 -5.1507 -5.0533 -5.0533 -5.0099 -5.0099 -2.3045 -2.3045 -2.2154 -2.2154 -2.0729 -2.0729 -2.0530 -2.0530 -1.9210 -1.9210 -1.6602 -1.6602 -0.9059 -0.9059 -0.8939 -0.8939 -0.8841 -0.8841 0.1494 0.1494 0.1637 0.1637 0.2088 0.2088 0.3166 0.3166 0.3658 0.3658 0.4812 0.4812 0.8851 0.8851 0.9501 0.9501 0.9677 0.9677 5.5422 5.5422 5.5704 5.5704 5.6503 5.6503 8.6771 8.6771 9.0599 9.0599 11.2316 11.2316 11.2903 11.2903 11.4238 11.4238 k = 0.4821 0.0309 0.6124 ( 12610 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2392 -21.2392 -21.2366 -21.2366 -19.5919 -19.5919 -18.9900 -18.9900 -18.9768 -18.9768 -18.6532 -18.6532 -18.6245 -18.6245 -18.6185 -18.6185 -5.9796 -5.9796 -5.9537 -5.9537 -5.1831 -5.1831 -5.1498 -5.1498 -5.0533 -5.0533 -5.0102 -5.0102 -2.3047 -2.3047 -2.2152 -2.2152 -2.0781 -2.0781 -2.0475 -2.0475 -1.9207 -1.9207 -1.6604 -1.6604 -0.9101 -0.9101 -0.8916 -0.8916 -0.8823 -0.8823 0.1477 0.1477 0.1653 0.1653 0.2093 0.2093 0.3132 0.3132 0.3689 0.3689 0.4818 0.4818 0.8854 0.8854 0.9484 0.9484 0.9695 0.9695 5.5397 5.5397 5.5710 5.5710 5.6497 5.6497 8.6763 8.6763 9.0596 9.0596 11.2012 11.2012 11.3024 11.3024 11.4392 11.4392 k = 0.4732 0.0464 0.6124 ( 12602 PWs) bands (ev): -67.7607 -67.7607 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2398 -21.2398 -21.2361 -21.2361 -19.5918 -19.5918 -18.9901 -18.9901 -18.9767 -18.9767 -18.6532 -18.6532 -18.6246 -18.6246 -18.6184 -18.6184 -5.9801 -5.9801 -5.9535 -5.9535 -5.1848 -5.1848 -5.1486 -5.1486 -5.0533 -5.0533 -5.0108 -5.0108 -2.3048 -2.3048 -2.2145 -2.2145 -2.0835 -2.0835 -2.0412 -2.0412 -1.9200 -1.9200 -1.6606 -1.6606 -0.9149 -0.9149 -0.8893 -0.8893 -0.8799 -0.8799 0.1456 0.1456 0.1670 0.1670 0.2100 0.2100 0.3085 0.3085 0.3729 0.3729 0.4829 0.4829 0.8858 0.8858 0.9460 0.9460 0.9717 0.9717 5.5380 5.5380 5.5739 5.5739 5.6497 5.6497 8.6760 8.6760 9.0621 9.0621 11.1726 11.1726 11.3027 11.3027 11.4631 11.4631 k = 0.4643 0.0619 0.6124 ( 12609 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2404 -21.2404 -21.2356 -21.2356 -19.5917 -19.5917 -18.9901 -18.9901 -18.9766 -18.9766 -18.6533 -18.6533 -18.6247 -18.6247 -18.6182 -18.6182 -5.9808 -5.9808 -5.9533 -5.9533 -5.1867 -5.1867 -5.1471 -5.1471 -5.0532 -5.0532 -5.0115 -5.0115 -2.3051 -2.3051 -2.2138 -2.2138 -2.0889 -2.0889 -2.0350 -2.0350 -1.9191 -1.9191 -1.6609 -1.6609 -0.9199 -0.9199 -0.8872 -0.8872 -0.8771 -0.8771 0.1433 0.1433 0.1687 0.1687 0.2110 0.2110 0.3033 0.3033 0.3771 0.3771 0.4845 0.4845 0.8865 0.8865 0.9434 0.9434 0.9743 0.9743 5.5338 5.5338 5.5762 5.5762 5.6500 5.6500 8.6750 8.6750 9.0634 9.0634 11.1459 11.1459 11.2965 11.2965 11.4902 11.4902 k = 0.4554 0.0773 0.6124 ( 12605 PWs) bands (ev): -67.7608 -67.7608 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2409 -21.2409 -21.2351 -21.2351 -19.5915 -19.5915 -18.9902 -18.9902 -18.9765 -18.9765 -18.6533 -18.6533 -18.6249 -18.6249 -18.6180 -18.6180 -5.9815 -5.9815 -5.9530 -5.9530 -5.1887 -5.1887 -5.1456 -5.1456 -5.0532 -5.0532 -5.0123 -5.0123 -2.3054 -2.3054 -2.2129 -2.2129 -2.0938 -2.0938 -2.0291 -2.0291 -1.9181 -1.9181 -1.6612 -1.6612 -0.9247 -0.9247 -0.8855 -0.8855 -0.8742 -0.8742 0.1410 0.1410 0.1702 0.1702 0.2123 0.2123 0.2980 0.2980 0.3811 0.3811 0.4864 0.4864 0.8873 0.8873 0.9406 0.9406 0.9768 0.9768 5.5309 5.5309 5.5795 5.5795 5.6499 5.6499 8.6744 8.6744 9.0660 9.0660 11.1212 11.1212 11.2873 11.2873 11.5173 11.5173 k = 0.4464 0.0928 0.6124 ( 12608 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2414 -21.2414 -21.2348 -21.2348 -19.5914 -19.5914 -18.9903 -18.9903 -18.9763 -18.9763 -18.6534 -18.6534 -18.6251 -18.6251 -18.6178 -18.6178 -5.9823 -5.9823 -5.9528 -5.9528 -5.1907 -5.1907 -5.1442 -5.1442 -5.0531 -5.0531 -5.0131 -5.0131 -2.3059 -2.3059 -2.2120 -2.2120 -2.0983 -2.0983 -2.0235 -2.0235 -1.9169 -1.9169 -1.6616 -1.6616 -0.9293 -0.9293 -0.8839 -0.8839 -0.8714 -0.8714 0.1389 0.1389 0.1715 0.1715 0.2138 0.2138 0.2929 0.2929 0.3846 0.3846 0.4887 0.4887 0.8882 0.8882 0.9378 0.9378 0.9793 0.9793 5.5278 5.5278 5.5830 5.5830 5.6492 5.6492 8.6729 8.6729 9.0679 9.0679 11.0987 11.0987 11.2770 11.2770 11.5427 11.5427 k = 0.4375 0.1083 0.6124 ( 12609 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2418 -21.2418 -21.2344 -21.2344 -19.5913 -19.5913 -18.9904 -18.9904 -18.9762 -18.9762 -18.6534 -18.6534 -18.6253 -18.6253 -18.6176 -18.6176 -5.9830 -5.9830 -5.9526 -5.9526 -5.1926 -5.1926 -5.1429 -5.1429 -5.0530 -5.0530 -5.0139 -5.0139 -2.3063 -2.3063 -2.2111 -2.2111 -2.1023 -2.1023 -2.0186 -2.0186 -1.9156 -1.9156 -1.6619 -1.6619 -0.9335 -0.9335 -0.8826 -0.8826 -0.8687 -0.8687 0.1369 0.1369 0.1725 0.1725 0.2153 0.2153 0.2881 0.2881 0.3876 0.3876 0.4912 0.4912 0.8892 0.8892 0.9350 0.9350 0.9816 0.9816 5.5247 5.5247 5.5862 5.5862 5.6488 5.6488 8.6716 8.6716 9.0704 9.0704 11.0786 11.0786 11.2666 11.2666 11.5656 11.5656 k = 0.4286 0.1237 0.6124 ( 12598 PWs) bands (ev): -67.7606 -67.7606 -39.9758 -39.9758 -39.0181 -39.0181 -39.0180 -39.0180 -21.2422 -21.2422 -21.2342 -21.2342 -19.5911 -19.5911 -18.9904 -18.9904 -18.9761 -18.9761 -18.6535 -18.6535 -18.6254 -18.6254 -18.6175 -18.6175 -5.9837 -5.9837 -5.9524 -5.9524 -5.1943 -5.1943 -5.1418 -5.1418 -5.0529 -5.0529 -5.0148 -5.0148 -2.3066 -2.3066 -2.2100 -2.2100 -2.1058 -2.1058 -2.0141 -2.0141 -1.9142 -1.9142 -1.6622 -1.6622 -0.9373 -0.9373 -0.8815 -0.8815 -0.8663 -0.8663 0.1351 0.1351 0.1732 0.1732 0.2169 0.2169 0.2838 0.2838 0.3901 0.3901 0.4937 0.4937 0.8903 0.8903 0.9324 0.9324 0.9836 0.9836 5.5230 5.5230 5.5898 5.5898 5.6489 5.6489 8.6712 8.6712 9.0739 9.0739 11.0608 11.0608 11.2569 11.2569 11.5857 11.5857 k = 0.4196 0.1392 0.6124 ( 12616 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2425 -21.2425 -21.2339 -21.2339 -19.5910 -19.5910 -18.9905 -18.9905 -18.9759 -18.9759 -18.6535 -18.6535 -18.6256 -18.6256 -18.6173 -18.6173 -5.9843 -5.9843 -5.9523 -5.9523 -5.1958 -5.1958 -5.1408 -5.1408 -5.0529 -5.0529 -5.0155 -5.0155 -2.3072 -2.3072 -2.2093 -2.2093 -2.1091 -2.1091 -2.0104 -2.0104 -1.9130 -1.9130 -1.6626 -1.6626 -0.9406 -0.9406 -0.8805 -0.8805 -0.8642 -0.8642 0.1335 0.1335 0.1737 0.1737 0.2185 0.2185 0.2800 0.2800 0.3920 0.3920 0.4962 0.4962 0.8914 0.8914 0.9300 0.9300 0.9855 0.9855 5.5184 5.5184 5.5920 5.5920 5.6480 5.6480 8.6684 8.6684 9.0748 9.0748 11.0456 11.0456 11.2479 11.2479 11.6027 11.6027 k = 0.4107 0.1546 0.6124 ( 12614 PWs) bands (ev): -67.7610 -67.7610 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2428 -21.2428 -21.2337 -21.2337 -19.5909 -19.5909 -18.9906 -18.9906 -18.9758 -18.9758 -18.6536 -18.6536 -18.6257 -18.6257 -18.6171 -18.6171 -5.9849 -5.9849 -5.9521 -5.9521 -5.1971 -5.1971 -5.1399 -5.1399 -5.0528 -5.0528 -5.0162 -5.0162 -2.3076 -2.3076 -2.2086 -2.2086 -2.1114 -2.1114 -2.0074 -2.0074 -1.9118 -1.9118 -1.6628 -1.6628 -0.9433 -0.9433 -0.8797 -0.8797 -0.8624 -0.8624 0.1322 0.1322 0.1741 0.1741 0.2198 0.2198 0.2768 0.2768 0.3934 0.3934 0.4984 0.4984 0.8926 0.8926 0.9278 0.9278 0.9870 0.9870 5.5177 5.5177 5.5945 5.5945 5.6473 5.6473 8.6674 8.6674 9.0763 9.0763 11.0330 11.0330 11.2403 11.2403 11.6166 11.6166 k = 0.4018 0.1701 0.6124 ( 12614 PWs) bands (ev): -67.7610 -67.7610 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2430 -21.2430 -21.2336 -21.2336 -19.5908 -19.5908 -18.9906 -18.9906 -18.9757 -18.9757 -18.6536 -18.6536 -18.6258 -18.6258 -18.6170 -18.6170 -5.9853 -5.9853 -5.9521 -5.9521 -5.1981 -5.1981 -5.1393 -5.1393 -5.0527 -5.0527 -5.0167 -5.0167 -2.3078 -2.3078 -2.2080 -2.2080 -2.1134 -2.1134 -2.0050 -2.0050 -1.9108 -1.9108 -1.6630 -1.6630 -0.9455 -0.9455 -0.8791 -0.8791 -0.8610 -0.8610 0.1312 0.1312 0.1744 0.1744 0.2210 0.2210 0.2743 0.2743 0.3945 0.3945 0.5003 0.5003 0.8936 0.8936 0.9259 0.9259 0.9882 0.9882 5.5159 5.5159 5.5965 5.5965 5.6466 5.6466 8.6669 8.6669 9.0781 9.0781 11.0231 11.0231 11.2343 11.2343 11.6276 11.6276 k = 0.3929 0.1856 0.6124 ( 12626 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2431 -21.2431 -21.2335 -21.2335 -19.5908 -19.5908 -18.9906 -18.9906 -18.9757 -18.9757 -18.6536 -18.6536 -18.6259 -18.6259 -18.6169 -18.6169 -5.9856 -5.9856 -5.9520 -5.9520 -5.1989 -5.1989 -5.1389 -5.1389 -5.0526 -5.0526 -5.0171 -5.0171 -2.3081 -2.3081 -2.2077 -2.2077 -2.1149 -2.1149 -2.0034 -2.0034 -1.9101 -1.9101 -1.6632 -1.6632 -0.9471 -0.9471 -0.8786 -0.8786 -0.8600 -0.8600 0.1305 0.1305 0.1746 0.1746 0.2218 0.2218 0.2724 0.2724 0.3952 0.3952 0.5017 0.5017 0.8944 0.8944 0.9244 0.9244 0.9891 0.9891 5.5141 5.5141 5.5974 5.5974 5.6452 5.6452 8.6659 8.6659 9.0777 9.0777 11.0160 11.0160 11.2297 11.2297 11.6353 11.6353 k = 0.3839 0.2010 0.6124 ( 12625 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2432 -21.2432 -21.2334 -21.2334 -19.5907 -19.5907 -18.9907 -18.9907 -18.9756 -18.9756 -18.6536 -18.6536 -18.6259 -18.6259 -18.6169 -18.6169 -5.9858 -5.9858 -5.9520 -5.9520 -5.1993 -5.1993 -5.1386 -5.1386 -5.0526 -5.0526 -5.0173 -5.0173 -2.3082 -2.3082 -2.2074 -2.2074 -2.1157 -2.1157 -2.0024 -2.0024 -1.9096 -1.9096 -1.6633 -1.6633 -0.9481 -0.9481 -0.8783 -0.8783 -0.8593 -0.8593 0.1300 0.1300 0.1746 0.1746 0.2223 0.2223 0.2713 0.2713 0.3956 0.3956 0.5025 0.5025 0.8950 0.8950 0.9235 0.9235 0.9896 0.9896 5.5136 5.5136 5.5982 5.5982 5.6447 5.6447 8.6657 8.6657 9.0787 9.0787 11.0117 11.0117 11.2271 11.2271 11.6400 11.6400 k = 0.3750 0.2165 0.6124 ( 12632 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2433 -21.2433 -21.2334 -21.2334 -19.5907 -19.5907 -18.9907 -18.9907 -18.9756 -18.9756 -18.6536 -18.6536 -18.6259 -18.6259 -18.6169 -18.6169 -5.9858 -5.9858 -5.9520 -5.9520 -5.1995 -5.1995 -5.1385 -5.1385 -5.0526 -5.0526 -5.0174 -5.0174 -2.3082 -2.3082 -2.2075 -2.2075 -2.1160 -2.1160 -2.0021 -2.0021 -1.9095 -1.9095 -1.6633 -1.6633 -0.9484 -0.9484 -0.8783 -0.8783 -0.8591 -0.8591 0.1299 0.1299 0.1747 0.1747 0.2225 0.2225 0.2710 0.2710 0.3958 0.3958 0.5028 0.5028 0.8952 0.8952 0.9232 0.9232 0.9898 0.9898 5.5133 5.5133 5.5980 5.5980 5.6442 5.6442 8.6654 8.6654 9.0774 9.0774 11.0103 11.0103 11.2261 11.2261 11.6415 11.6415 k = 0.3750 0.2165 0.6124 ( 12632 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2433 -21.2433 -21.2334 -21.2334 -19.5907 -19.5907 -18.9907 -18.9907 -18.9756 -18.9756 -18.6536 -18.6536 -18.6259 -18.6259 -18.6169 -18.6169 -5.9858 -5.9858 -5.9520 -5.9520 -5.1995 -5.1995 -5.1385 -5.1385 -5.0526 -5.0526 -5.0174 -5.0174 -2.3082 -2.3082 -2.2075 -2.2075 -2.1160 -2.1160 -2.0021 -2.0021 -1.9095 -1.9095 -1.6633 -1.6633 -0.9484 -0.9484 -0.8783 -0.8783 -0.8591 -0.8591 0.1299 0.1299 0.1747 0.1747 0.2225 0.2225 0.2710 0.2710 0.3958 0.3958 0.5028 0.5028 0.8952 0.8952 0.9232 0.9232 0.9898 0.9898 5.5133 5.5133 5.5980 5.5980 5.6442 5.6442 8.6654 8.6654 9.0774 9.0774 11.0103 11.0103 11.2261 11.2261 11.6415 11.6415 k = 0.3656 0.2111 0.5971 ( 12622 PWs) bands (ev): -67.7613 -67.7613 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2423 -21.2423 -21.2347 -21.2347 -19.5903 -19.5903 -18.9900 -18.9900 -18.9762 -18.9762 -18.6535 -18.6535 -18.6256 -18.6256 -18.6173 -18.6173 -5.9844 -5.9844 -5.9544 -5.9544 -5.1958 -5.1958 -5.1424 -5.1424 -5.0556 -5.0556 -5.0192 -5.0192 -2.3040 -2.3040 -2.2104 -2.2104 -2.1069 -2.1069 -2.0088 -2.0088 -1.9075 -1.9075 -1.6646 -1.6646 -0.9520 -0.9520 -0.8786 -0.8786 -0.8526 -0.8526 0.1335 0.1335 0.1706 0.1706 0.2231 0.2231 0.2813 0.2813 0.3861 0.3861 0.5049 0.5049 0.8977 0.8977 0.9261 0.9261 0.9865 0.9865 5.5183 5.5183 5.5958 5.5958 5.6425 5.6425 8.6829 8.6829 9.0706 9.0706 11.0627 11.0627 11.1691 11.1691 11.6321 11.6321 k = 0.3563 0.2057 0.5818 ( 12618 PWs) bands (ev): -67.7612 -67.7612 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2412 -21.2412 -21.2361 -21.2361 -19.5898 -19.5898 -18.9894 -18.9894 -18.9767 -18.9767 -18.6535 -18.6535 -18.6253 -18.6253 -18.6176 -18.6176 -5.9833 -5.9833 -5.9566 -5.9566 -5.1925 -5.1925 -5.1462 -5.1462 -5.0588 -5.0588 -5.0213 -5.0213 -2.2996 -2.2996 -2.2135 -2.2135 -2.0973 -2.0973 -2.0151 -2.0151 -1.9053 -1.9053 -1.6661 -1.6661 -0.9556 -0.9556 -0.8793 -0.8793 -0.8458 -0.8458 0.1371 0.1371 0.1667 0.1667 0.2238 0.2238 0.2916 0.2916 0.3769 0.3769 0.5070 0.5070 0.9005 0.9005 0.9291 0.9291 0.9832 0.9832 5.5242 5.5242 5.5929 5.5929 5.6403 5.6403 8.7008 8.7008 9.0619 9.0619 11.1064 11.1064 11.1179 11.1179 11.6234 11.6234 k = 0.3469 0.2003 0.5664 ( 12622 PWs) bands (ev): -67.7613 -67.7613 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2402 -21.2402 -21.2376 -21.2376 -19.5893 -19.5893 -18.9887 -18.9887 -18.9772 -18.9772 -18.6534 -18.6534 -18.6250 -18.6250 -18.6180 -18.6180 -5.9829 -5.9829 -5.9586 -5.9586 -5.1900 -5.1900 -5.1496 -5.1496 -5.0623 -5.0623 -5.0236 -5.0236 -2.2951 -2.2951 -2.2164 -2.2164 -2.0877 -2.0877 -2.0207 -2.0207 -1.9027 -1.9027 -1.6680 -1.6680 -0.9592 -0.9592 -0.8799 -0.8799 -0.8390 -0.8390 0.1405 0.1405 0.1631 0.1631 0.2246 0.2246 0.3016 0.3016 0.3685 0.3685 0.5091 0.5091 0.9033 0.9033 0.9323 0.9323 0.9801 0.9801 5.5275 5.5275 5.5899 5.5899 5.6382 5.6382 8.7186 8.7186 9.0540 9.0540 11.0392 11.0392 11.1751 11.1751 11.6147 11.6147 k = 0.3375 0.1949 0.5511 ( 12616 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2392 -21.2392 -21.2391 -21.2391 -19.5886 -19.5886 -18.9879 -18.9879 -18.9777 -18.9777 -18.6533 -18.6533 -18.6248 -18.6248 -18.6183 -18.6183 -5.9835 -5.9835 -5.9599 -5.9599 -5.1889 -5.1889 -5.1520 -5.1520 -5.0662 -5.0662 -5.0260 -5.0260 -2.2903 -2.2903 -2.2190 -2.2190 -2.0778 -2.0778 -2.0253 -2.0253 -1.8999 -1.8999 -1.6702 -1.6702 -0.9626 -0.9626 -0.8806 -0.8806 -0.8324 -0.8324 0.1437 0.1437 0.1603 0.1603 0.2253 0.2253 0.3105 0.3105 0.3617 0.3617 0.5113 0.5113 0.9062 0.9062 0.9356 0.9356 0.9772 0.9772 5.5319 5.5319 5.5874 5.5874 5.6365 5.6365 8.7373 8.7373 9.0473 9.0473 10.9676 10.9676 11.2346 11.2346 11.6062 11.6062 k = 0.3281 0.1894 0.5358 ( 12620 PWs) bands (ev): -67.7612 -67.7612 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2409 -21.2409 -21.2379 -21.2379 -19.5878 -19.5878 -18.9872 -18.9872 -18.9782 -18.9782 -18.6533 -18.6533 -18.6246 -18.6246 -18.6185 -18.6185 -5.9853 -5.9853 -5.9603 -5.9603 -5.1897 -5.1897 -5.1529 -5.1529 -5.0706 -5.0706 -5.0285 -5.0285 -2.2855 -2.2855 -2.2217 -2.2217 -2.0679 -2.0679 -2.0287 -2.0287 -1.8968 -1.8968 -1.6727 -1.6727 -0.9659 -0.9659 -0.8813 -0.8813 -0.8259 -0.8259 0.1459 0.1459 0.1586 0.1586 0.2261 0.2261 0.3171 0.3171 0.3578 0.3578 0.5135 0.5135 0.9092 0.9092 0.9391 0.9391 0.9745 0.9745 5.5358 5.5358 5.5840 5.5840 5.6342 5.6342 8.7561 8.7561 9.0394 9.0394 10.8924 10.8924 11.2958 11.2958 11.5975 11.5975 k = 0.3187 0.1840 0.5205 ( 12620 PWs) bands (ev): -67.7612 -67.7612 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2427 -21.2427 -21.2368 -21.2368 -19.5870 -19.5870 -18.9865 -18.9865 -18.9787 -18.9787 -18.6533 -18.6533 -18.6245 -18.6245 -18.6187 -18.6187 -5.9883 -5.9883 -5.9599 -5.9599 -5.1926 -5.1926 -5.1521 -5.1521 -5.0756 -5.0756 -5.0310 -5.0310 -2.2805 -2.2805 -2.2242 -2.2242 -2.0587 -2.0587 -2.0300 -2.0300 -1.8935 -1.8935 -1.6757 -1.6757 -0.9689 -0.9689 -0.8819 -0.8819 -0.8198 -0.8198 0.1464 0.1464 0.1590 0.1590 0.2269 0.2269 0.3197 0.3197 0.3586 0.3586 0.5158 0.5158 0.9122 0.9122 0.9427 0.9427 0.9722 0.9722 5.5399 5.5399 5.5811 5.5811 5.6322 5.6322 8.7753 8.7753 9.0319 9.0319 10.8140 10.8140 11.3586 11.3586 11.5887 11.5887 k = 0.3094 0.1786 0.5052 ( 12612 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2446 -21.2446 -21.2356 -21.2356 -19.5860 -19.5860 -18.9857 -18.9857 -18.9791 -18.9791 -18.6533 -18.6533 -18.6245 -18.6245 -18.6188 -18.6188 -5.9923 -5.9923 -5.9589 -5.9589 -5.1973 -5.1973 -5.1499 -5.1499 -5.0813 -5.0813 -5.0334 -5.0334 -2.2754 -2.2754 -2.2262 -2.2262 -2.0512 -2.0512 -2.0282 -2.0282 -1.8900 -1.8900 -1.6790 -1.6790 -0.9716 -0.9716 -0.8825 -0.8825 -0.8141 -0.8141 0.1454 0.1454 0.1612 0.1612 0.2277 0.2277 0.3183 0.3183 0.3642 0.3642 0.5180 0.5180 0.9153 0.9153 0.9463 0.9463 0.9703 0.9703 5.5443 5.5443 5.5790 5.5790 5.6305 5.6305 8.7947 8.7947 9.0261 9.0261 10.7328 10.7328 11.4225 11.4225 11.5799 11.5799 k = 0.3000 0.1732 0.4899 ( 12630 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2466 -21.2466 -21.2344 -21.2344 -19.5850 -19.5850 -18.9850 -18.9850 -18.9795 -18.9795 -18.6533 -18.6533 -18.6245 -18.6245 -18.6188 -18.6188 -5.9971 -5.9971 -5.9575 -5.9575 -5.2032 -5.2032 -5.1469 -5.1469 -5.0878 -5.0878 -5.0358 -5.0358 -2.2704 -2.2704 -2.2283 -2.2283 -2.0468 -2.0468 -2.0224 -2.0224 -1.8862 -1.8862 -1.6828 -1.6828 -0.9739 -0.9739 -0.8829 -0.8829 -0.8088 -0.8088 0.1439 0.1439 0.1643 0.1643 0.2285 0.2285 0.3151 0.3151 0.3725 0.3725 0.5202 0.5202 0.9184 0.9184 0.9500 0.9500 0.9688 0.9688 5.5452 5.5452 5.5756 5.5756 5.6281 5.6281 8.8129 8.8129 9.0186 9.0186 10.6494 10.6494 11.4869 11.4869 11.5709 11.5709 k = 0.2906 0.1678 0.4746 ( 12632 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2487 -21.2487 -21.2333 -21.2333 -19.5838 -19.5838 -18.9842 -18.9842 -18.9798 -18.9798 -18.6533 -18.6533 -18.6246 -18.6246 -18.6188 -18.6188 -6.0025 -6.0025 -5.9558 -5.9558 -5.2101 -5.2101 -5.1435 -5.1435 -5.0950 -5.0950 -5.0379 -5.0379 -2.2653 -2.2653 -2.2301 -2.2301 -2.0441 -2.0441 -2.0133 -2.0133 -1.8821 -1.8821 -1.6871 -1.6871 -0.9758 -0.9758 -0.8832 -0.8832 -0.8040 -0.8040 0.1425 0.1425 0.1678 0.1678 0.2293 0.2293 0.3115 0.3115 0.3819 0.3819 0.5223 0.5223 0.9215 0.9215 0.9537 0.9537 0.9679 0.9679 5.5490 5.5490 5.5728 5.5728 5.6266 5.6266 8.8318 8.8318 9.0118 9.0118 10.5642 10.5642 11.5480 11.5480 11.5656 11.5656 k = 0.2812 0.1624 0.4593 ( 12654 PWs) bands (ev): -67.7622 -67.7622 -39.9761 -39.9761 -39.0184 -39.0184 -39.0182 -39.0182 -21.2508 -21.2508 -21.2321 -21.2321 -19.5826 -19.5826 -18.9835 -18.9835 -18.9801 -18.9801 -18.6533 -18.6533 -18.6247 -18.6247 -18.6188 -18.6188 -6.0083 -6.0083 -5.9541 -5.9541 -5.2175 -5.2175 -5.1401 -5.1401 -5.1029 -5.1029 -5.0399 -5.0399 -2.2603 -2.2603 -2.2316 -2.2316 -2.0416 -2.0416 -2.0029 -2.0029 -1.8780 -1.8780 -1.6920 -1.6920 -0.9772 -0.9772 -0.8834 -0.8834 -0.7997 -0.7997 0.1414 0.1414 0.1713 0.1713 0.2301 0.2301 0.3085 0.3085 0.3917 0.3917 0.5244 0.5244 0.9245 0.9245 0.9573 0.9573 0.9676 0.9676 5.5494 5.5494 5.5697 5.5697 5.6238 5.6238 8.8489 8.8489 9.0054 9.0054 10.4774 10.4774 11.5501 11.5501 11.6188 11.6188 k = 0.2719 0.1570 0.4440 ( 12622 PWs) bands (ev): -67.7612 -67.7612 -39.9759 -39.9759 -39.0183 -39.0183 -39.0181 -39.0181 -21.2530 -21.2530 -21.2309 -21.2309 -19.5812 -19.5812 -18.9827 -18.9827 -18.9803 -18.9803 -18.6533 -18.6533 -18.6248 -18.6248 -18.6187 -18.6187 -6.0146 -6.0146 -5.9523 -5.9523 -5.2254 -5.2254 -5.1372 -5.1372 -5.1110 -5.1110 -5.0417 -5.0417 -2.2548 -2.2548 -2.2321 -2.2321 -2.0380 -2.0380 -1.9916 -1.9916 -1.8734 -1.8734 -1.6972 -1.6972 -0.9780 -0.9780 -0.8835 -0.8835 -0.7960 -0.7960 0.1407 0.1407 0.1748 0.1748 0.2308 0.2308 0.3065 0.3065 0.4016 0.4016 0.5264 0.5264 0.9276 0.9276 0.9607 0.9607 0.9681 0.9681 5.5526 5.5526 5.5707 5.5707 5.6239 5.6239 8.8698 8.8698 9.0046 9.0046 10.3899 10.3899 11.5410 11.5410 11.6828 11.6828 k = 0.2625 0.1516 0.4287 ( 12630 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2553 -21.2553 -21.2297 -21.2297 -19.5797 -19.5797 -18.9820 -18.9820 -18.9805 -18.9805 -18.6534 -18.6534 -18.6249 -18.6249 -18.6187 -18.6187 -6.0213 -6.0213 -5.9506 -5.9506 -5.2337 -5.2337 -5.1361 -5.1361 -5.1182 -5.1182 -5.0434 -5.0434 -2.2498 -2.2498 -2.2328 -2.2328 -2.0336 -2.0336 -1.9803 -1.9803 -1.8687 -1.8687 -1.7029 -1.7029 -0.9782 -0.9782 -0.8834 -0.8834 -0.7930 -0.7930 0.1404 0.1404 0.1783 0.1783 0.2316 0.2316 0.3055 0.3055 0.4113 0.4113 0.5284 0.5284 0.9306 0.9306 0.9636 0.9636 0.9697 0.9697 5.5524 5.5524 5.5700 5.5700 5.6222 5.6222 8.8873 8.8873 9.0003 9.0003 10.3015 10.3015 11.5309 11.5309 11.7459 11.7459 k = 0.2531 0.1461 0.4134 ( 12614 PWs) bands (ev): -67.7610 -67.7610 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2577 -21.2577 -21.2286 -21.2286 -19.5781 -19.5781 -18.9813 -18.9813 -18.9806 -18.9806 -18.6534 -18.6534 -18.6250 -18.6250 -18.6186 -18.6186 -6.0283 -6.0283 -5.9489 -5.9489 -5.2422 -5.2422 -5.1400 -5.1400 -5.1212 -5.1212 -5.0450 -5.0450 -2.2447 -2.2447 -2.2328 -2.2328 -2.0278 -2.0278 -1.9688 -1.9688 -1.8637 -1.8637 -1.7092 -1.7092 -0.9777 -0.9777 -0.8832 -0.8832 -0.7905 -0.7905 0.1406 0.1406 0.1816 0.1816 0.2322 0.2322 0.3057 0.3057 0.4207 0.4207 0.5304 0.5304 0.9336 0.9336 0.9660 0.9660 0.9724 0.9724 5.5540 5.5540 5.5711 5.5711 5.6221 5.6221 8.9050 8.9050 8.9996 8.9996 10.2130 10.2130 11.5203 11.5203 11.8071 11.8071 k = 0.2437 0.1407 0.3980 ( 12608 PWs) bands (ev): -67.7608 -67.7608 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2601 -21.2601 -21.2274 -21.2274 -19.5764 -19.5764 -18.9807 -18.9807 -18.9806 -18.9806 -18.6534 -18.6534 -18.6251 -18.6251 -18.6186 -18.6186 -6.0355 -6.0355 -5.9472 -5.9472 -5.2508 -5.2508 -5.1490 -5.1490 -5.1200 -5.1200 -5.0465 -5.0465 -2.2398 -2.2398 -2.2325 -2.2325 -2.0211 -2.0211 -1.9575 -1.9575 -1.8587 -1.8587 -1.7159 -1.7159 -0.9766 -0.9766 -0.8828 -0.8828 -0.7887 -0.7887 0.1413 0.1413 0.1849 0.1849 0.2328 0.2328 0.3073 0.3073 0.4298 0.4298 0.5323 0.5323 0.9365 0.9365 0.9683 0.9683 0.9757 0.9757 5.5539 5.5539 5.5717 5.5717 5.6214 5.6214 8.9224 8.9224 8.9985 8.9985 10.1244 10.1244 11.5088 11.5088 11.8652 11.8652 k = 0.2344 0.1353 0.3827 ( 12598 PWs) bands (ev): -67.7605 -67.7605 -39.9758 -39.9758 -39.0182 -39.0182 -39.0179 -39.0179 -21.2625 -21.2625 -21.2263 -21.2263 -19.5746 -19.5746 -18.9807 -18.9807 -18.9800 -18.9800 -18.6535 -18.6535 -18.6252 -18.6252 -18.6186 -18.6186 -6.0430 -6.0430 -5.9457 -5.9457 -5.2596 -5.2596 -5.1602 -5.1602 -5.1174 -5.1174 -5.0479 -5.0479 -2.2351 -2.2351 -2.2319 -2.2319 -2.0134 -2.0134 -1.9460 -1.9460 -1.8532 -1.8532 -1.7230 -1.7230 -0.9749 -0.9749 -0.8823 -0.8823 -0.7875 -0.7875 0.1424 0.1424 0.1880 0.1880 0.2334 0.2334 0.3101 0.3101 0.4385 0.4385 0.5341 0.5341 0.9395 0.9395 0.9708 0.9708 0.9793 0.9793 5.5531 5.5531 5.5738 5.5738 5.6220 5.6220 8.9396 8.9396 8.9968 8.9968 10.0364 10.0364 11.4963 11.4963 11.8979 11.8979 k = 0.2250 0.1299 0.3674 ( 12614 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0183 -39.0183 -39.0180 -39.0180 -21.2650 -21.2650 -21.2252 -21.2252 -19.5728 -19.5728 -18.9807 -18.9807 -18.9794 -18.9794 -18.6535 -18.6535 -18.6252 -18.6252 -18.6186 -18.6186 -6.0506 -6.0506 -5.9442 -5.9442 -5.2685 -5.2685 -5.1723 -5.1723 -5.1145 -5.1145 -5.0493 -5.0493 -2.2326 -2.2326 -2.2294 -2.2294 -2.0047 -2.0047 -1.9352 -1.9352 -1.8478 -1.8478 -1.7306 -1.7306 -0.9725 -0.9725 -0.8817 -0.8817 -0.7870 -0.7870 0.1441 0.1441 0.1910 0.1910 0.2338 0.2338 0.3143 0.3143 0.4467 0.4467 0.5359 0.5359 0.9425 0.9425 0.9735 0.9735 0.9830 0.9830 5.5508 5.5508 5.5732 5.5732 5.6204 5.6204 8.9542 8.9542 8.9954 8.9954 9.9489 9.9489 11.4820 11.4820 11.8607 11.8607 k = 0.2156 0.1245 0.3521 ( 12620 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0183 -39.0183 -39.0180 -39.0180 -21.2675 -21.2675 -21.2241 -21.2241 -19.5709 -19.5709 -18.9806 -18.9806 -18.9788 -18.9788 -18.6535 -18.6535 -18.6253 -18.6253 -18.6187 -18.6187 -6.0585 -6.0585 -5.9428 -5.9428 -5.2774 -5.2774 -5.1851 -5.1851 -5.1116 -5.1116 -5.0507 -5.0507 -2.2313 -2.2313 -2.2255 -2.2255 -1.9949 -1.9949 -1.9245 -1.9245 -1.8423 -1.8423 -1.7384 -1.7384 -0.9694 -0.9694 -0.8809 -0.8809 -0.7871 -0.7871 0.1461 0.1461 0.1938 0.1938 0.2343 0.2343 0.3197 0.3197 0.4546 0.4546 0.5377 0.5377 0.9456 0.9456 0.9765 0.9765 0.9867 0.9867 5.5497 5.5497 5.5734 5.5734 5.6195 5.6195 8.9677 8.9677 8.9956 8.9956 9.8624 9.8624 11.4658 11.4658 11.8258 11.8258 k = 0.2062 0.1191 0.3368 ( 12614 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2701 -21.2701 -21.2231 -21.2231 -19.5689 -19.5689 -18.9804 -18.9804 -18.9782 -18.9782 -18.6535 -18.6535 -18.6253 -18.6253 -18.6187 -18.6187 -6.0664 -6.0664 -5.9416 -5.9416 -5.2863 -5.2863 -5.1984 -5.1984 -5.1087 -5.1087 -5.0521 -5.0521 -2.2295 -2.2295 -2.2213 -2.2213 -1.9841 -1.9841 -1.9142 -1.9142 -1.8366 -1.8366 -1.7464 -1.7464 -0.9656 -0.9656 -0.8799 -0.8799 -0.7877 -0.7877 0.1486 0.1486 0.1964 0.1964 0.2346 0.2346 0.3263 0.3263 0.4620 0.4620 0.5395 0.5395 0.9488 0.9488 0.9797 0.9797 0.9904 0.9904 5.5493 5.5493 5.5735 5.5735 5.6190 5.6190 8.9812 8.9812 8.9992 8.9992 9.7773 9.7773 11.4470 11.4470 11.7860 11.7860 k = 0.1969 0.1137 0.3215 ( 12618 PWs) bands (ev): -67.7610 -67.7610 -39.9759 -39.9759 -39.0183 -39.0183 -39.0180 -39.0180 -21.2726 -21.2726 -21.2221 -21.2221 -19.5669 -19.5669 -18.9802 -18.9802 -18.9777 -18.9777 -18.6535 -18.6535 -18.6252 -18.6252 -18.6189 -18.6189 -6.0744 -6.0744 -5.9405 -5.9405 -5.2951 -5.2951 -5.2120 -5.2120 -5.1060 -5.1060 -5.0536 -5.0536 -2.2279 -2.2279 -2.2173 -2.2173 -1.9727 -1.9727 -1.9043 -1.9043 -1.8309 -1.8309 -1.7546 -1.7546 -0.9613 -0.9613 -0.8788 -0.8788 -0.7890 -0.7890 0.1515 0.1515 0.1989 0.1989 0.2350 0.2350 0.3341 0.3341 0.4689 0.4689 0.5412 0.5412 0.9521 0.9521 0.9831 0.9831 0.9941 0.9941 5.5488 5.5488 5.5732 5.5732 5.6182 5.6182 8.9936 8.9936 9.0009 9.0009 9.6938 9.6938 11.4256 11.4256 11.7233 11.7233 k = 0.1875 0.1083 0.3062 ( 12614 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0183 -39.0183 -39.0180 -39.0180 -21.2751 -21.2751 -21.2211 -21.2211 -19.5648 -19.5648 -18.9799 -18.9799 -18.9772 -18.9772 -18.6535 -18.6535 -18.6252 -18.6252 -18.6190 -18.6190 -6.0824 -6.0824 -5.9394 -5.9394 -5.3037 -5.3037 -5.2258 -5.2258 -5.1034 -5.1034 -5.0550 -5.0550 -2.2259 -2.2259 -2.2134 -2.2134 -1.9607 -1.9607 -1.8949 -1.8949 -1.8252 -1.8252 -1.7626 -1.7626 -0.9565 -0.9565 -0.8776 -0.8776 -0.7908 -0.7908 0.1547 0.1547 0.2012 0.2012 0.2352 0.2352 0.3428 0.3428 0.4754 0.4754 0.5429 0.5429 0.9556 0.9556 0.9867 0.9867 0.9976 0.9976 5.5483 5.5483 5.5733 5.5733 5.6179 5.6179 9.0044 9.0044 9.0060 9.0060 9.6123 9.6123 11.4015 11.4015 11.6613 11.6613 k = 0.1781 0.1028 0.2909 ( 12626 PWs) bands (ev): -67.7613 -67.7613 -39.9759 -39.9759 -39.0183 -39.0183 -39.0180 -39.0180 -21.2776 -21.2776 -21.2202 -21.2202 -19.5628 -19.5628 -18.9796 -18.9796 -18.9768 -18.9768 -18.6535 -18.6535 -18.6251 -18.6251 -18.6192 -18.6192 -6.0904 -6.0904 -5.9385 -5.9385 -5.3123 -5.3123 -5.2397 -5.2397 -5.1010 -5.1010 -5.0565 -5.0565 -2.2238 -2.2238 -2.2099 -2.2099 -1.9483 -1.9483 -1.8862 -1.8862 -1.8197 -1.8197 -1.7703 -1.7703 -0.9512 -0.9512 -0.8763 -0.8763 -0.7930 -0.7930 0.1583 0.1583 0.2033 0.2033 0.2355 0.2355 0.3525 0.3525 0.4815 0.4815 0.5447 0.5447 0.9591 0.9591 0.9903 0.9903 1.0011 1.0011 5.5475 5.5475 5.5718 5.5718 5.6162 5.6162 9.0078 9.0078 9.0158 9.0158 9.5330 9.5330 11.3749 11.3749 11.6011 11.6011 k = 0.1688 0.0974 0.2756 ( 12610 PWs) bands (ev): -67.7607 -67.7607 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2801 -21.2801 -21.2193 -21.2193 -19.5607 -19.5607 -18.9793 -18.9793 -18.9764 -18.9764 -18.6535 -18.6535 -18.6250 -18.6250 -18.6194 -18.6194 -6.0984 -6.0984 -5.9377 -5.9377 -5.3207 -5.3207 -5.2536 -5.2536 -5.0987 -5.0987 -5.0581 -5.0581 -2.2211 -2.2211 -2.2063 -2.2063 -1.9355 -1.9355 -1.8780 -1.8780 -1.8145 -1.8145 -1.7772 -1.7772 -0.9455 -0.9455 -0.8748 -0.8748 -0.7957 -0.7957 0.1621 0.1621 0.2051 0.2051 0.2358 0.2358 0.3629 0.3629 0.4872 0.4872 0.5464 0.5464 0.9627 0.9627 0.9940 0.9940 1.0045 1.0045 5.5482 5.5482 5.5722 5.5722 5.6164 5.6164 9.0142 9.0142 9.0266 9.0266 9.4564 9.4564 11.3466 11.3466 11.5432 11.5432 k = 0.1594 0.0920 0.2603 ( 12614 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0183 -39.0183 -39.0180 -39.0180 -21.2825 -21.2825 -21.2185 -21.2185 -19.5586 -19.5586 -18.9789 -18.9789 -18.9760 -18.9760 -18.6535 -18.6535 -18.6249 -18.6249 -18.6196 -18.6196 -6.1062 -6.1062 -5.9370 -5.9370 -5.3288 -5.3288 -5.2673 -5.2673 -5.0966 -5.0966 -5.0596 -5.0596 -2.2186 -2.2186 -2.2032 -2.2032 -1.9227 -1.9227 -1.8708 -1.8708 -1.8102 -1.8102 -1.7825 -1.7825 -0.9396 -0.9396 -0.8733 -0.8733 -0.7987 -0.7987 0.1662 0.1662 0.2068 0.2068 0.2360 0.2360 0.3739 0.3739 0.4926 0.4926 0.5481 0.5481 0.9664 0.9664 0.9978 0.9978 1.0078 1.0078 5.5479 5.5479 5.5713 5.5713 5.6154 5.6154 9.0190 9.0190 9.0348 9.0348 9.3827 9.3827 11.3171 11.3171 11.4876 11.4876 k = 0.1500 0.0866 0.2449 ( 12606 PWs) bands (ev): -67.7606 -67.7606 -39.9759 -39.9759 -39.0182 -39.0182 -39.0179 -39.0179 -21.2848 -21.2848 -21.2177 -21.2177 -19.5565 -19.5565 -18.9785 -18.9785 -18.9756 -18.9756 -18.6535 -18.6535 -18.6248 -18.6248 -18.6198 -18.6198 -6.1140 -6.1140 -5.9363 -5.9363 -5.3367 -5.3367 -5.2808 -5.2808 -5.0946 -5.0946 -5.0613 -5.0613 -2.2156 -2.2156 -2.2003 -2.2003 -1.9099 -1.9099 -1.8650 -1.8650 -1.8076 -1.8076 -1.7850 -1.7850 -0.9334 -0.9334 -0.8716 -0.8716 -0.8020 -0.8020 0.1704 0.1704 0.2083 0.2083 0.2363 0.2363 0.3853 0.3853 0.4977 0.4977 0.5498 0.5498 0.9701 0.9701 1.0015 1.0015 1.0110 1.0110 5.5496 5.5496 5.5701 5.5701 5.6145 5.6145 9.0264 9.0264 9.0415 9.0415 9.3126 9.3126 11.2870 11.2870 11.4345 11.4345 k = 0.1406 0.0812 0.2296 ( 12604 PWs) bands (ev): -67.7605 -67.7605 -39.9759 -39.9759 -39.0182 -39.0182 -39.0179 -39.0179 -21.2871 -21.2871 -21.2169 -21.2169 -19.5544 -19.5544 -18.9781 -18.9781 -18.9753 -18.9753 -18.6534 -18.6534 -18.6246 -18.6246 -18.6201 -18.6201 -6.1215 -6.1215 -5.9358 -5.9358 -5.3443 -5.3443 -5.2941 -5.2941 -5.0928 -5.0928 -5.0629 -5.0629 -2.2126 -2.2126 -2.1975 -2.1975 -1.8977 -1.8977 -1.8609 -1.8609 -1.8067 -1.8067 -1.7839 -1.7839 -0.9272 -0.9272 -0.8698 -0.8698 -0.8055 -0.8055 0.1747 0.1747 0.2096 0.2096 0.2366 0.2366 0.3968 0.3968 0.5025 0.5025 0.5515 0.5515 0.9738 0.9738 1.0051 1.0051 1.0140 1.0140 5.5500 5.5500 5.5691 5.5691 5.6135 5.6135 9.0328 9.0328 9.0465 9.0465 9.2471 9.2471 11.2570 11.2570 11.3841 11.3841 k = 0.1313 0.0758 0.2143 ( 12608 PWs) bands (ev): -67.7606 -67.7606 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2893 -21.2893 -21.2162 -21.2162 -19.5524 -19.5524 -18.9777 -18.9777 -18.9751 -18.9751 -18.6534 -18.6534 -18.6244 -18.6244 -18.6203 -18.6203 -6.1288 -6.1288 -5.9353 -5.9353 -5.3516 -5.3516 -5.3069 -5.3069 -5.0911 -5.0911 -5.0646 -5.0646 -2.2097 -2.2097 -2.1951 -2.1951 -1.8865 -1.8865 -1.8588 -1.8588 -1.8058 -1.8058 -1.7804 -1.7804 -0.9211 -0.9211 -0.8679 -0.8679 -0.8092 -0.8092 0.1791 0.1791 0.2108 0.2108 0.2369 0.2369 0.4084 0.4084 0.5073 0.5073 0.5531 0.5531 0.9775 0.9775 1.0087 1.0087 1.0169 1.0169 5.5498 5.5498 5.5677 5.5677 5.6122 5.6122 9.0392 9.0392 9.0467 9.0467 9.1881 9.1881 11.2275 11.2275 11.3364 11.3364 k = 0.1219 0.0704 0.1990 ( 12600 PWs) bands (ev): -67.7604 -67.7604 -39.9758 -39.9758 -39.0182 -39.0182 -39.0179 -39.0179 -21.2914 -21.2914 -21.2156 -21.2156 -19.5505 -19.5505 -18.9772 -18.9772 -18.9748 -18.9748 -18.6534 -18.6534 -18.6242 -18.6242 -18.6206 -18.6206 -6.1358 -6.1358 -5.9350 -5.9350 -5.3585 -5.3585 -5.3192 -5.3192 -5.0895 -5.0895 -5.0662 -5.0662 -2.2065 -2.2065 -2.1929 -2.1929 -1.8771 -1.8771 -1.8581 -1.8581 -1.8033 -1.8033 -1.7758 -1.7758 -0.9151 -0.9151 -0.8659 -0.8659 -0.8129 -0.8129 0.1835 0.1835 0.2117 0.2117 0.2373 0.2373 0.4197 0.4197 0.5119 0.5119 0.5547 0.5547 0.9810 0.9810 1.0122 1.0122 1.0196 1.0196 5.5511 5.5511 5.5669 5.5669 5.6116 5.6116 9.0378 9.0378 9.0474 9.0474 9.1411 9.1411 11.1990 11.1990 11.2916 11.2916 k = 0.1125 0.0650 0.1837 ( 12576 PWs) bands (ev): -67.7596 -67.7596 -39.9757 -39.9757 -39.0180 -39.0180 -39.0178 -39.0178 -21.2934 -21.2934 -21.2150 -21.2150 -19.5486 -19.5486 -18.9768 -18.9768 -18.9746 -18.9746 -18.6534 -18.6534 -18.6241 -18.6241 -18.6209 -18.6209 -6.1425 -6.1425 -5.9347 -5.9347 -5.3650 -5.3650 -5.3309 -5.3309 -5.0880 -5.0880 -5.0679 -5.0679 -2.2031 -2.2031 -2.1906 -2.1906 -1.8724 -1.8724 -1.8557 -1.8557 -1.7986 -1.7986 -1.7707 -1.7707 -0.9095 -0.9095 -0.8638 -0.8638 -0.8166 -0.8166 0.1878 0.1878 0.2125 0.2125 0.2377 0.2377 0.4305 0.4305 0.5167 0.5167 0.5563 0.5563 0.9844 0.9844 1.0155 1.0155 1.0222 1.0222 5.5534 5.5534 5.5672 5.5672 5.6120 5.6120 9.0121 9.0121 9.0563 9.0563 9.1156 9.1156 11.1718 11.1718 11.2498 11.2498 k = 0.1031 0.0595 0.1684 ( 12573 PWs) bands (ev): -67.7595 -67.7595 -39.9757 -39.9757 -39.0180 -39.0180 -39.0178 -39.0178 -21.2953 -21.2953 -21.2144 -21.2144 -19.5468 -19.5468 -18.9763 -18.9763 -18.9744 -18.9744 -18.6534 -18.6534 -18.6239 -18.6239 -18.6211 -18.6211 -6.1488 -6.1488 -5.9344 -5.9344 -5.3711 -5.3711 -5.3421 -5.3421 -5.0867 -5.0867 -5.0695 -5.0695 -2.2001 -2.2001 -2.1887 -2.1887 -1.8738 -1.8738 -1.8499 -1.8499 -1.7925 -1.7925 -1.7656 -1.7656 -0.9043 -0.9043 -0.8614 -0.8614 -0.8202 -0.8202 0.1919 0.1919 0.2132 0.2132 0.2383 0.2383 0.4406 0.4406 0.5215 0.5215 0.5578 0.5578 0.9876 0.9876 1.0187 1.0187 1.0246 1.0246 5.5532 5.5532 5.5669 5.5669 5.6116 5.6116 8.9716 8.9716 9.0634 9.0634 9.1067 9.1067 11.1461 11.1461 11.2110 11.2110 k = 0.0938 0.0541 0.1531 ( 12593 PWs) bands (ev): -67.7601 -67.7601 -39.9758 -39.9758 -39.0181 -39.0181 -39.0179 -39.0179 -21.2971 -21.2971 -21.2139 -21.2139 -19.5452 -19.5452 -18.9759 -18.9759 -18.9742 -18.9742 -18.6534 -18.6534 -18.6237 -18.6237 -18.6214 -18.6214 -6.1548 -6.1548 -5.9342 -5.9342 -5.3768 -5.3768 -5.3524 -5.3524 -5.0855 -5.0855 -5.0711 -5.0711 -2.1974 -2.1974 -2.1874 -2.1874 -1.8781 -1.8781 -1.8431 -1.8431 -1.7856 -1.7856 -1.7609 -1.7609 -0.8998 -0.8998 -0.8590 -0.8590 -0.8236 -0.8236 0.1959 0.1959 0.2137 0.2137 0.2388 0.2388 0.4498 0.4498 0.5266 0.5266 0.5591 0.5591 0.9906 0.9906 1.0218 1.0218 1.0269 1.0269 5.5522 5.5522 5.5645 5.5645 5.6091 5.6091 8.9271 8.9271 9.0693 9.0693 9.1030 9.1030 11.1221 11.1221 11.1753 11.1753 k = 0.0844 0.0487 0.1378 ( 12589 PWs) bands (ev): -67.7600 -67.7600 -39.9758 -39.9758 -39.0181 -39.0181 -39.0179 -39.0179 -21.2987 -21.2987 -21.2134 -21.2134 -19.5436 -19.5436 -18.9755 -18.9755 -18.9740 -18.9740 -18.6534 -18.6534 -18.6235 -18.6235 -18.6216 -18.6216 -6.1603 -6.1603 -5.9341 -5.9341 -5.3820 -5.3820 -5.3620 -5.3620 -5.0844 -5.0844 -5.0725 -5.0725 -2.1946 -2.1946 -2.1861 -2.1861 -1.8831 -1.8831 -1.8366 -1.8366 -1.7780 -1.7780 -1.7563 -1.7563 -0.8959 -0.8959 -0.8563 -0.8563 -0.8267 -0.8267 0.1995 0.1995 0.2142 0.2142 0.2395 0.2395 0.4579 0.4579 0.5318 0.5318 0.5604 0.5604 0.9934 0.9934 1.0246 1.0246 1.0289 1.0289 5.5533 5.5533 5.5638 5.5638 5.6087 5.6087 8.8840 8.8840 9.0757 9.0757 9.1032 9.1032 11.1000 11.1000 11.1429 11.1429 k = 0.0750 0.0433 0.1225 ( 12603 PWs) bands (ev): -67.7604 -67.7604 -39.9758 -39.9758 -39.0182 -39.0182 -39.0179 -39.0179 -21.3002 -21.3002 -21.2130 -21.2130 -19.5422 -19.5422 -18.9751 -18.9751 -18.9739 -18.9739 -18.6534 -18.6534 -18.6234 -18.6234 -18.6218 -18.6218 -6.1653 -6.1653 -5.9339 -5.9339 -5.3867 -5.3867 -5.3708 -5.3708 -5.0834 -5.0834 -5.0739 -5.0739 -2.1921 -2.1921 -2.1851 -2.1851 -1.8882 -1.8882 -1.8311 -1.8311 -1.7705 -1.7705 -1.7521 -1.7521 -0.8928 -0.8928 -0.8536 -0.8536 -0.8295 -0.8295 0.2029 0.2029 0.2145 0.2145 0.2402 0.2402 0.4648 0.4648 0.5373 0.5373 0.5616 0.5616 0.9959 0.9959 1.0273 1.0273 1.0308 1.0308 5.5533 5.5533 5.5615 5.5615 5.6069 5.6069 8.8439 8.8439 9.0812 9.0812 9.1030 9.1030 11.0800 11.0800 11.1136 11.1136 k = 0.0656 0.0379 0.1072 ( 12595 PWs) bands (ev): -67.7601 -67.7601 -39.9758 -39.9758 -39.0181 -39.0181 -39.0179 -39.0179 -21.3015 -21.3015 -21.2126 -21.2126 -19.5409 -19.5409 -18.9748 -18.9748 -18.9738 -18.9738 -18.6534 -18.6534 -18.6232 -18.6232 -18.6220 -18.6220 -6.1698 -6.1698 -5.9338 -5.9338 -5.3910 -5.3910 -5.3786 -5.3786 -5.0825 -5.0825 -5.0752 -5.0752 -2.1895 -2.1895 -2.1842 -2.1842 -1.8931 -1.8931 -1.8262 -1.8262 -1.7630 -1.7630 -1.7482 -1.7482 -0.8905 -0.8905 -0.8508 -0.8508 -0.8319 -0.8319 0.2058 0.2058 0.2148 0.2148 0.2410 0.2410 0.4706 0.4706 0.5428 0.5428 0.5626 0.5626 0.9981 0.9981 1.0297 1.0297 1.0325 1.0325 5.5549 5.5549 5.5607 5.5607 5.6067 5.6067 8.8078 8.8078 9.0885 9.0885 9.1038 9.1038 11.0621 11.0621 11.0878 11.0878 k = 0.0563 0.0325 0.0919 ( 12589 PWs) bands (ev): -67.7599 -67.7599 -39.9758 -39.9758 -39.0181 -39.0181 -39.0179 -39.0179 -21.3027 -21.3027 -21.2123 -21.2123 -19.5398 -19.5398 -18.9744 -18.9744 -18.9737 -18.9737 -18.6534 -18.6534 -18.6231 -18.6231 -18.6222 -18.6222 -6.1738 -6.1738 -5.9338 -5.9338 -5.3947 -5.3947 -5.3855 -5.3855 -5.0818 -5.0818 -5.0763 -5.0763 -2.1873 -2.1873 -2.1834 -2.1834 -1.8976 -1.8976 -1.8221 -1.8221 -1.7561 -1.7561 -1.7448 -1.7448 -0.8887 -0.8887 -0.8481 -0.8481 -0.8340 -0.8340 0.2084 0.2084 0.2150 0.2150 0.2417 0.2417 0.4752 0.4752 0.5481 0.5481 0.5635 0.5635 1.0000 1.0000 1.0318 1.0318 1.0339 1.0339 5.5561 5.5561 5.5600 5.5600 5.6065 5.6065 8.7759 8.7759 9.0942 9.0942 9.1052 9.1052 11.0465 11.0465 11.0653 11.0653 k = 0.0469 0.0271 0.0765 ( 12579 PWs) bands (ev): -67.7596 -67.7596 -39.9757 -39.9757 -39.0180 -39.0180 -39.0179 -39.0179 -21.3037 -21.3037 -21.2121 -21.2121 -19.5388 -19.5388 -18.9741 -18.9741 -18.9737 -18.9737 -18.6534 -18.6534 -18.6229 -18.6229 -18.6223 -18.6223 -6.1772 -6.1772 -5.9337 -5.9337 -5.3978 -5.3978 -5.3914 -5.3914 -5.0812 -5.0812 -5.0773 -5.0773 -2.1852 -2.1852 -2.1828 -2.1828 -1.9015 -1.9015 -1.8187 -1.8187 -1.7498 -1.7498 -1.7418 -1.7418 -0.8876 -0.8876 -0.8455 -0.8455 -0.8356 -0.8356 0.2106 0.2106 0.2151 0.2151 0.2425 0.2425 0.4789 0.4789 0.5531 0.5531 0.5643 0.5643 1.0017 1.0017 1.0337 1.0337 1.0352 1.0352 5.5581 5.5581 5.5595 5.5595 5.6069 5.6069 8.7486 8.7486 9.1004 9.1004 9.1051 9.1051 11.0331 11.0331 11.0462 11.0462 k = 0.0375 0.0217 0.0612 ( 12567 PWs) bands (ev): -67.7593 -67.7593 -39.9757 -39.9757 -39.0179 -39.0179 -39.0178 -39.0178 -21.3045 -21.3045 -21.2118 -21.2118 -19.5380 -19.5380 -18.9739 -18.9739 -18.9736 -18.9736 -18.6534 -18.6534 -18.6228 -18.6228 -18.6224 -18.6224 -6.1800 -6.1800 -5.9337 -5.9337 -5.4004 -5.4004 -5.3963 -5.3963 -5.0806 -5.0806 -5.0782 -5.0782 -2.1835 -2.1835 -2.1822 -2.1822 -1.9048 -1.9048 -1.8159 -1.8159 -1.7445 -1.7445 -1.7393 -1.7393 -0.8869 -0.8869 -0.8432 -0.8432 -0.8369 -0.8369 0.2123 0.2123 0.2152 0.2152 0.2432 0.2432 0.4817 0.4817 0.5575 0.5575 0.5650 0.5650 1.0031 1.0031 1.0352 1.0352 1.0362 1.0362 5.5589 5.5589 5.5599 5.5599 5.6074 5.6074 8.7260 8.7260 9.1052 9.1052 9.1067 9.1067 11.0221 11.0221 11.0306 11.0306 k = 0.0281 0.0162 0.0459 ( 12583 PWs) bands (ev): -67.7598 -67.7598 -39.9758 -39.9758 -39.0180 -39.0180 -39.0179 -39.0179 -21.3052 -21.3052 -21.2117 -21.2117 -19.5373 -19.5373 -18.9737 -18.9737 -18.9736 -18.9736 -18.6534 -18.6534 -18.6228 -18.6228 -18.6225 -18.6225 -6.1822 -6.1822 -5.9337 -5.9337 -5.4024 -5.4024 -5.4001 -5.4001 -5.0802 -5.0802 -5.0788 -5.0788 -2.1825 -2.1825 -2.1818 -2.1818 -1.9075 -1.9075 -1.8140 -1.8140 -1.7404 -1.7404 -1.7375 -1.7375 -0.8865 -0.8865 -0.8414 -0.8414 -0.8378 -0.8378 0.2137 0.2137 0.2153 0.2153 0.2439 0.2439 0.4838 0.4838 0.5612 0.5612 0.5655 0.5655 1.0041 1.0041 1.0365 1.0365 1.0370 1.0370 5.5575 5.5575 5.5588 5.5588 5.6061 5.6061 8.7083 8.7083 9.1063 9.1063 9.1069 9.1069 11.0136 11.0136 11.0183 11.0183 k = 0.0187 0.0108 0.0306 ( 12613 PWs) bands (ev): -67.7607 -67.7607 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.3056 -21.3056 -21.2115 -21.2115 -19.5369 -19.5369 -18.9736 -18.9736 -18.9735 -18.9735 -18.6534 -18.6534 -18.6227 -18.6227 -18.6226 -18.6226 -6.1838 -6.1838 -5.9337 -5.9337 -5.4039 -5.4039 -5.4029 -5.4029 -5.0799 -5.0799 -5.0793 -5.0793 -2.1821 -2.1821 -2.1818 -2.1818 -1.9094 -1.9094 -1.8128 -1.8128 -1.7376 -1.7376 -1.7362 -1.7362 -0.8863 -0.8863 -0.8400 -0.8400 -0.8384 -0.8384 0.2146 0.2146 0.2153 0.2153 0.2443 0.2443 0.4852 0.4852 0.5639 0.5639 0.5658 0.5658 1.0049 1.0049 1.0373 1.0373 1.0376 1.0376 5.5557 5.5557 5.5566 5.5566 5.6040 5.6040 8.6956 8.6956 9.1053 9.1053 9.1056 9.1056 11.0074 11.0074 11.0095 11.0095 k = 0.0094 0.0054 0.0153 ( 12627 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.3059 -21.3059 -21.2115 -21.2115 -19.5366 -19.5366 -18.9735 -18.9735 -18.9735 -18.9735 -18.6534 -18.6534 -18.6227 -18.6227 -18.6226 -18.6226 -6.1848 -6.1848 -5.9337 -5.9337 -5.4048 -5.4048 -5.4045 -5.4045 -5.0798 -5.0798 -5.0796 -5.0796 -2.1819 -2.1819 -2.1817 -2.1817 -1.9106 -1.9106 -1.8120 -1.8120 -1.7358 -1.7358 -1.7355 -1.7355 -0.8862 -0.8862 -0.8392 -0.8392 -0.8388 -0.8388 0.2152 0.2152 0.2153 0.2153 0.2447 0.2447 0.4860 0.4860 0.5656 0.5656 0.5661 0.5661 1.0053 1.0053 1.0379 1.0379 1.0380 1.0380 5.5553 5.5553 5.5554 5.5554 5.6031 5.6031 8.6880 8.6880 9.1045 9.1045 9.1049 9.1049 11.0036 11.0036 11.0042 11.0042 k = 0.0000 0.0000 0.0000 ( 12627 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.3060 -21.3060 -21.2115 -21.2115 -19.5365 -19.5365 -18.9735 -18.9735 -18.9735 -18.9735 -18.6534 -18.6534 -18.6227 -18.6227 -18.6227 -18.6227 -6.1851 -6.1851 -5.9337 -5.9337 -5.4051 -5.4051 -5.4051 -5.4051 -5.0797 -5.0797 -5.0797 -5.0797 -2.1817 -2.1817 -2.1817 -2.1817 -1.9110 -1.9110 -1.8117 -1.8117 -1.7352 -1.7352 -1.7352 -1.7352 -0.8862 -0.8862 -0.8389 -0.8389 -0.8389 -0.8389 0.2153 0.2153 0.2153 0.2153 0.2448 0.2448 0.4863 0.4863 0.5661 0.5661 0.5661 0.5661 1.0055 1.0055 1.0381 1.0381 1.0381 1.0381 5.5553 5.5553 5.5553 5.5553 5.6031 5.6031 8.6854 8.6854 9.1050 9.1050 9.1050 9.1050 11.0024 11.0024 11.0024 11.0024 k = 0.0000 0.0000 0.0000 ( 12627 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.3060 -21.3060 -21.2115 -21.2115 -19.5365 -19.5365 -18.9735 -18.9735 -18.9735 -18.9735 -18.6534 -18.6534 -18.6227 -18.6227 -18.6227 -18.6227 -6.1851 -6.1851 -5.9337 -5.9337 -5.4051 -5.4051 -5.4051 -5.4051 -5.0797 -5.0797 -5.0797 -5.0797 -2.1817 -2.1817 -2.1817 -2.1817 -1.9110 -1.9110 -1.8117 -1.8117 -1.7352 -1.7352 -1.7352 -1.7352 -0.8862 -0.8862 -0.8389 -0.8389 -0.8389 -0.8389 0.2153 0.2153 0.2153 0.2153 0.2448 0.2448 0.4863 0.4863 0.5661 0.5661 0.5661 0.5661 1.0055 1.0055 1.0381 1.0381 1.0381 1.0381 5.5553 5.5553 5.5553 5.5553 5.6031 5.6031 8.6854 8.6854 9.1050 9.1050 9.1050 9.1050 11.0024 11.0024 11.0024 11.0024 k = 0.0156 0.0090 0.0064 ( 12627 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.3059 -21.3059 -21.2115 -21.2115 -19.5366 -19.5366 -18.9735 -18.9735 -18.9735 -18.9735 -18.6534 -18.6534 -18.6227 -18.6227 -18.6226 -18.6226 -6.1848 -6.1848 -5.9337 -5.9337 -5.4048 -5.4048 -5.4045 -5.4045 -5.0798 -5.0798 -5.0796 -5.0796 -2.1818 -2.1818 -2.1818 -2.1818 -1.9106 -1.9106 -1.8120 -1.8120 -1.7359 -1.7359 -1.7355 -1.7355 -0.8862 -0.8862 -0.8392 -0.8392 -0.8387 -0.8387 0.2151 0.2151 0.2153 0.2153 0.2446 0.2446 0.4860 0.4860 0.5655 0.5655 0.5661 0.5661 1.0053 1.0053 1.0379 1.0379 1.0379 1.0379 5.5553 5.5553 5.5554 5.5554 5.6031 5.6031 8.6881 8.6881 9.1047 9.1047 9.1047 9.1047 11.0039 11.0039 11.0040 11.0040 k = 0.0312 0.0180 0.0128 ( 12606 PWs) bands (ev): -67.7605 -67.7605 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.3056 -21.3056 -21.2116 -21.2116 -19.5369 -19.5369 -18.9736 -18.9736 -18.9736 -18.9736 -18.6534 -18.6534 -18.6227 -18.6227 -18.6226 -18.6226 -6.1838 -6.1838 -5.9337 -5.9337 -5.4038 -5.4038 -5.4028 -5.4028 -5.0800 -5.0800 -5.0793 -5.0793 -2.1820 -2.1820 -2.1819 -2.1819 -1.9093 -1.9093 -1.8127 -1.8127 -1.7377 -1.7377 -1.7362 -1.7362 -0.8863 -0.8863 -0.8402 -0.8402 -0.8383 -0.8383 0.2146 0.2146 0.2153 0.2153 0.2443 0.2443 0.4852 0.4852 0.5637 0.5637 0.5659 0.5659 1.0049 1.0049 1.0374 1.0374 1.0375 1.0375 5.5566 5.5566 5.5570 5.5570 5.6046 5.6046 8.6961 8.6961 9.1056 9.1056 9.1056 9.1056 11.0086 11.0086 11.0087 11.0087 k = 0.0469 0.0271 0.0191 ( 12570 PWs) bands (ev): -67.7594 -67.7594 -39.9757 -39.9757 -39.0180 -39.0180 -39.0178 -39.0178 -21.3051 -21.3051 -21.2117 -21.2117 -19.5374 -19.5374 -18.9736 -18.9736 -18.9736 -18.9736 -18.6534 -18.6534 -18.6228 -18.6228 -18.6225 -18.6225 -6.1821 -6.1821 -5.9337 -5.9337 -5.4023 -5.4023 -5.4000 -5.4000 -5.0803 -5.0803 -5.0788 -5.0788 -2.1820 -2.1820 -2.1819 -2.1819 -1.9073 -1.9073 -1.8140 -1.8140 -1.7407 -1.7407 -1.7373 -1.7373 -0.8865 -0.8865 -0.8416 -0.8416 -0.8375 -0.8375 0.2136 0.2136 0.2153 0.2153 0.2438 0.2438 0.4837 0.4837 0.5608 0.5608 0.5656 0.5656 1.0041 1.0041 1.0366 1.0366 1.0368 1.0368 5.5586 5.5586 5.5591 5.5591 5.6068 5.6068 8.7093 8.7093 9.1078 9.1078 9.1078 9.1078 11.0164 11.0164 11.0166 11.0166 k = 0.0625 0.0361 0.0255 ( 12570 PWs) bands (ev): -67.7594 -67.7594 -39.9757 -39.9757 -39.0180 -39.0180 -39.0178 -39.0178 -21.3044 -21.3044 -21.2119 -21.2119 -19.5380 -19.5380 -18.9738 -18.9738 -18.9738 -18.9738 -18.6534 -18.6534 -18.6228 -18.6228 -18.6224 -18.6224 -6.1798 -6.1798 -5.9337 -5.9337 -5.4002 -5.4002 -5.3960 -5.3960 -5.0807 -5.0807 -5.0781 -5.0781 -2.1829 -2.1829 -2.1827 -2.1827 -1.9046 -1.9046 -1.8162 -1.8162 -1.7452 -1.7452 -1.7392 -1.7392 -0.8871 -0.8871 -0.8435 -0.8435 -0.8365 -0.8365 0.2122 0.2122 0.2151 0.2151 0.2432 0.2432 0.4815 0.4815 0.5569 0.5569 0.5653 0.5653 1.0030 1.0030 1.0355 1.0355 1.0358 1.0358 5.5585 5.5585 5.5591 5.5591 5.6068 5.6068 8.7277 8.7277 9.1063 9.1063 9.1063 9.1063 11.0272 11.0272 11.0276 11.0276 k = 0.0781 0.0451 0.0319 ( 12576 PWs) bands (ev): -67.7595 -67.7595 -39.9757 -39.9757 -39.0180 -39.0180 -39.0178 -39.0178 -21.3036 -21.3036 -21.2121 -21.2121 -19.5389 -19.5389 -18.9739 -18.9739 -18.9739 -18.9739 -18.6534 -18.6534 -18.6230 -18.6230 -18.6223 -18.6223 -6.1769 -6.1769 -5.9338 -5.9338 -5.3974 -5.3974 -5.3910 -5.3910 -5.0812 -5.0812 -5.0773 -5.0773 -2.1841 -2.1841 -2.1838 -2.1838 -1.9012 -1.9012 -1.8190 -1.8190 -1.7509 -1.7509 -1.7416 -1.7416 -0.8882 -0.8882 -0.8455 -0.8455 -0.8352 -0.8352 0.2105 0.2105 0.2148 0.2148 0.2426 0.2426 0.4784 0.4784 0.5522 0.5522 0.5648 0.5648 1.0016 1.0016 1.0340 1.0340 1.0345 1.0345 5.5565 5.5565 5.5602 5.5602 5.6067 5.6067 8.7513 8.7513 9.1037 9.1037 9.1037 9.1037 11.0410 11.0410 11.0416 11.0416 k = 0.0938 0.0541 0.0383 ( 12594 PWs) bands (ev): -67.7601 -67.7601 -39.9758 -39.9758 -39.0181 -39.0181 -39.0180 -39.0180 -21.3025 -21.3025 -21.2124 -21.2124 -19.5399 -19.5399 -18.9741 -18.9741 -18.9741 -18.9741 -18.6534 -18.6534 -18.6231 -18.6231 -18.6221 -18.6221 -6.1733 -6.1733 -5.9338 -5.9338 -5.3941 -5.3941 -5.3849 -5.3849 -5.0819 -5.0819 -5.0762 -5.0762 -2.1856 -2.1856 -2.1853 -2.1853 -1.8973 -1.8973 -1.8226 -1.8226 -1.7575 -1.7575 -1.7445 -1.7445 -0.8901 -0.8901 -0.8473 -0.8473 -0.8336 -0.8336 0.2084 0.2084 0.2143 0.2143 0.2420 0.2420 0.4744 0.4744 0.5470 0.5470 0.5643 0.5643 0.9999 0.9999 1.0322 1.0322 1.0330 1.0330 5.5543 5.5543 5.5603 5.5603 5.6061 5.6061 8.7800 8.7800 9.0994 9.0994 9.0994 9.0994 11.0578 11.0578 11.0586 11.0586 k = 0.1094 0.0631 0.0447 ( 12591 PWs) bands (ev): -67.7600 -67.7600 -39.9758 -39.9758 -39.0181 -39.0181 -39.0179 -39.0179 -21.3013 -21.3013 -21.2127 -21.2127 -19.5411 -19.5411 -18.9743 -18.9743 -18.9743 -18.9743 -18.6534 -18.6534 -18.6232 -18.6232 -18.6219 -18.6219 -6.1692 -6.1692 -5.9339 -5.9339 -5.3902 -5.3902 -5.3778 -5.3778 -5.0827 -5.0827 -5.0750 -5.0750 -2.1872 -2.1872 -2.1867 -2.1867 -1.8930 -1.8930 -1.8266 -1.8266 -1.7646 -1.7646 -1.7478 -1.7478 -0.8932 -0.8932 -0.8486 -0.8486 -0.8318 -0.8318 0.2060 0.2060 0.2134 0.2134 0.2416 0.2416 0.4692 0.4692 0.5415 0.5415 0.5637 0.5637 0.9979 0.9979 1.0302 1.0302 1.0313 1.0313 5.5543 5.5543 5.5612 5.5612 5.6068 5.6068 8.8135 8.8135 9.0963 9.0963 9.0964 9.0964 11.0776 11.0776 11.0787 11.0787 k = 0.1250 0.0722 0.0510 ( 12597 PWs) bands (ev): -67.7602 -67.7602 -39.9758 -39.9758 -39.0181 -39.0181 -39.0180 -39.0180 -21.3000 -21.3000 -21.2131 -21.2131 -19.5424 -19.5424 -18.9746 -18.9746 -18.9746 -18.9746 -18.6534 -18.6534 -18.6234 -18.6234 -18.6217 -18.6217 -6.1645 -6.1645 -5.9340 -5.9340 -5.3858 -5.3858 -5.3697 -5.3697 -5.0837 -5.0837 -5.0737 -5.0737 -2.1891 -2.1891 -2.1884 -2.1884 -1.8887 -1.8887 -1.8311 -1.8311 -1.7721 -1.7721 -1.7516 -1.7516 -0.8975 -0.8975 -0.8492 -0.8492 -0.8297 -0.8297 0.2034 0.2034 0.2121 0.2121 0.2415 0.2415 0.4625 0.4625 0.5361 0.5361 0.5630 0.5630 0.9957 0.9957 1.0279 1.0279 1.0293 1.0293 5.5540 5.5540 5.5616 5.5616 5.6072 5.6072 8.8519 8.8519 9.0917 9.0917 9.0918 9.0918 11.1003 11.1003 11.1017 11.1017 k = 0.1406 0.0812 0.0574 ( 12588 PWs) bands (ev): -67.7599 -67.7599 -39.9758 -39.9758 -39.0180 -39.0180 -39.0179 -39.0179 -21.2984 -21.2984 -21.2135 -21.2135 -19.5438 -19.5438 -18.9748 -18.9748 -18.9748 -18.9748 -18.6534 -18.6534 -18.6236 -18.6236 -18.6215 -18.6215 -6.1593 -6.1593 -5.9342 -5.9342 -5.3808 -5.3808 -5.3607 -5.3607 -5.0848 -5.0848 -5.0723 -5.0723 -2.1911 -2.1911 -2.1903 -2.1903 -1.8850 -1.8850 -1.8354 -1.8354 -1.7797 -1.7797 -1.7558 -1.7558 -0.9032 -0.9032 -0.8489 -0.8489 -0.8275 -0.8275 0.2004 0.2004 0.2104 0.2104 0.2416 0.2416 0.4544 0.4544 0.5311 0.5311 0.5623 0.5623 0.9932 0.9932 1.0253 1.0253 1.0271 1.0271 5.5559 5.5559 5.5627 5.5627 5.6088 5.6088 8.8949 8.8949 9.0874 9.0874 9.0875 9.0875 11.1259 11.1259 11.1277 11.1277 k = 0.1562 0.0902 0.0638 ( 12597 PWs) bands (ev): -67.7602 -67.7602 -39.9758 -39.9758 -39.0181 -39.0181 -39.0180 -39.0180 -21.2967 -21.2967 -21.2140 -21.2140 -19.5454 -19.5454 -18.9751 -18.9751 -18.9751 -18.9751 -18.6534 -18.6534 -18.6238 -18.6238 -18.6213 -18.6213 -6.1536 -6.1536 -5.9344 -5.9344 -5.3754 -5.3754 -5.3508 -5.3508 -5.0861 -5.0861 -5.0707 -5.0707 -2.1933 -2.1933 -2.1923 -2.1923 -1.8833 -1.8833 -1.8389 -1.8389 -1.7875 -1.7875 -1.7604 -1.7604 -0.9101 -0.9101 -0.8479 -0.8479 -0.8250 -0.8250 0.1972 0.1972 0.2081 0.2081 0.2422 0.2422 0.4446 0.4446 0.5265 0.5265 0.5616 0.5616 0.9905 0.9905 1.0225 1.0225 1.0248 1.0248 5.5546 5.5546 5.5630 5.5630 5.6087 5.6087 8.9424 8.9424 9.0826 9.0826 9.0827 9.0827 11.1543 11.1543 11.1565 11.1565 k = 0.1719 0.0992 0.0702 ( 12585 PWs) bands (ev): -67.7599 -67.7599 -39.9758 -39.9758 -39.0180 -39.0180 -39.0179 -39.0179 -21.2949 -21.2949 -21.2146 -21.2146 -19.5471 -19.5471 -18.9754 -18.9754 -18.9754 -18.9754 -18.6534 -18.6534 -18.6239 -18.6239 -18.6210 -18.6210 -6.1474 -6.1474 -5.9347 -5.9347 -5.3695 -5.3695 -5.3401 -5.3401 -5.0876 -5.0876 -5.0691 -5.0691 -2.1954 -2.1954 -2.1943 -2.1943 -1.8853 -1.8853 -1.8395 -1.8395 -1.7947 -1.7947 -1.7652 -1.7652 -0.9180 -0.9180 -0.8463 -0.8463 -0.8225 -0.8225 0.1939 0.1939 0.2055 0.2055 0.2431 0.2431 0.4334 0.4334 0.5225 0.5225 0.5609 0.5609 0.9876 0.9876 1.0194 1.0194 1.0222 1.0222 5.5553 5.5553 5.5646 5.5646 5.6103 5.6103 8.9941 8.9941 9.0788 9.0788 9.0789 9.0789 11.1855 11.1855 11.1882 11.1882 k = 0.1875 0.1083 0.0765 ( 12603 PWs) bands (ev): -67.7604 -67.7604 -39.9758 -39.9758 -39.0181 -39.0181 -39.0180 -39.0180 -21.2929 -21.2929 -21.2152 -21.2152 -19.5489 -19.5489 -18.9757 -18.9757 -18.9757 -18.9757 -18.6535 -18.6535 -18.6241 -18.6241 -18.6207 -18.6207 -6.1408 -6.1408 -5.9351 -5.9351 -5.3632 -5.3632 -5.3287 -5.3287 -5.0893 -5.0893 -5.0675 -5.0675 -2.1979 -2.1979 -2.1966 -2.1966 -1.8920 -1.8920 -1.8369 -1.8369 -1.8016 -1.8016 -1.7704 -1.7704 -0.9268 -0.9268 -0.8442 -0.8442 -0.8198 -0.8198 0.1904 0.1904 0.2025 0.2025 0.2443 0.2443 0.4208 0.4208 0.5191 0.5191 0.5602 0.5602 0.9844 0.9844 1.0162 1.0162 1.0196 1.0196 5.5520 5.5520 5.5644 5.5644 5.6094 5.6094 9.0499 9.0499 9.0737 9.0737 9.0738 9.0738 11.2194 11.2194 11.2226 11.2226 k = 0.2031 0.1173 0.0829 ( 12612 PWs) bands (ev): -67.7607 -67.7607 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2908 -21.2908 -21.2159 -21.2159 -19.5508 -19.5508 -18.9761 -18.9761 -18.9761 -18.9761 -18.6535 -18.6535 -18.6243 -18.6243 -18.6205 -18.6205 -6.1339 -6.1339 -5.9356 -5.9356 -5.3564 -5.3564 -5.3167 -5.3167 -5.0911 -5.0911 -5.0658 -5.0658 -2.2005 -2.2005 -2.1990 -2.1990 -1.9023 -1.9023 -1.8318 -1.8318 -1.8076 -1.8076 -1.7758 -1.7758 -0.9363 -0.9363 -0.8418 -0.8418 -0.8170 -0.8170 0.1867 0.1867 0.1991 0.1991 0.2457 0.2457 0.4071 0.4071 0.5162 0.5162 0.5595 0.5595 0.9811 0.9811 1.0128 1.0128 1.0168 1.0168 5.5503 5.5503 5.5653 5.5653 5.6099 5.6099 9.0678 9.0678 9.0680 9.0680 9.1097 9.1097 11.2559 11.2559 11.2596 11.2596 k = 0.2188 0.1263 0.0893 ( 12609 PWs) bands (ev): -67.7607 -67.7607 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2886 -21.2886 -21.2167 -21.2167 -19.5528 -19.5528 -18.9764 -18.9764 -18.9764 -18.9764 -18.6536 -18.6536 -18.6245 -18.6245 -18.6202 -18.6202 -6.1267 -6.1267 -5.9362 -5.9362 -5.3493 -5.3493 -5.3041 -5.3041 -5.0932 -5.0932 -5.0642 -5.0642 -2.2031 -2.2031 -2.2015 -2.2015 -1.9151 -1.9151 -1.8262 -1.8262 -1.8117 -1.8117 -1.7812 -1.7812 -0.9463 -0.9463 -0.8390 -0.8390 -0.8142 -0.8142 0.1830 0.1830 0.1956 0.1956 0.2474 0.2474 0.3925 0.3925 0.5137 0.5137 0.5588 0.5588 0.9776 0.9776 1.0092 1.0092 1.0139 1.0139 5.5498 5.5498 5.5669 5.5669 5.6112 5.6112 9.0625 9.0625 9.0627 9.0627 9.1730 9.1730 11.2949 11.2949 11.2991 11.2991 k = 0.2344 0.1353 0.0957 ( 12618 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2864 -21.2864 -21.2175 -21.2175 -19.5547 -19.5547 -18.9768 -18.9768 -18.9767 -18.9767 -18.6536 -18.6536 -18.6246 -18.6246 -18.6199 -18.6199 -6.1192 -6.1192 -5.9369 -5.9369 -5.3419 -5.3419 -5.2910 -5.2910 -5.0954 -5.0954 -5.0626 -5.0626 -2.2057 -2.2057 -2.2039 -2.2039 -1.9296 -1.9296 -1.8250 -1.8250 -1.8103 -1.8103 -1.7870 -1.7870 -0.9566 -0.9566 -0.8361 -0.8361 -0.8113 -0.8113 0.1792 0.1792 0.1918 0.1918 0.2492 0.2492 0.3773 0.3773 0.5116 0.5116 0.5582 0.5582 0.9741 0.9741 1.0055 1.0055 1.0110 1.0110 5.5477 5.5477 5.5672 5.5672 5.6112 5.6112 9.0573 9.0573 9.0575 9.0575 9.2396 9.2396 11.3363 11.3363 11.3411 11.3411 k = 0.2500 0.1443 0.1021 ( 12605 PWs) bands (ev): -67.7606 -67.7606 -39.9759 -39.9759 -39.0181 -39.0181 -39.0180 -39.0180 -21.2840 -21.2840 -21.2184 -21.2184 -19.5567 -19.5567 -18.9771 -18.9771 -18.9771 -18.9771 -18.6537 -18.6537 -18.6248 -18.6248 -18.6196 -18.6196 -6.1114 -6.1114 -5.9378 -5.9378 -5.3342 -5.3342 -5.2775 -5.2775 -5.0979 -5.0979 -5.0611 -5.0611 -2.2083 -2.2083 -2.2064 -2.2064 -1.9449 -1.9449 -1.8285 -1.8285 -1.8030 -1.8030 -1.7926 -1.7926 -0.9672 -0.9672 -0.8331 -0.8331 -0.8084 -0.8084 0.1754 0.1754 0.1880 0.1880 0.2512 0.2512 0.3616 0.3616 0.5098 0.5098 0.5576 0.5576 0.9704 0.9704 1.0018 1.0018 1.0080 1.0080 5.5489 5.5489 5.5691 5.5691 5.6132 5.6132 9.0526 9.0526 9.0528 9.0528 9.3094 9.3094 11.3801 11.3801 11.3855 11.3855 k = 0.2656 0.1534 0.1084 ( 12617 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2815 -21.2815 -21.2193 -21.2193 -19.5587 -19.5587 -18.9775 -18.9775 -18.9774 -18.9774 -18.6538 -18.6538 -18.6249 -18.6249 -18.6193 -18.6193 -6.1035 -6.1035 -5.9388 -5.9388 -5.3262 -5.3262 -5.2637 -5.2637 -5.1006 -5.1006 -5.0597 -5.0597 -2.2112 -2.2112 -2.2091 -2.2091 -1.9610 -1.9610 -1.8331 -1.8331 -1.7984 -1.7984 -1.7941 -1.7941 -0.9779 -0.9779 -0.8300 -0.8300 -0.8056 -0.8056 0.1716 0.1716 0.1841 0.1841 0.2532 0.2532 0.3458 0.3458 0.5083 0.5083 0.5571 0.5571 0.9667 0.9667 0.9980 0.9980 1.0050 1.0050 5.5486 5.5486 5.5694 5.5694 5.6136 5.6136 9.0457 9.0457 9.0459 9.0459 9.3820 9.3820 11.4259 11.4259 11.4320 11.4320 k = 0.2812 0.1624 0.1148 ( 12617 PWs) bands (ev): -67.7610 -67.7610 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2790 -21.2790 -21.2203 -21.2203 -19.5607 -19.5607 -18.9778 -18.9778 -18.9778 -18.9778 -18.6539 -18.6539 -18.6251 -18.6251 -18.6190 -18.6190 -6.0955 -6.0955 -5.9401 -5.9401 -5.3180 -5.3180 -5.2498 -5.2498 -5.1036 -5.1036 -5.0586 -5.0586 -2.2139 -2.2139 -2.2117 -2.2117 -1.9776 -1.9776 -1.8378 -1.8378 -1.8040 -1.8040 -1.7847 -1.7847 -0.9885 -0.9885 -0.8269 -0.8269 -0.8027 -0.8027 0.1679 0.1679 0.1803 0.1803 0.2553 0.2553 0.3299 0.3299 0.5070 0.5070 0.5566 0.5566 0.9630 0.9630 0.9942 0.9942 1.0021 1.0021 5.5478 5.5478 5.5709 5.5709 5.6149 5.6149 9.0402 9.0402 9.0404 9.0404 9.4571 9.4571 11.4739 11.4739 11.4806 11.4806 k = 0.2969 0.1714 0.1212 ( 12623 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2764 -21.2764 -21.2214 -21.2214 -19.5627 -19.5627 -18.9782 -18.9782 -18.9781 -18.9781 -18.6541 -18.6541 -18.6252 -18.6252 -18.6187 -18.6187 -6.0874 -6.0874 -5.9415 -5.9415 -5.3097 -5.3097 -5.2357 -5.2357 -5.1068 -5.1068 -5.0576 -5.0576 -2.2165 -2.2165 -2.2142 -2.2142 -1.9942 -1.9942 -1.8423 -1.8423 -1.8096 -1.8096 -1.7751 -1.7751 -0.9990 -0.9990 -0.8239 -0.8239 -0.8000 -0.8000 0.1643 0.1643 0.1764 0.1764 0.2573 0.2573 0.3143 0.3143 0.5059 0.5059 0.5563 0.5563 0.9593 0.9593 0.9904 0.9904 0.9992 0.9992 5.5466 5.5466 5.5716 5.5716 5.6155 5.6155 9.0348 9.0348 9.0350 9.0350 9.5343 9.5343 11.5082 11.5082 11.5243 11.5243 k = 0.3125 0.1804 0.1276 ( 12632 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2738 -21.2738 -21.2226 -21.2226 -19.5646 -19.5646 -18.9785 -18.9785 -18.9785 -18.9785 -18.6542 -18.6542 -18.6253 -18.6253 -18.6184 -18.6184 -6.0792 -6.0792 -5.9432 -5.9432 -5.3013 -5.3013 -5.2217 -5.2217 -5.1102 -5.1102 -5.0569 -5.0569 -2.2193 -2.2193 -2.2168 -2.2168 -2.0108 -2.0108 -1.8466 -1.8466 -1.8150 -1.8150 -1.7656 -1.7656 -1.0092 -1.0092 -0.8209 -0.8209 -0.7974 -0.7974 0.1608 0.1608 0.1727 0.1727 0.2593 0.2593 0.2990 0.2990 0.5049 0.5049 0.5560 0.5560 0.9556 0.9556 0.9867 0.9867 0.9963 0.9963 5.5451 5.5451 5.5727 5.5727 5.6163 5.6163 9.0290 9.0290 9.0292 9.0292 9.6134 9.6134 11.4708 11.4708 11.5756 11.5756 k = 0.3281 0.1894 0.1340 ( 12650 PWs) bands (ev): -67.7620 -67.7620 -39.9761 -39.9761 -39.0184 -39.0184 -39.0182 -39.0182 -21.2712 -21.2712 -21.2239 -21.2239 -19.5664 -19.5664 -18.9788 -18.9788 -18.9788 -18.9788 -18.6543 -18.6543 -18.6254 -18.6254 -18.6181 -18.6181 -6.0711 -6.0711 -5.9451 -5.9451 -5.2929 -5.2929 -5.2078 -5.2078 -5.1139 -5.1139 -5.0566 -5.0566 -2.2219 -2.2219 -2.2194 -2.2194 -2.0269 -2.0269 -1.8509 -1.8509 -1.8203 -1.8203 -1.7563 -1.7563 -1.0190 -1.0190 -0.8181 -0.8181 -0.7949 -0.7949 0.1574 0.1574 0.1691 0.1691 0.2612 0.2612 0.2844 0.2844 0.5042 0.5042 0.5558 0.5558 0.9521 0.9521 0.9831 0.9831 0.9936 0.9936 5.5439 5.5439 5.5723 5.5723 5.6160 5.6160 9.0228 9.0228 9.0230 9.0230 9.6939 9.6939 11.4303 11.4303 11.6287 11.6287 k = 0.3438 0.1985 0.1403 ( 12650 PWs) bands (ev): -67.7620 -67.7620 -39.9761 -39.9761 -39.0184 -39.0184 -39.0182 -39.0182 -21.2686 -21.2686 -21.2252 -21.2252 -19.5682 -19.5682 -18.9791 -18.9791 -18.9791 -18.9791 -18.6544 -18.6544 -18.6255 -18.6255 -18.6179 -18.6179 -6.0630 -6.0630 -5.9472 -5.9472 -5.2844 -5.2844 -5.1942 -5.1942 -5.1177 -5.1177 -5.0566 -5.0566 -2.2241 -2.2241 -2.2214 -2.2214 -2.0423 -2.0423 -1.8548 -1.8548 -1.8253 -1.8253 -1.7473 -1.7473 -1.0284 -1.0284 -0.8154 -0.8154 -0.7925 -0.7925 0.1543 0.1543 0.1657 0.1657 0.2623 0.2623 0.2711 0.2711 0.5035 0.5035 0.5556 0.5556 0.9487 0.9487 0.9796 0.9796 0.9910 0.9910 5.5430 5.5430 5.5727 5.5727 5.6164 5.6164 9.0192 9.0192 9.0195 9.0195 9.7754 9.7754 11.3870 11.3870 11.6832 11.6832 k = 0.3594 0.2075 0.1467 ( 12647 PWs) bands (ev): -67.7619 -67.7619 -39.9760 -39.9760 -39.0184 -39.0184 -39.0182 -39.0182 -21.2660 -21.2660 -21.2266 -21.2266 -19.5698 -19.5698 -18.9794 -18.9794 -18.9794 -18.9794 -18.6546 -18.6546 -18.6255 -18.6255 -18.6177 -18.6177 -6.0551 -6.0551 -5.9497 -5.9497 -5.2761 -5.2761 -5.1808 -5.1808 -5.1218 -5.1218 -5.0570 -5.0570 -2.2263 -2.2263 -2.2235 -2.2235 -2.0569 -2.0569 -1.8584 -1.8584 -1.8299 -1.8299 -1.7387 -1.7387 -1.0372 -1.0372 -0.8129 -0.8129 -0.7903 -0.7903 0.1514 0.1514 0.1625 0.1625 0.2557 0.2557 0.2664 0.2664 0.5030 0.5030 0.5555 0.5555 0.9455 0.9455 0.9763 0.9763 0.9886 0.9886 5.5429 5.5429 5.5737 5.5737 5.6174 5.6174 9.0154 9.0154 9.0156 9.0156 9.8575 9.8575 11.3409 11.3409 11.7389 11.7389 k = 0.3750 0.2165 0.1531 ( 12641 PWs) bands (ev): -67.7617 -67.7617 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2633 -21.2633 -21.2281 -21.2281 -19.5713 -19.5713 -18.9796 -18.9796 -18.9796 -18.9796 -18.6547 -18.6547 -18.6256 -18.6256 -18.6174 -18.6174 -6.0473 -6.0473 -5.9523 -5.9523 -5.2679 -5.2679 -5.1679 -5.1679 -5.1260 -5.1260 -5.0579 -5.0579 -2.2283 -2.2283 -2.2254 -2.2254 -2.0705 -2.0705 -1.8615 -1.8615 -1.8340 -1.8340 -1.7307 -1.7307 -1.0453 -1.0453 -0.8105 -0.8105 -0.7883 -0.7883 0.1487 0.1487 0.1595 0.1595 0.2440 0.2440 0.2676 0.2676 0.5025 0.5025 0.5554 0.5554 0.9425 0.9425 0.9733 0.9733 0.9863 0.9863 5.5430 5.5430 5.5752 5.5752 5.6189 5.6189 9.0117 9.0117 9.0119 9.0119 9.9395 9.9395 11.2923 11.2923 11.7955 11.7955 k = 0.3906 0.2255 0.1595 ( 12644 PWs) bands (ev): -67.7618 -67.7618 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2607 -21.2607 -21.2297 -21.2297 -19.5726 -19.5726 -18.9799 -18.9799 -18.9799 -18.9799 -18.6548 -18.6548 -18.6256 -18.6256 -18.6172 -18.6172 -6.0397 -6.0397 -5.9553 -5.9553 -5.2599 -5.2599 -5.1555 -5.1555 -5.1304 -5.1304 -5.0594 -5.0594 -2.2302 -2.2302 -2.2272 -2.2272 -2.0830 -2.0830 -1.8645 -1.8645 -1.8379 -1.8379 -1.7233 -1.7233 -1.0527 -1.0527 -0.8084 -0.8084 -0.7865 -0.7865 0.1463 0.1463 0.1567 0.1567 0.2330 0.2330 0.2690 0.2690 0.5022 0.5022 0.5554 0.5554 0.9397 0.9397 0.9705 0.9705 0.9843 0.9843 5.5422 5.5422 5.5757 5.5757 5.6193 5.6193 9.0083 9.0083 9.0085 9.0085 10.0208 10.0208 11.2413 11.2413 11.8525 11.8525 k = 0.4062 0.2345 0.1659 ( 12644 PWs) bands (ev): -67.7618 -67.7618 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2582 -21.2582 -21.2313 -21.2313 -19.5739 -19.5739 -18.9801 -18.9801 -18.9801 -18.9801 -18.6549 -18.6549 -18.6257 -18.6257 -18.6171 -18.6171 -6.0324 -6.0324 -5.9585 -5.9585 -5.2523 -5.2523 -5.1437 -5.1437 -5.1348 -5.1348 -5.0614 -5.0614 -2.2318 -2.2318 -2.2288 -2.2288 -2.0944 -2.0944 -1.8670 -1.8670 -1.8412 -1.8412 -1.7168 -1.7168 -1.0592 -1.0592 -0.8065 -0.8065 -0.7849 -0.7849 0.1441 0.1441 0.1543 0.1543 0.2232 0.2232 0.2704 0.2704 0.5019 0.5019 0.5554 0.5554 0.9373 0.9373 0.9680 0.9680 0.9825 0.9825 5.5400 5.5400 5.5777 5.5777 5.6209 5.6209 9.0051 9.0051 9.0053 9.0053 10.1004 10.1004 11.1886 11.1886 11.9095 11.9095 k = 0.4219 0.2436 0.1722 ( 12644 PWs) bands (ev): -67.7618 -67.7618 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2557 -21.2557 -21.2330 -21.2330 -19.5749 -19.5749 -18.9803 -18.9803 -18.9802 -18.9802 -18.6550 -18.6550 -18.6257 -18.6257 -18.6169 -18.6169 -6.0255 -6.0255 -5.9619 -5.9619 -5.2452 -5.2452 -5.1391 -5.1391 -5.1325 -5.1325 -5.0640 -5.0640 -2.2332 -2.2332 -2.2301 -2.2301 -2.1041 -2.1041 -1.8692 -1.8692 -1.8442 -1.8442 -1.7111 -1.7111 -1.0649 -1.0649 -0.8049 -0.8049 -0.7835 -0.7835 0.1423 0.1423 0.1521 0.1521 0.2147 0.2147 0.2716 0.2716 0.5017 0.5017 0.5555 0.5555 0.9351 0.9351 0.9658 0.9658 0.9809 0.9809 5.5395 5.5395 5.5781 5.5781 5.6213 5.6213 9.0028 9.0028 9.0030 9.0030 10.1772 10.1772 11.1350 11.1350 11.9658 11.9658 k = 0.4375 0.2526 0.1786 ( 12641 PWs) bands (ev): -67.7617 -67.7617 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2533 -21.2533 -21.2348 -21.2348 -19.5758 -19.5758 -18.9804 -18.9804 -18.9804 -18.9804 -18.6551 -18.6551 -18.6257 -18.6257 -18.6168 -18.6168 -6.0190 -6.0190 -5.9654 -5.9654 -5.2388 -5.2388 -5.1432 -5.1432 -5.1221 -5.1221 -5.0674 -5.0674 -2.2344 -2.2344 -2.2312 -2.2312 -2.1122 -2.1122 -1.8711 -1.8711 -1.8467 -1.8467 -1.7062 -1.7062 -1.0696 -1.0696 -0.8036 -0.8036 -0.7824 -0.7824 0.1408 0.1408 0.1503 0.1503 0.2076 0.2076 0.2726 0.2726 0.5015 0.5015 0.5555 0.5555 0.9333 0.9333 0.9640 0.9640 0.9796 0.9796 5.5399 5.5399 5.5786 5.5786 5.6218 5.6218 9.0008 9.0008 9.0010 9.0010 10.2495 10.2495 11.0822 11.0822 12.0204 12.0204 k = 0.4531 0.2616 0.1850 ( 12632 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2509 -21.2509 -21.2366 -21.2366 -19.5765 -19.5765 -18.9805 -18.9805 -18.9805 -18.9805 -18.6552 -18.6552 -18.6257 -18.6257 -18.6167 -18.6167 -6.0131 -6.0131 -5.9690 -5.9690 -5.2333 -5.2333 -5.1469 -5.1469 -5.1124 -5.1124 -5.0714 -5.0714 -2.2353 -2.2353 -2.2319 -2.2319 -2.1185 -2.1185 -1.8725 -1.8725 -1.8485 -1.8485 -1.7024 -1.7024 -1.0733 -1.0733 -0.8026 -0.8026 -0.7815 -0.7815 0.1396 0.1396 0.1488 0.1488 0.2021 0.2021 0.2734 0.2734 0.5014 0.5014 0.5556 0.5556 0.9319 0.9319 0.9625 0.9625 0.9786 0.9786 5.5399 5.5399 5.5796 5.5796 5.6228 5.6228 9.0000 9.0000 9.0002 9.0002 10.3145 10.3145 11.0324 11.0324 12.0715 12.0716 k = 0.4688 0.2706 0.1914 ( 12644 PWs) bands (ev): -67.7618 -67.7618 -39.9760 -39.9760 -39.0184 -39.0184 -39.0182 -39.0182 -21.2488 -21.2488 -21.2384 -21.2384 -19.5770 -19.5770 -18.9806 -18.9806 -18.9806 -18.9806 -18.6552 -18.6552 -18.6257 -18.6257 -18.6166 -18.6166 -6.0081 -6.0081 -5.9723 -5.9723 -5.2290 -5.2290 -5.1499 -5.1499 -5.1035 -5.1035 -5.0762 -5.0762 -2.2361 -2.2361 -2.2328 -2.2328 -2.1232 -2.1232 -1.8736 -1.8736 -1.8500 -1.8500 -1.6996 -1.6996 -1.0760 -1.0760 -0.8018 -0.8018 -0.7809 -0.7809 0.1387 0.1387 0.1478 0.1478 0.1981 0.1981 0.2740 0.2740 0.5014 0.5014 0.5556 0.5556 0.9309 0.9309 0.9615 0.9615 0.9778 0.9778 5.5394 5.5394 5.5789 5.5789 5.6222 5.6222 8.9978 8.9978 8.9980 8.9980 10.3682 10.3682 10.9896 10.9896 12.1162 12.1162 k = 0.4844 0.2797 0.1977 ( 12650 PWs) bands (ev): -67.7620 -67.7620 -39.9761 -39.9761 -39.0184 -39.0184 -39.0182 -39.0182 -21.2470 -21.2470 -21.2400 -21.2400 -19.5773 -19.5773 -18.9807 -18.9807 -18.9806 -18.9806 -18.6553 -18.6553 -18.6257 -18.6257 -18.6166 -18.6166 -6.0045 -6.0045 -5.9748 -5.9748 -5.2262 -5.2262 -5.1519 -5.1519 -5.0955 -5.0955 -5.0818 -5.0818 -2.2366 -2.2366 -2.2333 -2.2333 -2.1260 -2.1260 -1.8743 -1.8743 -1.8509 -1.8509 -1.6980 -1.6980 -1.0776 -1.0776 -0.8013 -0.8013 -0.7805 -0.7805 0.1382 0.1382 0.1471 0.1471 0.1957 0.1957 0.2743 0.2743 0.5013 0.5013 0.5556 0.5556 0.9303 0.9303 0.9608 0.9608 0.9774 0.9774 5.5393 5.5393 5.5787 5.5787 5.6220 5.6220 8.9964 8.9964 8.9966 8.9966 10.4049 10.4049 10.9596 10.9596 12.1487 12.1487 k = 0.5000 0.2887 0.2041 ( 12662 PWs) bands (ev): -67.7624 -67.7624 -39.9761 -39.9761 -39.0184 -39.0184 -39.0183 -39.0183 -21.2461 -21.2461 -21.2407 -21.2407 -19.5774 -19.5774 -18.9807 -18.9807 -18.9807 -18.9807 -18.6553 -18.6553 -18.6257 -18.6257 -18.6166 -18.6166 -6.0032 -6.0032 -5.9758 -5.9758 -5.2252 -5.2252 -5.1526 -5.1526 -5.0887 -5.0887 -5.0877 -5.0877 -2.2369 -2.2369 -2.2335 -2.2335 -2.1271 -2.1271 -1.8745 -1.8745 -1.8512 -1.8512 -1.6975 -1.6975 -1.0782 -1.0782 -0.8012 -0.8012 -0.7803 -0.7803 0.1380 0.1380 0.1469 0.1469 0.1949 0.1949 0.2744 0.2744 0.5013 0.5013 0.5557 0.5557 0.9301 0.9301 0.9606 0.9606 0.9772 0.9772 5.5370 5.5370 5.5784 5.5784 5.6215 5.6215 8.9957 8.9957 8.9959 8.9959 10.4181 10.4181 10.9486 10.9486 12.1610 12.1610 k = 0.5000 0.2887 0.2041 ( 12662 PWs) bands (ev): -67.7624 -67.7624 -39.9761 -39.9761 -39.0184 -39.0184 -39.0183 -39.0183 -21.2461 -21.2461 -21.2407 -21.2407 -19.5774 -19.5774 -18.9807 -18.9807 -18.9807 -18.9807 -18.6553 -18.6553 -18.6257 -18.6257 -18.6166 -18.6166 -6.0032 -6.0032 -5.9758 -5.9758 -5.2252 -5.2252 -5.1526 -5.1526 -5.0887 -5.0887 -5.0877 -5.0877 -2.2369 -2.2369 -2.2335 -2.2335 -2.1271 -2.1271 -1.8745 -1.8745 -1.8512 -1.8512 -1.6975 -1.6975 -1.0782 -1.0782 -0.8012 -0.8012 -0.7803 -0.7803 0.1380 0.1380 0.1469 0.1469 0.1949 0.1949 0.2744 0.2744 0.5013 0.5013 0.5557 0.5557 0.9301 0.9301 0.9606 0.9606 0.9772 0.9772 5.5370 5.5370 5.5784 5.5784 5.6215 5.6215 8.9957 8.9957 8.9959 8.9959 10.4181 10.4181 10.9486 10.9486 12.1610 12.1610 k = 0.5054 0.2730 0.2130 ( 12652 PWs) bands (ev): -67.7620 -67.7620 -39.9761 -39.9761 -39.0184 -39.0184 -39.0182 -39.0182 -21.2461 -21.2461 -21.2407 -21.2407 -19.5774 -19.5774 -18.9807 -18.9807 -18.9807 -18.9807 -18.6553 -18.6553 -18.6257 -18.6257 -18.6166 -18.6166 -6.0031 -6.0031 -5.9758 -5.9758 -5.2250 -5.2250 -5.1526 -5.1526 -5.0892 -5.0892 -5.0869 -5.0869 -2.2368 -2.2368 -2.2334 -2.2334 -2.1269 -2.1269 -1.8748 -1.8748 -1.8517 -1.8517 -1.6974 -1.6974 -1.0777 -1.0777 -0.8014 -0.8014 -0.7806 -0.7806 0.1380 0.1380 0.1469 0.1469 0.1953 0.1953 0.2742 0.2742 0.5010 0.5010 0.5553 0.5553 0.9300 0.9300 0.9606 0.9606 0.9771 0.9771 5.5376 5.5376 5.5790 5.5790 5.6221 5.6221 8.9957 8.9957 8.9965 8.9965 10.4205 10.4205 10.9498 10.9498 12.1581 12.1581 k = 0.5109 0.2573 0.2219 ( 12642 PWs) bands (ev): -67.7617 -67.7617 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2460 -21.2460 -21.2407 -21.2407 -19.5776 -19.5776 -18.9808 -18.9808 -18.9806 -18.9806 -18.6552 -18.6552 -18.6257 -18.6257 -18.6166 -18.6166 -6.0028 -6.0028 -5.9756 -5.9756 -5.2245 -5.2245 -5.1525 -5.1525 -5.0897 -5.0897 -5.0854 -5.0854 -2.2371 -2.2371 -2.2335 -2.2335 -2.1263 -2.1263 -1.8759 -1.8759 -1.8530 -1.8530 -1.6971 -1.6971 -1.0763 -1.0763 -0.8021 -0.8021 -0.7814 -0.7814 0.1382 0.1382 0.1471 0.1471 0.1966 0.1966 0.2734 0.2734 0.4999 0.4999 0.5541 0.5541 0.9298 0.9298 0.9604 0.9604 0.9768 0.9768 5.5385 5.5385 5.5794 5.5794 5.6226 5.6226 8.9921 8.9921 8.9982 8.9982 10.4278 10.4278 10.9534 10.9534 12.1464 12.1464 k = 0.5163 0.2416 0.2307 ( 12637 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2459 -21.2459 -21.2407 -21.2407 -19.5778 -19.5778 -18.9810 -18.9810 -18.9806 -18.9806 -18.6551 -18.6551 -18.6257 -18.6257 -18.6167 -18.6167 -6.0023 -6.0023 -5.9752 -5.9752 -5.2236 -5.2236 -5.1524 -5.1524 -5.0899 -5.0899 -5.0836 -5.0836 -2.2379 -2.2379 -2.2335 -2.2335 -2.1253 -2.1253 -1.8779 -1.8779 -1.8553 -1.8553 -1.6965 -1.6965 -1.0740 -1.0740 -0.8032 -0.8032 -0.7827 -0.7827 0.1384 0.1384 0.1474 0.1474 0.1986 0.1986 0.2722 0.2722 0.4982 0.4982 0.5523 0.5523 0.9295 0.9295 0.9602 0.9602 0.9764 0.9764 5.5397 5.5397 5.5794 5.5794 5.6228 5.6228 8.9857 8.9857 8.9992 8.9992 10.4398 10.4398 10.9594 10.9594 12.1268 12.1268 k = 0.5217 0.2259 0.2396 ( 12632 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2457 -21.2457 -21.2406 -21.2406 -19.5782 -19.5782 -18.9812 -18.9812 -18.9805 -18.9805 -18.6550 -18.6550 -18.6257 -18.6257 -18.6167 -18.6167 -6.0017 -6.0017 -5.9748 -5.9748 -5.2224 -5.2224 -5.1523 -5.1523 -5.0897 -5.0897 -5.0815 -5.0815 -2.2394 -2.2394 -2.2333 -2.2333 -2.1240 -2.1240 -1.8808 -1.8808 -1.8581 -1.8581 -1.6959 -1.6959 -1.0708 -1.0708 -0.8048 -0.8048 -0.7845 -0.7845 0.1386 0.1386 0.1479 0.1479 0.2014 0.2014 0.2706 0.2706 0.4956 0.4956 0.5498 0.5498 0.9291 0.9291 0.9598 0.9598 0.9758 0.9758 5.5408 5.5408 5.5795 5.5795 5.6233 5.6233 8.9759 8.9759 9.0014 9.0014 10.4564 10.4564 10.9676 10.9676 12.1018 12.1018 k = 0.5272 0.2102 0.2485 ( 12637 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2454 -21.2454 -21.2405 -21.2405 -19.5786 -19.5786 -18.9815 -18.9815 -18.9804 -18.9804 -18.6549 -18.6549 -18.6256 -18.6256 -18.6168 -18.6168 -6.0009 -6.0009 -5.9742 -5.9742 -5.2209 -5.2209 -5.1521 -5.1521 -5.0892 -5.0892 -5.0791 -5.0791 -2.2415 -2.2415 -2.2329 -2.2329 -2.1225 -2.1225 -1.8851 -1.8851 -1.8614 -1.8614 -1.6950 -1.6950 -1.0668 -1.0668 -0.8069 -0.8069 -0.7867 -0.7867 0.1390 0.1390 0.1484 0.1484 0.2051 0.2051 0.2685 0.2685 0.4923 0.4923 0.5469 0.5469 0.9285 0.9285 0.9593 0.9593 0.9751 0.9751 5.5412 5.5412 5.5788 5.5788 5.6228 5.6228 8.9640 8.9640 9.0028 9.0028 10.4772 10.4772 10.9779 10.9779 12.0730 12.0730 k = 0.5326 0.1945 0.2574 ( 12642 PWs) bands (ev): -67.7618 -67.7618 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2451 -21.2451 -21.2404 -21.2404 -19.5791 -19.5791 -18.9818 -18.9818 -18.9802 -18.9802 -18.6548 -18.6548 -18.6256 -18.6256 -18.6170 -18.6170 -5.9999 -5.9999 -5.9735 -5.9735 -5.2191 -5.2191 -5.1520 -5.1520 -5.0884 -5.0884 -5.0764 -5.0764 -2.2442 -2.2442 -2.2324 -2.2324 -2.1206 -2.1206 -1.8907 -1.8907 -1.8647 -1.8647 -1.6939 -1.6939 -1.0621 -1.0621 -0.8094 -0.8094 -0.7894 -0.7894 0.1394 0.1394 0.1490 0.1490 0.2094 0.2094 0.2660 0.2660 0.4879 0.4879 0.5436 0.5436 0.9278 0.9278 0.9586 0.9586 0.9744 0.9744 5.5417 5.5417 5.5780 5.5780 5.6228 5.6228 8.9497 8.9497 9.0047 9.0047 10.5019 10.5019 10.9901 10.9901 12.0418 12.0418 k = 0.5380 0.1789 0.2662 ( 12630 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2448 -21.2448 -21.2403 -21.2403 -19.5797 -19.5797 -18.9822 -18.9822 -18.9801 -18.9801 -18.6547 -18.6547 -18.6255 -18.6255 -18.6171 -18.6171 -5.9988 -5.9988 -5.9726 -5.9726 -5.2170 -5.2170 -5.1518 -5.1518 -5.0873 -5.0873 -5.0735 -5.0735 -2.2471 -2.2471 -2.2315 -2.2315 -2.1184 -2.1184 -1.8976 -1.8976 -1.8678 -1.8678 -1.6927 -1.6927 -1.0565 -1.0565 -0.8124 -0.8124 -0.7924 -0.7924 0.1398 0.1398 0.1497 0.1497 0.2144 0.2144 0.2632 0.2632 0.4826 0.4826 0.5402 0.5402 0.9268 0.9268 0.9577 0.9577 0.9737 0.9737 5.5430 5.5430 5.5786 5.5786 5.6241 5.6241 8.9353 8.9353 9.0078 9.0078 10.5302 10.5302 11.0041 11.0041 12.0090 12.0090 k = 0.5435 0.1632 0.2751 ( 12631 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2444 -21.2444 -21.2401 -21.2401 -19.5804 -19.5804 -18.9827 -18.9827 -18.9799 -18.9799 -18.6545 -18.6545 -18.6254 -18.6254 -18.6172 -18.6172 -5.9976 -5.9976 -5.9717 -5.9717 -5.2148 -5.2148 -5.1516 -5.1516 -5.0859 -5.0859 -5.0702 -5.0702 -2.2505 -2.2505 -2.2306 -2.2306 -2.1160 -2.1160 -1.9058 -1.9058 -1.8710 -1.8710 -1.6912 -1.6912 -1.0504 -1.0504 -0.8158 -0.8158 -0.7957 -0.7957 0.1403 0.1403 0.1504 0.1504 0.2200 0.2200 0.2601 0.2601 0.4763 0.4763 0.5368 0.5368 0.9256 0.9256 0.9567 0.9567 0.9732 0.9732 5.5431 5.5431 5.5781 5.5781 5.6246 5.6246 8.9182 8.9182 9.0109 9.0109 10.5617 10.5617 11.0195 11.0195 11.9754 11.9754 k = 0.5489 0.1475 0.2840 ( 12617 PWs) bands (ev): -67.7610 -67.7610 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2440 -21.2440 -21.2400 -21.2400 -19.5811 -19.5811 -18.9831 -18.9831 -18.9797 -18.9797 -18.6544 -18.6544 -18.6254 -18.6254 -18.6174 -18.6174 -5.9963 -5.9963 -5.9707 -5.9707 -5.2124 -5.2124 -5.1515 -5.1515 -5.0842 -5.0842 -5.0668 -5.0668 -2.2541 -2.2541 -2.2293 -2.2293 -2.1132 -2.1132 -1.9150 -1.9150 -1.8739 -1.8739 -1.6896 -1.6896 -1.0437 -1.0437 -0.8198 -0.8198 -0.7993 -0.7993 0.1408 0.1408 0.1513 0.1513 0.2261 0.2261 0.2569 0.2569 0.4690 0.4690 0.5334 0.5334 0.9243 0.9243 0.9553 0.9553 0.9729 0.9729 5.5441 5.5441 5.5787 5.5787 5.6262 5.6262 8.9009 8.9009 9.0160 9.0160 10.5961 10.5961 11.0361 11.0361 11.9414 11.9414 k = 0.5543 0.1318 0.2929 ( 12620 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2436 -21.2436 -21.2398 -21.2398 -19.5819 -19.5819 -18.9837 -18.9837 -18.9795 -18.9795 -18.6542 -18.6542 -18.6253 -18.6253 -18.6175 -18.6175 -5.9950 -5.9950 -5.9696 -5.9696 -5.2100 -5.2100 -5.1513 -5.1513 -5.0823 -5.0823 -5.0630 -5.0630 -2.2582 -2.2582 -2.2282 -2.2282 -2.1104 -2.1104 -1.9251 -1.9251 -1.8770 -1.8770 -1.6879 -1.6879 -1.0364 -1.0364 -0.8241 -0.8241 -0.8032 -0.8032 0.1413 0.1413 0.1522 0.1522 0.2325 0.2325 0.2537 0.2537 0.4608 0.4608 0.5302 0.5302 0.9227 0.9227 0.9537 0.9537 0.9728 0.9728 5.5438 5.5438 5.5788 5.5788 5.6270 5.6270 8.8812 8.8812 9.0195 9.0195 10.6328 10.6328 11.0535 11.0535 11.9073 11.9073 k = 0.5598 0.1161 0.3017 ( 12622 PWs) bands (ev): -67.7612 -67.7612 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2432 -21.2432 -21.2396 -21.2396 -19.5827 -19.5827 -18.9842 -18.9842 -18.9792 -18.9792 -18.6541 -18.6541 -18.6252 -18.6252 -18.6177 -18.6177 -5.9936 -5.9936 -5.9684 -5.9684 -5.2074 -5.2074 -5.1512 -5.1512 -5.0802 -5.0802 -5.0591 -5.0591 -2.2625 -2.2625 -2.2268 -2.2268 -2.1075 -2.1075 -1.9359 -1.9359 -1.8800 -1.8800 -1.6860 -1.6860 -1.0288 -1.0288 -0.8288 -0.8288 -0.8072 -0.8072 0.1418 0.1418 0.1532 0.1532 0.2387 0.2387 0.2509 0.2509 0.4519 0.4519 0.5271 0.5271 0.9209 0.9209 0.9518 0.9518 0.9730 0.9730 5.5426 5.5426 5.5790 5.5790 5.6280 5.6280 8.8606 8.8606 9.0245 9.0245 10.6715 10.6715 11.0713 11.0713 11.8735 11.8735 k = 0.5652 0.1004 0.3106 ( 12628 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2428 -21.2428 -21.2394 -21.2394 -19.5835 -19.5835 -18.9848 -18.9848 -18.9790 -18.9790 -18.6539 -18.6539 -18.6251 -18.6251 -18.6178 -18.6178 -5.9922 -5.9922 -5.9671 -5.9671 -5.2050 -5.2050 -5.1510 -5.1510 -5.0779 -5.0779 -5.0550 -5.0550 -2.2668 -2.2668 -2.2256 -2.2256 -2.1045 -2.1045 -1.9470 -1.9470 -1.8832 -1.8832 -1.6840 -1.6840 -1.0208 -1.0208 -0.8339 -0.8339 -0.8113 -0.8113 0.1421 0.1421 0.1542 0.1542 0.2423 0.2423 0.2511 0.2511 0.4423 0.4423 0.5243 0.5243 0.9189 0.9189 0.9496 0.9496 0.9735 0.9735 5.5413 5.5413 5.5792 5.5792 5.6286 5.6286 8.8410 8.8410 9.0276 9.0276 10.7119 10.7119 11.0891 11.0891 11.8402 11.8402 k = 0.5707 0.0847 0.3195 ( 12640 PWs) bands (ev): -67.7617 -67.7617 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2424 -21.2424 -21.2391 -21.2391 -19.5844 -19.5844 -18.9854 -18.9854 -18.9787 -18.9787 -18.6538 -18.6538 -18.6251 -18.6251 -18.6179 -18.6179 -5.9908 -5.9908 -5.9659 -5.9659 -5.2026 -5.2026 -5.1508 -5.1508 -5.0756 -5.0756 -5.0508 -5.0508 -2.2714 -2.2714 -2.2244 -2.2244 -2.1017 -2.1017 -1.9582 -1.9582 -1.8863 -1.8863 -1.6818 -1.6818 -1.0127 -1.0127 -0.8392 -0.8392 -0.8156 -0.8156 0.1423 0.1423 0.1554 0.1554 0.2408 0.2408 0.2564 0.2564 0.4324 0.4324 0.5216 0.5216 0.9168 0.9168 0.9472 0.9472 0.9742 0.9742 5.5394 5.5394 5.5795 5.5795 5.6290 5.6290 8.8204 8.8204 9.0304 9.0304 10.7535 10.7535 11.1063 11.1063 11.8077 11.8077 k = 0.5761 0.0690 0.3284 ( 12634 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2421 -21.2421 -21.2388 -21.2388 -19.5852 -19.5852 -18.9860 -18.9860 -18.9784 -18.9784 -18.6537 -18.6537 -18.6250 -18.6250 -18.6180 -18.6180 -5.9895 -5.9895 -5.9645 -5.9645 -5.2004 -5.2004 -5.1504 -5.1504 -5.0731 -5.0731 -5.0464 -5.0464 -2.2755 -2.2755 -2.2229 -2.2229 -2.0989 -2.0989 -1.9692 -1.9692 -1.8893 -1.8893 -1.6796 -1.6796 -1.0044 -1.0044 -0.8447 -0.8447 -0.8200 -0.8200 0.1423 0.1423 0.1567 0.1567 0.2379 0.2379 0.2632 0.2632 0.4224 0.4224 0.5190 0.5190 0.9145 0.9145 0.9447 0.9447 0.9752 0.9752 5.5378 5.5378 5.5810 5.5810 5.6306 5.6306 8.8024 8.8024 9.0349 9.0349 10.7961 10.7961 11.1223 11.1223 11.7765 11.7765 k = 0.5815 0.0533 0.3372 ( 12632 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2418 -21.2418 -21.2384 -21.2384 -19.5861 -19.5861 -18.9866 -18.9866 -18.9782 -18.9782 -18.6536 -18.6536 -18.6250 -18.6250 -18.6180 -18.6180 -5.9882 -5.9882 -5.9632 -5.9632 -5.1985 -5.1985 -5.1500 -5.1500 -5.0706 -5.0706 -5.0421 -5.0421 -2.2799 -2.2799 -2.2213 -2.2213 -2.0967 -2.0967 -1.9796 -1.9796 -1.8922 -1.8922 -1.6774 -1.6774 -0.9962 -0.9962 -0.8503 -0.8503 -0.8244 -0.8244 0.1420 0.1420 0.1582 0.1582 0.2350 0.2350 0.2699 0.2699 0.4127 0.4127 0.5167 0.5167 0.9122 0.9122 0.9421 0.9421 0.9763 0.9763 5.5360 5.5360 5.5824 5.5824 5.6323 5.6323 8.7834 8.7834 9.0395 9.0395 10.8389 10.8389 11.1366 11.1366 11.7468 11.7468 k = 0.5870 0.0377 0.3461 ( 12632 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2417 -21.2417 -21.2379 -21.2379 -19.5869 -19.5869 -18.9872 -18.9872 -18.9779 -18.9779 -18.6536 -18.6536 -18.6250 -18.6250 -18.6180 -18.6180 -5.9871 -5.9871 -5.9618 -5.9618 -5.1969 -5.1969 -5.1494 -5.1494 -5.0681 -5.0681 -5.0379 -5.0379 -2.2842 -2.2842 -2.2198 -2.2198 -2.0950 -2.0950 -1.9890 -1.9890 -1.8951 -1.8951 -1.6751 -1.6751 -0.9880 -0.9880 -0.8557 -0.8557 -0.8289 -0.8289 0.1414 0.1414 0.1598 0.1598 0.2323 0.2323 0.2760 0.2760 0.4037 0.4037 0.5144 0.5144 0.9098 0.9098 0.9394 0.9394 0.9777 0.9777 5.5339 5.5339 5.5843 5.5843 5.6334 5.6334 8.7650 8.7650 9.0439 9.0439 10.8816 10.8816 11.1483 11.1483 11.7192 11.7192 k = 0.5924 0.0220 0.3550 ( 12630 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2416 -21.2416 -21.2374 -21.2374 -19.5876 -19.5876 -18.9878 -18.9878 -18.9775 -18.9775 -18.6535 -18.6535 -18.6251 -18.6251 -18.6179 -18.6179 -5.9862 -5.9862 -5.9604 -5.9604 -5.1957 -5.1957 -5.1485 -5.1485 -5.0656 -5.0656 -5.0338 -5.0338 -2.2884 -2.2884 -2.2180 -2.2180 -2.0944 -2.0944 -1.9970 -1.9970 -1.8978 -1.8978 -1.6729 -1.6729 -0.9802 -0.9802 -0.8610 -0.8610 -0.8334 -0.8334 0.1405 0.1405 0.1616 0.1616 0.2298 0.2298 0.2810 0.2810 0.3960 0.3960 0.5124 0.5124 0.9074 0.9074 0.9367 0.9367 0.9791 0.9791 5.5309 5.5309 5.5864 5.5864 5.6354 5.6354 8.7472 8.7472 9.0493 9.0493 10.9234 10.9234 11.1568 11.1568 11.6945 11.6945 k = 0.5978 0.0063 0.3639 ( 12613 PWs) bands (ev): -67.7610 -67.7610 -39.9759 -39.9759 -39.0183 -39.0183 -39.0180 -39.0180 -21.2417 -21.2417 -21.2368 -21.2368 -19.5883 -19.5883 -18.9883 -18.9883 -18.9772 -18.9772 -18.6535 -18.6535 -18.6252 -18.6252 -18.6178 -18.6178 -5.9854 -5.9854 -5.9590 -5.9590 -5.1950 -5.1950 -5.1475 -5.1475 -5.0631 -5.0631 -5.0299 -5.0299 -2.2922 -2.2922 -2.2161 -2.2161 -2.0950 -2.0950 -2.0028 -2.0028 -1.9003 -1.9003 -1.6708 -1.6708 -0.9728 -0.9728 -0.8659 -0.8659 -0.8379 -0.8379 0.1392 0.1392 0.1635 0.1635 0.2277 0.2277 0.2843 0.2843 0.3900 0.3900 0.5104 0.5104 0.9051 0.9051 0.9341 0.9341 0.9807 0.9807 5.5293 5.5293 5.5894 5.5894 5.6379 5.6379 8.7316 8.7316 9.0557 9.0557 10.9634 10.9634 11.1620 11.1620 11.6736 11.6736 k = 0.6033-0.0094 0.3727 ( 12617 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0183 -39.0183 -39.0180 -39.0180 -21.2418 -21.2418 -21.2362 -21.2362 -19.5890 -19.5890 -18.9889 -18.9889 -18.9769 -18.9769 -18.6535 -18.6535 -18.6253 -18.6253 -18.6177 -18.6177 -5.9849 -5.9849 -5.9576 -5.9576 -5.1948 -5.1948 -5.1461 -5.1461 -5.0607 -5.0607 -5.0264 -5.0264 -2.2960 -2.2960 -2.2144 -2.2144 -2.0972 -2.0972 -2.0067 -2.0067 -1.9027 -1.9027 -1.6688 -1.6688 -0.9659 -0.9659 -0.8702 -0.8702 -0.8424 -0.8424 0.1377 0.1377 0.1655 0.1655 0.2260 0.2260 0.2856 0.2856 0.3864 0.3864 0.5086 0.5086 0.9028 0.9028 0.9316 0.9316 0.9824 0.9824 5.5264 5.5264 5.5910 5.5910 5.6391 5.6391 8.7157 8.7157 9.0602 9.0602 10.9994 10.9994 11.1643 11.1643 11.6570 11.6570 k = 0.6087-0.0251 0.3816 ( 12624 PWs) bands (ev): -67.7613 -67.7613 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2420 -21.2420 -21.2355 -21.2355 -19.5896 -19.5896 -18.9894 -18.9894 -18.9766 -18.9766 -18.6535 -18.6535 -18.6254 -18.6254 -18.6175 -18.6175 -5.9847 -5.9847 -5.9562 -5.9562 -5.1952 -5.1952 -5.1445 -5.1445 -5.0585 -5.0585 -5.0233 -5.0233 -2.2995 -2.2995 -2.2127 -2.2127 -2.1008 -2.1008 -2.0084 -2.0084 -1.9049 -1.9049 -1.6670 -1.6670 -0.9599 -0.9599 -0.8738 -0.8738 -0.8468 -0.8468 0.1359 0.1359 0.1677 0.1677 0.2247 0.2247 0.2846 0.2846 0.3855 0.3855 0.5069 0.5069 0.9006 0.9006 0.9292 0.9292 0.9842 0.9842 5.5229 5.5229 5.5924 5.5924 5.6400 5.6400 8.7014 8.7014 9.0641 9.0641 11.0273 11.0273 11.1671 11.1671 11.6455 11.6455 k = 0.6141-0.0408 0.3905 ( 12619 PWs) bands (ev): -67.7612 -67.7612 -39.9759 -39.9759 -39.0183 -39.0183 -39.0180 -39.0180 -21.2423 -21.2423 -21.2348 -21.2348 -19.5901 -19.5901 -18.9899 -18.9899 -18.9762 -18.9762 -18.6535 -18.6535 -18.6256 -18.6256 -18.6173 -18.6173 -5.9847 -5.9847 -5.9548 -5.9548 -5.1961 -5.1961 -5.1427 -5.1427 -5.0563 -5.0563 -5.0207 -5.0207 -2.3027 -2.3027 -2.2109 -2.2109 -2.1055 -2.1055 -2.0077 -2.0077 -1.9067 -1.9067 -1.6654 -1.6654 -0.9549 -0.9549 -0.8764 -0.8764 -0.8511 -0.8511 0.1340 0.1340 0.1700 0.1700 0.2237 0.2237 0.2814 0.2814 0.3870 0.3870 0.5054 0.5054 0.8986 0.8986 0.9270 0.9270 0.9860 0.9860 5.5198 5.5198 5.5952 5.5952 5.6421 5.6421 8.6885 8.6885 9.0691 9.0691 11.0402 11.0402 11.1766 11.1766 11.6392 11.6392 k = 0.6196-0.0565 0.3994 ( 12627 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2427 -21.2427 -21.2341 -21.2341 -19.5904 -19.5904 -18.9903 -18.9903 -18.9759 -18.9759 -18.6536 -18.6536 -18.6257 -18.6257 -18.6171 -18.6171 -5.9851 -5.9851 -5.9533 -5.9533 -5.1975 -5.1975 -5.1407 -5.1407 -5.0544 -5.0544 -5.0188 -5.0188 -2.3057 -2.3057 -2.2092 -2.2092 -2.1107 -2.1107 -2.0056 -2.0056 -1.9083 -1.9083 -1.6642 -1.6642 -0.9510 -0.9510 -0.8779 -0.8779 -0.8553 -0.8553 0.1319 0.1319 0.1723 0.1723 0.2230 0.2230 0.2766 0.2766 0.3907 0.3907 0.5041 0.5041 0.8968 0.8968 0.9250 0.9250 0.9879 0.9879 5.5162 5.5162 5.5967 5.5967 5.6431 5.6431 8.6760 8.6760 9.0733 9.0733 11.0335 11.0335 11.1972 11.1972 11.6380 11.6380 k = 0.6250-0.0722 0.4082 ( 12632 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2433 -21.2433 -21.2334 -21.2334 -19.5907 -19.5907 -18.9907 -18.9907 -18.9756 -18.9756 -18.6536 -18.6536 -18.6259 -18.6259 -18.6169 -18.6169 -5.9858 -5.9858 -5.9520 -5.9520 -5.1995 -5.1995 -5.1385 -5.1385 -5.0526 -5.0526 -5.0174 -5.0174 -2.3082 -2.3082 -2.2075 -2.2075 -2.1160 -2.1160 -2.0021 -2.0021 -1.9095 -1.9095 -1.6633 -1.6633 -0.9484 -0.9484 -0.8783 -0.8783 -0.8591 -0.8591 0.1299 0.1299 0.1747 0.1747 0.2225 0.2225 0.2710 0.2710 0.3958 0.3958 0.5028 0.5028 0.8952 0.8952 0.9232 0.9232 0.9898 0.9898 5.5133 5.5133 5.5980 5.5980 5.6442 5.6442 8.6654 8.6654 9.0774 9.0774 11.0103 11.0103 11.2261 11.2261 11.6415 11.6415 k = 0.6250-0.0722 0.4082 ( 12632 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2433 -21.2433 -21.2334 -21.2334 -19.5907 -19.5907 -18.9907 -18.9907 -18.9756 -18.9756 -18.6536 -18.6536 -18.6259 -18.6259 -18.6169 -18.6169 -5.9858 -5.9858 -5.9520 -5.9520 -5.1995 -5.1995 -5.1385 -5.1385 -5.0526 -5.0526 -5.0174 -5.0174 -2.3082 -2.3082 -2.2075 -2.2075 -2.1160 -2.1160 -2.0021 -2.0021 -1.9095 -1.9095 -1.6633 -1.6633 -0.9484 -0.9484 -0.8783 -0.8783 -0.8591 -0.8591 0.1299 0.1299 0.1747 0.1747 0.2225 0.2225 0.2710 0.2710 0.3958 0.3958 0.5028 0.5028 0.8952 0.8952 0.9232 0.9232 0.9898 0.9898 5.5133 5.5133 5.5980 5.5980 5.6442 5.6442 8.6654 8.6654 9.0774 9.0774 11.0103 11.0103 11.2261 11.2261 11.6415 11.6415 k = 0.6161-0.0670 0.4228 ( 12625 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2432 -21.2432 -21.2334 -21.2334 -19.5907 -19.5907 -18.9907 -18.9907 -18.9756 -18.9756 -18.6536 -18.6536 -18.6259 -18.6259 -18.6169 -18.6169 -5.9858 -5.9858 -5.9520 -5.9520 -5.1993 -5.1993 -5.1386 -5.1386 -5.0526 -5.0526 -5.0173 -5.0173 -2.3082 -2.3082 -2.2074 -2.2074 -2.1157 -2.1157 -2.0024 -2.0024 -1.9097 -1.9097 -1.6633 -1.6633 -0.9481 -0.9481 -0.8783 -0.8783 -0.8594 -0.8594 0.1300 0.1300 0.1747 0.1747 0.2223 0.2223 0.2713 0.2713 0.3956 0.3956 0.5025 0.5025 0.8950 0.8950 0.9235 0.9235 0.9896 0.9896 5.5136 5.5136 5.5982 5.5982 5.6447 5.6447 8.6657 8.6657 9.0787 9.0787 11.0117 11.0117 11.2271 11.2271 11.6400 11.6400 k = 0.6071-0.0619 0.4374 ( 12626 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2431 -21.2431 -21.2335 -21.2335 -19.5908 -19.5908 -18.9906 -18.9906 -18.9757 -18.9757 -18.6536 -18.6536 -18.6259 -18.6259 -18.6169 -18.6169 -5.9856 -5.9856 -5.9520 -5.9520 -5.1989 -5.1989 -5.1389 -5.1389 -5.0526 -5.0526 -5.0171 -5.0171 -2.3081 -2.3081 -2.2077 -2.2077 -2.1149 -2.1149 -2.0034 -2.0034 -1.9101 -1.9101 -1.6632 -1.6632 -0.9471 -0.9471 -0.8786 -0.8786 -0.8600 -0.8600 0.1305 0.1305 0.1746 0.1746 0.2218 0.2218 0.2724 0.2724 0.3952 0.3952 0.5017 0.5017 0.8944 0.8944 0.9244 0.9244 0.9891 0.9891 5.5141 5.5141 5.5974 5.5974 5.6452 5.6452 8.6659 8.6659 9.0777 9.0777 11.0160 11.0160 11.2297 11.2297 11.6353 11.6353 k = 0.5982-0.0567 0.4520 ( 12614 PWs) bands (ev): -67.7610 -67.7610 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2430 -21.2430 -21.2336 -21.2336 -19.5908 -19.5908 -18.9906 -18.9906 -18.9757 -18.9757 -18.6536 -18.6536 -18.6258 -18.6258 -18.6170 -18.6170 -5.9853 -5.9853 -5.9521 -5.9521 -5.1981 -5.1981 -5.1393 -5.1393 -5.0527 -5.0527 -5.0167 -5.0167 -2.3078 -2.3078 -2.2080 -2.2080 -2.1134 -2.1134 -2.0050 -2.0050 -1.9108 -1.9108 -1.6630 -1.6630 -0.9455 -0.9455 -0.8791 -0.8791 -0.8610 -0.8610 0.1312 0.1312 0.1744 0.1744 0.2210 0.2210 0.2743 0.2743 0.3945 0.3945 0.5003 0.5003 0.8936 0.8936 0.9259 0.9259 0.9882 0.9882 5.5159 5.5159 5.5965 5.5965 5.6465 5.6465 8.6669 8.6669 9.0781 9.0781 11.0231 11.0231 11.2343 11.2343 11.6276 11.6276 k = 0.5893-0.0515 0.4666 ( 12614 PWs) bands (ev): -67.7610 -67.7610 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2428 -21.2428 -21.2337 -21.2337 -19.5909 -19.5909 -18.9906 -18.9906 -18.9758 -18.9758 -18.6536 -18.6536 -18.6257 -18.6257 -18.6171 -18.6171 -5.9849 -5.9849 -5.9521 -5.9521 -5.1971 -5.1971 -5.1399 -5.1399 -5.0528 -5.0528 -5.0162 -5.0162 -2.3076 -2.3076 -2.2086 -2.2086 -2.1114 -2.1114 -2.0074 -2.0074 -1.9118 -1.9118 -1.6628 -1.6628 -0.9433 -0.9433 -0.8797 -0.8797 -0.8624 -0.8624 0.1322 0.1322 0.1741 0.1741 0.2198 0.2198 0.2768 0.2768 0.3934 0.3934 0.4984 0.4984 0.8926 0.8926 0.9278 0.9278 0.9870 0.9870 5.5177 5.5177 5.5945 5.5945 5.6473 5.6473 8.6674 8.6674 9.0763 9.0763 11.0330 11.0330 11.2403 11.2403 11.6166 11.6166 k = 0.5804-0.0464 0.4811 ( 12616 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0183 -39.0183 -39.0180 -39.0180 -21.2425 -21.2425 -21.2339 -21.2339 -19.5910 -19.5910 -18.9905 -18.9905 -18.9759 -18.9759 -18.6535 -18.6535 -18.6256 -18.6256 -18.6173 -18.6173 -5.9843 -5.9843 -5.9523 -5.9523 -5.1958 -5.1958 -5.1408 -5.1408 -5.0529 -5.0529 -5.0155 -5.0155 -2.3072 -2.3072 -2.2093 -2.2093 -2.1091 -2.1091 -2.0104 -2.0104 -1.9130 -1.9130 -1.6626 -1.6626 -0.9405 -0.9405 -0.8805 -0.8805 -0.8642 -0.8642 0.1335 0.1335 0.1737 0.1737 0.2185 0.2185 0.2800 0.2800 0.3920 0.3920 0.4962 0.4962 0.8914 0.8914 0.9300 0.9300 0.9855 0.9855 5.5184 5.5184 5.5921 5.5921 5.6479 5.6479 8.6684 8.6684 9.0748 9.0748 11.0456 11.0456 11.2479 11.2479 11.6027 11.6027 k = 0.5714-0.0412 0.4957 ( 12598 PWs) bands (ev): -67.7606 -67.7606 -39.9758 -39.9758 -39.0181 -39.0181 -39.0180 -39.0180 -21.2422 -21.2422 -21.2342 -21.2342 -19.5911 -19.5911 -18.9904 -18.9904 -18.9761 -18.9761 -18.6535 -18.6535 -18.6254 -18.6254 -18.6175 -18.6175 -5.9837 -5.9837 -5.9524 -5.9524 -5.1943 -5.1943 -5.1418 -5.1418 -5.0529 -5.0529 -5.0148 -5.0148 -2.3066 -2.3066 -2.2100 -2.2100 -2.1058 -2.1058 -2.0141 -2.0141 -1.9142 -1.9142 -1.6622 -1.6622 -0.9372 -0.9372 -0.8815 -0.8815 -0.8663 -0.8663 0.1351 0.1351 0.1732 0.1732 0.2169 0.2169 0.2838 0.2838 0.3901 0.3901 0.4937 0.4937 0.8903 0.8903 0.9324 0.9324 0.9836 0.9836 5.5230 5.5230 5.5899 5.5899 5.6489 5.6489 8.6712 8.6712 9.0739 9.0739 11.0608 11.0608 11.2569 11.2569 11.5857 11.5857 k = 0.5625-0.0361 0.5103 ( 12609 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2418 -21.2418 -21.2344 -21.2344 -19.5913 -19.5913 -18.9904 -18.9904 -18.9762 -18.9762 -18.6534 -18.6534 -18.6253 -18.6253 -18.6176 -18.6176 -5.9830 -5.9830 -5.9526 -5.9526 -5.1926 -5.1926 -5.1429 -5.1429 -5.0530 -5.0530 -5.0139 -5.0139 -2.3063 -2.3063 -2.2111 -2.2111 -2.1023 -2.1023 -2.0185 -2.0185 -1.9156 -1.9156 -1.6619 -1.6619 -0.9335 -0.9335 -0.8826 -0.8826 -0.8687 -0.8687 0.1369 0.1369 0.1725 0.1725 0.2153 0.2153 0.2881 0.2881 0.3876 0.3876 0.4912 0.4912 0.8892 0.8892 0.9350 0.9350 0.9816 0.9816 5.5247 5.5247 5.5862 5.5862 5.6488 5.6488 8.6716 8.6716 9.0704 9.0704 11.0786 11.0786 11.2666 11.2666 11.5656 11.5656 k = 0.5536-0.0309 0.5249 ( 12608 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2414 -21.2414 -21.2348 -21.2348 -19.5914 -19.5914 -18.9903 -18.9903 -18.9763 -18.9763 -18.6534 -18.6534 -18.6251 -18.6251 -18.6178 -18.6178 -5.9823 -5.9823 -5.9528 -5.9528 -5.1907 -5.1907 -5.1442 -5.1442 -5.0531 -5.0531 -5.0131 -5.0131 -2.3059 -2.3059 -2.2120 -2.2120 -2.0983 -2.0983 -2.0235 -2.0235 -1.9169 -1.9169 -1.6616 -1.6616 -0.9293 -0.9293 -0.8839 -0.8839 -0.8714 -0.8714 0.1389 0.1389 0.1715 0.1715 0.2138 0.2138 0.2929 0.2929 0.3846 0.3846 0.4887 0.4887 0.8882 0.8882 0.9378 0.9378 0.9793 0.9793 5.5278 5.5278 5.5830 5.5830 5.6492 5.6492 8.6729 8.6729 9.0679 9.0679 11.0987 11.0987 11.2770 11.2770 11.5427 11.5427 k = 0.5446-0.0258 0.5395 ( 12605 PWs) bands (ev): -67.7608 -67.7608 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2409 -21.2409 -21.2351 -21.2351 -19.5915 -19.5915 -18.9902 -18.9902 -18.9765 -18.9765 -18.6533 -18.6533 -18.6249 -18.6249 -18.6180 -18.6180 -5.9815 -5.9815 -5.9530 -5.9530 -5.1887 -5.1887 -5.1456 -5.1456 -5.0532 -5.0532 -5.0123 -5.0123 -2.3054 -2.3054 -2.2129 -2.2129 -2.0938 -2.0938 -2.0291 -2.0291 -1.9181 -1.9181 -1.6612 -1.6612 -0.9247 -0.9247 -0.8855 -0.8855 -0.8743 -0.8743 0.1410 0.1410 0.1702 0.1702 0.2123 0.2123 0.2980 0.2980 0.3811 0.3811 0.4864 0.4864 0.8873 0.8873 0.9406 0.9406 0.9768 0.9768 5.5309 5.5309 5.5795 5.5795 5.6499 5.6499 8.6744 8.6744 9.0660 9.0660 11.1212 11.1212 11.2873 11.2873 11.5173 11.5173 k = 0.5357-0.0206 0.5541 ( 12609 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2404 -21.2404 -21.2356 -21.2356 -19.5917 -19.5917 -18.9901 -18.9901 -18.9766 -18.9766 -18.6533 -18.6533 -18.6247 -18.6247 -18.6182 -18.6182 -5.9808 -5.9808 -5.9533 -5.9533 -5.1867 -5.1867 -5.1471 -5.1471 -5.0532 -5.0532 -5.0115 -5.0115 -2.3051 -2.3051 -2.2138 -2.2138 -2.0889 -2.0889 -2.0350 -2.0350 -1.9191 -1.9191 -1.6609 -1.6609 -0.9199 -0.9199 -0.8872 -0.8872 -0.8771 -0.8771 0.1433 0.1433 0.1687 0.1687 0.2110 0.2110 0.3033 0.3033 0.3771 0.3771 0.4845 0.4845 0.8865 0.8865 0.9434 0.9434 0.9743 0.9743 5.5338 5.5338 5.5762 5.5762 5.6500 5.6500 8.6750 8.6750 9.0634 9.0634 11.1459 11.1459 11.2965 11.2965 11.4902 11.4902 k = 0.5268-0.0155 0.5686 ( 12602 PWs) bands (ev): -67.7607 -67.7607 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2398 -21.2398 -21.2361 -21.2361 -19.5918 -19.5918 -18.9901 -18.9901 -18.9767 -18.9767 -18.6532 -18.6532 -18.6246 -18.6246 -18.6184 -18.6184 -5.9801 -5.9801 -5.9535 -5.9535 -5.1848 -5.1848 -5.1486 -5.1486 -5.0533 -5.0533 -5.0108 -5.0108 -2.3048 -2.3048 -2.2145 -2.2145 -2.0835 -2.0835 -2.0412 -2.0412 -1.9200 -1.9200 -1.6606 -1.6606 -0.9149 -0.9149 -0.8893 -0.8893 -0.8799 -0.8799 0.1456 0.1456 0.1670 0.1670 0.2100 0.2100 0.3085 0.3085 0.3729 0.3729 0.4829 0.4829 0.8858 0.8858 0.9460 0.9460 0.9717 0.9717 5.5380 5.5380 5.5739 5.5739 5.6497 5.6497 8.6760 8.6760 9.0621 9.0621 11.1726 11.1726 11.3027 11.3027 11.4631 11.4631 k = 0.5179-0.0103 0.5832 ( 12610 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2392 -21.2392 -21.2366 -21.2366 -19.5919 -19.5919 -18.9900 -18.9900 -18.9768 -18.9768 -18.6532 -18.6532 -18.6245 -18.6245 -18.6185 -18.6185 -5.9796 -5.9796 -5.9537 -5.9537 -5.1831 -5.1831 -5.1498 -5.1498 -5.0533 -5.0533 -5.0102 -5.0102 -2.3047 -2.3047 -2.2152 -2.2152 -2.0781 -2.0781 -2.0475 -2.0475 -1.9207 -1.9207 -1.6604 -1.6604 -0.9101 -0.9101 -0.8916 -0.8916 -0.8823 -0.8823 0.1477 0.1477 0.1653 0.1653 0.2093 0.2093 0.3132 0.3132 0.3689 0.3689 0.4818 0.4818 0.8854 0.8854 0.9484 0.9484 0.9695 0.9695 5.5397 5.5397 5.5710 5.5710 5.6497 5.6497 8.6763 8.6763 9.0596 9.0596 11.2012 11.2012 11.3024 11.3024 11.4392 11.4392 k = 0.5089-0.0052 0.5978 ( 12598 PWs) bands (ev): -67.7606 -67.7606 -39.9758 -39.9758 -39.0181 -39.0181 -39.0180 -39.0180 -21.2386 -21.2386 -21.2372 -21.2372 -19.5919 -19.5919 -18.9900 -18.9900 -18.9769 -18.9769 -18.6532 -18.6532 -18.6244 -18.6244 -18.6186 -18.6186 -5.9792 -5.9792 -5.9539 -5.9539 -5.1820 -5.1820 -5.1507 -5.1507 -5.0533 -5.0533 -5.0099 -5.0099 -2.3045 -2.3045 -2.2154 -2.2154 -2.0729 -2.0729 -2.0530 -2.0530 -1.9210 -1.9210 -1.6602 -1.6602 -0.9059 -0.9059 -0.8940 -0.8940 -0.8841 -0.8841 0.1494 0.1494 0.1637 0.1637 0.2088 0.2088 0.3166 0.3166 0.3658 0.3658 0.4812 0.4812 0.8851 0.8851 0.9501 0.9501 0.9677 0.9677 5.5422 5.5422 5.5704 5.5704 5.6503 5.6503 8.6771 8.6771 9.0599 9.0599 11.2316 11.2316 11.2903 11.2903 11.4238 11.4238 k = 0.5000-0.0000 0.6124 ( 12608 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2379 -21.2379 -21.2378 -21.2378 -19.5919 -19.5919 -18.9900 -18.9900 -18.9769 -18.9769 -18.6532 -18.6532 -18.6244 -18.6244 -18.6187 -18.6187 -5.9790 -5.9790 -5.9540 -5.9540 -5.1815 -5.1815 -5.1511 -5.1511 -5.0533 -5.0533 -5.0097 -5.0097 -2.3045 -2.3045 -2.2156 -2.2156 -2.0704 -2.0704 -2.0560 -2.0560 -1.9212 -1.9212 -1.6601 -1.6601 -0.9040 -0.9040 -0.8951 -0.8951 -0.8849 -0.8849 0.1501 0.1501 0.1631 0.1631 0.2087 0.2087 0.3179 0.3179 0.3646 0.3646 0.4810 0.4810 0.8850 0.8850 0.9508 0.9508 0.9671 0.9671 5.5421 5.5421 5.5690 5.5690 5.6494 5.6494 8.6769 8.6769 9.0587 9.0587 11.2622 11.2622 11.2655 11.2655 11.4190 11.4190 k = 0.5000-0.0000 0.6124 ( 12608 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2379 -21.2379 -21.2378 -21.2378 -19.5919 -19.5919 -18.9900 -18.9900 -18.9769 -18.9769 -18.6532 -18.6532 -18.6244 -18.6244 -18.6187 -18.6187 -5.9790 -5.9790 -5.9540 -5.9540 -5.1815 -5.1815 -5.1511 -5.1511 -5.0533 -5.0533 -5.0097 -5.0097 -2.3045 -2.3045 -2.2156 -2.2156 -2.0704 -2.0704 -2.0560 -2.0560 -1.9212 -1.9212 -1.6601 -1.6601 -0.9040 -0.9040 -0.8951 -0.8951 -0.8849 -0.8849 0.1501 0.1501 0.1631 0.1631 0.2087 0.2087 0.3179 0.3179 0.3646 0.3646 0.4810 0.4810 0.8850 0.8850 0.9508 0.9508 0.9671 0.9671 5.5421 5.5421 5.5690 5.5690 5.6494 5.6494 8.6769 8.6769 9.0587 9.0587 11.2622 11.2622 11.2655 11.2655 11.4190 11.4190 k = 0.5000 0.0107 0.5973 ( 12596 PWs) bands (ev): -67.7605 -67.7605 -39.9758 -39.9758 -39.0181 -39.0181 -39.0180 -39.0180 -21.2379 -21.2379 -21.2378 -21.2378 -19.5919 -19.5919 -18.9900 -18.9900 -18.9769 -18.9769 -18.6532 -18.6532 -18.6244 -18.6244 -18.6187 -18.6187 -5.9791 -5.9791 -5.9541 -5.9541 -5.1816 -5.1816 -5.1511 -5.1511 -5.0534 -5.0534 -5.0100 -5.0100 -2.3041 -2.3041 -2.2155 -2.2155 -2.0702 -2.0702 -2.0556 -2.0556 -1.9208 -1.9208 -1.6603 -1.6603 -0.9073 -0.9073 -0.8932 -0.8932 -0.8833 -0.8833 0.1501 0.1501 0.1630 0.1630 0.2089 0.2089 0.3179 0.3179 0.3645 0.3645 0.4813 0.4813 0.8852 0.8852 0.9508 0.9508 0.9671 0.9671 5.5429 5.5429 5.5699 5.5699 5.6503 5.6503 8.6784 8.6784 9.0596 9.0596 11.2547 11.2547 11.2633 11.2633 11.4269 11.4269 k = 0.5000 0.0214 0.5821 ( 12600 PWs) bands (ev): -67.7606 -67.7606 -39.9758 -39.9758 -39.0182 -39.0182 -39.0180 -39.0180 -21.2380 -21.2380 -21.2379 -21.2379 -19.5917 -19.5917 -18.9899 -18.9899 -18.9769 -18.9769 -18.6532 -18.6532 -18.6244 -18.6244 -18.6187 -18.6187 -5.9793 -5.9793 -5.9543 -5.9543 -5.1820 -5.1820 -5.1511 -5.1511 -5.0539 -5.0539 -5.0109 -5.0109 -2.3036 -2.3036 -2.2157 -2.2157 -2.0701 -2.0701 -2.0545 -2.0545 -1.9201 -1.9201 -1.6607 -1.6607 -0.9137 -0.9137 -0.8907 -0.8907 -0.8791 -0.8791 0.1500 0.1500 0.1629 0.1629 0.2095 0.2095 0.3179 0.3179 0.3644 0.3644 0.4824 0.4824 0.8859 0.8859 0.9509 0.9509 0.9671 0.9671 5.5430 5.5430 5.5698 5.5698 5.6494 5.6494 8.6807 8.6807 9.0590 9.0590 11.2322 11.2322 11.2604 11.2604 11.4464 11.4464 k = 0.5000 0.0321 0.5670 ( 12596 PWs) bands (ev): -67.7605 -67.7605 -39.9758 -39.9758 -39.0181 -39.0181 -39.0180 -39.0180 -21.2381 -21.2381 -21.2379 -21.2379 -19.5915 -19.5915 -18.9897 -18.9897 -18.9770 -18.9770 -18.6532 -18.6532 -18.6244 -18.6244 -18.6187 -18.6187 -5.9797 -5.9797 -5.9547 -5.9547 -5.1826 -5.1826 -5.1511 -5.1511 -5.0546 -5.0546 -5.0123 -5.0123 -2.3024 -2.3024 -2.2160 -2.2160 -2.0703 -2.0703 -2.0522 -2.0522 -1.9187 -1.9187 -1.6615 -1.6615 -0.9209 -0.9209 -0.8883 -0.8883 -0.8736 -0.8736 0.1498 0.1498 0.1626 0.1626 0.2105 0.2105 0.3174 0.3174 0.3646 0.3646 0.4842 0.4842 0.8870 0.8870 0.9509 0.9509 0.9671 0.9671 5.5429 5.5429 5.5698 5.5698 5.6501 5.6501 8.6856 8.6856 9.0581 9.0581 11.2015 11.2015 11.2559 11.2559 11.4721 11.4721 k = 0.5000 0.0428 0.5519 ( 12598 PWs) bands (ev): -67.7606 -67.7606 -39.9758 -39.9758 -39.0181 -39.0181 -39.0180 -39.0180 -21.2383 -21.2383 -21.2380 -21.2380 -19.5911 -19.5911 -18.9895 -18.9895 -18.9771 -18.9771 -18.6532 -18.6532 -18.6244 -18.6244 -18.6187 -18.6187 -5.9801 -5.9801 -5.9553 -5.9553 -5.1834 -5.1834 -5.1511 -5.1511 -5.0557 -5.0557 -5.0143 -5.0143 -2.3010 -2.3010 -2.2165 -2.2165 -2.0712 -2.0712 -2.0486 -2.0486 -1.9170 -1.9170 -1.6626 -1.6626 -0.9286 -0.9286 -0.8855 -0.8855 -0.8677 -0.8677 0.1495 0.1495 0.1622 0.1622 0.2118 0.2118 0.3162 0.3162 0.3656 0.3656 0.4865 0.4865 0.8885 0.8885 0.9511 0.9511 0.9672 0.9672 5.5431 5.5431 5.5700 5.5700 5.6495 5.6495 8.6915 8.6915 9.0565 9.0565 11.1662 11.1662 11.2496 11.2496 11.5003 11.5003 k = 0.5000 0.0535 0.5368 ( 12602 PWs) bands (ev): -67.7607 -67.7607 -39.9759 -39.9759 -39.0181 -39.0181 -39.0180 -39.0180 -21.2386 -21.2386 -21.2381 -21.2381 -19.5907 -19.5907 -18.9892 -18.9892 -18.9772 -18.9772 -18.6532 -18.6532 -18.6244 -18.6244 -18.6187 -18.6187 -5.9808 -5.9808 -5.9560 -5.9560 -5.1845 -5.1845 -5.1511 -5.1511 -5.0569 -5.0569 -5.0168 -5.0168 -2.2991 -2.2991 -2.2172 -2.2172 -2.0729 -2.0729 -2.0433 -2.0433 -1.9149 -1.9149 -1.6639 -1.6639 -0.9366 -0.9366 -0.8823 -0.8823 -0.8618 -0.8618 0.1491 0.1491 0.1618 0.1618 0.2136 0.2136 0.3138 0.3138 0.3678 0.3678 0.4892 0.4892 0.8903 0.8903 0.9512 0.9512 0.9672 0.9672 5.5433 5.5433 5.5701 5.5701 5.6484 5.6484 8.6994 8.6994 9.0539 9.0539 11.1282 11.1282 11.2416 11.2416 11.5297 11.5297 k = 0.5000 0.0642 0.5217 ( 12606 PWs) bands (ev): -67.7608 -67.7608 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2388 -21.2388 -21.2382 -21.2382 -19.5902 -19.5902 -18.9889 -18.9889 -18.9774 -18.9774 -18.6532 -18.6532 -18.6244 -18.6244 -18.6186 -18.6186 -5.9815 -5.9815 -5.9568 -5.9568 -5.1858 -5.1858 -5.1511 -5.1511 -5.0585 -5.0585 -5.0197 -5.0197 -2.2969 -2.2969 -2.2178 -2.2178 -2.0750 -2.0750 -2.0368 -2.0368 -1.9125 -1.9125 -1.6655 -1.6655 -0.9448 -0.9448 -0.8786 -0.8786 -0.8560 -0.8560 0.1487 0.1487 0.1612 0.1612 0.2156 0.2156 0.3102 0.3102 0.3715 0.3715 0.4922 0.4922 0.8925 0.8925 0.9514 0.9514 0.9673 0.9673 5.5435 5.5435 5.5702 5.5702 5.6466 5.6466 8.7086 8.7086 9.0520 9.0520 11.0882 11.0882 11.2320 11.2320 11.5596 11.5596 k = 0.5000 0.0748 0.5065 ( 12608 PWs) bands (ev): -67.7608 -67.7608 -39.9759 -39.9759 -39.0182 -39.0182 -39.0180 -39.0180 -21.2392 -21.2392 -21.2383 -21.2383 -19.5896 -19.5896 -18.9886 -18.9886 -18.9775 -18.9775 -18.6533 -18.6533 -18.6245 -18.6245 -18.6186 -18.6186 -5.9824 -5.9824 -5.9577 -5.9577 -5.1873 -5.1873 -5.1511 -5.1511 -5.0602 -5.0602 -5.0230 -5.0230 -2.2942 -2.2942 -2.2187 -2.2187 -2.0776 -2.0776 -2.0291 -2.0291 -1.9098 -1.9098 -1.6673 -1.6673 -0.9533 -0.9533 -0.8744 -0.8744 -0.8504 -0.8504 0.1482 0.1482 0.1605 0.1605 0.2180 0.2180 0.3054 0.3054 0.3766 0.3766 0.4955 0.4955 0.8950 0.8950 0.9516 0.9516 0.9674 0.9674 5.5440 5.5440 5.5707 5.5707 5.6449 5.6449 8.7199 8.7199 9.0490 9.0490 11.0469 11.0469 11.2207 11.2207 11.5898 11.5898 k = 0.5000 0.0855 0.4914 ( 12612 PWs) bands (ev): -67.7609 -67.7609 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2395 -21.2395 -21.2384 -21.2384 -19.5890 -19.5890 -18.9882 -18.9882 -18.9777 -18.9777 -18.6533 -18.6533 -18.6245 -18.6245 -18.6186 -18.6186 -5.9833 -5.9833 -5.9588 -5.9588 -5.1890 -5.1890 -5.1511 -5.1511 -5.0622 -5.0622 -5.0266 -5.0266 -2.2913 -2.2913 -2.2196 -2.2196 -2.0806 -2.0806 -2.0205 -2.0205 -1.9068 -1.9068 -1.6692 -1.6692 -0.9618 -0.9618 -0.8698 -0.8698 -0.8448 -0.8448 0.1476 0.1476 0.1598 0.1598 0.2208 0.2208 0.2996 0.2996 0.3830 0.3830 0.4988 0.4988 0.8977 0.8977 0.9518 0.9518 0.9676 0.9676 5.5439 5.5439 5.5707 5.5707 5.6435 5.6435 8.7323 8.7323 9.0462 9.0462 11.0045 11.0045 11.2078 11.2078 11.6202 11.6202 k = 0.5000 0.0962 0.4763 ( 12630 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2399 -21.2399 -21.2386 -21.2386 -19.5883 -19.5883 -18.9877 -18.9877 -18.9779 -18.9779 -18.6533 -18.6533 -18.6246 -18.6246 -18.6185 -18.6185 -5.9844 -5.9844 -5.9599 -5.9599 -5.1909 -5.1909 -5.1511 -5.1511 -5.0643 -5.0643 -5.0305 -5.0305 -2.2883 -2.2883 -2.2206 -2.2206 -2.0839 -2.0839 -2.0110 -2.0110 -1.9039 -1.9039 -1.6713 -1.6713 -0.9705 -0.9705 -0.8648 -0.8648 -0.8395 -0.8395 0.1470 0.1470 0.1590 0.1590 0.2237 0.2237 0.2929 0.2929 0.3905 0.3905 0.5023 0.5023 0.9006 0.9006 0.9521 0.9521 0.9678 0.9678 5.5437 5.5437 5.5702 5.5702 5.6398 5.6398 8.7447 8.7447 9.0425 9.0425 10.9612 10.9612 11.1935 11.1935 11.6507 11.6507 k = 0.5000 0.1069 0.4612 ( 12626 PWs) bands (ev): -67.7613 -67.7613 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2404 -21.2404 -21.2387 -21.2387 -19.5875 -19.5875 -18.9872 -18.9872 -18.9781 -18.9781 -18.6534 -18.6534 -18.6246 -18.6246 -18.6185 -18.6185 -5.9856 -5.9856 -5.9611 -5.9611 -5.1929 -5.1929 -5.1511 -5.1511 -5.0665 -5.0665 -5.0346 -5.0346 -2.2849 -2.2849 -2.2216 -2.2216 -2.0871 -2.0871 -2.0007 -2.0007 -1.9006 -1.9006 -1.6735 -1.6735 -0.9793 -0.9793 -0.8596 -0.8596 -0.8343 -0.8343 0.1464 0.1464 0.1582 0.1582 0.2269 0.2269 0.2858 0.2858 0.3989 0.3989 0.5058 0.5058 0.9036 0.9036 0.9524 0.9524 0.9680 0.9680 5.5447 5.5447 5.5713 5.5713 5.6384 5.6384 8.7596 8.7596 9.0398 9.0398 10.9178 10.9178 11.1780 11.1780 11.6816 11.6816 k = 0.5000 0.1176 0.4460 ( 12630 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2408 -21.2408 -21.2389 -21.2389 -19.5867 -19.5867 -18.9867 -18.9867 -18.9783 -18.9783 -18.6535 -18.6535 -18.6247 -18.6247 -18.6184 -18.6184 -5.9868 -5.9868 -5.9624 -5.9624 -5.1952 -5.1952 -5.1511 -5.1511 -5.0689 -5.0689 -5.0389 -5.0389 -2.2813 -2.2813 -2.2225 -2.2225 -2.0906 -2.0906 -1.9900 -1.9900 -1.8972 -1.8972 -1.6757 -1.6757 -0.9881 -0.9881 -0.8542 -0.8542 -0.8293 -0.8293 0.1457 0.1457 0.1573 0.1573 0.2303 0.2303 0.2783 0.2783 0.4078 0.4078 0.5093 0.5093 0.9066 0.9066 0.9527 0.9527 0.9683 0.9683 5.5448 5.5448 5.5716 5.5716 5.6364 5.6364 8.7751 8.7751 9.0369 9.0369 10.8741 10.8741 11.1613 11.1613 11.7129 11.7129 k = 0.5000 0.1283 0.4309 ( 12632 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2413 -21.2413 -21.2391 -21.2391 -19.5859 -19.5859 -18.9862 -18.9862 -18.9785 -18.9785 -18.6536 -18.6536 -18.6248 -18.6248 -18.6183 -18.6183 -5.9882 -5.9882 -5.9636 -5.9636 -5.1975 -5.1975 -5.1511 -5.1511 -5.0713 -5.0713 -5.0432 -5.0432 -2.2774 -2.2774 -2.2236 -2.2236 -2.0942 -2.0942 -1.9788 -1.9788 -1.8938 -1.8938 -1.6779 -1.6779 -0.9968 -0.9968 -0.8488 -0.8488 -0.8244 -0.8244 0.1450 0.1450 0.1564 0.1564 0.2338 0.2338 0.2706 0.2706 0.4171 0.4171 0.5127 0.5127 0.9096 0.9096 0.9531 0.9531 0.9687 0.9687 5.5449 5.5449 5.5721 5.5721 5.6343 5.6343 8.7923 8.7923 9.0335 9.0335 10.8307 10.8307 11.1437 11.1437 11.7445 11.7445 k = 0.5000 0.1390 0.4158 ( 12618 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2418 -21.2418 -21.2392 -21.2392 -19.5850 -19.5850 -18.9857 -18.9857 -18.9787 -18.9787 -18.6537 -18.6537 -18.6249 -18.6249 -18.6181 -18.6181 -5.9895 -5.9895 -5.9649 -5.9649 -5.2000 -5.2000 -5.1511 -5.1511 -5.0737 -5.0737 -5.0475 -5.0475 -2.2733 -2.2733 -2.2245 -2.2245 -2.0976 -2.0976 -1.9674 -1.9674 -1.8902 -1.8902 -1.6801 -1.6801 -1.0054 -1.0054 -0.8433 -0.8433 -0.8197 -0.8197 0.1442 0.1442 0.1555 0.1555 0.2373 0.2373 0.2630 0.2630 0.4267 0.4267 0.5162 0.5162 0.9126 0.9126 0.9536 0.9536 0.9691 0.9691 5.5459 5.5459 5.5739 5.5739 5.6339 5.6339 8.8103 8.8103 9.0316 9.0316 10.7878 10.7878 11.1255 11.1255 11.7767 11.7767 k = 0.5000 0.1497 0.4007 ( 12634 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2423 -21.2423 -21.2394 -21.2394 -19.5842 -19.5842 -18.9851 -18.9851 -18.9789 -18.9789 -18.6538 -18.6538 -18.6250 -18.6250 -18.6180 -18.6180 -5.9909 -5.9909 -5.9662 -5.9662 -5.2026 -5.2026 -5.1512 -5.1512 -5.0761 -5.0761 -5.0517 -5.0517 -2.2694 -2.2694 -2.2258 -2.2258 -2.1011 -2.1011 -1.9561 -1.9561 -1.8870 -1.8870 -1.6823 -1.6823 -1.0138 -1.0138 -0.8380 -0.8380 -0.8152 -0.8152 0.1435 0.1435 0.1546 0.1546 0.2406 0.2406 0.2558 0.2558 0.4362 0.4362 0.5196 0.5196 0.9153 0.9153 0.9541 0.9541 0.9695 0.9695 5.5450 5.5450 5.5734 5.5734 5.6308 5.6308 8.8279 8.8279 9.0270 9.0270 10.7455 10.7455 11.1069 11.1069 11.8093 11.8093 k = 0.5000 0.1604 0.3856 ( 12636 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2427 -21.2427 -21.2396 -21.2396 -19.5834 -19.5834 -18.9846 -18.9846 -18.9792 -18.9792 -18.6539 -18.6539 -18.6251 -18.6251 -18.6178 -18.6178 -5.9924 -5.9924 -5.9674 -5.9674 -5.2051 -5.2051 -5.1512 -5.1512 -5.0784 -5.0784 -5.0559 -5.0559 -2.2653 -2.2653 -2.2269 -2.2269 -2.1045 -2.1045 -1.9448 -1.9448 -1.8837 -1.8837 -1.6843 -1.6843 -1.0221 -1.0221 -0.8328 -0.8328 -0.8108 -0.8108 0.1428 0.1428 0.1537 0.1537 0.2420 0.2420 0.2506 0.2506 0.4455 0.4455 0.5230 0.5230 0.9179 0.9179 0.9547 0.9547 0.9701 0.9701 5.5446 5.5446 5.5743 5.5743 5.6290 5.6290 8.8465 8.8465 9.0234 9.0234 10.7044 10.7044 11.0881 11.0881 11.8425 11.8425 k = 0.5000 0.1711 0.3704 ( 12646 PWs) bands (ev): -67.7619 -67.7619 -39.9760 -39.9760 -39.0184 -39.0184 -39.0182 -39.0182 -21.2432 -21.2432 -21.2397 -21.2397 -19.5825 -19.5825 -18.9841 -18.9841 -18.9794 -18.9794 -18.6541 -18.6541 -18.6252 -18.6252 -18.6177 -18.6177 -5.9938 -5.9938 -5.9686 -5.9686 -5.2077 -5.2077 -5.1513 -5.1513 -5.0806 -5.0806 -5.0599 -5.0599 -2.2613 -2.2613 -2.2281 -2.2281 -2.1079 -2.1079 -1.9338 -1.9338 -1.8805 -1.8805 -1.6864 -1.6864 -1.0300 -1.0300 -0.8279 -0.8279 -0.8066 -0.8066 0.1421 0.1421 0.1528 0.1528 0.2379 0.2379 0.2510 0.2510 0.4544 0.4544 0.5264 0.5264 0.9203 0.9203 0.9553 0.9553 0.9706 0.9706 5.5430 5.5430 5.5746 5.5746 5.6268 5.6268 8.8653 8.8653 9.0192 9.0192 10.6647 10.6647 11.0695 11.0695 11.8761 11.8761 k = 0.5000 0.1818 0.3553 ( 12642 PWs) bands (ev): -67.7618 -67.7618 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2436 -21.2436 -21.2399 -21.2399 -19.5817 -19.5817 -18.9835 -18.9835 -18.9796 -18.9796 -18.6542 -18.6542 -18.6253 -18.6253 -18.6175 -18.6175 -5.9952 -5.9952 -5.9698 -5.9698 -5.2103 -5.2103 -5.1514 -5.1514 -5.0826 -5.0826 -5.0637 -5.0637 -2.2572 -2.2572 -2.2290 -2.2290 -2.1109 -2.1109 -1.9234 -1.9234 -1.8772 -1.8772 -1.6882 -1.6882 -1.0375 -1.0375 -0.8233 -0.8233 -0.8026 -0.8026 0.1415 0.1415 0.1519 0.1519 0.2316 0.2316 0.2540 0.2540 0.4628 0.4628 0.5299 0.5299 0.9223 0.9223 0.9560 0.9560 0.9713 0.9713 5.5430 5.5430 5.5752 5.5752 5.6254 5.6254 8.8851 8.8851 9.0163 9.0163 10.6268 10.6268 11.0514 11.0514 11.9100 11.9100 k = 0.5000 0.1925 0.3402 ( 12636 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2441 -21.2441 -21.2400 -21.2400 -19.5810 -19.5810 -18.9830 -18.9830 -18.9798 -18.9798 -18.6544 -18.6544 -18.6254 -18.6254 -18.6174 -18.6174 -5.9965 -5.9965 -5.9708 -5.9708 -5.2127 -5.2127 -5.1515 -5.1515 -5.0845 -5.0845 -5.0673 -5.0673 -2.2534 -2.2534 -2.2299 -2.2299 -2.1137 -2.1137 -1.9135 -1.9135 -1.8740 -1.8740 -1.6899 -1.6899 -1.0446 -1.0446 -0.8191 -0.8191 -0.7989 -0.7989 0.1409 0.1409 0.1511 0.1511 0.2252 0.2252 0.2573 0.2573 0.4705 0.4705 0.5334 0.5334 0.9241 0.9241 0.9567 0.9567 0.9720 0.9720 5.5430 5.5430 5.5764 5.5764 5.6248 5.6248 8.9033 8.9033 9.0138 9.0138 10.5909 10.5909 11.0340 11.0340 11.9441 11.9441 k = 0.5000 0.2031 0.3251 ( 12630 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2445 -21.2445 -21.2402 -21.2402 -19.5803 -19.5803 -18.9826 -18.9826 -18.9799 -18.9799 -18.6545 -18.6545 -18.6254 -18.6254 -18.6172 -18.6172 -5.9978 -5.9978 -5.9718 -5.9718 -5.2151 -5.2151 -5.1517 -5.1517 -5.0861 -5.0861 -5.0707 -5.0707 -2.2498 -2.2498 -2.2308 -2.2308 -2.1163 -2.1163 -1.9045 -1.9045 -1.8708 -1.8708 -1.6914 -1.6914 -1.0512 -1.0512 -0.8154 -0.8154 -0.7953 -0.7953 0.1403 0.1403 0.1503 0.1503 0.2193 0.2193 0.2605 0.2605 0.4774 0.4774 0.5370 0.5370 0.9256 0.9256 0.9575 0.9575 0.9728 0.9728 5.5430 5.5430 5.5777 5.5777 5.6247 5.6247 8.9211 8.9211 9.0108 9.0108 10.5575 10.5575 11.0176 11.0176 11.9781 11.9781 k = 0.5000 0.2138 0.3100 ( 12632 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2448 -21.2448 -21.2403 -21.2403 -19.5796 -19.5796 -18.9822 -18.9822 -18.9801 -18.9801 -18.6547 -18.6547 -18.6255 -18.6255 -18.6171 -18.6171 -5.9989 -5.9989 -5.9727 -5.9727 -5.2173 -5.2173 -5.1518 -5.1518 -5.0874 -5.0874 -5.0738 -5.0738 -2.2466 -2.2466 -2.2316 -2.2316 -2.1187 -2.1187 -1.8966 -1.8966 -1.8676 -1.8676 -1.6928 -1.6928 -1.0572 -1.0572 -0.8120 -0.8120 -0.7920 -0.7920 0.1398 0.1398 0.1496 0.1496 0.2138 0.2138 0.2635 0.2635 0.4834 0.4834 0.5405 0.5405 0.9268 0.9268 0.9582 0.9582 0.9736 0.9736 5.5425 5.5425 5.5780 5.5780 5.6236 5.6236 8.9372 8.9372 9.0082 9.0082 10.5268 10.5268 11.0025 11.0025 12.0116 12.0116 k = 0.5000 0.2245 0.2948 ( 12634 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2452 -21.2452 -21.2404 -21.2404 -19.5791 -19.5791 -18.9818 -18.9818 -18.9802 -18.9802 -18.6548 -18.6548 -18.6256 -18.6256 -18.6169 -18.6169 -6.0000 -6.0000 -5.9735 -5.9735 -5.2192 -5.2192 -5.1520 -5.1520 -5.0885 -5.0885 -5.0767 -5.0767 -2.2438 -2.2438 -2.2323 -2.2323 -2.1208 -2.1208 -1.8900 -1.8900 -1.8644 -1.8644 -1.6940 -1.6940 -1.0625 -1.0625 -0.8091 -0.8091 -0.7891 -0.7891 0.1393 0.1393 0.1489 0.1489 0.2089 0.2089 0.2662 0.2662 0.4885 0.4885 0.5439 0.5439 0.9278 0.9278 0.9588 0.9588 0.9744 0.9744 5.5419 5.5419 5.5783 5.5783 5.6230 5.6230 8.9520 8.9520 9.0056 9.0056 10.4993 10.4993 10.9889 10.9889 12.0441 12.0441 k = 0.5000 0.2352 0.2797 ( 12636 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2454 -21.2454 -21.2405 -21.2405 -19.5786 -19.5786 -18.9814 -18.9814 -18.9804 -18.9804 -18.6549 -18.6549 -18.6256 -18.6256 -18.6168 -18.6168 -6.0009 -6.0009 -5.9742 -5.9742 -5.2210 -5.2210 -5.1522 -5.1522 -5.0893 -5.0893 -5.0793 -5.0793 -2.2413 -2.2413 -2.2330 -2.2330 -2.1226 -2.1226 -1.8847 -1.8847 -1.8612 -1.8612 -1.6951 -1.6951 -1.0672 -1.0672 -0.8067 -0.8067 -0.7865 -0.7865 0.1389 0.1389 0.1483 0.1483 0.2047 0.2047 0.2686 0.2686 0.4926 0.4926 0.5471 0.5471 0.9286 0.9286 0.9594 0.9594 0.9751 0.9751 5.5414 5.5414 5.5786 5.5786 5.6227 5.6227 8.9654 8.9654 9.0027 9.0027 10.4753 10.4753 10.9770 10.9770 12.0750 12.0750 k = 0.5000 0.2459 0.2646 ( 12630 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2457 -21.2457 -21.2406 -21.2406 -19.5781 -19.5781 -18.9812 -18.9812 -18.9805 -18.9805 -18.6551 -18.6551 -18.6257 -18.6257 -18.6167 -18.6167 -6.0017 -6.0017 -5.9748 -5.9748 -5.2225 -5.2225 -5.1523 -5.1523 -5.0897 -5.0897 -5.0817 -5.0817 -2.2392 -2.2392 -2.2333 -2.2333 -2.1241 -2.1241 -1.8806 -1.8806 -1.8579 -1.8579 -1.6959 -1.6959 -1.0711 -1.0711 -0.8047 -0.8047 -0.7843 -0.7843 0.1386 0.1386 0.1478 0.1478 0.2012 0.2012 0.2707 0.2707 0.4958 0.4958 0.5500 0.5500 0.9291 0.9291 0.9598 0.9598 0.9758 0.9758 5.5412 5.5412 5.5796 5.5796 5.6233 5.6233 8.9772 8.9772 9.0009 9.0009 10.4552 10.4552 10.9670 10.9670 12.1033 12.1033 k = 0.5000 0.2566 0.2495 ( 12640 PWs) bands (ev): -67.7617 -67.7617 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2459 -21.2459 -21.2407 -21.2407 -19.5778 -19.5778 -18.9809 -18.9809 -18.9806 -18.9806 -18.6551 -18.6551 -18.6257 -18.6257 -18.6167 -18.6167 -6.0024 -6.0024 -5.9753 -5.9753 -5.2236 -5.2236 -5.1524 -5.1524 -5.0899 -5.0899 -5.0837 -5.0837 -2.2378 -2.2378 -2.2336 -2.2336 -2.1254 -2.1254 -1.8777 -1.8777 -1.8552 -1.8552 -1.6966 -1.6966 -1.0741 -1.0741 -0.8032 -0.8032 -0.7826 -0.7826 0.1383 0.1383 0.1474 0.1474 0.1985 0.1985 0.2723 0.2723 0.4983 0.4983 0.5524 0.5524 0.9296 0.9296 0.9602 0.9602 0.9764 0.9764 5.5391 5.5391 5.5794 5.5794 5.6228 5.6228 8.9859 8.9859 8.9990 8.9990 10.4391 10.4391 10.9591 10.9591 12.1278 12.1278 k = 0.5000 0.2673 0.2344 ( 12646 PWs) bands (ev): -67.7619 -67.7619 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2460 -21.2460 -21.2407 -21.2407 -19.5776 -19.5776 -18.9808 -18.9808 -18.9806 -18.9806 -18.6552 -18.6552 -18.6257 -18.6257 -18.6166 -18.6166 -6.0028 -6.0028 -5.9756 -5.9756 -5.2245 -5.2245 -5.1525 -5.1525 -5.0897 -5.0897 -5.0855 -5.0855 -2.2371 -2.2371 -2.2335 -2.2335 -2.1263 -2.1263 -1.8759 -1.8759 -1.8530 -1.8530 -1.6971 -1.6971 -1.0764 -1.0764 -0.8021 -0.8021 -0.7814 -0.7814 0.1382 0.1382 0.1471 0.1471 0.1965 0.1965 0.2735 0.2735 0.5000 0.5000 0.5542 0.5542 0.9298 0.9298 0.9604 0.9604 0.9768 0.9768 5.5382 5.5382 5.5792 5.5792 5.6224 5.6224 8.9924 8.9924 8.9974 8.9974 10.4275 10.4275 10.9533 10.9533 12.1469 12.1469 k = 0.5000 0.2780 0.2192 ( 12650 PWs) bands (ev): -67.7620 -67.7620 -39.9761 -39.9761 -39.0184 -39.0184 -39.0183 -39.0183 -21.2461 -21.2461 -21.2407 -21.2407 -19.5774 -19.5774 -18.9807 -18.9807 -18.9807 -18.9807 -18.6553 -18.6553 -18.6257 -18.6257 -18.6166 -18.6166 -6.0031 -6.0031 -5.9758 -5.9758 -5.2250 -5.2250 -5.1526 -5.1526 -5.0892 -5.0892 -5.0869 -5.0869 -2.2368 -2.2368 -2.2334 -2.2334 -2.1269 -2.1269 -1.8748 -1.8748 -1.8516 -1.8516 -1.6974 -1.6974 -1.0777 -1.0777 -0.8014 -0.8014 -0.7806 -0.7806 0.1380 0.1380 0.1469 0.1469 0.1953 0.1953 0.2742 0.2742 0.5010 0.5010 0.5553 0.5553 0.9300 0.9300 0.9606 0.9606 0.9771 0.9771 5.5377 5.5377 5.5792 5.5792 5.6222 5.6222 8.9959 8.9959 8.9966 8.9966 10.4204 10.4204 10.9498 10.9498 12.1582 12.1582 k = 0.5000 0.2887 0.2041 ( 12662 PWs) bands (ev): -67.7624 -67.7624 -39.9761 -39.9761 -39.0184 -39.0184 -39.0183 -39.0183 -21.2461 -21.2461 -21.2407 -21.2407 -19.5774 -19.5774 -18.9807 -18.9807 -18.9807 -18.9807 -18.6553 -18.6553 -18.6257 -18.6257 -18.6166 -18.6166 -6.0032 -6.0032 -5.9758 -5.9758 -5.2252 -5.2252 -5.1526 -5.1526 -5.0887 -5.0887 -5.0877 -5.0877 -2.2369 -2.2369 -2.2335 -2.2335 -2.1271 -2.1271 -1.8745 -1.8745 -1.8512 -1.8512 -1.6975 -1.6975 -1.0782 -1.0782 -0.8012 -0.8012 -0.7803 -0.7803 0.1380 0.1380 0.1469 0.1469 0.1949 0.1949 0.2744 0.2744 0.5013 0.5013 0.5557 0.5557 0.9301 0.9301 0.9606 0.9606 0.9772 0.9772 5.5370 5.5370 5.5784 5.5784 5.6215 5.6215 8.9957 8.9957 8.9959 8.9959 10.4181 10.4181 10.9486 10.9486 12.1610 12.1611 k = 0.5000 0.2887 0.2041 ( 12662 PWs) bands (ev): -67.7624 -67.7624 -39.9761 -39.9761 -39.0184 -39.0184 -39.0183 -39.0183 -21.2461 -21.2461 -21.2407 -21.2407 -19.5774 -19.5774 -18.9807 -18.9807 -18.9807 -18.9807 -18.6553 -18.6553 -18.6257 -18.6257 -18.6166 -18.6166 -6.0032 -6.0032 -5.9758 -5.9758 -5.2252 -5.2252 -5.1526 -5.1526 -5.0887 -5.0887 -5.0877 -5.0877 -2.2369 -2.2369 -2.2335 -2.2335 -2.1271 -2.1271 -1.8745 -1.8745 -1.8512 -1.8512 -1.6975 -1.6975 -1.0782 -1.0782 -0.8012 -0.8012 -0.7803 -0.7803 0.1380 0.1380 0.1469 0.1469 0.1949 0.1949 0.2744 0.2744 0.5013 0.5013 0.5557 0.5557 0.9301 0.9301 0.9606 0.9606 0.9772 0.9772 5.5370 5.5370 5.5784 5.5784 5.6215 5.6215 8.9957 8.9957 8.9959 8.9959 10.4181 10.4181 10.9486 10.9486 12.1610 12.1610 k = 0.4946 0.2855 0.2219 ( 12652 PWs) bands (ev): -67.7620 -67.7620 -39.9761 -39.9761 -39.0184 -39.0184 -39.0183 -39.0183 -21.2461 -21.2461 -21.2407 -21.2407 -19.5774 -19.5774 -18.9807 -18.9807 -18.9807 -18.9807 -18.6553 -18.6553 -18.6257 -18.6257 -18.6166 -18.6166 -6.0031 -6.0031 -5.9758 -5.9758 -5.2250 -5.2250 -5.1526 -5.1526 -5.0892 -5.0892 -5.0869 -5.0869 -2.2368 -2.2368 -2.2334 -2.2334 -2.1269 -2.1269 -1.8748 -1.8748 -1.8517 -1.8517 -1.6974 -1.6974 -1.0777 -1.0777 -0.8014 -0.8014 -0.7806 -0.7806 0.1380 0.1380 0.1469 0.1469 0.1953 0.1953 0.2742 0.2742 0.5010 0.5010 0.5553 0.5553 0.9300 0.9300 0.9606 0.9606 0.9771 0.9771 5.5376 5.5376 5.5790 5.5790 5.6221 5.6221 8.9957 8.9957 8.9965 8.9965 10.4205 10.4205 10.9498 10.9498 12.1581 12.1581 k = 0.4891 0.2824 0.2396 ( 12642 PWs) bands (ev): -67.7617 -67.7617 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2460 -21.2460 -21.2407 -21.2407 -19.5776 -19.5776 -18.9808 -18.9808 -18.9806 -18.9806 -18.6552 -18.6552 -18.6257 -18.6257 -18.6166 -18.6166 -6.0028 -6.0028 -5.9756 -5.9756 -5.2245 -5.2245 -5.1525 -5.1525 -5.0897 -5.0897 -5.0854 -5.0854 -2.2371 -2.2371 -2.2335 -2.2335 -2.1263 -2.1263 -1.8759 -1.8759 -1.8530 -1.8530 -1.6971 -1.6971 -1.0763 -1.0763 -0.8021 -0.8021 -0.7814 -0.7814 0.1382 0.1382 0.1471 0.1471 0.1966 0.1966 0.2734 0.2734 0.4999 0.4999 0.5541 0.5541 0.9298 0.9298 0.9604 0.9604 0.9768 0.9768 5.5385 5.5385 5.5794 5.5794 5.6226 5.6226 8.9921 8.9921 8.9982 8.9982 10.4278 10.4278 10.9534 10.9534 12.1464 12.1464 k = 0.4837 0.2793 0.2574 ( 12637 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2459 -21.2459 -21.2407 -21.2407 -19.5778 -19.5778 -18.9810 -18.9810 -18.9806 -18.9806 -18.6551 -18.6551 -18.6257 -18.6257 -18.6167 -18.6167 -6.0023 -6.0023 -5.9752 -5.9752 -5.2236 -5.2236 -5.1524 -5.1524 -5.0899 -5.0899 -5.0836 -5.0836 -2.2379 -2.2379 -2.2335 -2.2335 -2.1253 -2.1253 -1.8779 -1.8779 -1.8553 -1.8553 -1.6965 -1.6965 -1.0740 -1.0740 -0.8032 -0.8032 -0.7827 -0.7827 0.1384 0.1384 0.1474 0.1474 0.1986 0.1986 0.2722 0.2722 0.4982 0.4982 0.5523 0.5523 0.9295 0.9295 0.9602 0.9602 0.9764 0.9764 5.5397 5.5397 5.5794 5.5794 5.6228 5.6228 8.9857 8.9857 8.9992 8.9992 10.4398 10.4398 10.9594 10.9594 12.1268 12.1268 k = 0.4783 0.2761 0.2751 ( 12632 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2457 -21.2457 -21.2406 -21.2406 -19.5782 -19.5782 -18.9812 -18.9812 -18.9805 -18.9805 -18.6550 -18.6550 -18.6257 -18.6257 -18.6167 -18.6167 -6.0017 -6.0017 -5.9748 -5.9748 -5.2224 -5.2224 -5.1523 -5.1523 -5.0897 -5.0897 -5.0815 -5.0815 -2.2394 -2.2394 -2.2333 -2.2333 -2.1240 -2.1240 -1.8809 -1.8809 -1.8581 -1.8581 -1.6959 -1.6959 -1.0708 -1.0708 -0.8048 -0.8048 -0.7845 -0.7845 0.1386 0.1386 0.1479 0.1479 0.2014 0.2014 0.2706 0.2706 0.4956 0.4956 0.5498 0.5498 0.9291 0.9291 0.9598 0.9598 0.9758 0.9758 5.5408 5.5408 5.5795 5.5795 5.6233 5.6233 8.9759 8.9759 9.0014 9.0014 10.4564 10.4564 10.9676 10.9676 12.1018 12.1018 k = 0.4728 0.2730 0.2929 ( 12637 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2454 -21.2454 -21.2405 -21.2405 -19.5786 -19.5786 -18.9815 -18.9815 -18.9804 -18.9804 -18.6549 -18.6549 -18.6256 -18.6256 -18.6168 -18.6168 -6.0009 -6.0009 -5.9742 -5.9742 -5.2209 -5.2209 -5.1521 -5.1521 -5.0892 -5.0892 -5.0791 -5.0791 -2.2415 -2.2415 -2.2329 -2.2329 -2.1225 -2.1225 -1.8851 -1.8851 -1.8614 -1.8614 -1.6950 -1.6950 -1.0668 -1.0668 -0.8069 -0.8069 -0.7867 -0.7867 0.1390 0.1390 0.1484 0.1484 0.2051 0.2051 0.2685 0.2685 0.4923 0.4923 0.5469 0.5469 0.9285 0.9285 0.9593 0.9593 0.9751 0.9751 5.5412 5.5412 5.5787 5.5787 5.6229 5.6229 8.9640 8.9640 9.0028 9.0028 10.4772 10.4772 10.9779 10.9779 12.0730 12.0730 k = 0.4674 0.2698 0.3106 ( 12642 PWs) bands (ev): -67.7618 -67.7618 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2451 -21.2451 -21.2404 -21.2404 -19.5791 -19.5791 -18.9818 -18.9818 -18.9802 -18.9802 -18.6548 -18.6548 -18.6256 -18.6256 -18.6170 -18.6170 -5.9999 -5.9999 -5.9735 -5.9735 -5.2191 -5.2191 -5.1520 -5.1520 -5.0884 -5.0884 -5.0764 -5.0764 -2.2442 -2.2442 -2.2324 -2.2324 -2.1206 -2.1206 -1.8907 -1.8907 -1.8647 -1.8647 -1.6939 -1.6939 -1.0621 -1.0621 -0.8094 -0.8094 -0.7894 -0.7894 0.1394 0.1394 0.1490 0.1490 0.2094 0.2094 0.2660 0.2660 0.4879 0.4879 0.5436 0.5436 0.9278 0.9278 0.9586 0.9586 0.9744 0.9744 5.5417 5.5417 5.5780 5.5780 5.6228 5.6228 8.9497 8.9497 9.0047 9.0047 10.5019 10.5019 10.9901 10.9901 12.0418 12.0418 k = 0.4620 0.2667 0.3284 ( 12630 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2448 -21.2448 -21.2403 -21.2403 -19.5797 -19.5797 -18.9822 -18.9822 -18.9801 -18.9801 -18.6547 -18.6547 -18.6255 -18.6255 -18.6171 -18.6171 -5.9988 -5.9988 -5.9726 -5.9726 -5.2170 -5.2170 -5.1518 -5.1518 -5.0873 -5.0873 -5.0735 -5.0735 -2.2471 -2.2471 -2.2315 -2.2315 -2.1184 -2.1184 -1.8976 -1.8976 -1.8678 -1.8678 -1.6927 -1.6927 -1.0565 -1.0565 -0.8124 -0.8124 -0.7924 -0.7924 0.1398 0.1398 0.1497 0.1497 0.2144 0.2144 0.2632 0.2632 0.4826 0.4826 0.5402 0.5402 0.9268 0.9268 0.9577 0.9577 0.9737 0.9737 5.5430 5.5430 5.5785 5.5785 5.6241 5.6241 8.9353 8.9353 9.0078 9.0078 10.5302 10.5302 11.0041 11.0041 12.0090 12.0090 k = 0.4565 0.2636 0.3461 ( 12631 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2444 -21.2444 -21.2401 -21.2401 -19.5804 -19.5804 -18.9827 -18.9827 -18.9799 -18.9799 -18.6545 -18.6545 -18.6254 -18.6254 -18.6172 -18.6172 -5.9976 -5.9976 -5.9717 -5.9717 -5.2148 -5.2148 -5.1516 -5.1516 -5.0859 -5.0859 -5.0702 -5.0702 -2.2505 -2.2505 -2.2306 -2.2306 -2.1160 -2.1160 -1.9058 -1.9058 -1.8709 -1.8709 -1.6912 -1.6912 -1.0504 -1.0504 -0.8158 -0.8158 -0.7957 -0.7957 0.1403 0.1403 0.1504 0.1504 0.2200 0.2200 0.2601 0.2601 0.4763 0.4763 0.5368 0.5368 0.9256 0.9256 0.9567 0.9567 0.9732 0.9732 5.5431 5.5431 5.5781 5.5781 5.6246 5.6246 8.9182 8.9182 9.0109 9.0109 10.5617 10.5617 11.0195 11.0195 11.9754 11.9754 k = 0.4511 0.2604 0.3639 ( 12617 PWs) bands (ev): -67.7610 -67.7610 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2440 -21.2440 -21.2400 -21.2400 -19.5811 -19.5811 -18.9831 -18.9831 -18.9797 -18.9797 -18.6544 -18.6544 -18.6254 -18.6254 -18.6174 -18.6174 -5.9963 -5.9963 -5.9707 -5.9707 -5.2124 -5.2124 -5.1515 -5.1515 -5.0842 -5.0842 -5.0668 -5.0668 -2.2541 -2.2541 -2.2293 -2.2293 -2.1132 -2.1132 -1.9150 -1.9150 -1.8739 -1.8739 -1.6896 -1.6896 -1.0437 -1.0437 -0.8198 -0.8198 -0.7993 -0.7993 0.1408 0.1408 0.1513 0.1513 0.2261 0.2261 0.2569 0.2569 0.4690 0.4690 0.5334 0.5334 0.9243 0.9243 0.9553 0.9553 0.9729 0.9729 5.5441 5.5441 5.5787 5.5787 5.6262 5.6262 8.9009 8.9009 9.0160 9.0160 10.5961 10.5961 11.0361 11.0361 11.9414 11.9414 k = 0.4457 0.2573 0.3816 ( 12620 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2436 -21.2436 -21.2398 -21.2398 -19.5819 -19.5819 -18.9837 -18.9837 -18.9795 -18.9795 -18.6542 -18.6542 -18.6253 -18.6253 -18.6175 -18.6175 -5.9950 -5.9950 -5.9696 -5.9696 -5.2100 -5.2100 -5.1513 -5.1513 -5.0823 -5.0823 -5.0630 -5.0630 -2.2582 -2.2582 -2.2282 -2.2282 -2.1104 -2.1104 -1.9251 -1.9251 -1.8770 -1.8770 -1.6879 -1.6879 -1.0364 -1.0364 -0.8241 -0.8241 -0.8032 -0.8032 0.1413 0.1413 0.1522 0.1522 0.2325 0.2325 0.2537 0.2537 0.4608 0.4608 0.5302 0.5302 0.9227 0.9227 0.9537 0.9537 0.9728 0.9728 5.5438 5.5438 5.5787 5.5787 5.6270 5.6270 8.8812 8.8812 9.0195 9.0195 10.6328 10.6328 11.0535 11.0535 11.9073 11.9073 k = 0.4402 0.2542 0.3994 ( 12622 PWs) bands (ev): -67.7612 -67.7612 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2432 -21.2432 -21.2396 -21.2396 -19.5827 -19.5827 -18.9842 -18.9842 -18.9792 -18.9792 -18.6541 -18.6541 -18.6252 -18.6252 -18.6177 -18.6177 -5.9936 -5.9936 -5.9684 -5.9684 -5.2074 -5.2074 -5.1512 -5.1512 -5.0802 -5.0802 -5.0591 -5.0591 -2.2625 -2.2625 -2.2268 -2.2268 -2.1075 -2.1075 -1.9359 -1.9359 -1.8800 -1.8800 -1.6860 -1.6860 -1.0288 -1.0288 -0.8289 -0.8289 -0.8072 -0.8072 0.1418 0.1418 0.1532 0.1532 0.2387 0.2387 0.2509 0.2509 0.4519 0.4519 0.5271 0.5271 0.9209 0.9209 0.9518 0.9518 0.9730 0.9730 5.5427 5.5427 5.5789 5.5789 5.6281 5.6281 8.8606 8.8606 9.0245 9.0245 10.6715 10.6715 11.0713 11.0713 11.8735 11.8735 k = 0.4348 0.2510 0.4171 ( 12628 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2428 -21.2428 -21.2394 -21.2394 -19.5835 -19.5835 -18.9848 -18.9848 -18.9790 -18.9790 -18.6539 -18.6539 -18.6251 -18.6251 -18.6178 -18.6178 -5.9922 -5.9922 -5.9671 -5.9671 -5.2050 -5.2050 -5.1510 -5.1510 -5.0779 -5.0779 -5.0550 -5.0550 -2.2668 -2.2668 -2.2256 -2.2256 -2.1045 -2.1045 -1.9470 -1.9470 -1.8831 -1.8831 -1.6840 -1.6840 -1.0208 -1.0208 -0.8339 -0.8339 -0.8113 -0.8113 0.1421 0.1421 0.1542 0.1542 0.2423 0.2423 0.2511 0.2511 0.4423 0.4423 0.5243 0.5243 0.9189 0.9189 0.9496 0.9496 0.9735 0.9735 5.5413 5.5413 5.5791 5.5791 5.6286 5.6286 8.8410 8.8410 9.0276 9.0276 10.7119 10.7119 11.0891 11.0891 11.8402 11.8402 k = 0.4293 0.2479 0.4349 ( 12640 PWs) bands (ev): -67.7617 -67.7617 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2424 -21.2424 -21.2391 -21.2391 -19.5844 -19.5844 -18.9854 -18.9854 -18.9787 -18.9787 -18.6538 -18.6538 -18.6251 -18.6251 -18.6179 -18.6179 -5.9908 -5.9908 -5.9659 -5.9659 -5.2026 -5.2026 -5.1508 -5.1508 -5.0756 -5.0756 -5.0508 -5.0508 -2.2714 -2.2714 -2.2244 -2.2244 -2.1017 -2.1017 -1.9583 -1.9583 -1.8863 -1.8863 -1.6818 -1.6818 -1.0127 -1.0127 -0.8392 -0.8392 -0.8156 -0.8156 0.1423 0.1423 0.1554 0.1554 0.2408 0.2408 0.2564 0.2564 0.4324 0.4324 0.5216 0.5216 0.9168 0.9168 0.9472 0.9472 0.9742 0.9742 5.5395 5.5395 5.5795 5.5795 5.6290 5.6290 8.8204 8.8204 9.0304 9.0304 10.7535 10.7535 11.1063 11.1063 11.8077 11.8077 k = 0.4239 0.2447 0.4526 ( 12634 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2421 -21.2421 -21.2388 -21.2388 -19.5852 -19.5852 -18.9860 -18.9860 -18.9784 -18.9784 -18.6537 -18.6537 -18.6250 -18.6250 -18.6180 -18.6180 -5.9895 -5.9895 -5.9645 -5.9645 -5.2004 -5.2004 -5.1504 -5.1504 -5.0731 -5.0731 -5.0464 -5.0464 -2.2755 -2.2755 -2.2229 -2.2229 -2.0989 -2.0989 -1.9692 -1.9692 -1.8893 -1.8893 -1.6796 -1.6796 -1.0044 -1.0044 -0.8447 -0.8447 -0.8200 -0.8200 0.1423 0.1423 0.1567 0.1567 0.2379 0.2379 0.2632 0.2632 0.4224 0.4224 0.5190 0.5190 0.9145 0.9145 0.9447 0.9447 0.9752 0.9752 5.5378 5.5378 5.5809 5.5809 5.6306 5.6306 8.8024 8.8024 9.0349 9.0349 10.7961 10.7961 11.1223 11.1223 11.7765 11.7765 k = 0.4185 0.2416 0.4704 ( 12632 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2418 -21.2418 -21.2384 -21.2384 -19.5861 -19.5861 -18.9866 -18.9866 -18.9782 -18.9782 -18.6536 -18.6536 -18.6250 -18.6250 -18.6180 -18.6180 -5.9882 -5.9882 -5.9632 -5.9632 -5.1985 -5.1985 -5.1500 -5.1500 -5.0706 -5.0706 -5.0421 -5.0421 -2.2799 -2.2799 -2.2213 -2.2213 -2.0967 -2.0967 -1.9796 -1.9796 -1.8922 -1.8922 -1.6774 -1.6774 -0.9962 -0.9962 -0.8503 -0.8503 -0.8244 -0.8244 0.1420 0.1420 0.1582 0.1582 0.2350 0.2350 0.2699 0.2699 0.4127 0.4127 0.5167 0.5167 0.9122 0.9122 0.9421 0.9421 0.9763 0.9763 5.5360 5.5360 5.5824 5.5824 5.6323 5.6323 8.7835 8.7835 9.0395 9.0395 10.8389 10.8389 11.1366 11.1366 11.7468 11.7468 k = 0.4130 0.2385 0.4881 ( 12632 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0182 -39.0182 -39.0182 -39.0182 -21.2417 -21.2417 -21.2379 -21.2379 -19.5869 -19.5869 -18.9872 -18.9872 -18.9779 -18.9779 -18.6536 -18.6536 -18.6250 -18.6250 -18.6180 -18.6180 -5.9871 -5.9871 -5.9618 -5.9618 -5.1969 -5.1969 -5.1494 -5.1494 -5.0681 -5.0681 -5.0379 -5.0379 -2.2842 -2.2842 -2.2198 -2.2198 -2.0950 -2.0950 -1.9890 -1.9890 -1.8951 -1.8951 -1.6751 -1.6751 -0.9880 -0.9880 -0.8558 -0.8558 -0.8289 -0.8289 0.1414 0.1414 0.1598 0.1598 0.2323 0.2323 0.2760 0.2760 0.4037 0.4037 0.5144 0.5144 0.9098 0.9098 0.9394 0.9394 0.9777 0.9777 5.5339 5.5339 5.5842 5.5842 5.6335 5.6335 8.7650 8.7650 9.0439 9.0439 10.8816 10.8816 11.1483 11.1483 11.7192 11.7192 k = 0.4076 0.2353 0.5059 ( 12630 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0182 -39.0182 -39.0182 -39.0182 -21.2416 -21.2416 -21.2374 -21.2374 -19.5876 -19.5876 -18.9878 -18.9878 -18.9775 -18.9775 -18.6535 -18.6535 -18.6251 -18.6251 -18.6179 -18.6179 -5.9862 -5.9862 -5.9604 -5.9604 -5.1957 -5.1957 -5.1485 -5.1485 -5.0656 -5.0656 -5.0338 -5.0338 -2.2884 -2.2884 -2.2180 -2.2180 -2.0944 -2.0944 -1.9970 -1.9970 -1.8978 -1.8978 -1.6729 -1.6729 -0.9802 -0.9802 -0.8610 -0.8610 -0.8334 -0.8334 0.1405 0.1405 0.1616 0.1616 0.2298 0.2298 0.2810 0.2810 0.3960 0.3960 0.5123 0.5123 0.9074 0.9074 0.9367 0.9367 0.9791 0.9791 5.5309 5.5309 5.5863 5.5863 5.6354 5.6354 8.7472 8.7472 9.0493 9.0493 10.9234 10.9234 11.1568 11.1568 11.6945 11.6945 k = 0.4022 0.2322 0.5236 ( 12613 PWs) bands (ev): -67.7610 -67.7610 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2417 -21.2417 -21.2368 -21.2368 -19.5883 -19.5883 -18.9883 -18.9883 -18.9772 -18.9772 -18.6535 -18.6535 -18.6252 -18.6252 -18.6178 -18.6178 -5.9854 -5.9854 -5.9590 -5.9590 -5.1950 -5.1950 -5.1475 -5.1475 -5.0631 -5.0631 -5.0299 -5.0299 -2.2922 -2.2922 -2.2161 -2.2161 -2.0950 -2.0950 -2.0029 -2.0029 -1.9003 -1.9003 -1.6707 -1.6707 -0.9728 -0.9728 -0.8659 -0.8659 -0.8379 -0.8379 0.1392 0.1392 0.1635 0.1635 0.2278 0.2278 0.2843 0.2843 0.3900 0.3900 0.5104 0.5104 0.9051 0.9051 0.9341 0.9341 0.9807 0.9807 5.5293 5.5293 5.5894 5.5894 5.6379 5.6379 8.7316 8.7316 9.0557 9.0557 10.9634 10.9634 11.1620 11.1620 11.6736 11.6736 k = 0.3967 0.2291 0.5414 ( 12617 PWs) bands (ev): -67.7611 -67.7611 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2418 -21.2418 -21.2362 -21.2362 -19.5890 -19.5890 -18.9889 -18.9889 -18.9769 -18.9769 -18.6535 -18.6535 -18.6253 -18.6253 -18.6177 -18.6177 -5.9849 -5.9849 -5.9576 -5.9576 -5.1948 -5.1948 -5.1461 -5.1461 -5.0607 -5.0607 -5.0264 -5.0264 -2.2960 -2.2960 -2.2144 -2.2144 -2.0972 -2.0972 -2.0068 -2.0068 -1.9026 -1.9026 -1.6688 -1.6688 -0.9659 -0.9659 -0.8702 -0.8702 -0.8424 -0.8424 0.1377 0.1377 0.1655 0.1655 0.2260 0.2260 0.2856 0.2856 0.3864 0.3864 0.5086 0.5086 0.9028 0.9028 0.9316 0.9316 0.9824 0.9824 5.5264 5.5264 5.5909 5.5909 5.6391 5.6391 8.7157 8.7157 9.0602 9.0602 10.9994 10.9994 11.1643 11.1643 11.6570 11.6570 k = 0.3913 0.2259 0.5591 ( 12624 PWs) bands (ev): -67.7613 -67.7613 -39.9760 -39.9760 -39.0182 -39.0182 -39.0181 -39.0181 -21.2420 -21.2420 -21.2355 -21.2355 -19.5896 -19.5896 -18.9894 -18.9894 -18.9766 -18.9766 -18.6535 -18.6535 -18.6254 -18.6254 -18.6175 -18.6175 -5.9847 -5.9847 -5.9562 -5.9562 -5.1952 -5.1952 -5.1445 -5.1445 -5.0585 -5.0585 -5.0233 -5.0233 -2.2995 -2.2995 -2.2127 -2.2127 -2.1008 -2.1008 -2.0084 -2.0084 -1.9048 -1.9048 -1.6670 -1.6670 -0.9599 -0.9599 -0.8738 -0.8738 -0.8468 -0.8468 0.1359 0.1359 0.1677 0.1677 0.2247 0.2247 0.2846 0.2846 0.3855 0.3855 0.5069 0.5069 0.9006 0.9006 0.9292 0.9292 0.9842 0.9842 5.5229 5.5229 5.5924 5.5924 5.6400 5.6400 8.7014 8.7014 9.0641 9.0641 11.0273 11.0273 11.1671 11.1671 11.6455 11.6455 k = 0.3859 0.2228 0.5769 ( 12619 PWs) bands (ev): -67.7612 -67.7612 -39.9759 -39.9759 -39.0182 -39.0182 -39.0181 -39.0181 -21.2423 -21.2423 -21.2348 -21.2348 -19.5901 -19.5901 -18.9899 -18.9899 -18.9762 -18.9762 -18.6535 -18.6535 -18.6256 -18.6256 -18.6173 -18.6173 -5.9847 -5.9847 -5.9548 -5.9548 -5.1961 -5.1961 -5.1427 -5.1427 -5.0563 -5.0563 -5.0207 -5.0207 -2.3027 -2.3027 -2.2109 -2.2109 -2.1055 -2.1055 -2.0078 -2.0078 -1.9067 -1.9067 -1.6654 -1.6654 -0.9549 -0.9549 -0.8764 -0.8764 -0.8511 -0.8511 0.1340 0.1340 0.1699 0.1699 0.2237 0.2237 0.2814 0.2814 0.3870 0.3870 0.5054 0.5054 0.8986 0.8986 0.9270 0.9270 0.9860 0.9860 5.5198 5.5198 5.5951 5.5951 5.6421 5.6421 8.6885 8.6885 9.0691 9.0691 11.0402 11.0402 11.1766 11.1766 11.6392 11.6392 k = 0.3804 0.2196 0.5946 ( 12627 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2427 -21.2427 -21.2341 -21.2341 -19.5904 -19.5904 -18.9903 -18.9903 -18.9759 -18.9759 -18.6536 -18.6536 -18.6257 -18.6257 -18.6171 -18.6171 -5.9851 -5.9851 -5.9533 -5.9533 -5.1975 -5.1975 -5.1407 -5.1407 -5.0544 -5.0544 -5.0188 -5.0188 -2.3057 -2.3057 -2.2092 -2.2092 -2.1107 -2.1107 -2.0056 -2.0056 -1.9083 -1.9083 -1.6642 -1.6642 -0.9511 -0.9511 -0.8779 -0.8779 -0.8553 -0.8553 0.1319 0.1319 0.1723 0.1723 0.2230 0.2230 0.2766 0.2766 0.3907 0.3907 0.5041 0.5041 0.8968 0.8968 0.9250 0.9250 0.9879 0.9879 5.5162 5.5162 5.5966 5.5966 5.6432 5.6432 8.6760 8.6760 9.0733 9.0733 11.0335 11.0335 11.1972 11.1972 11.6380 11.6380 k = 0.3750 0.2165 0.6124 ( 12632 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2433 -21.2433 -21.2334 -21.2334 -19.5907 -19.5907 -18.9907 -18.9907 -18.9756 -18.9756 -18.6536 -18.6536 -18.6259 -18.6259 -18.6169 -18.6169 -5.9858 -5.9858 -5.9520 -5.9520 -5.1995 -5.1995 -5.1385 -5.1385 -5.0526 -5.0526 -5.0174 -5.0174 -2.3082 -2.3082 -2.2075 -2.2075 -2.1160 -2.1160 -2.0021 -2.0021 -1.9095 -1.9095 -1.6633 -1.6633 -0.9484 -0.9484 -0.8783 -0.8783 -0.8591 -0.8591 0.1299 0.1299 0.1747 0.1747 0.2225 0.2225 0.2710 0.2710 0.3958 0.3958 0.5028 0.5028 0.8952 0.8952 0.9232 0.9232 0.9898 0.9898 5.5133 5.5133 5.5980 5.5980 5.6442 5.6442 8.6654 8.6654 9.0774 9.0774 11.0103 11.0103 11.2261 11.2261 11.6415 11.6415 k = 0.6250-0.0722 0.4082 ( 12632 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2433 -21.2433 -21.2334 -21.2334 -19.5907 -19.5907 -18.9907 -18.9907 -18.9756 -18.9756 -18.6536 -18.6536 -18.6259 -18.6259 -18.6169 -18.6169 -5.9858 -5.9858 -5.9520 -5.9520 -5.1995 -5.1995 -5.1385 -5.1385 -5.0526 -5.0526 -5.0174 -5.0174 -2.3082 -2.3082 -2.2075 -2.2075 -2.1160 -2.1160 -2.0021 -2.0021 -1.9095 -1.9095 -1.6633 -1.6633 -0.9484 -0.9484 -0.8783 -0.8783 -0.8591 -0.8591 0.1299 0.1299 0.1747 0.1747 0.2225 0.2225 0.2710 0.2710 0.3958 0.3958 0.5028 0.5028 0.8952 0.8952 0.9232 0.9232 0.9898 0.9898 5.5133 5.5133 5.5980 5.5980 5.6442 5.6442 8.6654 8.6654 9.0774 9.0774 11.0103 11.0103 11.2261 11.2261 11.6415 11.6415 k = 0.6161-0.0876 0.4082 ( 12626 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2442 -21.2442 -21.2323 -21.2323 -19.5910 -19.5910 -18.9913 -18.9913 -18.9751 -18.9751 -18.6537 -18.6537 -18.6263 -18.6263 -18.6165 -18.6165 -5.9874 -5.9874 -5.9497 -5.9497 -5.2032 -5.2032 -5.1349 -5.1349 -5.0499 -5.0499 -5.0160 -5.0160 -2.3120 -2.3120 -2.2044 -2.2044 -2.1241 -2.1241 -1.9952 -1.9952 -1.9111 -1.9111 -1.6623 -1.6623 -0.9450 -0.9450 -0.8784 -0.8784 -0.8648 -0.8648 0.1265 0.1265 0.1787 0.1787 0.2220 0.2220 0.2613 0.2613 0.4051 0.4051 0.5010 0.5010 0.8928 0.8928 0.9206 0.9206 0.9930 0.9930 5.5089 5.5089 5.6013 5.6013 5.6467 5.6467 8.6499 8.6499 9.0867 9.0867 10.9630 10.9630 11.2749 11.2749 11.6514 11.6514 k = 0.6071-0.1031 0.4082 ( 12632 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2450 -21.2450 -21.2312 -21.2312 -19.5913 -19.5913 -18.9918 -18.9918 -18.9745 -18.9745 -18.6539 -18.6539 -18.6266 -18.6266 -18.6161 -18.6161 -5.9891 -5.9891 -5.9476 -5.9476 -5.2069 -5.2069 -5.1315 -5.1315 -5.0473 -5.0473 -5.0148 -5.0148 -2.3156 -2.3156 -2.2015 -2.2015 -2.1318 -2.1318 -1.9883 -1.9883 -1.9124 -1.9124 -1.6614 -1.6614 -0.9417 -0.9417 -0.8799 -0.8799 -0.8690 -0.8690 0.1233 0.1233 0.1826 0.1826 0.2215 0.2215 0.2520 0.2520 0.4144 0.4144 0.4994 0.4994 0.8906 0.8906 0.9182 0.9182 0.9961 0.9961 5.5040 5.5040 5.6037 5.6037 5.6485 5.6485 8.6347 8.6347 9.0939 9.0939 10.9184 10.9184 11.3175 11.3175 11.6627 11.6627 k = 0.5982-0.1186 0.4082 ( 12634 PWs) bands (ev): -67.7617 -67.7617 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2458 -21.2458 -21.2303 -21.2303 -19.5915 -19.5915 -18.9923 -18.9923 -18.9740 -18.9740 -18.6540 -18.6540 -18.6269 -18.6269 -18.6157 -18.6157 -5.9908 -5.9908 -5.9456 -5.9456 -5.2105 -5.2105 -5.1284 -5.1284 -5.0449 -5.0449 -5.0138 -5.0138 -2.3189 -2.3189 -2.1986 -2.1986 -2.1389 -2.1389 -1.9815 -1.9815 -1.9135 -1.9135 -1.6607 -1.6607 -0.9386 -0.9386 -0.8836 -0.8836 -0.8709 -0.8709 0.1202 0.1202 0.1865 0.1865 0.2210 0.2210 0.2432 0.2432 0.4234 0.4234 0.4979 0.4979 0.8885 0.8885 0.9160 0.9160 0.9992 0.9992 5.4996 5.4996 5.6059 5.6059 5.6503 5.6503 8.6204 8.6204 9.1019 9.1019 10.8768 10.8768 11.3536 11.3536 11.6756 11.6756 k = 0.5893-0.1340 0.4082 ( 12646 PWs) bands (ev): -67.7620 -67.7620 -39.9761 -39.9761 -39.0184 -39.0184 -39.0182 -39.0182 -21.2465 -21.2465 -21.2294 -21.2294 -19.5917 -19.5917 -18.9928 -18.9928 -18.9735 -18.9735 -18.6541 -18.6541 -18.6272 -18.6272 -18.6153 -18.6153 -5.9924 -5.9924 -5.9438 -5.9438 -5.2140 -5.2140 -5.1255 -5.1255 -5.0425 -5.0425 -5.0131 -5.0131 -2.3223 -2.3223 -2.1958 -2.1958 -2.1455 -2.1455 -1.9750 -1.9750 -1.9142 -1.9142 -1.6602 -1.6602 -0.9356 -0.9356 -0.8885 -0.8885 -0.8713 -0.8713 0.1172 0.1172 0.1900 0.1900 0.2205 0.2205 0.2350 0.2350 0.4320 0.4320 0.4965 0.4965 0.8865 0.8865 0.9140 0.9140 1.0021 1.0021 5.4946 5.4946 5.6071 5.6071 5.6512 5.6512 8.6059 8.6059 9.1101 9.1101 10.8382 10.8382 11.3829 11.3829 11.6902 11.6902 k = 0.5804-0.1495 0.4082 ( 12630 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2472 -21.2472 -21.2286 -21.2286 -19.5918 -19.5918 -18.9933 -18.9933 -18.9731 -18.9731 -18.6542 -18.6542 -18.6275 -18.6275 -18.6149 -18.6149 -5.9940 -5.9940 -5.9422 -5.9422 -5.2172 -5.2172 -5.1230 -5.1230 -5.0402 -5.0402 -5.0126 -5.0126 -2.3250 -2.3250 -2.1931 -2.1931 -2.1513 -2.1513 -1.9685 -1.9685 -1.9145 -1.9145 -1.6597 -1.6597 -0.9329 -0.9329 -0.8938 -0.8938 -0.8710 -0.8710 0.1145 0.1145 0.1932 0.1932 0.2198 0.2198 0.2280 0.2280 0.4400 0.4400 0.4955 0.4955 0.8847 0.8847 0.9122 0.9122 1.0049 1.0049 5.4917 5.4917 5.6108 5.6108 5.6541 5.6541 8.5942 8.5942 9.1188 9.1188 10.8029 10.8029 11.4062 11.4062 11.7066 11.7066 k = 0.5714-0.1650 0.4082 ( 12644 PWs) bands (ev): -67.7620 -67.7620 -39.9760 -39.9760 -39.0184 -39.0184 -39.0182 -39.0182 -21.2478 -21.2478 -21.2279 -21.2279 -19.5919 -19.5919 -18.9937 -18.9937 -18.9727 -18.9727 -18.6544 -18.6544 -18.6278 -18.6278 -18.6145 -18.6145 -5.9955 -5.9955 -5.9408 -5.9408 -5.2203 -5.2203 -5.1208 -5.1208 -5.0380 -5.0380 -5.0124 -5.0124 -2.3278 -2.3278 -2.1911 -2.1911 -2.1565 -2.1565 -1.9629 -1.9629 -1.9145 -1.9145 -1.6593 -1.6593 -0.9303 -0.9303 -0.8988 -0.8988 -0.8706 -0.8706 0.1120 0.1120 0.1957 0.1957 0.2178 0.2178 0.2234 0.2234 0.4472 0.4472 0.4947 0.4947 0.8831 0.8831 0.9105 0.9105 1.0075 1.0075 5.4870 5.4870 5.6123 5.6123 5.6553 5.6553 8.5816 8.5816 9.1243 9.1243 10.7709 10.7709 11.4234 11.4234 11.7239 11.7239 k = 0.5625-0.1804 0.4082 ( 12632 PWs) bands (ev): -67.7616 -67.7616 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2484 -21.2484 -21.2273 -21.2273 -19.5920 -19.5920 -18.9940 -18.9940 -18.9723 -18.9723 -18.6545 -18.6545 -18.6280 -18.6280 -18.6142 -18.6142 -5.9969 -5.9969 -5.9395 -5.9395 -5.2230 -5.2230 -5.1189 -5.1189 -5.0359 -5.0359 -5.0123 -5.0123 -2.3300 -2.3300 -2.1892 -2.1892 -2.1608 -2.1608 -1.9578 -1.9578 -1.9139 -1.9139 -1.6590 -1.6590 -0.9281 -0.9281 -0.9035 -0.9035 -0.8702 -0.8702 0.1097 0.1097 0.1971 0.1971 0.2140 0.2140 0.2221 0.2221 0.4536 0.4536 0.4943 0.4943 0.8817 0.8817 0.9090 0.9090 1.0099 1.0099 5.4844 5.4844 5.6151 5.6151 5.6579 5.6579 8.5723 8.5723 9.1311 9.1311 10.7424 10.7424 11.4362 11.4362 11.7040 11.7040 k = 0.5536-0.1959 0.4082 ( 12640 PWs) bands (ev): -67.7619 -67.7619 -39.9760 -39.9760 -39.0184 -39.0184 -39.0182 -39.0182 -21.2489 -21.2489 -21.2268 -21.2268 -19.5921 -19.5921 -18.9944 -18.9944 -18.9719 -18.9719 -18.6546 -18.6546 -18.6282 -18.6282 -18.6139 -18.6139 -5.9981 -5.9981 -5.9385 -5.9385 -5.2254 -5.2254 -5.1174 -5.1174 -5.0340 -5.0340 -5.0124 -5.0124 -2.3320 -2.3320 -2.1880 -2.1880 -2.1642 -2.1642 -1.9537 -1.9537 -1.9131 -1.9131 -1.6588 -1.6588 -0.9261 -0.9261 -0.9078 -0.9078 -0.8697 -0.8697 0.1077 0.1077 0.1967 0.1967 0.2113 0.2113 0.2220 0.2220 0.4590 0.4590 0.4943 0.4943 0.8804 0.8804 0.9078 0.9078 1.0120 1.0120 5.4812 5.4812 5.6161 5.6161 5.6588 5.6588 8.5631 8.5631 9.1355 9.1355 10.7174 10.7174 11.4450 11.4450 11.6850 11.6850 k = 0.5446-0.2114 0.4082 ( 12628 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2493 -21.2493 -21.2263 -21.2263 -19.5921 -19.5921 -18.9946 -18.9946 -18.9716 -18.9716 -18.6547 -18.6547 -18.6284 -18.6284 -18.6137 -18.6137 -5.9991 -5.9991 -5.9376 -5.9376 -5.2275 -5.2275 -5.1160 -5.1160 -5.0322 -5.0322 -5.0126 -5.0126 -2.3336 -2.3336 -2.1870 -2.1870 -2.1666 -2.1666 -1.9504 -1.9504 -1.9119 -1.9119 -1.6586 -1.6586 -0.9244 -0.9244 -0.9115 -0.9115 -0.8693 -0.8693 0.1059 0.1059 0.1945 0.1945 0.2105 0.2105 0.2223 0.2223 0.4633 0.4633 0.4947 0.4947 0.8793 0.8793 0.9067 0.9067 1.0139 1.0139 5.4790 5.4790 5.6180 5.6180 5.6606 5.6606 8.5561 8.5561 9.1427 9.1427 10.6961 10.6961 11.4511 11.4511 11.6689 11.6689 k = 0.5357-0.2268 0.4082 ( 12634 PWs) bands (ev): -67.7617 -67.7617 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2497 -21.2497 -21.2260 -21.2260 -19.5921 -19.5921 -18.9948 -18.9948 -18.9713 -18.9713 -18.6548 -18.6548 -18.6286 -18.6286 -18.6135 -18.6135 -6.0000 -6.0000 -5.9369 -5.9369 -5.2293 -5.2293 -5.1150 -5.1150 -5.0306 -5.0306 -5.0128 -5.0128 -2.3351 -2.3351 -2.1869 -2.1869 -2.1683 -2.1683 -1.9479 -1.9479 -1.9106 -1.9106 -1.6585 -1.6585 -0.9230 -0.9230 -0.9145 -0.9145 -0.8690 -0.8690 0.1045 0.1045 0.1916 0.1916 0.2107 0.2107 0.2228 0.2228 0.4664 0.4664 0.4954 0.4954 0.8784 0.8784 0.9058 0.9058 1.0154 1.0154 5.4751 5.4751 5.6195 5.6195 5.6620 5.6620 8.5494 8.5494 9.1463 9.1463 10.6786 10.6786 11.4549 11.4549 11.6556 11.6556 k = 0.5268-0.2423 0.4082 ( 12630 PWs) bands (ev): -67.7615 -67.7615 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2499 -21.2499 -21.2257 -21.2257 -19.5921 -19.5921 -18.9950 -18.9950 -18.9711 -18.9711 -18.6549 -18.6549 -18.6287 -18.6287 -18.6133 -18.6133 -6.0007 -6.0007 -5.9364 -5.9364 -5.2306 -5.2306 -5.1142 -5.1142 -5.0293 -5.0293 -5.0132 -5.0132 -2.3361 -2.3361 -2.1872 -2.1872 -2.1691 -2.1691 -1.9461 -1.9461 -1.9094 -1.9094 -1.6584 -1.6584 -0.9220 -0.9220 -0.9169 -0.9169 -0.8687 -0.8687 0.1034 0.1034 0.1890 0.1890 0.2111 0.2111 0.2233 0.2233 0.4686 0.4686 0.4963 0.4963 0.8777 0.8777 0.9051 0.9051 1.0166 1.0166 5.4739 5.4739 5.6203 5.6203 5.6628 5.6628 8.5449 8.5449 9.1502 9.1502 10.6649 10.6649 11.4575 11.4575 11.6453 11.6453 k = 0.5179-0.2577 0.4082 ( 12626 PWs) bands (ev): -67.7614 -67.7614 -39.9760 -39.9760 -39.0183 -39.0183 -39.0181 -39.0181 -21.2501 -21.2501 -21.2255 -21.2255 -19.5921 -19.5921 -18.9951 -18.9951 -18.9710 -18.9710 -18.6549 -18.6549 -18.6288 -18.6288 -18.6132 -18.6132 -6.0012 -6.0012 -5.9360 -5.9360 -5.2316 -5.2316 -5.1136 -5.1136 -5.0282 -5.0282 -5.0135 -5.0135 -2.3369 -2.3369 -2.1875 -2.1875 -2.1694 -2.1694 -1.9449 -1.9449 -1.9083 -1.9083 -1.6583 -1.6583 -0.9215 -0.9215 -0.9185 -0.9185 -0.8685 -0.8685 0.1026 0.1026 0.1869 0.1869 0.2114 0.2114 0.2238 0.2238 0.4700 0.4700 0.4972 0.4972 0.8771 0.8771 0.9046 0.9046 1.0175 1.0175 5.4736 5.4736 5.6210 5.6210 5.6635 5.6635 8.5416 8.5416 9.1524 9.1524 10.6551 10.6551 11.4590 11.4590 11.6380 11.6380 k = 0.5089-0.2732 0.4082 ( 12642 PWs) bands (ev): -67.7619 -67.7619 -39.9760 -39.9760 -39.0184 -39.0184 -39.0182 -39.0182 -21.2502 -21.2502 -21.2254 -21.2254 -19.5922 -19.5922 -18.9952 -18.9952 -18.9709 -18.9709 -18.6550 -18.6550 -18.6289 -18.6289 -18.6131 -18.6131 -6.0015 -6.0015 -5.9358 -5.9358 -5.2322 -5.2322 -5.1133 -5.1133 -5.0276 -5.0276 -5.0137 -5.0137 -2.3375 -2.3375 -2.1880 -2.1880 -2.1697 -2.1697 -1.9444 -1.9444 -1.9077 -1.9077 -1.6583 -1.6583 -0.9214 -0.9214 -0.9191 -0.9191 -0.8684 -0.8684 0.1021 0.1021 0.1856 0.1856 0.2117 0.2117 0.2241 0.2241 0.4707 0.4707 0.4978 0.4978 0.8768 0.8768 0.9043 0.9043 1.0180 1.0180 5.4721 5.4721 5.6205 5.6205 5.6629 5.6629 8.5386 8.5386 9.1518 9.1518 10.6492 10.6492 11.4595 11.4595 11.6336 11.6336 k = 0.5000-0.2887 0.4082 ( 12638 PWs) bands (ev): -67.7618 -67.7618 -39.9760 -39.9760 -39.0183 -39.0183 -39.0182 -39.0182 -21.2503 -21.2503 -21.2253 -21.2253 -19.5922 -19.5922 -18.9952 -18.9952 -18.9709 -18.9709 -18.6550 -18.6550 -18.6289 -18.6289 -18.6131 -18.6131 -6.0016 -6.0016 -5.9357 -5.9357 -5.2324 -5.2324 -5.1132 -5.1132 -5.0274 -5.0274 -5.0138 -5.0138 -2.3375 -2.3375 -2.1881 -2.1881 -2.1697 -2.1697 -1.9442 -1.9442 -1.9075 -1.9075 -1.6583 -1.6583 -0.9215 -0.9215 -0.9193 -0.9193 -0.8683 -0.8683 0.1019 0.1019 0.1852 0.1852 0.2117 0.2117 0.2242 0.2242 0.4710 0.4710 0.4980 0.4980 0.8767 0.8767 0.9042 0.9042 1.0182 1.0182 5.4726 5.4726 5.6204 5.6204 5.6628 5.6628 8.5386 8.5386 9.1525 9.1525 10.6472 10.6472 11.4599 11.4599 11.6321 11.6321 Writing output data file Rb2CrF6.save init_run : 0.46s CPU 0.70s WALL ( 1 calls) electrons : 460.61s CPU 465.54s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.03s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 460.60s CPU 465.52s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.22s WALL ( 253 calls) cegterg : 423.42s CPU 426.53s WALL ( 449 calls) Called by sum_band: Called by *egterg: h_psi : 269.34s CPU 271.74s WALL ( 7325 calls) s_psi : 12.66s CPU 12.52s WALL ( 7325 calls) g_psi : 0.79s CPU 0.84s WALL ( 6623 calls) cdiaghg : 96.92s CPU 97.92s WALL ( 6876 calls) cegterg:over : 26.70s CPU 26.60s WALL ( 6623 calls) cegterg:upda : 24.74s CPU 24.80s WALL ( 6623 calls) cegterg:last : 13.30s CPU 13.32s WALL ( 955 calls) cdiaghg:chol : 5.59s CPU 5.77s WALL ( 6876 calls) cdiaghg:inve : 4.07s CPU 4.21s WALL ( 6876 calls) cdiaghg:para : 7.21s CPU 7.21s WALL ( 13752 calls) Called by h_psi: h_psi:vloc : 238.27s CPU 240.49s WALL ( 7325 calls) h_psi:vnl : 29.89s CPU 30.07s WALL ( 7325 calls) add_vuspsi : 14.63s CPU 14.69s WALL ( 7325 calls) General routines calbec : 15.23s CPU 15.35s WALL ( 7325 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 224.77s CPU 226.87s WALL ( 1000012 calls) davcio : 0.30s CPU 0.64s WALL ( 506 calls) Parallel routines fft_scatter : 67.31s CPU 68.07s WALL ( 1000027 calls) PWSCF : 8m22.22s CPU 8m56.29s WALL This run was terminated on: 17:36:26 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=