Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:24:10 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: ./AgN3.save/ 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 62 35 10 1819 775 123 Max 63 36 11 1822 798 125 Sum 2251 1285 377 65537 28421 4469 bravais-lattice index = 14 lattice parameter (alat) = 9.5763 a.u. unit-cell volume = 674.9850 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.576346 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.355150 celldm(5)= -0.355150 celldm(6)= -0.289700 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.289700 0.957118 0.000000 ) a(3) = ( -0.355150 -0.478559 0.803025 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.302680 0.622645 ) b(2) = ( 0.000000 1.044804 0.622645 ) b(3) = ( 0.000000 0.000000 1.245290 ) PseudoPot. # 1 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 N 5.00 14.00670 N( 1.00) Ag 11.00 107.86820 Ag( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.3551501 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.4785588 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.3551501 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.4785588 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0000000 0.0000000 0.0159653), wk = 0.0029674 k( 3) = ( 0.0000000 0.0000000 0.0319305), wk = 0.0029674 k( 4) = ( 0.0000000 0.0000000 0.0478958), wk = 0.0029674 k( 5) = ( 0.0000000 0.0000000 0.0638610), wk = 0.0029674 k( 6) = ( 0.0000000 0.0000000 0.0798263), wk = 0.0029674 k( 7) = ( 0.0000000 0.0000000 0.0957916), wk = 0.0029674 k( 8) = ( 0.0000000 0.0000000 0.1117568), wk = 0.0029674 k( 9) = ( 0.0000000 0.0000000 0.1277221), wk = 0.0029674 k( 10) = ( 0.0000000 0.0000000 0.1436874), wk = 0.0029674 k( 11) = ( 0.0000000 0.0000000 0.1596526), wk = 0.0029674 k( 12) = ( 0.0000000 0.0000000 0.1756179), wk = 0.0029674 k( 13) = ( 0.0000000 0.0000000 0.1915831), wk = 0.0029674 k( 14) = ( 0.0000000 0.0000000 0.2075484), wk = 0.0029674 k( 15) = ( 0.0000000 0.0000000 0.2235137), wk = 0.0029674 k( 16) = ( 0.0000000 0.0000000 0.2394789), wk = 0.0029674 k( 17) = ( 0.0000000 0.0000000 0.2554442), wk = 0.0029674 k( 18) = ( 0.0000000 0.0000000 0.2714095), wk = 0.0029674 k( 19) = ( 0.0000000 0.0000000 0.2873747), wk = 0.0029674 k( 20) = ( 0.0000000 0.0000000 0.3033400), wk = 0.0029674 k( 21) = ( 0.0000000 0.0000000 0.3193053), wk = 0.0029674 k( 22) = ( 0.0000000 0.0000000 0.3352705), wk = 0.0029674 k( 23) = ( 0.0000000 0.0000000 0.3512358), wk = 0.0029674 k( 24) = ( 0.0000000 0.0000000 0.3672010), wk = 0.0029674 k( 25) = ( 0.0000000 0.0000000 0.3831663), wk = 0.0029674 k( 26) = ( 0.0000000 0.0000000 0.3991316), wk = 0.0029674 k( 27) = ( 0.0000000 0.0000000 0.4150968), wk = 0.0029674 k( 28) = ( 0.0000000 0.0000000 0.4310621), wk = 0.0029674 k( 29) = ( 0.0000000 0.0000000 0.4470274), wk = 0.0029674 k( 30) = ( 0.0000000 0.0000000 0.4629926), wk = 0.0029674 k( 31) = ( 0.0000000 0.0000000 0.4789579), wk = 0.0029674 k( 32) = ( 0.0000000 0.0000000 0.4949231), wk = 0.0029674 k( 33) = ( 0.0000000 0.0000000 0.5108884), wk = 0.0029674 k( 34) = ( 0.0000000 0.0000000 0.5268537), wk = 0.0029674 k( 35) = ( 0.0000000 0.0000000 0.5428189), wk = 0.0029674 k( 36) = ( 0.0000000 0.0000000 0.5587842), wk = 0.0029674 k( 37) = ( 0.0000000 0.0000000 0.5747494), wk = 0.0029674 k( 38) = ( 0.0000000 0.0000000 0.5907147), wk = 0.0029674 k( 39) = ( 0.0000000 0.0000000 0.6066800), wk = 0.0029674 k( 40) = ( 0.0000000 0.0000000 0.6226452), wk = 0.0029674 k( 41) = ( 0.0000000 0.0000000 0.6226452), wk = 0.0029674 k( 42) = ( -0.0126091 0.0093575 0.6226452), wk = 0.0029674 k( 43) = ( -0.0252182 0.0187150 0.6226452), wk = 0.0029674 k( 44) = ( -0.0378273 0.0280726 0.6226452), wk = 0.0029674 k( 45) = ( -0.0504364 0.0374301 0.6226452), wk = 0.0029674 k( 46) = ( -0.0630455 0.0467876 0.6226452), wk = 0.0029674 k( 47) = ( -0.0756546 0.0561451 0.6226452), wk = 0.0029674 k( 48) = ( -0.0882637 0.0655027 0.6226452), wk = 0.0029674 k( 49) = ( -0.1008728 0.0748602 0.6226452), wk = 0.0029674 k( 50) = ( -0.1134819 0.0842177 0.6226452), wk = 0.0029674 k( 51) = ( -0.1260911 0.0935752 0.6226452), wk = 0.0029674 k( 52) = ( -0.1387002 0.1029327 0.6226452), wk = 0.0029674 k( 53) = ( -0.1513093 0.1122903 0.6226452), wk = 0.0029674 k( 54) = ( -0.1639184 0.1216478 0.6226452), wk = 0.0029674 k( 55) = ( -0.1765275 0.1310053 0.6226452), wk = 0.0029674 k( 56) = ( -0.1891366 0.1403628 0.6226452), wk = 0.0029674 k( 57) = ( -0.2017457 0.1497204 0.6226452), wk = 0.0029674 k( 58) = ( -0.2143548 0.1590779 0.6226452), wk = 0.0029674 k( 59) = ( -0.2269639 0.1684354 0.6226452), wk = 0.0029674 k( 60) = ( -0.2395730 0.1777929 0.6226452), wk = 0.0029674 k( 61) = ( -0.2521821 0.1871505 0.6226452), wk = 0.0029674 k( 62) = ( -0.2647912 0.1965080 0.6226452), wk = 0.0029674 k( 63) = ( -0.2774003 0.2058655 0.6226452), wk = 0.0029674 k( 64) = ( -0.2900094 0.2152230 0.6226452), wk = 0.0029674 k( 65) = ( -0.3026185 0.2245805 0.6226452), wk = 0.0029674 k( 66) = ( -0.3152276 0.2339381 0.6226452), wk = 0.0029674 k( 67) = ( -0.3278368 0.2432956 0.6226452), wk = 0.0029674 k( 68) = ( -0.3404458 0.2526531 0.6226452), wk = 0.0029674 k( 69) = ( -0.3530550 0.2620106 0.6226452), wk = 0.0029674 k( 70) = ( -0.3656641 0.2713682 0.6226452), wk = 0.0029674 k( 71) = ( -0.3782732 0.2807257 0.6226452), wk = 0.0029674 k( 72) = ( -0.3908823 0.2900832 0.6226452), wk = 0.0029674 k( 73) = ( -0.4034914 0.2994407 0.6226452), wk = 0.0029674 k( 74) = ( -0.4161005 0.3087983 0.6226452), wk = 0.0029674 k( 75) = ( -0.4287096 0.3181558 0.6226452), wk = 0.0029674 k( 76) = ( -0.4413187 0.3275133 0.6226452), wk = 0.0029674 k( 77) = ( -0.4539278 0.3368708 0.6226452), wk = 0.0029674 k( 78) = ( -0.4539278 0.3368708 0.6226452), wk = 0.0029674 k( 79) = ( -0.4616065 0.3425694 0.6130830), wk = 0.0029674 k( 80) = ( -0.4692852 0.3482679 0.6035208), wk = 0.0029674 k( 81) = ( -0.4769639 0.3539665 0.5939586), wk = 0.0029674 k( 82) = ( -0.4769639 0.3539665 0.5939586), wk = 0.0029674 k( 83) = ( -0.4679646 0.3472879 0.5827518), wk = 0.0029674 k( 84) = ( -0.4589653 0.3406092 0.5715451), wk = 0.0029674 k( 85) = ( -0.4499659 0.3339306 0.5603383), wk = 0.0029674 k( 86) = ( -0.4409666 0.3272520 0.5491315), wk = 0.0029674 k( 87) = ( -0.4319673 0.3205734 0.5379248), wk = 0.0029674 k( 88) = ( -0.4229680 0.3138948 0.5267180), wk = 0.0029674 k( 89) = ( -0.4139687 0.3072162 0.5155112), wk = 0.0029674 k( 90) = ( -0.4049694 0.3005376 0.5043045), wk = 0.0029674 k( 91) = ( -0.3959700 0.2938590 0.4930977), wk = 0.0029674 k( 92) = ( -0.3869707 0.2871803 0.4818909), wk = 0.0029674 k( 93) = ( -0.3779714 0.2805017 0.4706842), wk = 0.0029674 k( 94) = ( -0.3689721 0.2738231 0.4594774), wk = 0.0029674 k( 95) = ( -0.3599728 0.2671445 0.4482707), wk = 0.0029674 k( 96) = ( -0.3509734 0.2604659 0.4370639), wk = 0.0029674 k( 97) = ( -0.3419741 0.2537873 0.4258571), wk = 0.0029674 k( 98) = ( -0.3329748 0.2471087 0.4146503), wk = 0.0029674 k( 99) = ( -0.3239755 0.2404301 0.4034436), wk = 0.0029674 k( 100) = ( -0.3149762 0.2337514 0.3922368), wk = 0.0029674 k( 101) = ( -0.3059768 0.2270728 0.3810300), wk = 0.0029674 k( 102) = ( -0.2969775 0.2203942 0.3698233), wk = 0.0029674 k( 103) = ( -0.2879782 0.2137156 0.3586165), wk = 0.0029674 k( 104) = ( -0.2789789 0.2070370 0.3474098), wk = 0.0029674 k( 105) = ( -0.2699796 0.2003584 0.3362030), wk = 0.0029674 k( 106) = ( -0.2609803 0.1936798 0.3249962), wk = 0.0029674 k( 107) = ( -0.2519809 0.1870012 0.3137895), wk = 0.0029674 k( 108) = ( -0.2429816 0.1803225 0.3025827), wk = 0.0029674 k( 109) = ( -0.2339823 0.1736439 0.2913759), wk = 0.0029674 k( 110) = ( -0.2249830 0.1669653 0.2801692), wk = 0.0029674 k( 111) = ( -0.2159836 0.1602867 0.2689624), wk = 0.0029674 k( 112) = ( -0.2069843 0.1536081 0.2577556), wk = 0.0029674 k( 113) = ( -0.1979850 0.1469295 0.2465489), wk = 0.0029674 k( 114) = ( -0.1889857 0.1402509 0.2353421), wk = 0.0029674 k( 115) = ( -0.1799864 0.1335723 0.2241353), wk = 0.0029674 k( 116) = ( -0.1709871 0.1268936 0.2129286), wk = 0.0029674 k( 117) = ( -0.1619877 0.1202150 0.2017218), wk = 0.0029674 k( 118) = ( -0.1529884 0.1135364 0.1905150), wk = 0.0029674 k( 119) = ( -0.1439891 0.1068578 0.1793083), wk = 0.0029674 k( 120) = ( -0.1349898 0.1001792 0.1681015), wk = 0.0029674 k( 121) = ( -0.1259905 0.0935006 0.1568947), wk = 0.0029674 k( 122) = ( -0.1169912 0.0868220 0.1456880), wk = 0.0029674 k( 123) = ( -0.1079918 0.0801434 0.1344812), wk = 0.0029674 k( 124) = ( -0.0989925 0.0734647 0.1232744), wk = 0.0029674 k( 125) = ( -0.0899932 0.0667861 0.1120677), wk = 0.0029674 k( 126) = ( -0.0809939 0.0601075 0.1008609), wk = 0.0029674 k( 127) = ( -0.0719946 0.0534289 0.0896541), wk = 0.0029674 k( 128) = ( -0.0629952 0.0467503 0.0784474), wk = 0.0029674 k( 129) = ( -0.0539959 0.0400717 0.0672406), wk = 0.0029674 k( 130) = ( -0.0449966 0.0333931 0.0560338), wk = 0.0029674 k( 131) = ( -0.0359973 0.0267145 0.0448271), wk = 0.0029674 k( 132) = ( -0.0269980 0.0200358 0.0336203), wk = 0.0029674 k( 133) = ( -0.0179986 0.0133572 0.0224135), wk = 0.0029674 k( 134) = ( -0.0089993 0.0066786 0.0112068), wk = 0.0029674 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 137) = ( 0.0094340 0.0127121 -0.0000000), wk = 0.0029674 k( 138) = ( 0.0188679 0.0254242 -0.0000000), wk = 0.0029674 k( 139) = ( 0.0283019 0.0381363 -0.0000000), wk = 0.0029674 k( 140) = ( 0.0377359 0.0508484 -0.0000000), wk = 0.0029674 k( 141) = ( 0.0471698 0.0635605 -0.0000000), wk = 0.0029674 k( 142) = ( 0.0566038 0.0762726 -0.0000000), wk = 0.0029674 k( 143) = ( 0.0660377 0.0889848 -0.0000000), wk = 0.0029674 k( 144) = ( 0.0754717 0.1016969 -0.0000000), wk = 0.0029674 k( 145) = ( 0.0849057 0.1144090 -0.0000000), wk = 0.0029674 k( 146) = ( 0.0943396 0.1271211 -0.0000000), wk = 0.0029674 k( 147) = ( 0.1037736 0.1398332 -0.0000000), wk = 0.0029674 k( 148) = ( 0.1132076 0.1525453 -0.0000000), wk = 0.0029674 k( 149) = ( 0.1226415 0.1652574 -0.0000000), wk = 0.0029674 k( 150) = ( 0.1320755 0.1779695 -0.0000000), wk = 0.0029674 k( 151) = ( 0.1415094 0.1906816 -0.0000000), wk = 0.0029674 k( 152) = ( 0.1509434 0.2033937 -0.0000000), wk = 0.0029674 k( 153) = ( 0.1603774 0.2161058 -0.0000000), wk = 0.0029674 k( 154) = ( 0.1698113 0.2288179 -0.0000000), wk = 0.0029674 k( 155) = ( 0.1792453 0.2415300 -0.0000000), wk = 0.0029674 k( 156) = ( 0.1886792 0.2542421 -0.0000000), wk = 0.0029674 k( 157) = ( 0.1981132 0.2669542 -0.0000000), wk = 0.0029674 k( 158) = ( 0.2075472 0.2796663 -0.0000000), wk = 0.0029674 k( 159) = ( 0.2169811 0.2923784 -0.0000000), wk = 0.0029674 k( 160) = ( 0.2264151 0.3050905 -0.0000000), wk = 0.0029674 k( 161) = ( 0.2358491 0.3178027 -0.0000000), wk = 0.0029674 k( 162) = ( 0.2452830 0.3305148 -0.0000000), wk = 0.0029674 k( 163) = ( 0.2547170 0.3432269 -0.0000000), wk = 0.0029674 k( 164) = ( 0.2641509 0.3559390 -0.0000000), wk = 0.0029674 k( 165) = ( 0.2735849 0.3686511 -0.0000000), wk = 0.0029674 k( 166) = ( 0.2830189 0.3813632 -0.0000000), wk = 0.0029674 k( 167) = ( 0.2924528 0.3940753 -0.0000000), wk = 0.0029674 k( 168) = ( 0.3018868 0.4067874 -0.0000000), wk = 0.0029674 k( 169) = ( 0.3113207 0.4194995 -0.0000000), wk = 0.0029674 k( 170) = ( 0.3207547 0.4322116 -0.0000000), wk = 0.0029674 k( 171) = ( 0.3301887 0.4449237 -0.0000000), wk = 0.0029674 k( 172) = ( 0.3396226 0.4576358 -0.0000000), wk = 0.0029674 k( 173) = ( 0.3490566 0.4703479 -0.0000000), wk = 0.0029674 k( 174) = ( 0.3584906 0.4830601 -0.0000000), wk = 0.0029674 k( 175) = ( 0.3679245 0.4957722 -0.0000000), wk = 0.0029674 k( 176) = ( 0.3773585 0.5084843 -0.0000000), wk = 0.0029674 k( 177) = ( 0.3867925 0.5211964 -0.0000000), wk = 0.0029674 k( 178) = ( 0.3962264 0.5339085 -0.0000000), wk = 0.0029674 k( 179) = ( 0.4056604 0.5466206 -0.0000000), wk = 0.0029674 k( 180) = ( 0.4150943 0.5593327 -0.0000000), wk = 0.0029674 k( 181) = ( 0.4245283 0.5720448 -0.0000000), wk = 0.0029674 k( 182) = ( 0.4339623 0.5847569 -0.0000000), wk = 0.0029674 k( 183) = ( 0.4433962 0.5974690 -0.0000000), wk = 0.0029674 k( 184) = ( 0.4528302 0.6101811 -0.0000000), wk = 0.0029674 k( 185) = ( 0.4622641 0.6228932 -0.0000000), wk = 0.0029674 k( 186) = ( 0.4716981 0.6356053 -0.0000000), wk = 0.0029674 k( 187) = ( 0.4811321 0.6483174 -0.0000000), wk = 0.0029674 k( 188) = ( 0.4905660 0.6610295 -0.0000000), wk = 0.0029674 k( 189) = ( 0.5000000 0.6737416 -0.0000000), wk = 0.0029674 k( 190) = ( 0.5000000 0.6737416 -0.0000000), wk = 0.0029674 k( 191) = ( 0.4923213 0.6794402 0.0095622), wk = 0.0029674 k( 192) = ( 0.4846426 0.6851387 0.0191244), wk = 0.0029674 k( 193) = ( 0.4769639 0.6908373 0.0286866), wk = 0.0029674 k( 194) = ( 0.4769639 0.6908373 0.0286866), wk = 0.0029674 k( 195) = ( 0.4637149 0.6861585 0.0365376), wk = 0.0029674 k( 196) = ( 0.4504659 0.6814798 0.0443886), wk = 0.0029674 k( 197) = ( 0.4372169 0.6768010 0.0522396), wk = 0.0029674 k( 198) = ( 0.4239679 0.6721222 0.0600906), wk = 0.0029674 k( 199) = ( 0.4107189 0.6674435 0.0679416), wk = 0.0029674 k( 200) = ( 0.3974699 0.6627647 0.0757926), wk = 0.0029674 k( 201) = ( 0.3842209 0.6580860 0.0836436), wk = 0.0029674 k( 202) = ( 0.3709719 0.6534072 0.0914946), wk = 0.0029674 k( 203) = ( 0.3577229 0.6487284 0.0993456), wk = 0.0029674 k( 204) = ( 0.3444739 0.6440497 0.1071966), wk = 0.0029674 k( 205) = ( 0.3312249 0.6393709 0.1150476), wk = 0.0029674 k( 206) = ( 0.3179759 0.6346922 0.1228986), wk = 0.0029674 k( 207) = ( 0.3047269 0.6300134 0.1307496), wk = 0.0029674 k( 208) = ( 0.2914779 0.6253346 0.1386006), wk = 0.0029674 k( 209) = ( 0.2782289 0.6206559 0.1464516), wk = 0.0029674 k( 210) = ( 0.2649799 0.6159771 0.1543026), wk = 0.0029674 k( 211) = ( 0.2517310 0.6112983 0.1621536), wk = 0.0029674 k( 212) = ( 0.2384819 0.6066196 0.1700046), wk = 0.0029674 k( 213) = ( 0.2252329 0.6019408 0.1778556), wk = 0.0029674 k( 214) = ( 0.2119840 0.5972621 0.1857066), wk = 0.0029674 k( 215) = ( 0.1987350 0.5925833 0.1935576), wk = 0.0029674 k( 216) = ( 0.1854860 0.5879045 0.2014086), wk = 0.0029674 k( 217) = ( 0.1722370 0.5832258 0.2092596), wk = 0.0029674 k( 218) = ( 0.1589880 0.5785470 0.2171106), wk = 0.0029674 k( 219) = ( 0.1457390 0.5738683 0.2249616), wk = 0.0029674 k( 220) = ( 0.1324900 0.5691895 0.2328126), wk = 0.0029674 k( 221) = ( 0.1192410 0.5645107 0.2406636), wk = 0.0029674 k( 222) = ( 0.1059920 0.5598320 0.2485146), wk = 0.0029674 k( 223) = ( 0.0927430 0.5551532 0.2563656), wk = 0.0029674 k( 224) = ( 0.0794940 0.5504744 0.2642166), wk = 0.0029674 k( 225) = ( 0.0662450 0.5457957 0.2720676), wk = 0.0029674 k( 226) = ( 0.0529960 0.5411169 0.2799186), wk = 0.0029674 k( 227) = ( 0.0397470 0.5364382 0.2877696), wk = 0.0029674 k( 228) = ( 0.0264980 0.5317594 0.2956206), wk = 0.0029674 k( 229) = ( 0.0132490 0.5270806 0.3034716), wk = 0.0029674 k( 230) = ( 0.0000000 0.5224019 0.3113226), wk = 0.0029674 k( 231) = ( 0.0000000 0.5224019 0.3113226), wk = 0.0029674 k( 232) = ( 0.0089286 0.5157758 0.3224413), wk = 0.0029674 k( 233) = ( 0.0178571 0.5091497 0.3335599), wk = 0.0029674 k( 234) = ( 0.0267857 0.5025236 0.3446786), wk = 0.0029674 k( 235) = ( 0.0357143 0.4958974 0.3557973), wk = 0.0029674 k( 236) = ( 0.0446429 0.4892713 0.3669159), wk = 0.0029674 k( 237) = ( 0.0535714 0.4826452 0.3780346), wk = 0.0029674 k( 238) = ( 0.0625000 0.4760191 0.3891533), wk = 0.0029674 k( 239) = ( 0.0714286 0.4693930 0.4002719), wk = 0.0029674 k( 240) = ( 0.0803571 0.4627669 0.4113906), wk = 0.0029674 k( 241) = ( 0.0892857 0.4561408 0.4225093), wk = 0.0029674 k( 242) = ( 0.0982143 0.4495147 0.4336279), wk = 0.0029674 k( 243) = ( 0.1071429 0.4428886 0.4447466), wk = 0.0029674 k( 244) = ( 0.1160714 0.4362625 0.4558653), wk = 0.0029674 k( 245) = ( 0.1250000 0.4296364 0.4669839), wk = 0.0029674 k( 246) = ( 0.1339286 0.4230102 0.4781026), wk = 0.0029674 k( 247) = ( 0.1428571 0.4163841 0.4892213), wk = 0.0029674 k( 248) = ( 0.1517857 0.4097580 0.5003399), wk = 0.0029674 k( 249) = ( 0.1607143 0.4031319 0.5114586), wk = 0.0029674 k( 250) = ( 0.1696429 0.3965058 0.5225773), wk = 0.0029674 k( 251) = ( 0.1785714 0.3898797 0.5336959), wk = 0.0029674 k( 252) = ( 0.1875000 0.3832536 0.5448146), wk = 0.0029674 k( 253) = ( 0.1964286 0.3766275 0.5559332), wk = 0.0029674 k( 254) = ( 0.2053571 0.3700014 0.5670519), wk = 0.0029674 k( 255) = ( 0.2142857 0.3633753 0.5781706), wk = 0.0029674 k( 256) = ( 0.2232143 0.3567491 0.5892892), wk = 0.0029674 k( 257) = ( 0.2321429 0.3501230 0.6004079), wk = 0.0029674 k( 258) = ( 0.2410714 0.3434969 0.6115266), wk = 0.0029674 k( 259) = ( 0.2500000 0.3368708 0.6226452), wk = 0.0029674 k( 260) = ( 0.2500000 0.3368708 0.6226452), wk = 0.0029674 k( 261) = ( 0.2556818 0.3445270 0.6097982), wk = 0.0029674 k( 262) = ( 0.2613636 0.3521831 0.5969511), wk = 0.0029674 k( 263) = ( 0.2670455 0.3598393 0.5841040), wk = 0.0029674 k( 264) = ( 0.2727273 0.3674954 0.5712569), wk = 0.0029674 k( 265) = ( 0.2784091 0.3751516 0.5584098), wk = 0.0029674 k( 266) = ( 0.2840909 0.3828078 0.5455627), wk = 0.0029674 k( 267) = ( 0.2897727 0.3904639 0.5327156), wk = 0.0029674 k( 268) = ( 0.2954545 0.3981201 0.5198685), wk = 0.0029674 k( 269) = ( 0.3011364 0.4057762 0.5070214), wk = 0.0029674 k( 270) = ( 0.3068182 0.4134324 0.4941743), wk = 0.0029674 k( 271) = ( 0.3125000 0.4210885 0.4813272), wk = 0.0029674 k( 272) = ( 0.3181818 0.4287447 0.4684802), wk = 0.0029674 k( 273) = ( 0.3238636 0.4364008 0.4556331), wk = 0.0029674 k( 274) = ( 0.3295455 0.4440570 0.4427860), wk = 0.0029674 k( 275) = ( 0.3352273 0.4517131 0.4299389), wk = 0.0029674 k( 276) = ( 0.3409091 0.4593693 0.4170918), wk = 0.0029674 k( 277) = ( 0.3465909 0.4670255 0.4042447), wk = 0.0029674 k( 278) = ( 0.3522727 0.4746816 0.3913976), wk = 0.0029674 k( 279) = ( 0.3579545 0.4823378 0.3785505), wk = 0.0029674 k( 280) = ( 0.3636364 0.4899939 0.3657034), wk = 0.0029674 k( 281) = ( 0.3693182 0.4976501 0.3528563), wk = 0.0029674 k( 282) = ( 0.3750000 0.5053062 0.3400093), wk = 0.0029674 k( 283) = ( 0.3806818 0.5129624 0.3271622), wk = 0.0029674 k( 284) = ( 0.3863636 0.5206185 0.3143151), wk = 0.0029674 k( 285) = ( 0.3920455 0.5282747 0.3014680), wk = 0.0029674 k( 286) = ( 0.3977273 0.5359308 0.2886209), wk = 0.0029674 k( 287) = ( 0.4034091 0.5435870 0.2757738), wk = 0.0029674 k( 288) = ( 0.4090909 0.5512432 0.2629267), wk = 0.0029674 k( 289) = ( 0.4147727 0.5588993 0.2500796), wk = 0.0029674 k( 290) = ( 0.4204545 0.5665555 0.2372325), wk = 0.0029674 k( 291) = ( 0.4261364 0.5742116 0.2243854), wk = 0.0029674 k( 292) = ( 0.4318182 0.5818678 0.2115384), wk = 0.0029674 k( 293) = ( 0.4375000 0.5895239 0.1986913), wk = 0.0029674 k( 294) = ( 0.4431818 0.5971801 0.1858442), wk = 0.0029674 k( 295) = ( 0.4488636 0.6048363 0.1729971), wk = 0.0029674 k( 296) = ( 0.4545455 0.6124924 0.1601500), wk = 0.0029674 k( 297) = ( 0.4602273 0.6201486 0.1473029), wk = 0.0029674 k( 298) = ( 0.4659091 0.6278047 0.1344558), wk = 0.0029674 k( 299) = ( 0.4715909 0.6354609 0.1216087), wk = 0.0029674 k( 300) = ( 0.4772727 0.6431170 0.1087616), wk = 0.0029674 k( 301) = ( 0.4829545 0.6507732 0.0959146), wk = 0.0029674 k( 302) = ( 0.4886364 0.6584293 0.0830675), wk = 0.0029674 k( 303) = ( 0.4943182 0.6660855 0.0702204), wk = 0.0029674 k( 304) = ( 0.5000000 0.6737416 0.0573733), wk = 0.0029674 k( 305) = ( 0.5000000 0.6737416 0.0573733), wk = 0.0029674 k( 306) = ( 0.5000000 0.6737416 0.0430300), wk = 0.0029674 k( 307) = ( 0.5000000 0.6737416 0.0286866), wk = 0.0029674 k( 308) = ( 0.5000000 0.6737416 0.0143433), wk = 0.0029674 k( 309) = ( 0.5000000 0.6737416 -0.0000000), wk = 0.0029674 k( 310) = ( 0.0000000 0.0000000 0.6226452), wk = 0.0029674 k( 311) = ( 0.0092593 0.0124767 0.6226452), wk = 0.0029674 k( 312) = ( 0.0185185 0.0249534 0.6226452), wk = 0.0029674 k( 313) = ( 0.0277778 0.0374301 0.6226452), wk = 0.0029674 k( 314) = ( 0.0370370 0.0499068 0.6226452), wk = 0.0029674 k( 315) = ( 0.0462963 0.0623835 0.6226452), wk = 0.0029674 k( 316) = ( 0.0555556 0.0748602 0.6226452), wk = 0.0029674 k( 317) = ( 0.0648148 0.0873369 0.6226452), wk = 0.0029674 k( 318) = ( 0.0740741 0.0998136 0.6226452), wk = 0.0029674 k( 319) = ( 0.0833333 0.1122903 0.6226452), wk = 0.0029674 k( 320) = ( 0.0925926 0.1247670 0.6226452), wk = 0.0029674 k( 321) = ( 0.1018518 0.1372437 0.6226452), wk = 0.0029674 k( 322) = ( 0.1111111 0.1497204 0.6226452), wk = 0.0029674 k( 323) = ( 0.1203704 0.1621971 0.6226452), wk = 0.0029674 k( 324) = ( 0.1296296 0.1746738 0.6226452), wk = 0.0029674 k( 325) = ( 0.1388889 0.1871505 0.6226452), wk = 0.0029674 k( 326) = ( 0.1481482 0.1996272 0.6226452), wk = 0.0029674 k( 327) = ( 0.1574074 0.2121039 0.6226452), wk = 0.0029674 k( 328) = ( 0.1666667 0.2245806 0.6226452), wk = 0.0029674 k( 329) = ( 0.1759259 0.2370573 0.6226452), wk = 0.0029674 k( 330) = ( 0.1851852 0.2495339 0.6226452), wk = 0.0029674 k( 331) = ( 0.1944444 0.2620106 0.6226452), wk = 0.0029674 k( 332) = ( 0.2037037 0.2744873 0.6226452), wk = 0.0029674 k( 333) = ( 0.2129630 0.2869640 0.6226452), wk = 0.0029674 k( 334) = ( 0.2222222 0.2994407 0.6226452), wk = 0.0029674 k( 335) = ( 0.2314815 0.3119174 0.6226452), wk = 0.0029674 k( 336) = ( 0.2407407 0.3243941 0.6226452), wk = 0.0029674 k( 337) = ( 0.2500000 0.3368708 0.6226452), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0029674 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0029674 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0029674 k( 5) = ( 0.0000000 0.0000000 0.0512820), wk = 0.0029674 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0029674 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0029674 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0029674 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0029674 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0029674 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0029674 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0029674 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0029674 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029674 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0029674 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0029674 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0029674 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0029674 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0029674 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0029674 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0029674 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0029674 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0029674 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0029674 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0029674 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0029674 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029674 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0029674 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0029674 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0029674 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0029674 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0029674 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0029674 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0029674 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0029674 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0029674 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0029674 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0029674 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0029674 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 42) = ( -0.0126091 0.0126091 0.5000000), wk = 0.0029674 k( 43) = ( -0.0252182 0.0252182 0.5000000), wk = 0.0029674 k( 44) = ( -0.0378273 0.0378273 0.5000000), wk = 0.0029674 k( 45) = ( -0.0504364 0.0504364 0.5000000), wk = 0.0029674 k( 46) = ( -0.0630455 0.0630455 0.5000000), wk = 0.0029674 k( 47) = ( -0.0756546 0.0756546 0.5000000), wk = 0.0029674 k( 48) = ( -0.0882637 0.0882637 0.5000000), wk = 0.0029674 k( 49) = ( -0.1008728 0.1008728 0.5000000), wk = 0.0029674 k( 50) = ( -0.1134819 0.1134819 0.5000000), wk = 0.0029674 k( 51) = ( -0.1260911 0.1260911 0.5000000), wk = 0.0029674 k( 52) = ( -0.1387002 0.1387002 0.5000000), wk = 0.0029674 k( 53) = ( -0.1513093 0.1513093 0.5000000), wk = 0.0029674 k( 54) = ( -0.1639184 0.1639184 0.5000000), wk = 0.0029674 k( 55) = ( -0.1765275 0.1765275 0.5000000), wk = 0.0029674 k( 56) = ( -0.1891366 0.1891366 0.5000000), wk = 0.0029674 k( 57) = ( -0.2017457 0.2017457 0.5000000), wk = 0.0029674 k( 58) = ( -0.2143548 0.2143548 0.5000000), wk = 0.0029674 k( 59) = ( -0.2269639 0.2269639 0.5000000), wk = 0.0029674 k( 60) = ( -0.2395730 0.2395730 0.5000000), wk = 0.0029674 k( 61) = ( -0.2521821 0.2521821 0.5000000), wk = 0.0029674 k( 62) = ( -0.2647912 0.2647912 0.5000000), wk = 0.0029674 k( 63) = ( -0.2774003 0.2774003 0.5000000), wk = 0.0029674 k( 64) = ( -0.2900094 0.2900094 0.5000000), wk = 0.0029674 k( 65) = ( -0.3026185 0.3026185 0.5000000), wk = 0.0029674 k( 66) = ( -0.3152276 0.3152276 0.5000000), wk = 0.0029674 k( 67) = ( -0.3278368 0.3278367 0.5000000), wk = 0.0029674 k( 68) = ( -0.3404458 0.3404459 0.5000000), wk = 0.0029674 k( 69) = ( -0.3530550 0.3530550 0.5000000), wk = 0.0029674 k( 70) = ( -0.3656641 0.3656641 0.5000000), wk = 0.0029674 k( 71) = ( -0.3782732 0.3782732 0.5000000), wk = 0.0029674 k( 72) = ( -0.3908823 0.3908823 0.5000000), wk = 0.0029674 k( 73) = ( -0.4034914 0.4034914 0.5000000), wk = 0.0029674 k( 74) = ( -0.4161005 0.4161005 0.5000000), wk = 0.0029674 k( 75) = ( -0.4287096 0.4287096 0.5000000), wk = 0.0029674 k( 76) = ( -0.4413187 0.4413187 0.5000000), wk = 0.0029674 k( 77) = ( -0.4539278 0.4539278 0.5000000), wk = 0.0029674 k( 78) = ( -0.4539278 0.4539278 0.5000000), wk = 0.0029674 k( 79) = ( -0.4616065 0.4616065 0.4923213), wk = 0.0029674 k( 80) = ( -0.4692852 0.4692852 0.4846426), wk = 0.0029674 k( 81) = ( -0.4769639 0.4769639 0.4769639), wk = 0.0029674 k( 82) = ( -0.4769639 0.4769639 0.4769639), wk = 0.0029674 k( 83) = ( -0.4679646 0.4679646 0.4679646), wk = 0.0029674 k( 84) = ( -0.4589653 0.4589653 0.4589653), wk = 0.0029674 k( 85) = ( -0.4499659 0.4499659 0.4499659), wk = 0.0029674 k( 86) = ( -0.4409666 0.4409666 0.4409666), wk = 0.0029674 k( 87) = ( -0.4319673 0.4319673 0.4319673), wk = 0.0029674 k( 88) = ( -0.4229680 0.4229680 0.4229680), wk = 0.0029674 k( 89) = ( -0.4139687 0.4139687 0.4139687), wk = 0.0029674 k( 90) = ( -0.4049694 0.4049694 0.4049694), wk = 0.0029674 k( 91) = ( -0.3959700 0.3959700 0.3959700), wk = 0.0029674 k( 92) = ( -0.3869707 0.3869707 0.3869707), wk = 0.0029674 k( 93) = ( -0.3779714 0.3779714 0.3779714), wk = 0.0029674 k( 94) = ( -0.3689721 0.3689721 0.3689721), wk = 0.0029674 k( 95) = ( -0.3599728 0.3599728 0.3599728), wk = 0.0029674 k( 96) = ( -0.3509734 0.3509734 0.3509734), wk = 0.0029674 k( 97) = ( -0.3419741 0.3419741 0.3419741), wk = 0.0029674 k( 98) = ( -0.3329748 0.3329748 0.3329748), wk = 0.0029674 k( 99) = ( -0.3239755 0.3239755 0.3239755), wk = 0.0029674 k( 100) = ( -0.3149762 0.3149762 0.3149762), wk = 0.0029674 k( 101) = ( -0.3059768 0.3059768 0.3059768), wk = 0.0029674 k( 102) = ( -0.2969775 0.2969775 0.2969775), wk = 0.0029674 k( 103) = ( -0.2879782 0.2879782 0.2879782), wk = 0.0029674 k( 104) = ( -0.2789789 0.2789789 0.2789789), wk = 0.0029674 k( 105) = ( -0.2699796 0.2699796 0.2699796), wk = 0.0029674 k( 106) = ( -0.2609803 0.2609803 0.2609803), wk = 0.0029674 k( 107) = ( -0.2519809 0.2519809 0.2519809), wk = 0.0029674 k( 108) = ( -0.2429816 0.2429816 0.2429816), wk = 0.0029674 k( 109) = ( -0.2339823 0.2339823 0.2339823), wk = 0.0029674 k( 110) = ( -0.2249830 0.2249830 0.2249830), wk = 0.0029674 k( 111) = ( -0.2159836 0.2159837 0.2159836), wk = 0.0029674 k( 112) = ( -0.2069843 0.2069843 0.2069843), wk = 0.0029674 k( 113) = ( -0.1979850 0.1979850 0.1979850), wk = 0.0029674 k( 114) = ( -0.1889857 0.1889857 0.1889857), wk = 0.0029674 k( 115) = ( -0.1799864 0.1799864 0.1799864), wk = 0.0029674 k( 116) = ( -0.1709871 0.1709871 0.1709871), wk = 0.0029674 k( 117) = ( -0.1619877 0.1619877 0.1619877), wk = 0.0029674 k( 118) = ( -0.1529884 0.1529884 0.1529884), wk = 0.0029674 k( 119) = ( -0.1439891 0.1439891 0.1439891), wk = 0.0029674 k( 120) = ( -0.1349898 0.1349898 0.1349898), wk = 0.0029674 k( 121) = ( -0.1259905 0.1259905 0.1259905), wk = 0.0029674 k( 122) = ( -0.1169912 0.1169912 0.1169912), wk = 0.0029674 k( 123) = ( -0.1079918 0.1079918 0.1079918), wk = 0.0029674 k( 124) = ( -0.0989925 0.0989925 0.0989925), wk = 0.0029674 k( 125) = ( -0.0899932 0.0899932 0.0899932), wk = 0.0029674 k( 126) = ( -0.0809939 0.0809939 0.0809939), wk = 0.0029674 k( 127) = ( -0.0719946 0.0719946 0.0719946), wk = 0.0029674 k( 128) = ( -0.0629952 0.0629952 0.0629952), wk = 0.0029674 k( 129) = ( -0.0539959 0.0539959 0.0539959), wk = 0.0029674 k( 130) = ( -0.0449966 0.0449966 0.0449966), wk = 0.0029674 k( 131) = ( -0.0359973 0.0359973 0.0359973), wk = 0.0029674 k( 132) = ( -0.0269980 0.0269980 0.0269980), wk = 0.0029674 k( 133) = ( -0.0179986 0.0179986 0.0179986), wk = 0.0029674 k( 134) = ( -0.0089993 0.0089993 0.0089993), wk = 0.0029674 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 137) = ( 0.0094340 0.0094340 -0.0094340), wk = 0.0029674 k( 138) = ( 0.0188679 0.0188679 -0.0188679), wk = 0.0029674 k( 139) = ( 0.0283019 0.0283019 -0.0283019), wk = 0.0029674 k( 140) = ( 0.0377359 0.0377358 -0.0377359), wk = 0.0029674 k( 141) = ( 0.0471698 0.0471698 -0.0471698), wk = 0.0029674 k( 142) = ( 0.0566038 0.0566038 -0.0566038), wk = 0.0029674 k( 143) = ( 0.0660377 0.0660377 -0.0660377), wk = 0.0029674 k( 144) = ( 0.0754717 0.0754717 -0.0754717), wk = 0.0029674 k( 145) = ( 0.0849057 0.0849057 -0.0849057), wk = 0.0029674 k( 146) = ( 0.0943396 0.0943396 -0.0943396), wk = 0.0029674 k( 147) = ( 0.1037736 0.1037736 -0.1037736), wk = 0.0029674 k( 148) = ( 0.1132076 0.1132076 -0.1132076), wk = 0.0029674 k( 149) = ( 0.1226415 0.1226415 -0.1226415), wk = 0.0029674 k( 150) = ( 0.1320755 0.1320755 -0.1320755), wk = 0.0029674 k( 151) = ( 0.1415094 0.1415094 -0.1415094), wk = 0.0029674 k( 152) = ( 0.1509434 0.1509434 -0.1509434), wk = 0.0029674 k( 153) = ( 0.1603774 0.1603774 -0.1603774), wk = 0.0029674 k( 154) = ( 0.1698113 0.1698113 -0.1698113), wk = 0.0029674 k( 155) = ( 0.1792453 0.1792453 -0.1792453), wk = 0.0029674 k( 156) = ( 0.1886792 0.1886792 -0.1886793), wk = 0.0029674 k( 157) = ( 0.1981132 0.1981132 -0.1981132), wk = 0.0029674 k( 158) = ( 0.2075472 0.2075472 -0.2075472), wk = 0.0029674 k( 159) = ( 0.2169811 0.2169811 -0.2169811), wk = 0.0029674 k( 160) = ( 0.2264151 0.2264151 -0.2264151), wk = 0.0029674 k( 161) = ( 0.2358491 0.2358491 -0.2358491), wk = 0.0029674 k( 162) = ( 0.2452830 0.2452830 -0.2452830), wk = 0.0029674 k( 163) = ( 0.2547170 0.2547170 -0.2547170), wk = 0.0029674 k( 164) = ( 0.2641509 0.2641509 -0.2641509), wk = 0.0029674 k( 165) = ( 0.2735849 0.2735849 -0.2735849), wk = 0.0029674 k( 166) = ( 0.2830189 0.2830189 -0.2830189), wk = 0.0029674 k( 167) = ( 0.2924528 0.2924528 -0.2924528), wk = 0.0029674 k( 168) = ( 0.3018868 0.3018868 -0.3018868), wk = 0.0029674 k( 169) = ( 0.3113207 0.3113207 -0.3113207), wk = 0.0029674 k( 170) = ( 0.3207547 0.3207547 -0.3207547), wk = 0.0029674 k( 171) = ( 0.3301887 0.3301887 -0.3301887), wk = 0.0029674 k( 172) = ( 0.3396226 0.3396226 -0.3396226), wk = 0.0029674 k( 173) = ( 0.3490566 0.3490566 -0.3490566), wk = 0.0029674 k( 174) = ( 0.3584906 0.3584906 -0.3584906), wk = 0.0029674 k( 175) = ( 0.3679245 0.3679245 -0.3679245), wk = 0.0029674 k( 176) = ( 0.3773585 0.3773585 -0.3773585), wk = 0.0029674 k( 177) = ( 0.3867925 0.3867925 -0.3867925), wk = 0.0029674 k( 178) = ( 0.3962264 0.3962264 -0.3962264), wk = 0.0029674 k( 179) = ( 0.4056604 0.4056604 -0.4056604), wk = 0.0029674 k( 180) = ( 0.4150943 0.4150943 -0.4150943), wk = 0.0029674 k( 181) = ( 0.4245283 0.4245283 -0.4245283), wk = 0.0029674 k( 182) = ( 0.4339623 0.4339623 -0.4339623), wk = 0.0029674 k( 183) = ( 0.4433962 0.4433962 -0.4433962), wk = 0.0029674 k( 184) = ( 0.4528302 0.4528302 -0.4528302), wk = 0.0029674 k( 185) = ( 0.4622641 0.4622641 -0.4622642), wk = 0.0029674 k( 186) = ( 0.4716981 0.4716981 -0.4716981), wk = 0.0029674 k( 187) = ( 0.4811321 0.4811321 -0.4811321), wk = 0.0029674 k( 188) = ( 0.4905660 0.4905660 -0.4905660), wk = 0.0029674 k( 189) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029674 k( 190) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029674 k( 191) = ( 0.4923213 0.5076787 -0.4923213), wk = 0.0029674 k( 192) = ( 0.4846426 0.5153574 -0.4846426), wk = 0.0029674 k( 193) = ( 0.4769639 0.5230361 -0.4769639), wk = 0.0029674 k( 194) = ( 0.4769639 0.5230361 -0.4769639), wk = 0.0029674 k( 195) = ( 0.4637149 0.5223962 -0.4637149), wk = 0.0029674 k( 196) = ( 0.4504659 0.5217563 -0.4504659), wk = 0.0029674 k( 197) = ( 0.4372169 0.5211164 -0.4372169), wk = 0.0029674 k( 198) = ( 0.4239679 0.5204765 -0.4239679), wk = 0.0029674 k( 199) = ( 0.4107189 0.5198366 -0.4107189), wk = 0.0029674 k( 200) = ( 0.3974699 0.5191967 -0.3974699), wk = 0.0029674 k( 201) = ( 0.3842209 0.5185569 -0.3842209), wk = 0.0029674 k( 202) = ( 0.3709719 0.5179170 -0.3709719), wk = 0.0029674 k( 203) = ( 0.3577229 0.5172771 -0.3577229), wk = 0.0029674 k( 204) = ( 0.3444739 0.5166372 -0.3444739), wk = 0.0029674 k( 205) = ( 0.3312249 0.5159973 -0.3312249), wk = 0.0029674 k( 206) = ( 0.3179759 0.5153574 -0.3179759), wk = 0.0029674 k( 207) = ( 0.3047269 0.5147175 -0.3047269), wk = 0.0029674 k( 208) = ( 0.2914779 0.5140776 -0.2914779), wk = 0.0029674 k( 209) = ( 0.2782289 0.5134377 -0.2782289), wk = 0.0029674 k( 210) = ( 0.2649799 0.5127978 -0.2649799), wk = 0.0029674 k( 211) = ( 0.2517310 0.5121579 -0.2517310), wk = 0.0029674 k( 212) = ( 0.2384819 0.5115180 -0.2384819), wk = 0.0029674 k( 213) = ( 0.2252329 0.5108782 -0.2252329), wk = 0.0029674 k( 214) = ( 0.2119840 0.5102383 -0.2119840), wk = 0.0029674 k( 215) = ( 0.1987350 0.5095984 -0.1987350), wk = 0.0029674 k( 216) = ( 0.1854860 0.5089585 -0.1854860), wk = 0.0029674 k( 217) = ( 0.1722370 0.5083186 -0.1722370), wk = 0.0029674 k( 218) = ( 0.1589880 0.5076787 -0.1589880), wk = 0.0029674 k( 219) = ( 0.1457390 0.5070388 -0.1457390), wk = 0.0029674 k( 220) = ( 0.1324900 0.5063989 -0.1324900), wk = 0.0029674 k( 221) = ( 0.1192410 0.5057590 -0.1192410), wk = 0.0029674 k( 222) = ( 0.1059920 0.5051191 -0.1059920), wk = 0.0029674 k( 223) = ( 0.0927430 0.5044792 -0.0927430), wk = 0.0029674 k( 224) = ( 0.0794940 0.5038393 -0.0794940), wk = 0.0029674 k( 225) = ( 0.0662450 0.5031995 -0.0662450), wk = 0.0029674 k( 226) = ( 0.0529960 0.5025596 -0.0529960), wk = 0.0029674 k( 227) = ( 0.0397470 0.5019197 -0.0397470), wk = 0.0029674 k( 228) = ( 0.0264980 0.5012798 -0.0264980), wk = 0.0029674 k( 229) = ( 0.0132490 0.5006399 -0.0132490), wk = 0.0029674 k( 230) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029674 k( 231) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029674 k( 232) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0029674 k( 233) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0029674 k( 234) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0029674 k( 235) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0029674 k( 236) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0029674 k( 237) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0029674 k( 238) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0029674 k( 239) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0029674 k( 240) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0029674 k( 241) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0029674 k( 242) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0029674 k( 243) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0029674 k( 244) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0029674 k( 245) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0029674 k( 246) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0029674 k( 247) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0029674 k( 248) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0029674 k( 249) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0029674 k( 250) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0029674 k( 251) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0029674 k( 252) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0029674 k( 253) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0029674 k( 254) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0029674 k( 255) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0029674 k( 256) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0029674 k( 257) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0029674 k( 258) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0029674 k( 259) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029674 k( 260) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029674 k( 261) = ( 0.2556818 0.2556818 0.2340016), wk = 0.0029674 k( 262) = ( 0.2613636 0.2613636 0.2180033), wk = 0.0029674 k( 263) = ( 0.2670455 0.2670455 0.2020049), wk = 0.0029674 k( 264) = ( 0.2727273 0.2727273 0.1860066), wk = 0.0029674 k( 265) = ( 0.2784091 0.2784091 0.1700082), wk = 0.0029674 k( 266) = ( 0.2840909 0.2840909 0.1540099), wk = 0.0029674 k( 267) = ( 0.2897727 0.2897727 0.1380115), wk = 0.0029674 k( 268) = ( 0.2954545 0.2954545 0.1220131), wk = 0.0029674 k( 269) = ( 0.3011364 0.3011364 0.1060148), wk = 0.0029674 k( 270) = ( 0.3068182 0.3068182 0.0900164), wk = 0.0029674 k( 271) = ( 0.3125000 0.3125000 0.0740181), wk = 0.0029674 k( 272) = ( 0.3181818 0.3181818 0.0580197), wk = 0.0029674 k( 273) = ( 0.3238636 0.3238636 0.0420213), wk = 0.0029674 k( 274) = ( 0.3295455 0.3295455 0.0260230), wk = 0.0029674 k( 275) = ( 0.3352273 0.3352273 0.0100246), wk = 0.0029674 k( 276) = ( 0.3409091 0.3409091 -0.0059738), wk = 0.0029674 k( 277) = ( 0.3465909 0.3465909 -0.0219721), wk = 0.0029674 k( 278) = ( 0.3522727 0.3522727 -0.0379705), wk = 0.0029674 k( 279) = ( 0.3579545 0.3579545 -0.0539688), wk = 0.0029674 k( 280) = ( 0.3636364 0.3636364 -0.0699672), wk = 0.0029674 k( 281) = ( 0.3693182 0.3693182 -0.0859655), wk = 0.0029674 k( 282) = ( 0.3750000 0.3750000 -0.1019639), wk = 0.0029674 k( 283) = ( 0.3806818 0.3806818 -0.1179623), wk = 0.0029674 k( 284) = ( 0.3863636 0.3863636 -0.1339606), wk = 0.0029674 k( 285) = ( 0.3920455 0.3920455 -0.1499590), wk = 0.0029674 k( 286) = ( 0.3977273 0.3977273 -0.1659573), wk = 0.0029674 k( 287) = ( 0.4034091 0.4034091 -0.1819557), wk = 0.0029674 k( 288) = ( 0.4090909 0.4090909 -0.1979541), wk = 0.0029674 k( 289) = ( 0.4147727 0.4147727 -0.2139524), wk = 0.0029674 k( 290) = ( 0.4204545 0.4204545 -0.2299508), wk = 0.0029674 k( 291) = ( 0.4261364 0.4261364 -0.2459491), wk = 0.0029674 k( 292) = ( 0.4318182 0.4318182 -0.2619475), wk = 0.0029674 k( 293) = ( 0.4375000 0.4375000 -0.2779459), wk = 0.0029674 k( 294) = ( 0.4431818 0.4431818 -0.2939442), wk = 0.0029674 k( 295) = ( 0.4488636 0.4488636 -0.3099426), wk = 0.0029674 k( 296) = ( 0.4545455 0.4545455 -0.3259409), wk = 0.0029674 k( 297) = ( 0.4602273 0.4602273 -0.3419393), wk = 0.0029674 k( 298) = ( 0.4659091 0.4659091 -0.3579377), wk = 0.0029674 k( 299) = ( 0.4715909 0.4715909 -0.3739360), wk = 0.0029674 k( 300) = ( 0.4772727 0.4772727 -0.3899344), wk = 0.0029674 k( 301) = ( 0.4829545 0.4829546 -0.4059327), wk = 0.0029674 k( 302) = ( 0.4886364 0.4886364 -0.4219311), wk = 0.0029674 k( 303) = ( 0.4943182 0.4943182 -0.4379294), wk = 0.0029674 k( 304) = ( 0.5000000 0.5000000 -0.4539278), wk = 0.0029674 k( 305) = ( 0.5000000 0.5000000 -0.4539278), wk = 0.0029674 k( 306) = ( 0.5000000 0.5000000 -0.4654459), wk = 0.0029674 k( 307) = ( 0.5000000 0.5000000 -0.4769639), wk = 0.0029674 k( 308) = ( 0.5000000 0.5000000 -0.4884820), wk = 0.0029674 k( 309) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029674 k( 310) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 311) = ( 0.0092593 0.0092593 0.4907407), wk = 0.0029674 k( 312) = ( 0.0185185 0.0185185 0.4814815), wk = 0.0029674 k( 313) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0029674 k( 314) = ( 0.0370370 0.0370370 0.4629630), wk = 0.0029674 k( 315) = ( 0.0462963 0.0462963 0.4537037), wk = 0.0029674 k( 316) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0029674 k( 317) = ( 0.0648148 0.0648148 0.4351852), wk = 0.0029674 k( 318) = ( 0.0740741 0.0740741 0.4259259), wk = 0.0029674 k( 319) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0029674 k( 320) = ( 0.0925926 0.0925926 0.4074074), wk = 0.0029674 k( 321) = ( 0.1018518 0.1018518 0.3981481), wk = 0.0029674 k( 322) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0029674 k( 323) = ( 0.1203704 0.1203704 0.3796296), wk = 0.0029674 k( 324) = ( 0.1296296 0.1296296 0.3703704), wk = 0.0029674 k( 325) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0029674 k( 326) = ( 0.1481482 0.1481482 0.3518519), wk = 0.0029674 k( 327) = ( 0.1574074 0.1574074 0.3425926), wk = 0.0029674 k( 328) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029674 k( 329) = ( 0.1759259 0.1759259 0.3240741), wk = 0.0029674 k( 330) = ( 0.1851852 0.1851852 0.3148148), wk = 0.0029674 k( 331) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0029674 k( 332) = ( 0.2037037 0.2037037 0.2962963), wk = 0.0029674 k( 333) = ( 0.2129630 0.2129630 0.2870370), wk = 0.0029674 k( 334) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0029674 k( 335) = ( 0.2314815 0.2314815 0.2685185), wk = 0.0029674 k( 336) = ( 0.2407407 0.2407407 0.2592593), wk = 0.0029674 k( 337) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029674 Dense grid: 65537 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 28421 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 204, 62) NL pseudopotentials 0.24 Mb ( 102, 152) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1820) G-vector shells 0.01 Mb ( 851) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 204, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.29 Mb ( 152, 2, 62) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./AgN3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.6 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.6 secs Computing kpt #: 8 total cpu time spent up to now is 6.1 secs Computing kpt #: 9 total cpu time spent up to now is 6.6 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.2 secs Computing kpt #: 13 total cpu time spent up to now is 8.7 secs Computing kpt #: 14 total cpu time spent up to now is 9.2 secs Computing kpt #: 15 total cpu time spent up to now is 9.7 secs Computing kpt #: 16 total cpu time spent up to now is 10.2 secs Computing kpt #: 17 total cpu time spent up to now is 10.7 secs Computing kpt #: 18 total cpu time spent up to now is 11.2 secs Computing kpt #: 19 total cpu time spent up to now is 11.7 secs Computing kpt #: 20 total cpu time spent up to now is 12.2 secs Computing kpt #: 21 total cpu time spent up to now is 12.6 secs Computing kpt #: 22 total cpu time spent up to now is 13.1 secs Computing kpt #: 23 total cpu time spent up to now is 13.6 secs Computing kpt #: 24 total cpu time spent up to now is 14.1 secs Computing kpt #: 25 total cpu time spent up to now is 14.6 secs Computing kpt #: 26 total cpu time spent up to now is 15.1 secs Computing kpt #: 27 total cpu time spent up to now is 15.7 secs Computing kpt #: 28 total cpu time spent up to now is 16.2 secs Computing kpt #: 29 total cpu time spent up to now is 16.7 secs Computing kpt #: 30 total cpu time spent up to now is 17.2 secs Computing kpt #: 31 total cpu time spent up to now is 17.7 secs Computing kpt #: 32 total cpu time spent up to now is 18.3 secs Computing kpt #: 33 total cpu time spent up to now is 18.8 secs Computing kpt #: 34 total cpu time spent up to now is 19.4 secs Computing kpt #: 35 total cpu time spent up to now is 19.9 secs Computing kpt #: 36 total cpu time spent up to now is 20.4 secs Computing kpt #: 37 total cpu time spent up to now is 21.0 secs Computing kpt #: 38 total cpu time spent up to now is 21.6 secs Computing kpt #: 39 total cpu time spent up to now is 22.1 secs Computing kpt #: 40 total cpu time spent up to now is 22.6 secs Computing kpt #: 41 total cpu time spent up to now is 23.1 secs Computing kpt #: 42 total cpu time spent up to now is 23.6 secs Computing kpt #: 43 total cpu time spent up to now is 24.1 secs Computing kpt #: 44 total cpu time spent up to now is 24.6 secs Computing kpt #: 45 total cpu time spent up to now is 25.1 secs Computing kpt #: 46 total cpu time spent up to now is 25.6 secs Computing kpt #: 47 total cpu time spent up to now is 26.1 secs Computing kpt #: 48 total cpu time spent up to now is 26.6 secs Computing kpt #: 49 total cpu time spent up to now is 27.1 secs Computing kpt #: 50 total cpu time spent up to now is 27.6 secs Computing kpt #: 51 total cpu time spent up to now is 28.1 secs Computing kpt #: 52 total cpu time spent up to now is 28.7 secs Computing kpt #: 53 total cpu time spent up to now is 29.2 secs Computing kpt #: 54 total cpu time spent up to now is 29.8 secs Computing kpt #: 55 total cpu time spent up to now is 30.5 secs Computing kpt #: 56 total cpu time spent up to now is 31.2 secs Computing kpt #: 57 total cpu time spent up to now is 31.9 secs Computing kpt #: 58 total cpu time spent up to now is 32.6 secs Computing kpt #: 59 total cpu time spent up to now is 33.3 secs Computing kpt #: 60 total cpu time spent up to now is 34.0 secs Computing kpt #: 61 total cpu time spent up to now is 34.6 secs Computing kpt #: 62 total cpu time spent up to now is 35.1 secs Computing kpt #: 63 total cpu time spent up to now is 35.6 secs Computing kpt #: 64 total cpu time spent up to now is 36.1 secs Computing kpt #: 65 total cpu time spent up to now is 36.6 secs Computing kpt #: 66 total cpu time spent up to now is 37.1 secs Computing kpt #: 67 total cpu time spent up to now is 37.6 secs Computing kpt #: 68 total cpu time spent up to now is 38.1 secs Computing kpt #: 69 total cpu time spent up to now is 38.6 secs Computing kpt #: 70 total cpu time spent up to now is 39.1 secs Computing kpt #: 71 total cpu time spent up to now is 39.6 secs Computing kpt #: 72 total cpu time spent up to now is 40.1 secs Computing kpt #: 73 total cpu time spent up to now is 40.6 secs Computing kpt #: 74 total cpu time spent up to now is 41.1 secs Computing kpt #: 75 total cpu time spent up to now is 41.6 secs Computing kpt #: 76 total cpu time spent up to now is 42.1 secs Computing kpt #: 77 total cpu time spent up to now is 42.6 secs Computing kpt #: 78 total cpu time spent up to now is 43.1 secs Computing kpt #: 79 total cpu time spent up to now is 43.6 secs Computing kpt #: 80 total cpu time spent up to now is 44.1 secs Computing kpt #: 81 total cpu time spent up to now is 44.6 secs Computing kpt #: 82 total cpu time spent up to now is 45.1 secs Computing kpt #: 83 total cpu time spent up to now is 45.6 secs Computing kpt #: 84 total cpu time spent up to now is 46.1 secs Computing kpt #: 85 total cpu time spent up to now is 46.6 secs Computing kpt #: 86 total cpu time spent up to now is 47.1 secs Computing kpt #: 87 total cpu time spent up to now is 47.6 secs Computing kpt #: 88 total cpu time spent up to now is 48.1 secs Computing kpt #: 89 total cpu time spent up to now is 48.6 secs Computing kpt #: 90 total cpu time spent up to now is 49.1 secs Computing kpt #: 91 total cpu time spent up to now is 49.6 secs Computing kpt #: 92 total cpu time spent up to now is 50.1 secs Computing kpt #: 93 total cpu time spent up to now is 50.6 secs Computing kpt #: 94 total cpu time spent up to now is 51.2 secs Computing kpt #: 95 total cpu time spent up to now is 51.7 secs Computing kpt #: 96 total cpu time spent up to now is 52.2 secs Computing kpt #: 97 total cpu time spent up to now is 52.7 secs Computing kpt #: 98 total cpu time spent up to now is 53.2 secs Computing kpt #: 99 total cpu time spent up to now is 53.8 secs Computing kpt #: 100 total cpu time spent up to now is 54.3 secs Computing kpt #: 101 total cpu time spent up to now is 54.8 secs Computing kpt #: 102 total cpu time spent up to now is 55.3 secs Computing kpt #: 103 total cpu time spent up to now is 55.8 secs Computing kpt #: 104 total cpu time spent up to now is 56.4 secs Computing kpt #: 105 total cpu time spent up to now is 56.9 secs Computing kpt #: 106 total cpu time spent up to now is 57.4 secs Computing kpt #: 107 total cpu time spent up to now is 57.9 secs Computing kpt #: 108 total cpu time spent up to now is 58.4 secs Computing kpt #: 109 total cpu time spent up to now is 58.9 secs Computing kpt #: 110 total cpu time spent up to now is 59.4 secs Computing kpt #: 111 total cpu time spent up to now is 59.9 secs Computing kpt #: 112 total cpu time spent up to now is 60.4 secs Computing kpt #: 113 total cpu time spent up to now is 60.9 secs Computing kpt #: 114 total cpu time spent up to now is 61.4 secs Computing kpt #: 115 total cpu time spent up to now is 61.9 secs Computing kpt #: 116 total cpu time spent up to now is 62.3 secs Computing kpt #: 117 total cpu time spent up to now is 62.8 secs Computing kpt #: 118 total cpu time spent up to now is 63.3 secs Computing kpt #: 119 total cpu time spent up to now is 63.8 secs Computing kpt #: 120 total cpu time spent up to now is 64.3 secs Computing kpt #: 121 total cpu time spent up to now is 64.8 secs Computing kpt #: 122 total cpu time spent up to now is 65.3 secs Computing kpt #: 123 total cpu time spent up to now is 65.8 secs Computing kpt #: 124 total cpu time spent up to now is 66.3 secs Computing kpt #: 125 total cpu time spent up to now is 66.8 secs Computing kpt #: 126 total cpu time spent up to now is 67.3 secs Computing kpt #: 127 total cpu time spent up to now is 67.8 secs Computing kpt #: 128 total cpu time spent up to now is 68.3 secs Computing kpt #: 129 total cpu time spent up to now is 68.8 secs Computing kpt #: 130 total cpu time spent up to now is 69.3 secs Computing kpt #: 131 total cpu time spent up to now is 69.9 secs Computing kpt #: 132 total cpu time spent up to now is 70.4 secs Computing kpt #: 133 total cpu time spent up to now is 70.9 secs Computing kpt #: 134 total cpu time spent up to now is 71.4 secs Computing kpt #: 135 total cpu time spent up to now is 71.9 secs Computing kpt #: 136 total cpu time spent up to now is 72.5 secs Computing kpt #: 137 total cpu time spent up to now is 73.0 secs Computing kpt #: 138 total cpu time spent up to now is 73.5 secs Computing kpt #: 139 total cpu time spent up to now is 74.0 secs Computing kpt #: 140 total cpu time spent up to now is 74.5 secs Computing kpt #: 141 total cpu time spent up to now is 75.1 secs Computing kpt #: 142 total cpu time spent up to now is 75.6 secs Computing kpt #: 143 total cpu time spent up to now is 76.1 secs Computing kpt #: 144 total cpu time spent up to now is 76.7 secs Computing kpt #: 145 total cpu time spent up to now is 77.2 secs Computing kpt #: 146 total cpu time spent up to now is 77.7 secs Computing kpt #: 147 total cpu time spent up to now is 78.3 secs Computing kpt #: 148 total cpu time spent up to now is 78.8 secs Computing kpt #: 149 total cpu time spent up to now is 79.5 secs Computing kpt #: 150 total cpu time spent up to now is 80.1 secs Computing kpt #: 151 total cpu time spent up to now is 80.7 secs Computing kpt #: 152 total cpu time spent up to now is 81.4 secs Computing kpt #: 153 total cpu time spent up to now is 81.9 secs Computing kpt #: 154 total cpu time spent up to now is 82.4 secs Computing kpt #: 155 total cpu time spent up to now is 83.0 secs Computing kpt #: 156 total cpu time spent up to now is 83.5 secs Computing kpt #: 157 total cpu time spent up to now is 84.1 secs Computing kpt #: 158 total cpu time spent up to now is 84.6 secs Computing kpt #: 159 total cpu time spent up to now is 85.1 secs Computing kpt #: 160 total cpu time spent up to now is 85.6 secs Computing kpt #: 161 total cpu time spent up to now is 86.1 secs Computing kpt #: 162 total cpu time spent up to now is 86.6 secs Computing kpt #: 163 total cpu time spent up to now is 87.2 secs Computing kpt #: 164 total cpu time spent up to now is 87.7 secs Computing kpt #: 165 total cpu time spent up to now is 88.2 secs Computing kpt #: 166 total cpu time spent up to now is 88.7 secs Computing kpt #: 167 total cpu time spent up to now is 89.2 secs Computing kpt #: 168 total cpu time spent up to now is 89.8 secs Computing kpt #: 169 total cpu time spent up to now is 90.3 secs Computing kpt #: 170 total cpu time spent up to now is 90.8 secs Computing kpt #: 171 total cpu time spent up to now is 91.3 secs Computing kpt #: 172 total cpu time spent up to now is 91.8 secs Computing kpt #: 173 total cpu time spent up to now is 92.3 secs Computing kpt #: 174 total cpu time spent up to now is 92.8 secs Computing kpt #: 175 total cpu time spent up to now is 93.3 secs Computing kpt #: 176 total cpu time spent up to now is 93.8 secs Computing kpt #: 177 total cpu time spent up to now is 94.3 secs Computing kpt #: 178 total cpu time spent up to now is 94.8 secs Computing kpt #: 179 total cpu time spent up to now is 95.3 secs Computing kpt #: 180 total cpu time spent up to now is 95.8 secs Computing kpt #: 181 total cpu time spent up to now is 96.3 secs Computing kpt #: 182 total cpu time spent up to now is 96.7 secs Computing kpt #: 183 total cpu time spent up to now is 97.2 secs Computing kpt #: 184 total cpu time spent up to now is 97.7 secs Computing kpt #: 185 total cpu time spent up to now is 98.2 secs Computing kpt #: 186 total cpu time spent up to now is 98.7 secs Computing kpt #: 187 total cpu time spent up to now is 99.1 secs Computing kpt #: 188 total cpu time spent up to now is 99.5 secs Computing kpt #: 189 total cpu time spent up to now is 100.0 secs Computing kpt #: 190 total cpu time spent up to now is 100.4 secs Computing kpt #: 191 total cpu time spent up to now is 100.9 secs Computing kpt #: 192 total cpu time spent up to now is 101.3 secs Computing kpt #: 193 total cpu time spent up to now is 101.8 secs Computing kpt #: 194 total cpu time spent up to now is 102.3 secs Computing kpt #: 195 total cpu time spent up to now is 102.8 secs Computing kpt #: 196 total cpu time spent up to now is 103.3 secs Computing kpt #: 197 total cpu time spent up to now is 103.8 secs Computing kpt #: 198 total cpu time spent up to now is 104.4 secs Computing kpt #: 199 total cpu time spent up to now is 104.9 secs Computing kpt #: 200 total cpu time spent up to now is 105.4 secs Computing kpt #: 201 total cpu time spent up to now is 105.9 secs Computing kpt #: 202 total cpu time spent up to now is 106.4 secs Computing kpt #: 203 total cpu time spent up to now is 106.9 secs Computing kpt #: 204 total cpu time spent up to now is 107.4 secs Computing kpt #: 205 total cpu time spent up to now is 108.0 secs Computing kpt #: 206 total cpu time spent up to now is 108.5 secs Computing kpt #: 207 total cpu time spent up to now is 109.0 secs Computing kpt #: 208 total cpu time spent up to now is 109.5 secs Computing kpt #: 209 total cpu time spent up to now is 110.0 secs Computing kpt #: 210 total cpu time spent up to now is 110.5 secs Computing kpt #: 211 total cpu time spent up to now is 111.0 secs Computing kpt #: 212 total cpu time spent up to now is 111.5 secs Computing kpt #: 213 total cpu time spent up to now is 112.0 secs Computing kpt #: 214 total cpu time spent up to now is 112.5 secs Computing kpt #: 215 total cpu time spent up to now is 113.1 secs Computing kpt #: 216 total cpu time spent up to now is 113.6 secs Computing kpt #: 217 total cpu time spent up to now is 114.1 secs Computing kpt #: 218 total cpu time spent up to now is 114.6 secs Computing kpt #: 219 total cpu time spent up to now is 115.1 secs Computing kpt #: 220 total cpu time spent up to now is 115.6 secs Computing kpt #: 221 total cpu time spent up to now is 116.1 secs Computing kpt #: 222 total cpu time spent up to now is 116.7 secs Computing kpt #: 223 total cpu time spent up to now is 117.2 secs Computing kpt #: 224 total cpu time spent up to now is 117.8 secs Computing kpt #: 225 total cpu time spent up to now is 118.4 secs Computing kpt #: 226 total cpu time spent up to now is 119.0 secs Computing kpt #: 227 total cpu time spent up to now is 119.7 secs Computing kpt #: 228 total cpu time spent up to now is 120.3 secs Computing kpt #: 229 total cpu time spent up to now is 120.9 secs Computing kpt #: 230 total cpu time spent up to now is 121.4 secs Computing kpt #: 231 total cpu time spent up to now is 121.9 secs Computing kpt #: 232 total cpu time spent up to now is 122.4 secs Computing kpt #: 233 total cpu time spent up to now is 123.5 secs Computing kpt #: 234 total cpu time spent up to now is 124.2 secs Computing kpt #: 235 total cpu time spent up to now is 125.1 secs Computing kpt #: 236 total cpu time spent up to now is 126.0 secs Computing kpt #: 237 total cpu time spent up to now is 127.0 secs Computing kpt #: 238 total cpu time spent up to now is 127.9 secs Computing kpt #: 239 total cpu time spent up to now is 128.8 secs Computing kpt #: 240 total cpu time spent up to now is 129.6 secs Computing kpt #: 241 total cpu time spent up to now is 130.8 secs Computing kpt #: 242 total cpu time spent up to now is 131.5 secs Computing kpt #: 243 total cpu time spent up to now is 132.3 secs Computing kpt #: 244 total cpu time spent up to now is 133.2 secs Computing kpt #: 245 total cpu time spent up to now is 134.1 secs Computing kpt #: 246 total cpu time spent up to now is 135.1 secs Computing kpt #: 247 total cpu time spent up to now is 136.3 secs Computing kpt #: 248 total cpu time spent up to now is 137.3 secs Computing kpt #: 249 total cpu time spent up to now is 138.2 secs Computing kpt #: 250 total cpu time spent up to now is 139.0 secs Computing kpt #: 251 total cpu time spent up to now is 139.9 secs Computing kpt #: 252 total cpu time spent up to now is 140.9 secs Computing kpt #: 253 total cpu time spent up to now is 141.8 secs Computing kpt #: 254 total cpu time spent up to now is 142.8 secs Computing kpt #: 255 total cpu time spent up to now is 143.5 secs Computing kpt #: 256 total cpu time spent up to now is 143.9 secs Computing kpt #: 257 total cpu time spent up to now is 144.4 secs Computing kpt #: 258 total cpu time spent up to now is 144.9 secs Computing kpt #: 259 total cpu time spent up to now is 145.3 secs Computing kpt #: 260 total cpu time spent up to now is 145.8 secs Computing kpt #: 261 total cpu time spent up to now is 146.5 secs Computing kpt #: 262 total cpu time spent up to now is 147.2 secs Computing kpt #: 263 total cpu time spent up to now is 147.8 secs Computing kpt #: 264 total cpu time spent up to now is 148.5 secs Computing kpt #: 265 total cpu time spent up to now is 149.2 secs Computing kpt #: 266 total cpu time spent up to now is 149.9 secs Computing kpt #: 267 total cpu time spent up to now is 150.6 secs Computing kpt #: 268 total cpu time spent up to now is 151.3 secs Computing kpt #: 269 total cpu time spent up to now is 152.2 secs Computing kpt #: 270 total cpu time spent up to now is 153.0 secs Computing kpt #: 271 total cpu time spent up to now is 153.7 secs Computing kpt #: 272 total cpu time spent up to now is 154.4 secs Computing kpt #: 273 total cpu time spent up to now is 155.0 secs Computing kpt #: 274 total cpu time spent up to now is 155.7 secs Computing kpt #: 275 total cpu time spent up to now is 156.3 secs Computing kpt #: 276 total cpu time spent up to now is 156.9 secs Computing kpt #: 277 total cpu time spent up to now is 157.4 secs Computing kpt #: 278 total cpu time spent up to now is 158.0 secs Computing kpt #: 279 total cpu time spent up to now is 158.6 secs Computing kpt #: 280 total cpu time spent up to now is 159.1 secs Computing kpt #: 281 total cpu time spent up to now is 159.6 secs Computing kpt #: 282 total cpu time spent up to now is 160.1 secs Computing kpt #: 283 total cpu time spent up to now is 160.7 secs Computing kpt #: 284 total cpu time spent up to now is 161.1 secs Computing kpt #: 285 total cpu time spent up to now is 161.7 secs Computing kpt #: 286 total cpu time spent up to now is 162.1 secs Computing kpt #: 287 total cpu time spent up to now is 162.7 secs Computing kpt #: 288 total cpu time spent up to now is 163.1 secs Computing kpt #: 289 total cpu time spent up to now is 163.6 secs Computing kpt #: 290 total cpu time spent up to now is 164.1 secs Computing kpt #: 291 total cpu time spent up to now is 164.7 secs Computing kpt #: 292 total cpu time spent up to now is 165.2 secs Computing kpt #: 293 total cpu time spent up to now is 165.7 secs Computing kpt #: 294 total cpu time spent up to now is 166.2 secs Computing kpt #: 295 total cpu time spent up to now is 166.7 secs Computing kpt #: 296 total cpu time spent up to now is 167.2 secs Computing kpt #: 297 total cpu time spent up to now is 167.7 secs Computing kpt #: 298 total cpu time spent up to now is 168.2 secs Computing kpt #: 299 total cpu time spent up to now is 168.7 secs Computing kpt #: 300 total cpu time spent up to now is 169.3 secs Computing kpt #: 301 total cpu time spent up to now is 169.8 secs Computing kpt #: 302 total cpu time spent up to now is 170.3 secs Computing kpt #: 303 total cpu time spent up to now is 170.8 secs Computing kpt #: 304 total cpu time spent up to now is 171.3 secs Computing kpt #: 305 total cpu time spent up to now is 171.8 secs Computing kpt #: 306 total cpu time spent up to now is 172.3 secs Computing kpt #: 307 total cpu time spent up to now is 172.8 secs Computing kpt #: 308 total cpu time spent up to now is 173.2 secs Computing kpt #: 309 total cpu time spent up to now is 173.7 secs Computing kpt #: 310 total cpu time spent up to now is 174.2 secs Computing kpt #: 311 total cpu time spent up to now is 174.7 secs Computing kpt #: 312 total cpu time spent up to now is 175.2 secs Computing kpt #: 313 total cpu time spent up to now is 175.8 secs Computing kpt #: 314 total cpu time spent up to now is 176.4 secs Computing kpt #: 315 total cpu time spent up to now is 177.0 secs Computing kpt #: 316 total cpu time spent up to now is 177.6 secs Computing kpt #: 317 total cpu time spent up to now is 178.3 secs Computing kpt #: 318 total cpu time spent up to now is 179.0 secs Computing kpt #: 319 total cpu time spent up to now is 179.7 secs Computing kpt #: 320 total cpu time spent up to now is 180.5 secs Computing kpt #: 321 total cpu time spent up to now is 181.2 secs Computing kpt #: 322 total cpu time spent up to now is 181.8 secs Computing kpt #: 323 total cpu time spent up to now is 182.5 secs Computing kpt #: 324 total cpu time spent up to now is 183.1 secs Computing kpt #: 325 total cpu time spent up to now is 183.7 secs Computing kpt #: 326 total cpu time spent up to now is 184.3 secs Computing kpt #: 327 total cpu time spent up to now is 184.9 secs Computing kpt #: 328 total cpu time spent up to now is 185.5 secs Computing kpt #: 329 total cpu time spent up to now is 186.1 secs Computing kpt #: 330 total cpu time spent up to now is 186.8 secs Computing kpt #: 331 total cpu time spent up to now is 187.5 secs Computing kpt #: 332 total cpu time spent up to now is 188.2 secs Computing kpt #: 333 total cpu time spent up to now is 189.0 secs Computing kpt #: 334 total cpu time spent up to now is 189.7 secs Computing kpt #: 335 total cpu time spent up to now is 190.4 secs Computing kpt #: 336 total cpu time spent up to now is 191.1 secs Computing kpt #: 337 total cpu time spent up to now is 191.5 secs ethr = 1.92E-08, avg # of iterations = 20.1 total cpu time spent up to now is 191.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3537 PWs) bands (ev): -16.9253 -16.9253 -16.6026 -16.6026 -12.5618 -12.5618 -12.5614 -12.5614 -1.6152 -1.6152 -1.6132 -1.6132 -1.2942 -1.2942 -1.2854 -1.2854 -0.8728 -0.8728 -0.1631 -0.1631 0.8616 0.8616 0.8849 0.8849 3.0443 3.0443 3.3033 3.3033 3.6666 3.6666 3.9804 3.9804 4.0037 4.0037 4.0460 4.0460 4.3311 4.3311 4.5036 4.5036 4.5169 4.5169 4.5990 4.5990 4.7791 4.7791 4.8053 4.8053 4.8919 4.8919 6.4508 6.4508 8.7542 8.7542 10.3465 10.3465 10.4144 10.4144 11.4383 11.4383 11.5780 11.5780 k = 0.0000 0.0000 0.0160 ( 3549 PWs) bands (ev): -16.9252 -16.9252 -16.6027 -16.6027 -12.5618 -12.5618 -12.5615 -12.5615 -1.6170 -1.6170 -1.6153 -1.6153 -1.2931 -1.2931 -1.2840 -1.2840 -0.8692 -0.8692 -0.1631 -0.1631 0.8607 0.8607 0.8841 0.8841 3.0443 3.0443 3.3038 3.3038 3.6624 3.6624 3.9629 3.9629 4.0203 4.0203 4.0436 4.0436 4.3337 4.3337 4.4943 4.4943 4.5265 4.5265 4.5991 4.5991 4.7811 4.7811 4.8051 4.8051 4.8957 4.8957 6.4478 6.4478 8.7532 8.7532 10.3483 10.3483 10.4161 10.4161 11.4369 11.4369 11.5761 11.5761 k = 0.0000 0.0000 0.0319 ( 3549 PWs) bands (ev): -16.9249 -16.9249 -16.6029 -16.6029 -12.5619 -12.5619 -12.5615 -12.5615 -1.6280 -1.6280 -1.6159 -1.6159 -1.2913 -1.2913 -1.2786 -1.2786 -0.8583 -0.8583 -0.1631 -0.1631 0.8572 0.8572 0.8822 0.8822 3.0443 3.0443 3.3051 3.3051 3.6503 3.6503 3.9371 3.9371 4.0355 4.0355 4.0451 4.0451 4.3408 4.3408 4.4811 4.4811 4.5407 4.5407 4.6000 4.6000 4.7867 4.7867 4.8052 4.8052 4.9067 4.9067 6.4392 6.4392 8.7502 8.7502 10.3538 10.3538 10.4214 10.4214 11.4325 11.4325 11.5707 11.5707 k = 0.0000 0.0000 0.0479 ( 3561 PWs) bands (ev): -16.9244 -16.9244 -16.6033 -16.6033 -12.5621 -12.5621 -12.5616 -12.5616 -1.6447 -1.6447 -1.6167 -1.6167 -1.2902 -1.2902 -1.2691 -1.2691 -0.8404 -0.8404 -0.1633 -0.1633 0.8496 0.8496 0.8809 0.8809 3.0444 3.0444 3.3072 3.3072 3.6311 3.6311 3.9099 3.9099 4.0244 4.0244 4.0682 4.0682 4.3514 4.3514 4.4686 4.4686 4.5549 4.5549 4.6024 4.6024 4.7929 4.7929 4.8085 4.8085 4.9242 4.9242 6.4248 6.4248 8.7452 8.7452 10.3627 10.3627 10.4302 10.4302 11.4243 11.4243 11.5628 11.5628 k = 0.0000 0.0000 0.0639 ( 3561 PWs) bands (ev): -16.9237 -16.9237 -16.6038 -16.6038 -12.5624 -12.5624 -12.5616 -12.5616 -1.6656 -1.6656 -1.6180 -1.6180 -1.2896 -1.2896 -1.2570 -1.2570 -0.8158 -0.8158 -0.1634 -0.1634 0.8371 0.8371 0.8810 0.8810 3.0445 3.0445 3.3100 3.3100 3.6061 3.6061 3.8818 3.8818 4.0093 4.0093 4.0904 4.0904 4.3637 4.3637 4.4571 4.4571 4.5683 4.5683 4.6078 4.6078 4.7958 4.7958 4.8196 4.8196 4.9472 4.9472 6.4050 6.4050 8.7383 8.7383 10.3747 10.3747 10.4424 10.4424 11.4110 11.4110 11.5539 11.5539 k = 0.0000 0.0000 0.0798 ( 3563 PWs) bands (ev): -16.9228 -16.9228 -16.6045 -16.6045 -12.5629 -12.5629 -12.5616 -12.5616 -1.6891 -1.6891 -1.6195 -1.6195 -1.2891 -1.2891 -1.2438 -1.2438 -0.7850 -0.7850 -0.1636 -0.1636 0.8199 0.8199 0.8824 0.8824 3.0446 3.0446 3.3135 3.3135 3.5768 3.5768 3.8526 3.8526 3.9914 3.9914 4.1111 4.1111 4.3757 4.3757 4.4469 4.4469 4.5806 4.5806 4.6167 4.6167 4.7970 4.7970 4.8370 4.8370 4.9749 4.9749 6.3799 6.3799 8.7295 8.7295 10.3894 10.3894 10.4581 10.4581 11.3911 11.3911 11.5458 11.5458 k = 0.0000 0.0000 0.0958 ( 3559 PWs) bands (ev): -16.9218 -16.9218 -16.6053 -16.6053 -12.5634 -12.5634 -12.5616 -12.5616 -1.7139 -1.7139 -1.6214 -1.6214 -1.2886 -1.2886 -1.2303 -1.2303 -0.7488 -0.7488 -0.1639 -0.1639 0.7985 0.7985 0.8849 0.8849 3.0446 3.0446 3.3170 3.3170 3.5448 3.5448 3.8223 3.8223 3.9714 3.9714 4.1302 4.1302 4.3860 4.3860 4.4381 4.4381 4.5921 4.5921 4.6292 4.6292 4.7990 4.7990 4.8590 4.8590 5.0064 5.0064 6.3499 6.3499 8.7190 8.7190 10.4060 10.4060 10.4772 10.4772 11.3638 11.3638 11.5397 11.5397 k = 0.0000 0.0000 0.1118 ( 3559 PWs) bands (ev): -16.9205 -16.9205 -16.6063 -16.6063 -12.5641 -12.5641 -12.5616 -12.5616 -1.7391 -1.7391 -1.6236 -1.6236 -1.2880 -1.2880 -1.2169 -1.2169 -0.7077 -0.7077 -0.1641 -0.1641 0.7732 0.7732 0.8882 0.8882 3.0447 3.0447 3.3198 3.3198 3.5116 3.5116 3.7906 3.7906 3.9501 3.9501 4.1475 4.1475 4.3935 4.3935 4.4305 4.4305 4.6025 4.6025 4.6445 4.6445 4.8033 4.8033 4.8851 4.8851 5.0412 5.0412 6.3153 6.3153 8.7070 8.7070 10.4238 10.4238 10.5000 10.5000 11.3291 11.3291 11.5360 11.5360 k = 0.0000 0.0000 0.1277 ( 3559 PWs) bands (ev): -16.9191 -16.9191 -16.6073 -16.6073 -12.5649 -12.5649 -12.5616 -12.5616 -1.7641 -1.7641 -1.6260 -1.6260 -1.2874 -1.2874 -1.2037 -1.2037 -0.6627 -0.6627 -0.1644 -0.1644 0.7443 0.7443 0.8921 0.8921 3.0447 3.0447 3.3207 3.3207 3.4796 3.4796 3.7576 3.7576 3.9281 3.9281 4.1631 4.1631 4.3980 4.3980 4.4242 4.4242 4.6114 4.6114 4.6612 4.6612 4.8111 4.8111 4.9150 4.9150 5.0785 5.0785 6.2765 6.2765 8.6934 8.6934 10.4418 10.4418 10.5266 10.5266 11.2877 11.2877 11.5344 11.5344 k = 0.0000 0.0000 0.1437 ( 3563 PWs) bands (ev): -16.9175 -16.9175 -16.6086 -16.6086 -12.5657 -12.5657 -12.5615 -12.5615 -1.7882 -1.7882 -1.6288 -1.6288 -1.2867 -1.2867 -1.1907 -1.1907 -0.6143 -0.6143 -0.1648 -0.1648 0.7122 0.7122 0.8967 0.8967 3.0446 3.0446 3.3167 3.3167 3.4519 3.4519 3.7233 3.7233 3.9060 3.9060 4.1772 4.1772 4.3998 4.3998 4.4190 4.4190 4.6187 4.6187 4.6770 4.6770 4.8243 4.8243 4.9484 4.9484 5.1181 5.1181 6.2339 6.2339 8.6785 8.6785 10.4592 10.4592 10.5569 10.5569 11.2404 11.2404 11.5346 11.5346 k = 0.0000 0.0000 0.1597 ( 3573 PWs) bands (ev): -16.9157 -16.9157 -16.6099 -16.6099 -12.5667 -12.5667 -12.5615 -12.5615 -1.8111 -1.8111 -1.6318 -1.6318 -1.2860 -1.2860 -1.1779 -1.1779 -0.5633 -0.5633 -0.1651 -0.1651 0.6770 0.6770 0.9019 0.9019 3.0444 3.0444 3.3041 3.3041 3.4330 3.4330 3.6879 3.6879 3.8840 3.8840 4.1898 4.1898 4.3994 4.3994 4.4146 4.4146 4.6244 4.6244 4.6897 4.6897 4.8440 4.8440 4.9847 4.9847 5.1597 5.1597 6.1879 6.1879 8.6623 8.6623 10.4753 10.4753 10.5910 10.5910 11.1880 11.1880 11.5362 11.5362 k = 0.0000 0.0000 0.1756 ( 3569 PWs) bands (ev): -16.9138 -16.9138 -16.6113 -16.6113 -12.5677 -12.5677 -12.5615 -12.5615 -1.8325 -1.8325 -1.6350 -1.6350 -1.2852 -1.2852 -1.1651 -1.1651 -0.5103 -0.5103 -0.1655 -0.1655 0.6392 0.6392 0.9077 0.9077 3.0442 3.0442 3.2809 3.2809 3.4252 3.4252 3.6518 3.6518 3.8625 3.8625 4.2011 4.2011 4.3978 4.3978 4.4108 4.4108 4.6288 4.6288 4.6984 4.6984 4.8705 4.8705 5.0233 5.0233 5.2031 5.2031 6.1392 6.1392 8.6452 8.6452 10.4893 10.4893 10.6286 10.6286 11.1315 11.1315 11.5389 11.5389 k = 0.0000 0.0000 0.1916 ( 3569 PWs) bands (ev): -16.9118 -16.9118 -16.6128 -16.6128 -12.5688 -12.5688 -12.5615 -12.5615 -1.8521 -1.8521 -1.6384 -1.6384 -1.2844 -1.2844 -1.1523 -1.1523 -0.4560 -0.4560 -0.1659 -0.1659 0.5992 0.5992 0.9140 0.9140 3.0438 3.0438 3.2494 3.2494 3.4261 3.4261 3.6153 3.6153 3.8418 3.8418 4.2111 4.2111 4.3955 4.3955 4.4070 4.4070 4.6320 4.6320 4.7033 4.7033 4.9026 4.9026 5.0635 5.0635 5.2482 5.2482 6.0882 6.0882 8.6271 8.6271 10.5008 10.5008 10.6693 10.6693 11.0715 11.0715 11.5424 11.5424 k = 0.0000 0.0000 0.2075 ( 3565 PWs) bands (ev): -16.9097 -16.9097 -16.6144 -16.6144 -12.5700 -12.5700 -12.5615 -12.5615 -1.8698 -1.8698 -1.6421 -1.6421 -1.2836 -1.2836 -1.1394 -1.1394 -0.4011 -0.4011 -0.1663 -0.1663 0.5573 0.5573 0.9209 0.9209 3.0433 3.0433 3.2130 3.2130 3.4321 3.4321 3.5792 3.5792 3.8219 3.8219 4.2202 4.2202 4.3929 4.3929 4.4032 4.4032 4.6343 4.6343 4.7054 4.7054 4.9389 4.9389 5.1045 5.1045 5.2947 5.2947 6.0355 6.0355 8.6083 8.6083 10.5092 10.5092 10.7128 10.7128 11.0087 11.0087 11.5466 11.5466 k = 0.0000 0.0000 0.2235 ( 3561 PWs) bands (ev): -16.9074 -16.9074 -16.6161 -16.6161 -12.5713 -12.5713 -12.5614 -12.5614 -1.8853 -1.8853 -1.6459 -1.6459 -1.2827 -1.2827 -1.1264 -1.1264 -0.3462 -0.3462 -0.1667 -0.1667 0.5141 0.5141 0.9283 0.9283 3.0426 3.0426 3.1744 3.1744 3.4395 3.4395 3.5450 3.5450 3.8028 3.8028 4.2282 4.2282 4.3902 4.3902 4.3993 4.3993 4.6358 4.6358 4.7056 4.7056 4.9780 4.9780 5.1456 5.1456 5.3424 5.3424 5.9820 5.9820 8.5889 8.5889 10.5141 10.5141 10.7588 10.7588 10.9437 10.9437 11.5513 11.5513 k = 0.0000 0.0000 0.2395 ( 3563 PWs) bands (ev): -16.9051 -16.9051 -16.6179 -16.6179 -12.5726 -12.5726 -12.5614 -12.5614 -1.8986 -1.8986 -1.6499 -1.6499 -1.2818 -1.2818 -1.1134 -1.1134 -0.2924 -0.2924 -0.1671 -0.1671 0.4704 0.4704 0.9362 0.9362 3.0418 3.0418 3.1346 3.1346 3.4428 3.4428 3.5175 3.5175 3.7847 3.7847 4.2352 4.2352 4.3874 4.3874 4.3954 4.3954 4.6369 4.6369 4.7045 4.7045 5.0188 5.0188 5.1862 5.1862 5.3905 5.3905 5.9288 5.9288 8.5691 8.5691 10.5150 10.5150 10.8062 10.8062 10.8776 10.8776 11.5564 11.5564 k = 0.0000 0.0000 0.2554 ( 3563 PWs) bands (ev): -16.9026 -16.9026 -16.6197 -16.6197 -12.5740 -12.5740 -12.5614 -12.5614 -1.9097 -1.9097 -1.6539 -1.6539 -1.2808 -1.2808 -1.1002 -1.1002 -0.2407 -0.2407 -0.1673 -0.1673 0.4273 0.4273 0.9445 0.9445 3.0408 3.0408 3.0945 3.0945 3.4312 3.4312 3.5071 3.5071 3.7674 3.7674 4.2415 4.2415 4.3842 4.3842 4.3919 4.3919 4.6374 4.6374 4.7025 4.7025 5.0609 5.0609 5.2258 5.2258 5.4373 5.4373 5.8780 5.8780 8.5490 8.5490 10.5116 10.5116 10.8055 10.8055 10.8603 10.8603 11.5618 11.5618 k = 0.0000 0.0000 0.2714 ( 3561 PWs) bands (ev): -16.9002 -16.9002 -16.6215 -16.6215 -12.5754 -12.5754 -12.5613 -12.5613 -1.9184 -1.9184 -1.6581 -1.6581 -1.2799 -1.2799 -1.0868 -1.0868 -0.1931 -0.1931 -0.1671 -0.1671 0.3862 0.3862 0.9533 0.9533 3.0396 3.0396 3.0544 3.0544 3.4039 3.4039 3.5145 3.5145 3.7511 3.7511 4.2470 4.2470 4.3805 4.3805 4.3890 4.3890 4.6376 4.6376 4.6999 4.6999 5.1034 5.1034 5.2642 5.2642 5.4794 5.4794 5.8332 5.8332 8.5287 8.5287 10.5038 10.5038 10.7379 10.7379 10.9109 10.9109 11.5675 11.5675 k = 0.0000 0.0000 0.2874 ( 3561 PWs) bands (ev): -16.8976 -16.8976 -16.6233 -16.6233 -12.5769 -12.5769 -12.5613 -12.5613 -1.9248 -1.9248 -1.6623 -1.6623 -1.2789 -1.2789 -1.0735 -1.0735 -0.1698 -0.1698 -0.1488 -0.1488 0.3495 0.3495 0.9624 0.9624 3.0147 3.0147 3.0382 3.0382 3.3707 3.3707 3.5298 3.5298 3.7357 3.7357 4.2517 4.2517 4.3762 4.3762 4.3866 4.3866 4.6376 4.6376 4.6968 4.6968 5.1458 5.1458 5.3012 5.3012 5.5097 5.5097 5.8016 5.8016 8.5085 8.5085 10.4912 10.4912 10.6686 10.6686 10.9641 10.9641 11.5734 11.5734 k = 0.0000 0.0000 0.3033 ( 3559 PWs) bands (ev): -16.8951 -16.8951 -16.6252 -16.6252 -12.5784 -12.5784 -12.5613 -12.5613 -1.9287 -1.9287 -1.6666 -1.6666 -1.2779 -1.2779 -1.0601 -1.0601 -0.1694 -0.1694 -0.1170 -0.1170 0.3207 0.3207 0.9720 0.9720 2.9757 2.9757 3.0365 3.0365 3.3362 3.3362 3.5487 3.5487 3.7213 3.7213 4.2558 4.2558 4.3715 4.3715 4.3848 4.3848 4.6375 4.6375 4.6935 4.6935 5.1877 5.1877 5.3363 5.3363 5.5183 5.5183 5.7940 5.7940 8.4883 8.4883 10.4738 10.4738 10.5994 10.5994 11.0186 11.0186 11.5795 11.5795 k = 0.0000 0.0000 0.3193 ( 3553 PWs) bands (ev): -16.8925 -16.8925 -16.6271 -16.6271 -12.5799 -12.5799 -12.5612 -12.5612 -1.9303 -1.9303 -1.6708 -1.6708 -1.2770 -1.2770 -1.0467 -1.0467 -0.1696 -0.1696 -0.0985 -0.0985 0.3042 0.3042 0.9818 0.9818 2.9374 2.9374 3.0347 3.0347 3.3016 3.3016 3.5696 3.5696 3.7078 3.7078 4.2593 4.2593 4.3666 4.3666 4.3835 4.3835 4.6373 4.6373 4.6899 4.6899 5.2282 5.2282 5.3684 5.3684 5.5020 5.5020 5.8146 5.8146 8.4684 8.4684 10.4512 10.4512 10.5311 10.5311 11.0741 11.0741 11.5856 11.5856 k = 0.0000 0.0000 0.3353 ( 3561 PWs) bands (ev): -16.8899 -16.8899 -16.6290 -16.6290 -12.5815 -12.5815 -12.5612 -12.5612 -1.9296 -1.9296 -1.6751 -1.6751 -1.2760 -1.2760 -1.0334 -1.0334 -0.1700 -0.1700 -0.0974 -0.0974 0.3035 0.3035 0.9919 0.9919 2.8999 2.8999 3.0327 3.0327 3.2678 3.2678 3.5920 3.5920 3.6953 3.6953 4.2621 4.2621 4.3615 4.3615 4.3824 4.3824 4.6370 4.6370 4.6863 4.6863 5.2665 5.2665 5.3915 5.3915 5.4754 5.4754 5.8557 5.8557 8.4489 8.4489 10.4219 10.4219 10.4657 10.4657 11.1302 11.1302 11.5917 11.5917 k = 0.0000 0.0000 0.3512 ( 3559 PWs) bands (ev): -16.8874 -16.8874 -16.6308 -16.6308 -12.5830 -12.5830 -12.5612 -12.5612 -1.9266 -1.9266 -1.6793 -1.6793 -1.2751 -1.2751 -1.0203 -1.0203 -0.1704 -0.1704 -0.1137 -0.1137 0.3186 0.3186 1.0022 1.0022 2.8636 2.8636 3.0305 3.0305 3.2350 3.2350 3.6154 3.6154 3.6841 3.6841 4.2645 4.2645 4.3564 4.3564 4.3817 4.3817 4.6367 4.6367 4.6826 4.6826 5.2993 5.2993 5.3840 5.3840 5.4721 5.4721 5.9078 5.9078 8.4298 8.4298 10.3785 10.3785 10.4115 10.4115 11.1868 11.1868 11.5978 11.5978 k = 0.0000 0.0000 0.3672 ( 3559 PWs) bands (ev): -16.8849 -16.8849 -16.6327 -16.6327 -12.5846 -12.5846 -12.5612 -12.5612 -1.9214 -1.9214 -1.6834 -1.6834 -1.2741 -1.2741 -1.0073 -1.0073 -0.1710 -0.1710 -0.1436 -0.1436 0.3459 0.3459 1.0127 1.0127 2.8283 2.8283 3.0282 3.0282 3.2033 3.2033 3.6380 3.6380 3.6758 3.6758 4.2664 4.2664 4.3512 4.3512 4.3812 4.3812 4.6365 4.6365 4.6788 4.6788 5.3069 5.3069 5.3665 5.3665 5.4965 5.4965 5.9655 5.9655 8.4114 8.4114 10.3189 10.3189 10.3712 10.3712 11.2435 11.2435 11.6038 11.6038 k = 0.0000 0.0000 0.3832 ( 3558 PWs) bands (ev): -16.8824 -16.8824 -16.6344 -16.6344 -12.5861 -12.5861 -12.5611 -12.5611 -1.9141 -1.9141 -1.6875 -1.6875 -1.2732 -1.2732 -0.9947 -0.9947 -0.1843 -0.1843 -0.1698 -0.1698 0.3808 0.3808 1.0232 1.0232 2.7944 2.7944 3.0257 3.0257 3.1730 3.1730 3.6501 3.6501 3.6799 3.6799 4.2678 4.2678 4.3461 4.3461 4.3810 4.3810 4.6362 4.6362 4.6751 4.6751 5.2655 5.2655 5.3854 5.3854 5.5284 5.5284 6.0259 6.0259 8.3936 8.3936 10.2560 10.2560 10.3327 10.3327 11.3001 11.3001 11.6097 11.6097 k = 0.0000 0.0000 0.3991 ( 3556 PWs) bands (ev): -16.8801 -16.8801 -16.6361 -16.6361 -12.5876 -12.5876 -12.5611 -12.5611 -1.9048 -1.9048 -1.6913 -1.6913 -1.2724 -1.2724 -0.9824 -0.9824 -0.2285 -0.2285 -0.1708 -0.1708 0.4197 0.4197 1.0338 1.0338 2.7619 2.7619 3.0230 3.0230 3.1443 3.1443 3.6459 3.6459 3.7021 3.7021 4.2688 4.2688 4.3412 4.3412 4.3810 4.3810 4.6361 4.6361 4.6714 4.6714 5.2102 5.2102 5.4121 5.4121 5.5624 5.5624 6.0874 6.0874 8.3766 8.3766 10.1940 10.1940 10.2927 10.2927 11.3563 11.3563 11.6155 11.6155 k = 0.0000 0.0000 0.4151 ( 3556 PWs) bands (ev): -16.8778 -16.8778 -16.6378 -16.6378 -12.5891 -12.5891 -12.5611 -12.5611 -1.8937 -1.8937 -1.6951 -1.6951 -1.2715 -1.2715 -0.9705 -0.9705 -0.2763 -0.2763 -0.1712 -0.1712 0.4603 0.4603 1.0443 1.0443 2.7308 2.7308 3.0202 3.0202 3.1173 3.1173 3.6383 3.6383 3.7293 3.7293 4.2696 4.2696 4.3365 4.3365 4.3812 4.3812 4.6360 4.6360 4.6679 4.6679 5.1519 5.1519 5.4377 5.4377 5.5972 5.5972 6.1488 6.1488 8.3604 8.3604 10.1339 10.1339 10.2511 10.2511 11.4118 11.4118 11.6210 11.6210 k = 0.0000 0.0000 0.4311 ( 3560 PWs) bands (ev): -16.8756 -16.8756 -16.6394 -16.6394 -12.5905 -12.5905 -12.5611 -12.5611 -1.8810 -1.8810 -1.6987 -1.6987 -1.2708 -1.2708 -0.9591 -0.9591 -0.3256 -0.3256 -0.1715 -0.1715 0.5008 0.5008 1.0546 1.0546 2.7013 2.7013 3.0172 3.0172 3.0920 3.0920 3.6305 3.6305 3.7582 3.7582 4.2700 4.2700 4.3322 4.3322 4.3817 4.3817 4.6359 4.6359 4.6645 4.6645 5.0929 5.0929 5.4611 5.4611 5.6319 5.6319 6.2094 6.2094 8.3452 8.3452 10.0764 10.0764 10.2083 10.2083 11.4664 11.4664 11.6264 11.6264 k = 0.0000 0.0000 0.4470 ( 3564 PWs) bands (ev): -16.8735 -16.8735 -16.6409 -16.6409 -12.5918 -12.5918 -12.5610 -12.5610 -1.8669 -1.8669 -1.7021 -1.7021 -1.2700 -1.2700 -0.9483 -0.9483 -0.3750 -0.3750 -0.1718 -0.1718 0.5404 0.5404 1.0646 1.0646 2.6736 2.6736 3.0140 3.0140 3.0687 3.0687 3.6233 3.6233 3.7880 3.7880 4.2701 4.2701 4.3284 4.3284 4.3823 4.3823 4.6359 4.6359 4.6612 4.6612 5.0341 5.0341 5.4822 5.4822 5.6660 5.6660 6.2684 6.2684 8.3309 8.3309 10.0218 10.0218 10.1650 10.1650 11.5196 11.5196 11.6315 11.6315 k = 0.0000 0.0000 0.4630 ( 3568 PWs) bands (ev): -16.8715 -16.8715 -16.6423 -16.6423 -12.5931 -12.5931 -12.5610 -12.5610 -1.8516 -1.8516 -1.7052 -1.7052 -1.2693 -1.2693 -0.9382 -0.9382 -0.4238 -0.4238 -0.1720 -0.1720 0.5781 0.5781 1.0743 1.0743 2.6478 2.6478 3.0102 3.0102 3.0479 3.0479 3.6165 3.6165 3.8184 3.8184 4.2701 4.2701 4.3252 4.3252 4.3830 4.3830 4.6359 4.6359 4.6581 4.6581 4.9761 4.9761 5.5009 5.5009 5.6989 5.6989 6.3253 6.3253 8.3177 8.3177 9.9705 9.9705 10.1219 10.1219 11.5709 11.5709 11.6366 11.6366 k = 0.0000 0.0000 0.4790 ( 3574 PWs) bands (ev): -16.8697 -16.8697 -16.6435 -16.6435 -12.5943 -12.5943 -12.5610 -12.5610 -1.8355 -1.8355 -1.7081 -1.7081 -1.2687 -1.2687 -0.9288 -0.9288 -0.4710 -0.4710 -0.1722 -0.1722 0.6136 0.6136 1.0835 1.0835 2.6239 2.6239 3.0051 3.0051 3.0304 3.0304 3.6104 3.6104 3.8489 3.8489 4.2698 4.2698 4.3229 4.3229 4.3839 4.3839 4.6359 4.6359 4.6552 4.6552 4.9191 4.9191 5.5174 5.5174 5.7302 5.7302 6.3794 6.3794 8.3056 8.3056 9.9228 9.9228 10.0797 10.0797 11.6187 11.6187 11.6428 11.6428 k = 0.0000 0.0000 0.4949 ( 3574 PWs) bands (ev): -16.8681 -16.8681 -16.6447 -16.6447 -12.5954 -12.5954 -12.5610 -12.5610 -1.8190 -1.8190 -1.7108 -1.7108 -1.2681 -1.2681 -0.9202 -0.9202 -0.5161 -0.5161 -0.1724 -0.1724 0.6463 0.6463 1.0921 1.0921 2.6021 2.6021 2.9966 2.9966 3.0184 3.0184 3.6050 3.6050 3.8793 3.8793 4.2694 4.2694 4.3217 4.3217 4.3849 4.3849 4.6359 4.6359 4.6526 4.6526 4.8637 4.8637 5.5319 5.5319 5.7594 5.7594 6.4300 6.4300 8.2947 8.2947 9.8790 9.8790 10.0392 10.0392 11.6417 11.6417 11.6709 11.6709 k = 0.0000 0.0000 0.5109 ( 3586 PWs) bands (ev): -16.8666 -16.8666 -16.6458 -16.6458 -12.5964 -12.5964 -12.5610 -12.5610 -1.8025 -1.8025 -1.7132 -1.7132 -1.2676 -1.2676 -0.9125 -0.9125 -0.5582 -0.5582 -0.1725 -0.1725 0.6758 0.6758 1.1001 1.1001 2.5826 2.5826 2.9848 2.9848 3.0119 3.0119 3.6002 3.6002 3.9090 3.9090 4.2687 4.2687 4.3218 4.3218 4.3861 4.3861 4.6358 4.6358 4.6502 4.6502 4.8102 4.8102 5.5445 5.5445 5.7861 5.7861 6.4766 6.4766 8.2849 8.2849 9.8394 9.8394 10.0012 10.0012 11.6465 11.6465 11.7137 11.7137 k = 0.0000 0.0000 0.5269 ( 3582 PWs) bands (ev): -16.8653 -16.8653 -16.6467 -16.6467 -12.5972 -12.5972 -12.5610 -12.5610 -1.7864 -1.7864 -1.7153 -1.7153 -1.2671 -1.2671 -0.9057 -0.9057 -0.5967 -0.5967 -0.1727 -0.1727 0.7020 0.7020 1.1072 1.1072 2.5653 2.5653 2.9724 2.9724 3.0082 3.0082 3.5961 3.5961 3.9376 3.9376 4.2680 4.2680 4.3235 4.3235 4.3877 4.3877 4.6356 4.6356 4.6481 4.6481 4.7593 4.7593 5.5553 5.5553 5.8101 5.8101 6.5186 6.5186 8.2764 8.2764 9.8044 9.8044 9.9664 9.9664 11.6500 11.6500 11.7538 11.7538 k = 0.0000 0.0000 0.5428 ( 3582 PWs) bands (ev): -16.8642 -16.8642 -16.6475 -16.6475 -12.5980 -12.5980 -12.5609 -12.5609 -1.7714 -1.7714 -1.7170 -1.7170 -1.2667 -1.2667 -0.8998 -0.8998 -0.6310 -0.6310 -0.1728 -0.1728 0.7246 0.7246 1.1135 1.1135 2.5505 2.5505 2.9613 2.9613 3.0056 3.0056 3.5926 3.5926 3.9641 3.9641 4.2671 4.2671 4.3269 4.3269 4.3896 4.3896 4.6348 4.6348 4.6463 4.6463 4.7119 4.7119 5.5642 5.5642 5.8309 5.8309 6.5553 6.5553 8.2691 8.2691 9.7742 9.7742 9.9355 9.9355 11.6528 11.6528 11.7897 11.7897 k = 0.0000 0.0000 0.5588 ( 3590 PWs) bands (ev): -16.8632 -16.8632 -16.6482 -16.6482 -12.5986 -12.5986 -12.5609 -12.5609 -1.7581 -1.7581 -1.7185 -1.7185 -1.2664 -1.2664 -0.8950 -0.8950 -0.6602 -0.6602 -0.1729 -0.1729 0.7433 0.7433 1.1187 1.1187 2.5382 2.5382 2.9520 2.9520 3.0036 3.0036 3.5898 3.5898 3.9877 3.9877 4.2662 4.2662 4.3318 4.3318 4.3921 4.3921 4.6316 4.6316 4.6446 4.6446 4.6706 4.6706 5.5715 5.5715 5.8483 5.8483 6.5863 6.5863 8.2632 8.2632 9.7491 9.7491 9.9092 9.9092 11.6551 11.6551 11.8207 11.8207 k = 0.0000 0.0000 0.5747 ( 3590 PWs) bands (ev): -16.8625 -16.8625 -16.6487 -16.6487 -12.5991 -12.5991 -12.5609 -12.5609 -1.7469 -1.7469 -1.7196 -1.7196 -1.2662 -1.2662 -0.8912 -0.8912 -0.6839 -0.6839 -0.1729 -0.1729 0.7580 0.7580 1.1229 1.1229 2.5286 2.5286 2.9446 2.9446 3.0021 3.0021 3.5875 3.5875 4.0074 4.0074 4.2653 4.2653 4.3378 4.3378 4.3957 4.3957 4.6156 4.6156 4.6430 4.6430 4.6474 4.6474 5.5772 5.5772 5.8621 5.8621 6.6109 6.6109 8.2585 8.2585 9.7293 9.7293 9.8882 9.8882 11.6569 11.6569 11.8458 11.8458 k = 0.0000 0.0000 0.5907 ( 3592 PWs) bands (ev): -16.8620 -16.8620 -16.6490 -16.6490 -12.5995 -12.5995 -12.5609 -12.5609 -1.7386 -1.7386 -1.7203 -1.7203 -1.2660 -1.2660 -0.8885 -0.8885 -0.7012 -0.7012 -0.1730 -0.1730 0.7686 0.7686 1.1259 1.1259 2.5217 2.5217 2.9392 2.9392 3.0011 3.0011 3.5860 3.5860 4.0224 4.0224 4.2646 4.2646 4.3435 4.3435 4.4002 4.4002 4.5878 4.5878 4.6413 4.6413 4.6434 4.6434 5.5811 5.5811 5.8720 5.8720 6.6288 6.6288 8.2552 8.2552 9.7150 9.7150 9.8727 9.8727 11.6581 11.6581 11.8644 11.8644 k = 0.0000 0.0000 0.6067 ( 3592 PWs) bands (ev): -16.8617 -16.8617 -16.6493 -16.6493 -12.5997 -12.5997 -12.5609 -12.5609 -1.7335 -1.7335 -1.7206 -1.7206 -1.2659 -1.2659 -0.8869 -0.8869 -0.7119 -0.7119 -0.1730 -0.1730 0.7749 0.7749 1.1277 1.1277 2.5175 2.5175 2.9360 2.9360 3.0005 3.0005 3.5850 3.5850 4.0318 4.0318 4.2642 4.2642 4.3477 4.3477 4.4048 4.4048 4.5665 4.5665 4.6406 4.6406 4.6426 4.6426 5.5835 5.5835 5.8781 5.8781 6.6397 6.6397 8.2532 8.2532 9.7064 9.7064 9.8634 9.8634 11.6589 11.6589 11.8758 11.8758 k = 0.0000 0.0000 0.6226 ( 3588 PWs) bands (ev): -16.8616 -16.8616 -16.6493 -16.6493 -12.5997 -12.5997 -12.5609 -12.5609 -1.7318 -1.7318 -1.7207 -1.7207 -1.2658 -1.2658 -0.8864 -0.8864 -0.7154 -0.7154 -0.1730 -0.1730 0.7771 0.7771 1.1284 1.1284 2.5161 2.5161 2.9349 2.9349 3.0004 3.0004 3.5847 3.5847 4.0350 4.0350 4.2640 4.2640 4.3492 4.3492 4.4069 4.4069 4.5585 4.5585 4.6404 4.6404 4.6423 4.6423 5.5843 5.5843 5.8801 5.8801 6.6433 6.6433 8.2525 8.2525 9.7035 9.7035 9.8602 9.8602 11.6592 11.6592 11.8797 11.8797 k = 0.0000 0.0000 0.6226 ( 3588 PWs) bands (ev): -16.8616 -16.8616 -16.6493 -16.6493 -12.5997 -12.5997 -12.5609 -12.5609 -1.7318 -1.7318 -1.7207 -1.7207 -1.2658 -1.2658 -0.8864 -0.8864 -0.7154 -0.7154 -0.1730 -0.1730 0.7771 0.7771 1.1284 1.1284 2.5161 2.5161 2.9349 2.9349 3.0004 3.0004 3.5847 3.5847 4.0350 4.0350 4.2640 4.2640 4.3492 4.3492 4.4069 4.4069 4.5585 4.5585 4.6404 4.6404 4.6423 4.6423 5.5843 5.5843 5.8801 5.8801 6.6433 6.6433 8.2525 8.2525 9.7035 9.7035 9.8602 9.8602 11.6592 11.6592 11.8797 11.8797 k =-0.0126 0.0094 0.6226 ( 3588 PWs) bands (ev): -16.8615 -16.8615 -16.6494 -16.6494 -12.5997 -12.5997 -12.5609 -12.5609 -1.7314 -1.7314 -1.7212 -1.7212 -1.2704 -1.2704 -0.8807 -0.8807 -0.7148 -0.7148 -0.1730 -0.1730 0.7769 0.7769 1.1268 1.1268 2.5174 2.5174 2.9362 2.9362 2.9995 2.9995 3.5850 3.5850 4.0347 4.0347 4.2632 4.2632 4.3470 4.3470 4.4064 4.4064 4.5582 4.5582 4.6366 4.6366 4.6450 4.6450 5.5845 5.5845 5.8801 5.8801 6.6420 6.6420 8.2578 8.2578 9.7031 9.7031 9.8618 9.8618 11.6504 11.6504 11.8825 11.8825 k =-0.0252 0.0187 0.6226 ( 3590 PWs) bands (ev): -16.8612 -16.8612 -16.6496 -16.6496 -12.5997 -12.5997 -12.5611 -12.5611 -1.7304 -1.7304 -1.7226 -1.7226 -1.2831 -1.2831 -0.8645 -0.8645 -0.7129 -0.7129 -0.1728 -0.1728 0.7765 0.7765 1.1221 1.1221 2.5214 2.5214 2.9401 2.9401 2.9968 2.9968 3.5861 3.5861 4.0338 4.0338 4.2608 4.2608 4.3402 4.3402 4.4053 4.4053 4.5572 4.5572 4.6309 4.6309 4.6474 4.6474 5.5854 5.5854 5.8801 5.8801 6.6379 6.6379 8.2735 8.2735 9.7019 9.7019 9.8667 9.8667 11.6258 11.6258 11.8908 11.8908 k =-0.0378 0.0281 0.6226 ( 3582 PWs) bands (ev): -16.8608 -16.8608 -16.6500 -16.6500 -12.5996 -12.5996 -12.5612 -12.5612 -1.7296 -1.7296 -1.7243 -1.7243 -1.3022 -1.3022 -0.8402 -0.8402 -0.7094 -0.7094 -0.1725 -0.1725 0.7757 0.7757 1.1144 1.1144 2.5279 2.5279 2.9465 2.9465 2.9924 2.9924 3.5879 3.5879 4.0324 4.0324 4.2568 4.2568 4.3290 4.3290 4.4035 4.4035 4.5557 4.5557 4.6240 4.6240 4.6487 4.6487 5.5867 5.5867 5.8801 5.8801 6.6314 6.6314 8.2994 8.2994 9.6998 9.6998 9.8749 9.8749 11.5890 11.5890 11.9046 11.9046 k =-0.0504 0.0374 0.6226 ( 3582 PWs) bands (ev): -16.8603 -16.8603 -16.6504 -16.6504 -12.5994 -12.5994 -12.5614 -12.5614 -1.7315 -1.7315 -1.7234 -1.7234 -1.3253 -1.3253 -0.8109 -0.8109 -0.7034 -0.7034 -0.1720 -0.1720 0.7747 0.7747 1.1036 1.1036 2.5369 2.5369 2.9554 2.9554 2.9862 2.9862 3.5904 3.5904 4.0304 4.0304 4.2512 4.2512 4.3134 4.3134 4.4015 4.4015 4.5535 4.5535 4.6159 4.6159 4.6491 4.6491 5.5886 5.5886 5.8801 5.8801 6.6224 6.6224 8.3351 8.3351 9.6965 9.6965 9.8864 9.8864 11.5441 11.5441 11.9238 11.9238 k =-0.0630 0.0468 0.6226 ( 3582 PWs) bands (ev): -16.8596 -16.8596 -16.6510 -16.6510 -12.5992 -12.5992 -12.5617 -12.5617 -1.7361 -1.7361 -1.7202 -1.7202 -1.3507 -1.3507 -0.7806 -0.7806 -0.6928 -0.6928 -0.1715 -0.1715 0.7735 0.7735 1.0899 1.0899 2.5482 2.5482 2.9666 2.9666 2.9784 2.9784 3.5935 3.5935 4.0279 4.0279 4.2440 4.2440 4.2938 4.2938 4.3991 4.3991 4.5507 4.5507 4.6067 4.6067 4.6484 4.6484 5.5910 5.5910 5.8801 5.8801 6.6113 6.6113 8.3800 8.3800 9.6919 9.6919 9.9014 9.9014 11.4946 11.4946 11.9485 11.9485 k =-0.0757 0.0561 0.6226 ( 3578 PWs) bands (ev): -16.8587 -16.8587 -16.6518 -16.6518 -12.5990 -12.5990 -12.5621 -12.5621 -1.7421 -1.7421 -1.7158 -1.7158 -1.3771 -1.3771 -0.7545 -0.7545 -0.6737 -0.6737 -0.1708 -0.1708 0.7721 0.7721 1.0733 1.0733 2.5618 2.5618 2.9680 2.9680 2.9809 2.9809 3.5973 3.5973 4.0250 4.0250 4.2351 4.2351 4.2711 4.2711 4.3966 4.3966 4.5474 4.5474 4.5965 4.5965 4.6469 4.6469 5.5939 5.5939 5.8800 5.8800 6.5982 6.5982 8.4334 8.4334 9.6857 9.6857 9.9197 9.9197 11.4429 11.4429 11.9784 11.9784 k =-0.0883 0.0655 0.6226 ( 3574 PWs) bands (ev): -16.8577 -16.8577 -16.6526 -16.6526 -12.5987 -12.5987 -12.5625 -12.5625 -1.7491 -1.7491 -1.7105 -1.7105 -1.4035 -1.4035 -0.7365 -0.7365 -0.6434 -0.6434 -0.1700 -0.1700 0.7705 0.7705 1.0541 1.0541 2.5773 2.5773 2.9567 2.9567 2.9967 2.9967 3.6016 3.6016 4.0214 4.0214 4.2238 4.2238 4.2464 4.2464 4.3938 4.3938 4.5434 4.5434 4.5852 4.5852 4.6445 4.6445 5.5973 5.5973 5.8799 5.8799 6.5835 6.5835 8.4948 8.4948 9.6776 9.6776 9.9413 9.9413 11.3907 11.3907 12.0134 12.0134 k =-0.1009 0.0749 0.6226 ( 3566 PWs) bands (ev): -16.8566 -16.8566 -16.6536 -16.6536 -12.5984 -12.5984 -12.5630 -12.5630 -1.7572 -1.7572 -1.7044 -1.7044 -1.4292 -1.4292 -0.7250 -0.7250 -0.6044 -0.6044 -0.1691 -0.1691 0.7689 0.7689 1.0323 1.0323 2.5945 2.5945 2.9436 2.9436 3.0146 3.0146 3.6065 3.6065 4.0174 4.0174 4.2067 4.2067 4.2242 4.2242 4.3907 4.3907 4.5388 4.5388 4.5730 4.5730 4.6414 4.6414 5.6012 5.6012 5.8797 5.8797 6.5672 6.5672 8.5632 8.5632 9.6675 9.6675 9.9663 9.9663 11.3394 11.3394 12.0535 12.0535 k =-0.1135 0.0842 0.6226 ( 3562 PWs) bands (ev): -16.8553 -16.8553 -16.6547 -16.6547 -12.5981 -12.5981 -12.5635 -12.5635 -1.7661 -1.7661 -1.6975 -1.6975 -1.4539 -1.4539 -0.7167 -0.7167 -0.5605 -0.5605 -0.1680 -0.1680 0.7672 0.7672 1.0082 1.0082 2.6129 2.6129 2.9291 2.9291 3.0346 3.0346 3.6119 3.6119 4.0129 4.0129 4.1806 4.1806 4.2084 4.2084 4.3874 4.3874 4.5335 4.5335 4.5599 4.5599 4.6377 4.6377 5.6056 5.6056 5.8795 5.8795 6.5496 6.5496 8.6382 8.6382 9.6550 9.6550 9.9944 9.9944 11.2898 11.2898 12.0984 12.0984 k =-0.1261 0.0936 0.6226 ( 3562 PWs) bands (ev): -16.8539 -16.8539 -16.6559 -16.6559 -12.5977 -12.5977 -12.5641 -12.5641 -1.7758 -1.7758 -1.6899 -1.6899 -1.4771 -1.4771 -0.7096 -0.7096 -0.5142 -0.5142 -0.1669 -0.1669 0.7654 0.7654 0.9820 0.9820 2.6316 2.6316 2.9138 2.9138 3.0563 3.0563 3.6177 3.6177 4.0079 4.0079 4.1507 4.1507 4.1944 4.1944 4.3839 4.3839 4.5274 4.5274 4.5462 4.5462 4.6334 4.6334 5.6104 5.6104 5.8791 5.8791 6.5308 6.5308 8.7190 8.7190 9.6400 9.6400 10.0256 10.0256 11.2427 11.2427 12.1481 12.1481 k =-0.1387 0.1029 0.6226 ( 3558 PWs) bands (ev): -16.8524 -16.8524 -16.6571 -16.6571 -12.5973 -12.5973 -12.5648 -12.5648 -1.7863 -1.7863 -1.6816 -1.6816 -1.4987 -1.4987 -0.7031 -0.7031 -0.4667 -0.4667 -0.1656 -0.1656 0.7638 0.7638 0.9539 0.9539 2.6496 2.6496 2.8989 2.8989 3.0797 3.0797 3.6237 3.6237 4.0024 4.0024 4.1200 4.1200 4.1804 4.1804 4.3801 4.3801 4.5198 4.5198 4.5328 4.5328 4.6286 4.6286 5.6158 5.6158 5.8787 5.8787 6.5110 6.5110 8.8049 8.8049 9.6222 9.6222 10.0599 10.0599 11.1987 11.1987 12.2022 12.2022 k =-0.1513 0.1123 0.6226 ( 3554 PWs) bands (ev): -16.8508 -16.8508 -16.6585 -16.6585 -12.5969 -12.5969 -12.5655 -12.5655 -1.7974 -1.7974 -1.6726 -1.6726 -1.5184 -1.5184 -0.6968 -0.6968 -0.4190 -0.4190 -0.1643 -0.1643 0.7622 0.7622 0.9244 0.9244 2.6646 2.6646 2.8860 2.8860 3.1045 3.1045 3.6301 3.6301 3.9962 3.9962 4.0897 4.0897 4.1660 4.1660 4.3761 4.3761 4.5088 4.5088 4.5215 4.5215 4.6235 4.6235 5.6215 5.6215 5.8781 5.8781 6.4903 6.4903 8.8954 8.8954 9.6014 9.6014 10.0970 10.0970 11.1582 11.1582 12.2608 12.2608 k =-0.1639 0.1216 0.6226 ( 3548 PWs) bands (ev): -16.8491 -16.8491 -16.6599 -16.6599 -12.5965 -12.5965 -12.5663 -12.5663 -1.8090 -1.8090 -1.6630 -1.6630 -1.5361 -1.5361 -0.6905 -0.6905 -0.3717 -0.3717 -0.1628 -0.1628 0.7609 0.7609 0.8937 0.8937 2.6737 2.6737 2.8782 2.8782 3.1304 3.1304 3.6365 3.6365 3.9891 3.9891 4.0608 4.0608 4.1513 4.1513 4.3718 4.3718 4.4942 4.4942 4.5128 4.5128 4.6182 4.6182 5.6278 5.6278 5.8773 5.8773 6.4688 6.4688 8.9899 8.9899 9.5776 9.5776 10.1368 10.1368 11.1213 11.1213 12.3235 12.3235 k =-0.1765 0.1310 0.6226 ( 3540 PWs) bands (ev): -16.8473 -16.8473 -16.6615 -16.6615 -12.5960 -12.5960 -12.5671 -12.5671 -1.8211 -1.8211 -1.6528 -1.6528 -1.5517 -1.5517 -0.6841 -0.6841 -0.3253 -0.3253 -0.1613 -0.1613 0.7597 0.7597 0.8623 0.8623 2.6733 2.6733 2.8789 2.8789 3.1574 3.1574 3.6428 3.6428 3.9806 3.9806 4.0345 4.0345 4.1364 4.1364 4.3673 4.3673 4.4778 4.4778 4.5049 4.5049 4.6129 4.6129 5.6344 5.6344 5.8763 5.8763 6.4465 6.4465 9.0879 9.0879 9.5508 9.5508 10.1793 10.1793 11.0884 11.0884 12.3903 12.3903 k =-0.1891 0.1404 0.6226 ( 3552 PWs) bands (ev): -16.8455 -16.8455 -16.6630 -16.6630 -12.5955 -12.5955 -12.5679 -12.5679 -1.8337 -1.8337 -1.6421 -1.6421 -1.5652 -1.5652 -0.6778 -0.6778 -0.2805 -0.2805 -0.1597 -0.1597 0.7586 0.7586 0.8308 0.8308 2.6613 2.6613 2.8898 2.8898 3.1851 3.1851 3.6489 3.6489 3.9695 3.9695 4.0124 4.0124 4.1213 4.1213 4.3626 4.3626 4.4603 4.4603 4.4969 4.4969 4.6076 4.6076 5.6414 5.6414 5.8751 5.8751 6.4234 6.4234 9.1889 9.1889 9.5208 9.5208 10.2242 10.2242 11.0594 11.0594 12.4608 12.4608 k =-0.2017 0.1497 0.6226 ( 3568 PWs) bands (ev): -16.8435 -16.8435 -16.6647 -16.6647 -12.5950 -12.5950 -12.5688 -12.5688 -1.8465 -1.8465 -1.6309 -1.6309 -1.5764 -1.5764 -0.6715 -0.6715 -0.2379 -0.2379 -0.1580 -0.1580 0.7576 0.7576 0.8000 0.8000 2.6392 2.6392 2.9097 2.9097 3.2133 3.2133 3.6544 3.6544 3.9549 3.9549 3.9957 3.9957 4.1065 4.1065 4.3576 4.3576 4.4423 4.4423 4.4886 4.4886 4.6026 4.6026 5.6489 5.6489 5.8738 5.8738 6.3998 6.3998 9.2924 9.2924 9.4879 9.4879 10.2714 10.2714 11.0343 11.0343 12.5348 12.5348 k =-0.2144 0.1591 0.6226 ( 3560 PWs) bands (ev): -16.8416 -16.8416 -16.6663 -16.6663 -12.5945 -12.5945 -12.5698 -12.5698 -1.8595 -1.8595 -1.6193 -1.6193 -1.5853 -1.5853 -0.6651 -0.6651 -0.1982 -0.1982 -0.1562 -0.1562 0.7549 0.7549 0.7723 0.7723 2.6094 2.6094 2.9364 2.9364 3.2418 3.2418 3.6594 3.6594 3.9381 3.9381 3.9837 3.9837 4.0922 4.0922 4.3526 4.3526 4.4238 4.4238 4.4801 4.4801 4.5980 4.5980 5.6567 5.6567 5.8723 5.8723 6.3756 6.3756 9.3978 9.3978 9.4526 9.4526 10.3209 10.3209 11.0132 11.0132 12.6123 12.6123 k =-0.2270 0.1684 0.6226 ( 3560 PWs) bands (ev): -16.8395 -16.8395 -16.6680 -16.6680 -12.5940 -12.5940 -12.5707 -12.5707 -1.8727 -1.8727 -1.6075 -1.6075 -1.5917 -1.5917 -0.6589 -0.6589 -0.1630 -0.1630 -0.1537 -0.1537 0.7375 0.7375 0.7615 0.7615 2.5740 2.5740 2.9675 2.9675 3.2704 3.2704 3.6634 3.6634 3.9213 3.9213 3.9744 3.9744 4.0786 4.0786 4.3473 4.3473 4.4051 4.4051 4.4711 4.4711 4.5940 4.5940 5.6648 5.6648 5.8706 5.8706 6.3509 6.3509 9.4137 9.4137 9.5059 9.5059 10.3724 10.3724 10.9957 10.9957 12.6930 12.6930 k =-0.2396 0.1778 0.6226 ( 3558 PWs) bands (ev): -16.8375 -16.8375 -16.6697 -16.6697 -12.5935 -12.5935 -12.5717 -12.5717 -1.8858 -1.8858 -1.5990 -1.5990 -1.5924 -1.5924 -0.6528 -0.6528 -0.1532 -0.1532 -0.1301 -0.1301 0.7130 0.7130 0.7610 0.7610 2.5347 2.5347 3.0018 3.0018 3.2988 3.2988 3.6663 3.6663 3.9059 3.9059 3.9663 3.9663 4.0660 4.0660 4.3417 4.3417 4.3862 4.3862 4.4616 4.4616 4.5907 4.5907 5.6733 5.6733 5.8687 5.8687 6.3259 6.3259 9.3735 9.3735 9.6146 9.6146 10.4258 10.4258 10.9816 10.9816 12.7767 12.7767 k =-0.2522 0.1872 0.6226 ( 3558 PWs) bands (ev): -16.8354 -16.8354 -16.6714 -16.6714 -12.5929 -12.5929 -12.5727 -12.5727 -1.8990 -1.8990 -1.5996 -1.5996 -1.5813 -1.5813 -0.6470 -0.6470 -0.1511 -0.1511 -0.1042 -0.1042 0.6912 0.6912 0.7618 0.7618 2.4925 2.4925 3.0382 3.0382 3.3268 3.3268 3.6678 3.6678 3.8924 3.8924 3.9591 3.9591 4.0547 4.0547 4.3358 4.3358 4.3673 4.3673 4.4517 4.4517 4.5882 4.5882 5.6821 5.6821 5.8666 5.8666 6.3005 6.3005 9.3314 9.3314 9.7244 9.7244 10.4809 10.4809 10.9707 10.9707 12.7945 12.7945 k =-0.2648 0.1965 0.6226 ( 3554 PWs) bands (ev): -16.8334 -16.8334 -16.6731 -16.6731 -12.5924 -12.5924 -12.5738 -12.5738 -1.9120 -1.9120 -1.5995 -1.5995 -1.5687 -1.5687 -0.6416 -0.6416 -0.1492 -0.1492 -0.0843 -0.0843 0.6739 0.6739 0.7634 0.7634 2.4482 2.4482 3.0762 3.0762 3.3542 3.3542 3.6680 3.6680 3.8807 3.8807 3.9527 3.9527 4.0450 4.0450 4.3291 4.3291 4.3489 4.3489 4.4413 4.4413 4.5866 4.5866 5.6911 5.6911 5.8644 5.8644 6.2750 6.2750 9.2878 9.2878 9.8349 9.8349 10.5376 10.5376 10.9625 10.9625 12.7616 12.7616 k =-0.2774 0.2059 0.6226 ( 3562 PWs) bands (ev): -16.8313 -16.8313 -16.6748 -16.6748 -12.5919 -12.5919 -12.5748 -12.5748 -1.9248 -1.9248 -1.5973 -1.5973 -1.5558 -1.5558 -0.6366 -0.6366 -0.1474 -0.1474 -0.0714 -0.0714 0.6618 0.6618 0.7655 0.7655 2.4024 2.4024 3.1152 3.1152 3.3807 3.3807 3.6669 3.6669 3.8703 3.8703 3.9474 3.9474 4.0369 4.0369 4.3194 4.3194 4.3333 4.3333 4.4304 4.4304 4.5861 4.5861 5.7003 5.7003 5.8621 5.8621 6.2493 6.2493 9.2431 9.2431 9.9458 9.9458 10.5958 10.5958 10.9568 10.9568 12.7273 12.7273 k =-0.2900 0.2152 0.6226 ( 3564 PWs) bands (ev): -16.8293 -16.8293 -16.6765 -16.6765 -12.5914 -12.5914 -12.5758 -12.5758 -1.9373 -1.9373 -1.5930 -1.5930 -1.5429 -1.5429 -0.6322 -0.6322 -0.1455 -0.1455 -0.0656 -0.0656 0.6555 0.6555 0.7682 0.7682 2.3558 2.3558 3.1551 3.1551 3.4062 3.4062 3.6647 3.6647 3.8606 3.8606 3.9436 3.9436 4.0305 4.0305 4.3038 4.3038 4.3233 4.3233 4.4190 4.4190 4.5866 4.5866 5.7095 5.7095 5.8598 5.8598 6.2237 6.2237 9.1978 9.1978 10.0568 10.0568 10.6552 10.6552 10.9532 10.9532 12.6919 12.6919 k =-0.3026 0.2246 0.6226 ( 3556 PWs) bands (ev): -16.8273 -16.8273 -16.6781 -16.6781 -12.5909 -12.5909 -12.5768 -12.5768 -1.9495 -1.9495 -1.5868 -1.5868 -1.5300 -1.5300 -0.6285 -0.6285 -0.1437 -0.1437 -0.0670 -0.0670 0.6549 0.6549 0.7714 0.7714 2.3088 2.3088 3.1954 3.1954 3.4306 3.4306 3.6616 3.6616 3.8510 3.8510 3.9418 3.9418 4.0258 4.0258 4.2854 4.2854 4.3162 4.3162 4.4073 4.4073 4.5882 4.5882 5.7188 5.7188 5.8575 5.8575 6.1983 6.1983 9.1523 9.1523 10.1676 10.1676 10.7157 10.7157 10.9516 10.9516 12.6551 12.6551 k =-0.3152 0.2339 0.6226 ( 3552 PWs) bands (ev): -16.8254 -16.8254 -16.6797 -16.6797 -12.5904 -12.5904 -12.5778 -12.5778 -1.9612 -1.9612 -1.5787 -1.5787 -1.5172 -1.5172 -0.6257 -0.6257 -0.1419 -0.1419 -0.0748 -0.0748 0.6597 0.6597 0.7752 0.7752 2.2619 2.2619 3.2359 3.2359 3.4537 3.4537 3.6579 3.6579 3.8409 3.8409 3.9421 3.9421 4.0227 4.0227 4.2664 4.2664 4.3096 4.3096 4.3953 4.3953 4.5909 4.5909 5.7280 5.7280 5.8552 5.8552 6.1733 6.1733 9.1070 9.1070 10.2778 10.2778 10.7770 10.7770 10.9515 10.9515 12.6170 12.6170 k =-0.3278 0.2433 0.6226 ( 3552 PWs) bands (ev): -16.8235 -16.8235 -16.6812 -16.6812 -12.5899 -12.5899 -12.5788 -12.5788 -1.9725 -1.9725 -1.5688 -1.5688 -1.5047 -1.5047 -0.6239 -0.6239 -0.1402 -0.1402 -0.0880 -0.0880 0.6691 0.6691 0.7794 0.7794 2.2155 2.2155 3.2763 3.2763 3.4754 3.4754 3.6538 3.6538 3.8303 3.8303 3.9444 3.9444 4.0210 4.0210 4.2472 4.2472 4.3032 4.3032 4.3829 4.3829 4.5946 4.5946 5.7370 5.7370 5.8531 5.8531 6.1487 6.1487 9.0623 9.0623 10.3873 10.3873 10.8388 10.8388 10.9530 10.9530 12.5774 12.5774 k =-0.3404 0.2527 0.6226 ( 3550 PWs) bands (ev): -16.8218 -16.8218 -16.6827 -16.6827 -12.5895 -12.5895 -12.5798 -12.5798 -1.9832 -1.9832 -1.5573 -1.5573 -1.4924 -1.4924 -0.6233 -0.6233 -0.1386 -0.1386 -0.1052 -0.1052 0.6820 0.6820 0.7840 0.7840 2.1700 2.1700 3.3164 3.3164 3.4956 3.4956 3.6495 3.6495 3.8191 3.8191 3.9484 3.9484 4.0206 4.0206 4.2280 4.2280 4.2966 4.2966 4.3705 4.3705 4.5992 4.5992 5.7455 5.7455 5.8512 5.8512 6.1249 6.1249 9.0187 9.0187 10.4956 10.4956 10.8999 10.8999 10.9566 10.9566 12.5364 12.5364 k =-0.3531 0.2620 0.6226 ( 3550 PWs) bands (ev): -16.8200 -16.8200 -16.6841 -16.6841 -12.5891 -12.5891 -12.5807 -12.5807 -1.9933 -1.9933 -1.5445 -1.5445 -1.4807 -1.4807 -0.6242 -0.6242 -0.1373 -0.1373 -0.1251 -0.1251 0.6974 0.6974 0.7891 0.7891 2.1260 2.1260 3.3559 3.3559 3.5144 3.5144 3.6454 3.6454 3.8076 3.8076 3.9538 3.9538 4.0215 4.0215 4.2090 4.2090 4.2900 4.2900 4.3581 4.3581 4.6045 4.6045 5.7535 5.7535 5.8496 5.8496 6.1021 6.1021 8.9765 8.9765 10.6024 10.6024 10.9467 10.9467 10.9756 10.9756 12.4938 12.4938 k =-0.3657 0.2714 0.6226 ( 3550 PWs) bands (ev): -16.8184 -16.8184 -16.6854 -16.6854 -12.5886 -12.5886 -12.5815 -12.5815 -2.0028 -2.0028 -1.5304 -1.5304 -1.4694 -1.4694 -0.6265 -0.6265 -0.1476 -0.1476 -0.1349 -0.1349 0.7142 0.7142 0.7945 0.7945 2.0837 2.0837 3.3945 3.3945 3.5316 3.5316 3.6415 3.6415 3.7960 3.7960 3.9602 3.9602 4.0233 4.0233 4.1902 4.1902 4.2830 4.2830 4.3459 4.3459 4.6104 4.6104 5.7607 5.7607 5.8484 5.8484 6.0803 6.0803 8.9361 8.9361 10.7076 10.7076 10.9564 10.9564 11.0322 11.0322 12.4497 12.4497 k =-0.3783 0.2807 0.6226 ( 3550 PWs) bands (ev): -16.8169 -16.8169 -16.6866 -16.6866 -12.5883 -12.5883 -12.5824 -12.5824 -2.0116 -2.0116 -1.5155 -1.5155 -1.4587 -1.4587 -0.6305 -0.6305 -0.1693 -0.1693 -0.1338 -0.1338 0.7316 0.7316 0.8002 0.8002 2.0436 2.0436 3.4321 3.4321 3.5473 3.5473 3.6379 3.6379 3.7845 3.7845 3.9672 3.9672 4.0260 4.0260 4.1718 4.1718 4.2756 4.2756 4.3343 4.3343 4.6168 4.6168 5.7670 5.7670 5.8477 5.8477 6.0600 6.0600 8.8979 8.8979 10.8105 10.8105 10.9610 10.9610 11.0941 11.0941 12.4039 12.4039 k =-0.3909 0.2901 0.6226 ( 3558 PWs) bands (ev): -16.8156 -16.8156 -16.6878 -16.6878 -12.5879 -12.5879 -12.5831 -12.5831 -2.0197 -2.0197 -1.4999 -1.4999 -1.4488 -1.4488 -0.6361 -0.6361 -0.1905 -0.1905 -0.1325 -0.1325 0.7488 0.7488 0.8060 0.8060 2.0059 2.0059 3.4681 3.4681 3.5616 3.5616 3.6346 3.6346 3.7733 3.7733 3.9747 3.9747 4.0293 4.0293 4.1538 4.1538 4.2676 4.2676 4.3235 4.3235 4.6234 4.6234 5.7722 5.7722 5.8475 5.8475 6.0413 6.0413 8.8623 8.8623 10.9105 10.9105 10.9653 10.9653 11.1560 11.1560 12.3564 12.3564 k =-0.4035 0.2994 0.6226 ( 3562 PWs) bands (ev): -16.8143 -16.8143 -16.6888 -16.6888 -12.5876 -12.5876 -12.5838 -12.5838 -2.0269 -2.0269 -1.4841 -1.4841 -1.4396 -1.4396 -0.6433 -0.6433 -0.2103 -0.2103 -0.1314 -0.1314 0.7652 0.7652 0.8120 0.8120 1.9712 1.9712 3.5023 3.5023 3.5744 3.5744 3.6320 3.6320 3.7625 3.7625 3.9822 3.9822 4.0332 4.0332 4.1364 4.1364 4.2589 4.2589 4.3138 4.3138 4.6300 4.6300 5.7763 5.7763 5.8476 5.8476 6.0245 6.0245 8.8296 8.8296 10.9670 10.9670 11.0100 11.0100 11.2168 11.2168 12.3073 12.3073 k =-0.4161 0.3088 0.6226 ( 3550 PWs) bands (ev): -16.8132 -16.8132 -16.6897 -16.6897 -12.5874 -12.5874 -12.5844 -12.5844 -2.0334 -2.0334 -1.4686 -1.4686 -1.4312 -1.4312 -0.6517 -0.6517 -0.2281 -0.2281 -0.1303 -0.1303 0.7802 0.7802 0.8179 0.8179 1.9397 1.9397 3.5342 3.5342 3.5859 3.5859 3.6301 3.6301 3.7521 3.7521 3.9897 3.9897 4.0375 4.0375 4.1198 4.1198 4.2497 4.2497 4.3054 4.3054 4.6365 4.6365 5.7793 5.7793 5.8480 5.8480 6.0099 6.0099 8.8000 8.8000 10.9712 10.9712 11.1034 11.1034 11.2759 11.2759 12.2569 12.2569 k =-0.4287 0.3182 0.6226 ( 3542 PWs) bands (ev): -16.8122 -16.8122 -16.6905 -16.6905 -12.5871 -12.5871 -12.5849 -12.5849 -2.0390 -2.0390 -1.4537 -1.4537 -1.4238 -1.4238 -0.6610 -0.6610 -0.2434 -0.2434 -0.1294 -0.1294 0.7934 0.7934 0.8239 0.8239 1.9119 1.9119 3.5632 3.5632 3.5957 3.5957 3.6292 3.6292 3.7424 3.7424 3.9968 3.9968 4.0421 4.0421 4.1043 4.1043 4.2401 4.2401 4.2985 4.2985 4.6425 4.6425 5.7814 5.7814 5.8484 5.8484 5.9974 5.9974 8.7740 8.7740 10.9745 10.9745 11.1929 11.1929 11.3323 11.3323 12.2054 12.2054 k =-0.4413 0.3275 0.6226 ( 3538 PWs) bands (ev): -16.8114 -16.8114 -16.6911 -16.6911 -12.5870 -12.5870 -12.5854 -12.5854 -2.0437 -2.0437 -1.4402 -1.4402 -1.4173 -1.4173 -0.6705 -0.6705 -0.2561 -0.2561 -0.1286 -0.1286 0.8044 0.8044 0.8297 0.8297 1.8879 1.8879 3.5881 3.5881 3.6037 3.6037 3.6304 3.6304 3.7334 3.7334 4.0031 4.0031 4.0467 4.0467 4.0902 4.0902 4.2304 4.2304 4.2930 4.2930 4.6479 4.6479 5.7827 5.7827 5.8487 5.8487 5.9874 5.9874 8.7517 8.7517 10.9773 10.9773 11.2770 11.2770 11.3848 11.3848 12.1537 12.1537 k =-0.4539 0.3369 0.6226 ( 3538 PWs) bands (ev): -16.8107 -16.8107 -16.6917 -16.6917 -12.5869 -12.5869 -12.5857 -12.5857 -2.0476 -2.0476 -1.4287 -1.4287 -1.4116 -1.4116 -0.6796 -0.6796 -0.2661 -0.2661 -0.1280 -0.1280 0.8129 0.8129 0.8351 0.8351 1.8682 1.8682 3.6058 3.6058 3.6105 3.6105 3.6354 3.6354 3.7252 3.7252 4.0084 4.0084 4.0511 4.0511 4.0780 4.0780 4.2213 4.2213 4.2887 4.2887 4.6525 4.6525 5.7836 5.7836 5.8487 5.8487 5.9796 5.9796 8.7335 8.7335 10.9797 10.9797 11.3536 11.3536 11.4320 11.4320 12.1030 12.1030 k =-0.4539 0.3369 0.6226 ( 3538 PWs) bands (ev): -16.8107 -16.8107 -16.6917 -16.6917 -12.5869 -12.5869 -12.5857 -12.5857 -2.0476 -2.0476 -1.4287 -1.4287 -1.4116 -1.4116 -0.6796 -0.6796 -0.2661 -0.2661 -0.1280 -0.1280 0.8129 0.8129 0.8351 0.8351 1.8682 1.8682 3.6058 3.6058 3.6105 3.6105 3.6354 3.6354 3.7252 3.7252 4.0084 4.0084 4.0511 4.0511 4.0780 4.0780 4.2213 4.2213 4.2887 4.2887 4.6525 4.6525 5.7836 5.7836 5.8487 5.8487 5.9796 5.9796 8.7335 8.7335 10.9797 10.9797 11.3536 11.3536 11.4320 11.4320 12.1030 12.1030 k =-0.4616 0.3426 0.6131 ( 3540 PWs) bands (ev): -16.8104 -16.8104 -16.6919 -16.6919 -12.5868 -12.5868 -12.5858 -12.5858 -2.0493 -2.0493 -1.4233 -1.4233 -1.4091 -1.4091 -0.6839 -0.6839 -0.2706 -0.2706 -0.1277 -0.1277 0.8166 0.8166 0.8379 0.8379 1.8593 1.8593 3.6093 3.6093 3.6164 3.6164 3.6402 3.6402 3.7210 3.7210 4.0108 4.0108 4.0532 4.0532 4.0724 4.0724 4.2168 4.2168 4.2867 4.2867 4.6547 4.6547 5.7837 5.7837 5.8486 5.8486 5.9763 5.9763 8.7252 8.7252 10.9807 10.9807 11.3919 11.3919 11.4547 11.4547 12.0765 12.0765 k =-0.4693 0.3483 0.6035 ( 3542 PWs) bands (ev): -16.8102 -16.8102 -16.6921 -16.6921 -12.5868 -12.5868 -12.5859 -12.5859 -2.0503 -2.0503 -1.4199 -1.4199 -1.4076 -1.4076 -0.6865 -0.6865 -0.2733 -0.2733 -0.1275 -0.1275 0.8186 0.8186 0.8397 0.8397 1.8539 1.8539 3.6104 3.6104 3.6203 3.6203 3.6442 3.6442 3.7181 3.7181 4.0124 4.0124 4.0543 4.0543 4.0691 4.0691 4.2141 4.2141 4.2856 4.2856 4.6560 4.6560 5.7838 5.7838 5.8486 5.8486 5.9743 5.9743 8.7203 8.7203 10.9814 10.9814 11.4171 11.4171 11.4683 11.4683 12.0589 12.0589 k =-0.4770 0.3540 0.5940 ( 3540 PWs) bands (ev): -16.8101 -16.8101 -16.6921 -16.6921 -12.5868 -12.5868 -12.5859 -12.5859 -2.0507 -2.0507 -1.4188 -1.4188 -1.4071 -1.4071 -0.6874 -0.6874 -0.2742 -0.2742 -0.1275 -0.1275 0.8193 0.8193 0.8403 0.8403 1.8521 1.8521 3.6107 3.6107 3.6216 3.6216 3.6457 3.6457 3.7171 3.7171 4.0129 4.0129 4.0546 4.0546 4.0680 4.0680 4.2131 4.2131 4.2852 4.2852 4.6565 4.6565 5.7837 5.7837 5.8486 5.8486 5.9737 5.9737 8.7186 8.7186 10.9816 10.9816 11.4260 11.4260 11.4728 11.4728 12.0528 12.0528 k =-0.4770 0.3540 0.5940 ( 3540 PWs) bands (ev): -16.8101 -16.8101 -16.6921 -16.6921 -12.5868 -12.5868 -12.5859 -12.5859 -2.0507 -2.0507 -1.4188 -1.4188 -1.4071 -1.4071 -0.6874 -0.6874 -0.2742 -0.2742 -0.1275 -0.1275 0.8193 0.8193 0.8403 0.8403 1.8521 1.8521 3.6107 3.6107 3.6216 3.6216 3.6457 3.6457 3.7171 3.7171 4.0129 4.0129 4.0546 4.0546 4.0680 4.0680 4.2131 4.2131 4.2852 4.2852 4.6565 4.6565 5.7837 5.7837 5.8486 5.8486 5.9737 5.9737 8.7186 8.7186 10.9816 10.9816 11.4260 11.4260 11.4728 11.4728 12.0528 12.0528 k =-0.4680 0.3473 0.5828 ( 3544 PWs) bands (ev): -16.8107 -16.8107 -16.6917 -16.6917 -12.5867 -12.5867 -12.5858 -12.5858 -2.0478 -2.0478 -1.4268 -1.4268 -1.4132 -1.4132 -0.6785 -0.6785 -0.2674 -0.2674 -0.1280 -0.1280 0.8128 0.8128 0.8357 0.8357 1.8672 1.8672 3.6054 3.6054 3.6164 3.6164 3.6327 3.6327 3.7234 3.7234 4.0098 4.0098 4.0497 4.0497 4.0778 4.0778 4.2216 4.2216 4.2880 4.2880 4.6529 4.6529 5.7826 5.7826 5.8493 5.8493 5.9789 5.9789 8.7327 8.7327 10.9798 10.9798 11.3635 11.3635 11.4303 11.4303 12.0992 12.0992 k =-0.4590 0.3406 0.5715 ( 3546 PWs) bands (ev): -16.8113 -16.8113 -16.6912 -16.6912 -12.5867 -12.5867 -12.5857 -12.5857 -2.0440 -2.0440 -1.4378 -1.4378 -1.4205 -1.4205 -0.6669 -0.6669 -0.2585 -0.2585 -0.1286 -0.1286 0.8036 0.8036 0.8304 0.8304 1.8869 1.8869 3.5914 3.5914 3.6135 3.6135 3.6213 3.6213 3.7303 3.7303 4.0057 4.0057 4.0435 4.0435 4.0905 4.0905 4.2319 4.2319 4.2918 4.2918 4.6485 4.6485 5.7804 5.7804 5.8501 5.8501 5.9862 5.9862 8.7512 8.7512 10.9774 10.9774 11.2909 11.2909 11.3807 11.3807 12.1488 12.1488 k =-0.4500 0.3339 0.5603 ( 3550 PWs) bands (ev): -16.8122 -16.8122 -16.6905 -16.6905 -12.5866 -12.5866 -12.5854 -12.5854 -2.0392 -2.0392 -1.4515 -1.4515 -1.4287 -1.4287 -0.6528 -0.6528 -0.2479 -0.2479 -0.1294 -0.1294 0.7916 0.7916 0.8245 0.8245 1.9110 1.9110 3.5704 3.5704 3.6075 3.6075 3.6159 3.6159 3.7376 3.7376 4.0003 4.0003 4.0371 4.0371 4.1056 4.1056 4.2433 4.2433 4.2963 4.2963 4.6435 4.6435 5.7766 5.7766 5.8511 5.8511 5.9954 5.9954 8.7742 8.7742 10.9745 10.9745 11.2116 11.2116 11.3257 11.3257 12.1981 12.1981 k =-0.4410 0.3273 0.5491 ( 3546 PWs) bands (ev): -16.8132 -16.8132 -16.6897 -16.6897 -12.5866 -12.5866 -12.5852 -12.5852 -2.0336 -2.0336 -1.4675 -1.4675 -1.4377 -1.4377 -0.6364 -0.6364 -0.2356 -0.2356 -0.1303 -0.1303 0.7771 0.7771 0.8180 0.8180 1.9391 1.9391 3.5452 3.5452 3.5981 3.5981 3.6147 3.6147 3.7452 3.7452 3.9930 3.9930 4.0322 4.0322 4.1225 4.1225 4.2552 4.2552 4.3019 4.3019 4.6380 4.6380 5.7709 5.7709 5.8524 5.8524 6.0065 6.0065 8.8015 8.8015 10.9711 10.9711 11.1280 11.1280 11.2672 11.2672 12.2453 12.2453 k =-0.4320 0.3206 0.5379 ( 3550 PWs) bands (ev): -16.8144 -16.8144 -16.6887 -16.6887 -12.5865 -12.5865 -12.5848 -12.5848 -2.0271 -2.0271 -1.4856 -1.4856 -1.4475 -1.4475 -0.6180 -0.6180 -0.2219 -0.2219 -0.1313 -0.1313 0.7603 0.7603 0.8107 0.8107 1.9710 1.9710 3.5173 3.5173 3.5880 3.5880 3.6140 3.6140 3.7530 3.7530 3.9831 3.9831 4.0297 4.0297 4.1408 4.1408 4.2670 4.2670 4.3087 4.3087 4.6322 4.6322 5.7631 5.7631 5.8537 5.8537 6.0193 6.0193 8.8329 8.8329 10.9671 10.9671 11.0415 11.0415 11.2064 11.2064 12.2887 12.2887 k =-0.4230 0.3139 0.5267 ( 3552 PWs) bands (ev): -16.8157 -16.8157 -16.6877 -16.6877 -12.5865 -12.5865 -12.5844 -12.5844 -2.0198 -2.0198 -1.5053 -1.5053 -1.4579 -1.4579 -0.5977 -0.5977 -0.2071 -0.2071 -0.1325 -0.1325 0.7415 0.7415 0.8026 0.8026 2.0063 2.0063 3.4875 3.4875 3.5776 3.5776 3.6134 3.6134 3.7610 3.7610 3.9710 3.9710 4.0301 4.0301 4.1601 4.1601 4.2779 4.2779 4.3172 4.3172 4.6265 4.6265 5.7531 5.7531 5.8551 5.8551 6.0334 6.0334 8.8685 8.8685 10.9485 10.9485 10.9670 10.9670 11.1444 11.1444 12.3272 12.3272 k =-0.4140 0.3072 0.5155 ( 3548 PWs) bands (ev): -16.8172 -16.8172 -16.6865 -16.6865 -12.5864 -12.5864 -12.5840 -12.5840 -2.0117 -2.0117 -1.5264 -1.5264 -1.4688 -1.4688 -0.5757 -0.5757 -0.1914 -0.1914 -0.1337 -0.1337 0.7209 0.7209 0.7936 0.7936 2.0447 2.0447 3.4566 3.4566 3.5668 3.5668 3.6127 3.6127 3.7690 3.7690 3.9574 3.9574 4.0331 4.0331 4.1802 4.1802 4.2874 4.2874 4.3276 4.3276 4.6209 4.6209 5.7409 5.7409 5.8563 5.8563 6.0484 6.0484 8.9079 8.9079 10.8605 10.8605 10.9598 10.9598 11.0824 11.0824 12.3599 12.3599 k =-0.4050 0.3005 0.5043 ( 3548 PWs) bands (ev): -16.8188 -16.8188 -16.6852 -16.6852 -12.5864 -12.5864 -12.5835 -12.5835 -2.0028 -2.0028 -1.5485 -1.5485 -1.4799 -1.4799 -0.5523 -0.5523 -0.1750 -0.1750 -0.1350 -0.1350 0.6988 0.6988 0.7836 0.7836 2.0856 2.0856 3.4250 3.4250 3.5556 3.5556 3.6118 3.6118 3.7766 3.7766 3.9433 3.9433 4.0385 4.0385 4.2008 4.2008 4.2954 4.2954 4.3399 4.3399 4.6158 4.6158 5.7267 5.7267 5.8571 5.8571 6.0639 6.0639 8.9510 8.9510 10.7690 10.7690 10.9542 10.9542 11.0213 11.0213 12.3857 12.3857 k =-0.3960 0.2939 0.4931 ( 3544 PWs) bands (ev): -16.8206 -16.8206 -16.6837 -16.6837 -12.5863 -12.5863 -12.5829 -12.5829 -1.9933 -1.9933 -1.5714 -1.5714 -1.4913 -1.4913 -0.5276 -0.5276 -0.1583 -0.1583 -0.1363 -0.1363 0.6753 0.6753 0.7726 0.7726 2.1289 2.1289 3.3930 3.3930 3.5441 3.5441 3.6108 3.6108 3.7834 3.7834 3.9299 3.9299 4.0460 4.0460 4.2216 4.2216 4.3023 4.3023 4.3538 4.3538 4.6112 4.6112 5.7106 5.7106 5.8573 5.8573 6.0793 6.0793 8.9978 8.9978 10.6768 10.6768 10.9423 10.9423 10.9678 10.9678 12.4040 12.4040 k =-0.3870 0.2872 0.4819 ( 3544 PWs) bands (ev): -16.8225 -16.8225 -16.6822 -16.6822 -12.5862 -12.5862 -12.5823 -12.5823 -1.9830 -1.9830 -1.5949 -1.5949 -1.5026 -1.5026 -0.5018 -0.5018 -0.1426 -0.1426 -0.1366 -0.1366 0.6509 0.6509 0.7606 0.7606 2.1741 2.1741 3.3612 3.3612 3.5322 3.5322 3.6097 3.6097 3.7885 3.7885 3.9183 3.9183 4.0555 4.0555 4.2425 4.2425 4.3085 4.3085 4.3689 4.3689 4.6072 4.6072 5.6927 5.6927 5.8568 5.8568 6.0942 6.0942 9.0479 9.0479 10.5842 10.5842 10.8951 10.8951 10.9512 10.9512 12.4141 12.4141 k =-0.3780 0.2805 0.4707 ( 3548 PWs) bands (ev): -16.8246 -16.8246 -16.6806 -16.6806 -12.5861 -12.5861 -12.5817 -12.5817 -1.9722 -1.9722 -1.6186 -1.6186 -1.5138 -1.5138 -0.4752 -0.4752 -0.1402 -0.1402 -0.1236 -0.1236 0.6256 0.6256 0.7475 0.7475 2.2207 2.2207 3.3296 3.3296 3.5199 3.5199 3.6085 3.6085 3.7908 3.7908 3.9100 3.9100 4.0668 4.0668 4.2630 4.2630 4.3144 4.3144 4.3849 4.3849 4.6039 4.6039 5.6731 5.6731 5.8555 5.8555 6.1080 6.1080 9.1011 9.1011 10.4917 10.4917 10.8386 10.8386 10.9458 10.9458 12.4158 12.4158 k =-0.3690 0.2738 0.4595 ( 3548 PWs) bands (ev): -16.8268 -16.8268 -16.6788 -16.6788 -12.5859 -12.5859 -12.5811 -12.5811 -1.9607 -1.9607 -1.6424 -1.6424 -1.5247 -1.5247 -0.4479 -0.4479 -0.1416 -0.1416 -0.1074 -0.1074 0.5998 0.5998 0.7334 0.7334 2.2683 2.2683 3.2989 3.2989 3.5074 3.5074 3.6074 3.6074 3.7892 3.7892 3.9066 3.9066 4.0798 4.0798 4.2828 4.2828 4.3206 4.3206 4.4020 4.4020 4.6014 4.6014 5.6520 5.6520 5.8531 5.8531 6.1204 6.1204 9.1574 9.1574 10.3996 10.3996 10.7833 10.7833 10.9416 10.9416 12.4089 12.4089 k =-0.3600 0.2671 0.4483 ( 3548 PWs) bands (ev): -16.8291 -16.8291 -16.6770 -16.6770 -12.5858 -12.5858 -12.5804 -12.5804 -1.9488 -1.9488 -1.6661 -1.6661 -1.5354 -1.5354 -0.4200 -0.4200 -0.1432 -0.1432 -0.0919 -0.0919 0.5740 0.5740 0.7183 0.7183 2.3166 2.3166 3.2691 3.2691 3.4947 3.4947 3.6064 3.6064 3.7831 3.7831 3.9085 3.9085 4.0945 4.0945 4.3006 4.3006 4.3281 4.3281 4.4203 4.4203 4.5999 4.5999 5.6296 5.6296 5.8496 5.8496 6.1310 6.1310 9.2165 9.2165 10.3082 10.3082 10.7303 10.7303 10.9382 10.9382 12.3937 12.3937 k =-0.3510 0.2605 0.4371 ( 3548 PWs) bands (ev): -16.8316 -16.8316 -16.6750 -16.6750 -12.5856 -12.5856 -12.5797 -12.5797 -1.9365 -1.9365 -1.6894 -1.6894 -1.5456 -1.5456 -0.3919 -0.3919 -0.1449 -0.1449 -0.0776 -0.0776 0.5485 0.5485 0.7023 0.7023 2.3650 2.3650 3.2407 3.2407 3.4817 3.4817 3.6055 3.6055 3.7734 3.7734 3.9151 3.9151 4.1106 4.1106 4.3142 4.3142 4.3390 4.3390 4.4398 4.4398 4.5993 4.5993 5.6058 5.6058 5.8449 5.8449 6.1392 6.1392 9.2781 9.2781 10.2177 10.2177 10.6801 10.6801 10.9354 10.9354 12.3707 12.3707 k =-0.3420 0.2538 0.4259 ( 3552 PWs) bands (ev): -16.8341 -16.8341 -16.6730 -16.6730 -12.5853 -12.5853 -12.5790 -12.5790 -1.9237 -1.9237 -1.7122 -1.7122 -1.5553 -1.5553 -0.3637 -0.3637 -0.1465 -0.1465 -0.0651 -0.0651 0.5239 0.5239 0.6854 0.6854 2.4133 2.4133 3.2137 3.2137 3.4687 3.4687 3.6049 3.6049 3.7612 3.7612 3.9254 3.9254 4.1280 4.1280 4.3229 4.3229 4.3540 4.3540 4.4609 4.4609 4.5998 4.5998 5.5808 5.5808 5.8388 5.8388 6.1448 6.1448 9.3421 9.3421 10.1284 10.1284 10.6328 10.6328 10.9333 10.9333 12.3407 12.3407 k =-0.3330 0.2471 0.4147 ( 3556 PWs) bands (ev): -16.8368 -16.8368 -16.6709 -16.6709 -12.5850 -12.5850 -12.5783 -12.5783 -1.9106 -1.9106 -1.7343 -1.7343 -1.5644 -1.5644 -0.3356 -0.3356 -0.1482 -0.1482 -0.0550 -0.0550 0.5008 0.5008 0.6677 0.6677 2.4610 2.4610 3.1884 3.1884 3.4558 3.4558 3.6047 3.6047 3.7475 3.7475 3.9381 3.9381 4.1464 4.1464 4.3290 4.3290 4.3708 4.3708 4.4838 4.4838 4.6015 4.6015 5.5548 5.5548 5.8314 5.8314 6.1474 6.1474 9.4083 9.4083 10.0405 10.0405 10.5886 10.5886 10.9320 10.9320 12.3045 12.3045 k =-0.3240 0.2404 0.4034 ( 3556 PWs) bands (ev): -16.8396 -16.8396 -16.6687 -16.6687 -12.5847 -12.5847 -12.5775 -12.5775 -1.8973 -1.8973 -1.7556 -1.7556 -1.5729 -1.5729 -0.3080 -0.3080 -0.1498 -0.1498 -0.0481 -0.0481 0.4800 0.4800 0.6495 0.6495 2.5077 2.5077 3.1650 3.1650 3.4431 3.4431 3.6048 3.6048 3.7332 3.7332 3.9527 3.9527 4.1655 4.1655 4.3341 4.3341 4.3877 4.3877 4.5088 4.5088 4.6048 4.6048 5.5278 5.5278 5.8225 5.8225 6.1467 6.1467 9.4764 9.4764 9.9543 9.9543 10.5480 10.5480 10.9315 10.9315 12.2630 12.2630 k =-0.3150 0.2338 0.3922 ( 3560 PWs) bands (ev): -16.8424 -16.8424 -16.6665 -16.6665 -12.5843 -12.5843 -12.5768 -12.5768 -1.8838 -1.8838 -1.7760 -1.7760 -1.5807 -1.5807 -0.2811 -0.2811 -0.1514 -0.1514 -0.0452 -0.0452 0.4623 0.4623 0.6308 0.6308 2.5531 2.5531 3.1437 3.1437 3.4308 3.4308 3.6055 3.6055 3.7185 3.7185 3.9684 3.9684 4.1847 4.1847 4.3387 4.3387 4.4041 4.4041 4.5352 4.5352 4.6104 4.6104 5.4998 5.4998 5.8121 5.8121 6.1426 6.1426 9.5462 9.5462 9.8699 9.8699 10.5107 10.5107 10.9321 10.9321 12.2169 12.2169 k =-0.3060 0.2271 0.3810 ( 3556 PWs) bands (ev): -16.8454 -16.8454 -16.6642 -16.6642 -12.5839 -12.5839 -12.5760 -12.5760 -1.8701 -1.8701 -1.7953 -1.7953 -1.5876 -1.5876 -0.2552 -0.2552 -0.1530 -0.1530 -0.0470 -0.0470 0.4484 0.4484 0.6120 0.6120 2.5968 2.5968 3.1247 3.1247 3.4192 3.4192 3.6068 3.6068 3.7038 3.7038 3.9849 3.9849 4.2037 4.2037 4.3433 4.3433 4.4198 4.4198 4.5615 4.5615 4.6208 4.6208 5.4711 5.4711 5.8001 5.8001 6.1349 6.1349 9.6174 9.6174 9.7878 9.7878 10.4771 10.4771 10.9337 10.9337 12.1671 12.1671 k =-0.2970 0.2204 0.3698 ( 3560 PWs) bands (ev): -16.8484 -16.8484 -16.6618 -16.6618 -12.5835 -12.5835 -12.5753 -12.5753 -1.8564 -1.8564 -1.8135 -1.8135 -1.5938 -1.5938 -0.2308 -0.2308 -0.1545 -0.1545 -0.0542 -0.0542 0.4391 0.4391 0.5935 0.5935 2.6387 2.6387 3.1080 3.1080 3.4083 3.4083 3.6086 3.6086 3.6891 3.6891 4.0019 4.0019 4.2219 4.2219 4.3479 4.3479 4.4347 4.4347 4.5829 4.5829 4.6406 4.6406 5.4417 5.4417 5.7865 5.7865 6.1234 6.1234 9.6846 9.6846 9.7131 9.7131 10.4470 10.4470 10.9364 10.9364 12.1142 12.1142 k =-0.2880 0.2137 0.3586 ( 3558 PWs) bands (ev): -16.8515 -16.8515 -16.6594 -16.6594 -12.5829 -12.5829 -12.5745 -12.5745 -1.8428 -1.8428 -1.8304 -1.8304 -1.5990 -1.5990 -0.2083 -0.2083 -0.1560 -0.1560 -0.0670 -0.0670 0.4346 0.4346 0.5755 0.5755 2.6785 2.6785 3.0938 3.0938 3.3985 3.3985 3.6110 3.6110 3.6747 3.6747 4.0193 4.0193 4.2388 4.2388 4.3526 4.3526 4.4491 4.4491 4.5968 4.5968 4.6730 4.6730 5.4116 5.4116 5.7711 5.7711 6.1081 6.1081 9.6275 9.6275 9.7663 9.7663 10.4205 10.4205 10.9404 10.9404 12.0588 12.0588 k =-0.2790 0.2070 0.3474 ( 3558 PWs) bands (ev): -16.8547 -16.8547 -16.6569 -16.6569 -12.5824 -12.5824 -12.5738 -12.5738 -1.8461 -1.8461 -1.8290 -1.8290 -1.6033 -1.6033 -0.1883 -0.1883 -0.1573 -0.1573 -0.0854 -0.0854 0.4349 0.4349 0.5587 0.5587 2.7160 2.7160 3.0822 3.0822 3.3900 3.3900 3.6139 3.6139 3.6606 3.6606 4.0369 4.0369 4.2541 4.2541 4.3576 4.3576 4.4627 4.4627 4.6062 4.6062 4.7150 4.7150 5.3810 5.3810 5.7540 5.7540 6.0889 6.0889 9.5525 9.5525 9.8408 9.8408 10.3975 10.3975 10.9457 10.9457 12.0013 12.0013 k =-0.2700 0.2004 0.3362 ( 3562 PWs) bands (ev): -16.8579 -16.8579 -16.6544 -16.6544 -12.5818 -12.5818 -12.5730 -12.5730 -1.8602 -1.8602 -1.8155 -1.8155 -1.6067 -1.6067 -0.1716 -0.1716 -0.1583 -0.1583 -0.1090 -0.1090 0.4397 0.4397 0.5435 0.5435 2.7511 2.7511 3.0731 3.0731 3.3828 3.3828 3.6168 3.6168 3.6475 3.6475 4.0544 4.0544 4.2675 4.2675 4.3629 4.3629 4.4757 4.4757 4.6140 4.6140 4.7638 4.7638 5.3500 5.3500 5.7352 5.7352 6.0659 6.0659 9.4797 9.4797 9.9166 9.9166 10.3779 10.3779 10.9524 10.9524 11.9421 11.9421 k =-0.2610 0.1937 0.3250 ( 3560 PWs) bands (ev): -16.8611 -16.8611 -16.6519 -16.6519 -12.5811 -12.5811 -12.5723 -12.5723 -1.8728 -1.8728 -1.8022 -1.8022 -1.6090 -1.6090 -0.1623 -0.1623 -0.1558 -0.1558 -0.1370 -0.1370 0.4484 0.4484 0.5306 0.5306 2.7838 2.7838 3.0667 3.0667 3.3773 3.3773 3.6175 3.6175 3.6375 3.6375 4.0718 4.0718 4.2789 4.2789 4.3685 4.3685 4.4882 4.4882 4.6212 4.6212 4.8181 4.8181 5.3187 5.3187 5.7145 5.7145 6.0392 6.0392 9.4095 9.4095 9.9930 9.9930 10.3615 10.3615 10.9605 10.9605 11.8816 11.8816 k =-0.2520 0.1870 0.3138 ( 3560 PWs) bands (ev): -16.8644 -16.8644 -16.6494 -16.6494 -12.5805 -12.5805 -12.5716 -12.5716 -1.8840 -1.8840 -1.7891 -1.7891 -1.6103 -1.6103 -0.1719 -0.1719 -0.1598 -0.1598 -0.1478 -0.1478 0.4603 0.4603 0.5207 0.5207 2.8140 2.8140 3.0631 3.0631 3.3734 3.3734 3.6105 3.6105 3.6360 3.6360 4.0890 4.0890 4.2883 4.2883 4.3742 4.3742 4.5002 4.5002 4.6282 4.6282 4.8771 4.8771 5.2870 5.2870 5.6919 5.6919 6.0090 6.0090 9.3422 9.3422 10.0700 10.0700 10.3482 10.3482 10.9700 10.9700 11.8200 11.8200 k =-0.2430 0.1803 0.3026 ( 3556 PWs) bands (ev): -16.8676 -16.8676 -16.6468 -16.6468 -12.5797 -12.5797 -12.5709 -12.5709 -1.8935 -1.8935 -1.7763 -1.7763 -1.6105 -1.6105 -0.2064 -0.2064 -0.1620 -0.1620 -0.1436 -0.1436 0.4749 0.4749 0.5142 0.5142 2.8418 2.8418 3.0621 3.0621 3.3714 3.3714 3.5986 3.5986 3.6407 3.6407 4.1060 4.1060 4.2959 4.2959 4.3800 4.3800 4.5116 4.5116 4.6352 4.6352 4.9405 4.9405 5.2552 5.2552 5.6674 5.6674 5.9754 5.9754 9.2778 9.2778 10.1472 10.1472 10.3378 10.3378 10.9809 10.9809 11.7576 11.7576 k =-0.2340 0.1736 0.2914 ( 3552 PWs) bands (ev): -16.8709 -16.8709 -16.6443 -16.6443 -12.5790 -12.5790 -12.5702 -12.5702 -1.9014 -1.9014 -1.7639 -1.7639 -1.6097 -1.6097 -0.2447 -0.2447 -0.1631 -0.1631 -0.1445 -0.1445 0.4915 0.4915 0.5117 0.5117 2.8672 2.8672 3.0637 3.0637 3.3713 3.3713 3.5856 3.5856 3.6476 3.6476 4.1225 4.1225 4.3020 4.3020 4.3856 4.3856 4.5226 4.5226 4.6422 4.6422 5.0076 5.0076 5.2234 5.2234 5.6410 5.6410 5.9386 5.9386 9.2165 9.2165 10.2243 10.2243 10.3301 10.3301 10.9933 10.9933 11.6945 11.6945 k =-0.2250 0.1670 0.2802 ( 3552 PWs) bands (ev): -16.8742 -16.8742 -16.6418 -16.6418 -12.5782 -12.5782 -12.5695 -12.5695 -1.9075 -1.9075 -1.7519 -1.7519 -1.6076 -1.6076 -0.2855 -0.2855 -0.1643 -0.1643 -0.1505 -0.1505 0.5087 0.5087 0.5142 0.5142 2.8903 2.8903 3.0680 3.0680 3.3730 3.3730 3.5725 3.5725 3.6558 3.6558 4.1385 4.1385 4.3069 4.3069 4.3909 4.3909 4.5332 4.5332 4.6491 4.6491 5.0777 5.0777 5.1917 5.1917 5.6126 5.6126 5.8990 5.8990 9.1583 9.1583 10.2999 10.2999 10.3262 10.3262 11.0072 11.0072 11.6308 11.6308 k =-0.2160 0.1603 0.2690 ( 3554 PWs) bands (ev): -16.8775 -16.8775 -16.6392 -16.6392 -12.5773 -12.5773 -12.5689 -12.5689 -1.9120 -1.9120 -1.7403 -1.7403 -1.6045 -1.6045 -0.3281 -0.3281 -0.1672 -0.1672 -0.1601 -0.1601 0.5180 0.5180 0.5299 0.5299 2.9113 2.9113 3.0750 3.0750 3.3764 3.3764 3.5597 3.5597 3.6650 3.6650 4.1538 4.1538 4.3108 4.3108 4.3959 4.3959 4.5432 4.5432 4.6560 4.6560 5.1452 5.1452 5.1654 5.1654 5.5821 5.5821 5.8569 5.8569 9.1034 9.1034 10.3196 10.3196 10.3802 10.3802 11.0224 11.0224 11.5667 11.5667 k =-0.2070 0.1536 0.2578 ( 3554 PWs) bands (ev): -16.8807 -16.8807 -16.6367 -16.6367 -12.5765 -12.5765 -12.5683 -12.5683 -1.9148 -1.9148 -1.7291 -1.7291 -1.6001 -1.6001 -0.3723 -0.3723 -0.1808 -0.1808 -0.1638 -0.1638 0.5276 0.5276 0.5500 0.5500 2.9301 2.9301 3.0845 3.0845 3.3814 3.3814 3.5476 3.5476 3.6753 3.6753 4.1684 4.1684 4.3140 4.3140 4.4003 4.4003 4.5528 4.5528 4.6628 4.6628 5.1261 5.1261 5.2280 5.2280 5.5495 5.5495 5.8126 5.8126 9.0520 9.0520 10.3183 10.3183 10.4564 10.4564 11.0390 11.0390 11.5024 11.5024 k =-0.1980 0.1469 0.2465 ( 3562 PWs) bands (ev): -16.8839 -16.8839 -16.6343 -16.6343 -12.5756 -12.5756 -12.5677 -12.5677 -1.9158 -1.9158 -1.7185 -1.7185 -1.5946 -1.5946 -0.4176 -0.4176 -0.2017 -0.2017 -0.1648 -0.1648 0.5403 0.5403 0.5707 0.5707 2.9471 2.9471 3.0966 3.0966 3.3876 3.3876 3.5367 3.5367 3.6865 3.6865 4.1821 4.1821 4.3166 4.3166 4.4041 4.4041 4.5618 4.5618 4.6694 4.6694 5.0948 5.0948 5.3046 5.3046 5.5148 5.5148 5.7665 5.7665 9.0039 9.0039 10.3183 10.3183 10.5323 10.5323 11.0567 11.0567 11.4379 11.4379 k =-0.1890 0.1403 0.2353 ( 3554 PWs) bands (ev): -16.8871 -16.8871 -16.6318 -16.6318 -12.5747 -12.5747 -12.5671 -12.5671 -1.9150 -1.9150 -1.7084 -1.7084 -1.5878 -1.5878 -0.4639 -0.4639 -0.2269 -0.2269 -0.1653 -0.1653 0.5558 0.5558 0.5919 0.5919 2.9622 2.9622 3.1112 3.1112 3.3944 3.3944 3.5278 3.5278 3.6987 3.6987 4.1947 4.1947 4.3191 4.3191 4.4075 4.4075 4.5704 4.5704 4.6761 4.6761 5.0634 5.0634 5.3824 5.3824 5.4781 5.4781 5.7190 5.7190 8.9595 8.9595 10.3195 10.3195 10.6075 10.6075 11.0757 11.0757 11.3734 11.3734 k =-0.1800 0.1336 0.2241 ( 3558 PWs) bands (ev): -16.8902 -16.8902 -16.6295 -16.6295 -12.5738 -12.5738 -12.5666 -12.5666 -1.9124 -1.9124 -1.6988 -1.6988 -1.5799 -1.5799 -0.5109 -0.5109 -0.2556 -0.2556 -0.1657 -0.1657 0.5735 0.5735 0.6131 0.6131 2.9756 2.9756 3.1281 3.1281 3.4007 3.4007 3.5217 3.5217 3.7118 3.7118 4.2058 4.2058 4.3216 4.3216 4.4103 4.4103 4.5784 4.5784 4.6825 4.6825 5.0323 5.0323 5.4381 5.4381 5.4618 5.4618 5.6707 5.6707 8.9187 8.9187 10.3217 10.3217 10.6818 10.6818 11.0956 11.0956 11.3090 11.3090 k =-0.1710 0.1269 0.2129 ( 3564 PWs) bands (ev): -16.8932 -16.8932 -16.6271 -16.6271 -12.5729 -12.5729 -12.5661 -12.5661 -1.9080 -1.9080 -1.6898 -1.6898 -1.5708 -1.5708 -0.5584 -0.5584 -0.2872 -0.2872 -0.1659 -0.1659 0.5929 0.5929 0.6344 0.6344 2.9873 2.9873 3.1474 3.1474 3.4050 3.4050 3.5201 3.5201 3.7259 3.7259 4.2152 4.2152 4.3245 4.3245 4.4127 4.4127 4.5857 4.5857 4.6888 4.6888 5.0015 5.0015 5.3979 5.3979 5.5380 5.5380 5.6231 5.6231 8.8816 8.8816 10.3247 10.3247 10.7549 10.7549 11.1161 11.1161 11.2451 11.2451 k =-0.1620 0.1202 0.2017 ( 3560 PWs) bands (ev): -16.8962 -16.8962 -16.6249 -16.6249 -12.5719 -12.5719 -12.5656 -12.5656 -1.9019 -1.9019 -1.6814 -1.6814 -1.5604 -1.5604 -0.6063 -0.6063 -0.3211 -0.3211 -0.1661 -0.1661 0.6135 0.6135 0.6554 0.6554 2.9976 2.9976 3.1689 3.1689 3.4061 3.4061 3.5242 3.5242 3.7408 3.7408 4.2225 4.2225 4.3281 4.3281 4.4145 4.4145 4.5924 4.5924 4.6949 4.6949 4.9711 4.9711 5.3551 5.3551 5.5649 5.5649 5.6246 5.6246 8.8482 8.8482 10.3283 10.3283 10.8266 10.8266 11.1353 11.1353 11.1836 11.1836 k =-0.1530 0.1135 0.1905 ( 3560 PWs) bands (ev): -16.8990 -16.8990 -16.6227 -16.6227 -12.5710 -12.5710 -12.5651 -12.5651 -1.8940 -1.8940 -1.6735 -1.6735 -1.5489 -1.5489 -0.6543 -0.6543 -0.3567 -0.3567 -0.1661 -0.1661 0.6347 0.6347 0.6761 0.6761 3.0067 3.0067 3.1925 3.1925 3.4036 3.4036 3.5344 3.5344 3.7566 3.7566 4.2273 4.2273 4.3327 4.3327 4.4160 4.4160 4.5984 4.5984 4.7008 4.7008 4.9414 4.9414 5.3105 5.3105 5.5182 5.5182 5.6986 5.6986 8.8187 8.8187 10.3322 10.3322 10.8967 10.8967 11.1120 11.1120 11.1657 11.1657 k =-0.1440 0.1069 0.1793 ( 3564 PWs) bands (ev): -16.9018 -16.9018 -16.6206 -16.6206 -12.5701 -12.5701 -12.5647 -12.5647 -1.8844 -1.8844 -1.6662 -1.6662 -1.5362 -1.5362 -0.7024 -0.7024 -0.3938 -0.3938 -0.1661 -0.1661 0.6563 0.6563 0.6963 0.6963 3.0143 3.0143 3.2182 3.2182 3.3981 3.3981 3.5499 3.5499 3.7733 3.7733 4.2295 4.2295 4.3385 4.3385 4.4171 4.4171 4.6036 4.6036 4.7063 4.7063 4.9124 4.9124 5.2646 5.2646 5.4687 5.4687 5.7740 5.7740 8.7931 8.7931 10.3365 10.3365 10.9649 10.9649 11.0511 11.0511 11.1863 11.1863 k =-0.1350 0.1002 0.1681 ( 3560 PWs) bands (ev): -16.9044 -16.9044 -16.6185 -16.6185 -12.5692 -12.5692 -12.5643 -12.5643 -1.8730 -1.8730 -1.6594 -1.6594 -1.5224 -1.5224 -0.7504 -0.7504 -0.4318 -0.4318 -0.1660 -0.1660 0.6778 0.6778 0.7160 0.7160 3.0209 3.0209 3.2458 3.2458 3.3906 3.3906 3.5698 3.5698 3.7907 3.7907 4.2291 4.2291 4.3453 4.3453 4.4178 4.4178 4.6079 4.6079 4.7112 4.7112 4.8843 4.8843 5.2176 5.2176 5.4192 5.4192 5.8476 5.8476 8.7714 8.7714 10.3408 10.3408 10.9886 10.9886 11.0316 11.0316 11.2091 11.2091 k =-0.1260 0.0935 0.1569 ( 3573 PWs) bands (ev): -16.9070 -16.9070 -16.6166 -16.6166 -12.5684 -12.5684 -12.5639 -12.5639 -1.8600 -1.8600 -1.6532 -1.6532 -1.5075 -1.5075 -0.7981 -0.7981 -0.4705 -0.4705 -0.1658 -0.1658 0.6990 0.6990 0.7350 0.7350 3.0264 3.0264 3.2751 3.2751 3.3821 3.3821 3.5928 3.5928 3.8090 3.8090 4.2261 4.2261 4.3530 4.3530 4.4183 4.4183 4.6113 4.6113 4.7150 4.7150 4.8577 4.8577 5.1702 5.1702 5.3699 5.3699 5.9189 5.9189 8.7535 8.7535 10.3451 10.3451 10.9276 10.9276 11.0952 11.0952 11.2322 11.2322 k =-0.1170 0.0868 0.1457 ( 3569 PWs) bands (ev): -16.9094 -16.9094 -16.6148 -16.6148 -12.5676 -12.5676 -12.5636 -12.5636 -1.8453 -1.8453 -1.6475 -1.6475 -1.4916 -1.4916 -0.8454 -0.8454 -0.5094 -0.5094 -0.1656 -0.1656 0.7196 0.7196 0.7533 0.7533 3.0310 3.0310 3.3058 3.3058 3.3734 3.3734 3.6184 3.6184 3.8280 3.8280 4.2208 4.2208 4.3614 4.3614 4.4185 4.4185 4.6137 4.6137 4.7169 4.7169 4.8332 4.8332 5.1229 5.1229 5.3212 5.3212 5.9872 5.9872 8.7394 8.7394 10.3492 10.3492 10.8674 10.8674 11.1564 11.1564 11.2552 11.2552 k =-0.1080 0.0801 0.1345 ( 3577 PWs) bands (ev): -16.9116 -16.9116 -16.6131 -16.6131 -12.5668 -12.5668 -12.5633 -12.5633 -1.8291 -1.8291 -1.6424 -1.6424 -1.4747 -1.4747 -0.8921 -0.8921 -0.5484 -0.5484 -0.1654 -0.1654 0.7393 0.7393 0.7708 0.7708 3.0347 3.0347 3.3370 3.3370 3.3656 3.3656 3.6458 3.6458 3.8476 3.8476 4.2133 4.2133 4.3700 4.3700 4.4184 4.4184 4.6148 4.6148 4.7157 4.7157 4.8123 4.8123 5.0765 5.0765 5.2730 5.2730 6.0520 6.0520 8.7290 8.7290 10.3531 10.3531 10.8087 10.8087 11.2147 11.2147 11.2779 11.2779 k =-0.0990 0.0735 0.1233 ( 3573 PWs) bands (ev): -16.9137 -16.9137 -16.6114 -16.6114 -12.5660 -12.5660 -12.5630 -12.5630 -1.8115 -1.8115 -1.6378 -1.6378 -1.4569 -1.4569 -0.9382 -0.9382 -0.5871 -0.5871 -0.1651 -0.1651 0.7580 0.7580 0.7873 0.7873 3.0376 3.0376 3.3519 3.3519 3.3756 3.3756 3.6746 3.6746 3.8679 3.8679 4.2040 4.2040 4.3787 4.3787 4.4181 4.4181 4.6148 4.6148 4.7093 4.7093 4.7970 4.7970 5.0318 5.0318 5.2258 5.2258 6.1130 6.1130 8.7221 8.7221 10.3567 10.3567 10.7519 10.7519 11.2699 11.2699 11.3001 11.3001 k =-0.0900 0.0668 0.1121 ( 3577 PWs) bands (ev): -16.9157 -16.9157 -16.6100 -16.6100 -12.5653 -12.5653 -12.5628 -12.5628 -1.7924 -1.7924 -1.6336 -1.6336 -1.4384 -1.4384 -0.9833 -0.9833 -0.6251 -0.6251 -0.1649 -0.1649 0.7754 0.7754 0.8029 0.8029 3.0398 3.0398 3.3453 3.3453 3.4084 3.4084 3.7044 3.7044 3.8887 3.8887 4.1928 4.1928 4.3867 4.3867 4.4179 4.4179 4.6134 4.6134 4.6968 4.6968 4.7884 4.7884 4.9895 4.9895 5.1796 5.1796 6.1697 6.1697 8.7184 8.7184 10.3598 10.3598 10.6973 10.6973 11.3199 11.3199 11.3230 11.3230 k =-0.0810 0.0601 0.1009 ( 3577 PWs) bands (ev): -16.9175 -16.9175 -16.6086 -16.6086 -12.5646 -12.5646 -12.5625 -12.5625 -1.7722 -1.7722 -1.6300 -1.6300 -1.4193 -1.4193 -1.0274 -1.0274 -0.6623 -0.6623 -0.1646 -0.1646 0.7915 0.7915 0.8174 0.8174 3.0415 3.0415 3.3378 3.3378 3.4432 3.4432 3.7347 3.7347 3.9098 3.9098 4.1799 4.1799 4.3928 4.3928 4.4185 4.4185 4.6103 4.6103 4.6797 4.6797 4.7853 4.7853 4.9504 4.9504 5.1347 5.1347 6.2219 6.2219 8.7177 8.7177 10.3625 10.3625 10.6455 10.6455 11.3413 11.3413 11.3697 11.3697 k =-0.0720 0.0534 0.0897 ( 3575 PWs) bands (ev): -16.9191 -16.9191 -16.6074 -16.6074 -12.5640 -12.5640 -12.5623 -12.5623 -1.7509 -1.7509 -1.6267 -1.6267 -1.3998 -1.3998 -1.0701 -1.0701 -0.6983 -0.6983 -0.1643 -0.1643 0.8060 0.8060 0.8307 0.8307 3.0427 3.0427 3.3309 3.3309 3.4783 3.4783 3.7652 3.7652 3.9311 3.9311 4.1653 4.1653 4.3951 4.3951 4.4216 4.4216 4.6056 4.6056 4.6609 4.6609 4.7854 4.7854 4.9151 4.9151 5.0916 5.0916 6.2691 6.2691 8.7194 8.7194 10.3646 10.3646 10.5972 10.5972 11.3601 11.3601 11.4134 11.4134 k =-0.0630 0.0468 0.0784 ( 3575 PWs) bands (ev): -16.9205 -16.9205 -16.6063 -16.6063 -12.5635 -12.5635 -12.5622 -12.5622 -1.7289 -1.7289 -1.6240 -1.6240 -1.3804 -1.3804 -1.1112 -1.1112 -0.7326 -0.7326 -0.1641 -0.1641 0.8190 0.8190 0.8428 0.8428 3.0435 3.0435 3.3246 3.3246 3.5130 3.5130 3.7955 3.7955 3.9521 3.9521 4.1491 4.1491 4.3921 4.3921 4.4280 4.4280 4.5988 4.5988 4.6428 4.6428 4.7871 4.7871 4.8841 4.8841 5.0508 5.0508 6.3112 6.3112 8.7232 8.7232 10.3660 10.3660 10.5528 10.5528 11.3774 11.3774 11.4527 11.4527 k =-0.0540 0.0401 0.0672 ( 3575 PWs) bands (ev): -16.9218 -16.9218 -16.6053 -16.6053 -12.5630 -12.5630 -12.5620 -12.5620 -1.7065 -1.7065 -1.6216 -1.6216 -1.3612 -1.3612 -1.1501 -1.1501 -0.7648 -0.7648 -0.1638 -0.1638 0.8303 0.8303 0.8536 0.8536 3.0440 3.0440 3.3190 3.3190 3.5467 3.5467 3.8253 3.8253 3.9726 3.9726 4.1312 4.1312 4.3851 4.3851 4.4365 4.4365 4.5902 4.5902 4.6272 4.6272 4.7895 4.7895 4.8577 4.8577 5.0129 5.0129 6.3480 6.3480 8.7283 8.7283 10.3664 10.3664 10.5134 10.5134 11.3928 11.3928 11.4871 11.4871 k =-0.0450 0.0334 0.0560 ( 3561 PWs) bands (ev): -16.9229 -16.9229 -16.6045 -16.6045 -12.5626 -12.5626 -12.5619 -12.5619 -1.6842 -1.6842 -1.6196 -1.6196 -1.3428 -1.3428 -1.1864 -1.1864 -0.7943 -0.7943 -0.1636 -0.1636 0.8398 0.8398 0.8629 0.8629 3.0442 3.0442 3.3143 3.3143 3.5785 3.5785 3.8545 3.8545 3.9919 3.9919 4.1117 4.1117 4.3750 4.3750 4.4463 4.4463 4.5797 4.5797 4.6152 4.6152 4.7918 4.7918 4.8359 4.8359 4.9787 4.9787 6.3793 6.3793 8.7343 8.7343 10.3655 10.3655 10.4798 10.4798 11.4063 11.4063 11.5164 11.5164 k =-0.0360 0.0267 0.0448 ( 3557 PWs) bands (ev): -16.9238 -16.9238 -16.6038 -16.6038 -12.5623 -12.5623 -12.5617 -12.5617 -1.6629 -1.6629 -1.6180 -1.6180 -1.3260 -1.3260 -1.2193 -1.2193 -0.8203 -0.8203 -0.1634 -0.1634 0.8477 0.8477 0.8707 0.8707 3.0444 3.0444 3.3104 3.3104 3.6072 3.6072 3.8829 3.8829 4.0094 4.0094 4.0906 4.0906 4.3632 4.3632 4.4571 4.4571 4.5677 4.5677 4.6070 4.6070 4.7934 4.7934 4.8188 4.8188 4.9490 4.9490 6.4049 6.4049 8.7404 8.7404 10.3628 10.3628 10.4530 10.4530 11.4176 11.4176 11.5401 11.5401 k =-0.0270 0.0200 0.0336 ( 3565 PWs) bands (ev): -16.9244 -16.9244 -16.6033 -16.6033 -12.5620 -12.5620 -12.5616 -12.5616 -1.6435 -1.6435 -1.6168 -1.6168 -1.3115 -1.3115 -1.2476 -1.2476 -0.8422 -0.8422 -0.1633 -0.1633 0.8538 0.8538 0.8769 0.8769 3.0443 3.0443 3.3072 3.3072 3.6317 3.6317 3.9106 3.9106 4.0242 4.0242 4.0682 4.0682 4.3511 4.3511 4.4687 4.4687 4.5545 4.5545 4.6021 4.6021 4.7922 4.7922 4.8080 4.8080 4.9247 4.9247 6.4249 6.4249 8.7459 8.7459 10.3583 10.3583 10.4339 10.4339 11.4265 11.4265 11.5578 11.5578 k =-0.0180 0.0134 0.0224 ( 3549 PWs) bands (ev): -16.9249 -16.9249 -16.6029 -16.6029 -12.5619 -12.5619 -12.5615 -12.5615 -1.6276 -1.6276 -1.6159 -1.6159 -1.3003 -1.3003 -1.2696 -1.2696 -0.8588 -0.8588 -0.1631 -0.1631 0.8582 0.8582 0.8813 0.8813 3.0443 3.0443 3.3051 3.3051 3.6506 3.6506 3.9375 3.9375 4.0350 4.0350 4.0454 4.0454 4.3407 4.3407 4.4813 4.4813 4.5405 4.5405 4.5999 4.5999 4.7865 4.7865 4.8050 4.8050 4.9067 4.9067 6.4393 6.4393 8.7504 8.7504 10.3528 10.3528 10.4222 10.4222 11.4330 11.4330 11.5697 11.5697 k =-0.0090 0.0067 0.0112 ( 3545 PWs) bands (ev): -16.9252 -16.9252 -16.6027 -16.6027 -12.5618 -12.5618 -12.5615 -12.5615 -1.6169 -1.6169 -1.6153 -1.6153 -1.2943 -1.2943 -1.2828 -1.2828 -0.8693 -0.8693 -0.1631 -0.1631 0.8608 0.8608 0.8840 0.8840 3.0443 3.0443 3.3038 3.3038 3.6625 3.6625 3.9631 3.9631 4.0201 4.0201 4.0437 4.0437 4.3336 4.3336 4.4944 4.4944 4.5264 4.5264 4.5991 4.5991 4.7811 4.7811 4.8051 4.8051 4.8956 4.8956 6.4479 6.4479 8.7532 8.7532 10.3482 10.3482 10.4162 10.4162 11.4370 11.4370 11.5760 11.5760 k = 0.0000 0.0000 0.0000 ( 3537 PWs) bands (ev): -16.9253 -16.9253 -16.6026 -16.6026 -12.5618 -12.5618 -12.5614 -12.5614 -1.6152 -1.6152 -1.6132 -1.6132 -1.2942 -1.2942 -1.2854 -1.2854 -0.8728 -0.8728 -0.1631 -0.1631 0.8616 0.8616 0.8849 0.8849 3.0443 3.0443 3.3033 3.3033 3.6666 3.6666 3.9804 3.9804 4.0037 4.0037 4.0460 4.0460 4.3311 4.3311 4.5036 4.5036 4.5169 4.5169 4.5990 4.5990 4.7791 4.7791 4.8053 4.8053 4.8919 4.8919 6.4508 6.4508 8.7542 8.7542 10.3465 10.3465 10.4144 10.4144 11.4383 11.4383 11.5780 11.5780 k = 0.0000 0.0000 0.0000 ( 3537 PWs) bands (ev): -16.9253 -16.9253 -16.6026 -16.6026 -12.5618 -12.5618 -12.5614 -12.5614 -1.6152 -1.6152 -1.6132 -1.6132 -1.2942 -1.2942 -1.2854 -1.2854 -0.8728 -0.8728 -0.1631 -0.1631 0.8616 0.8616 0.8849 0.8849 3.0443 3.0443 3.3033 3.3033 3.6666 3.6666 3.9804 3.9804 4.0037 4.0037 4.0460 4.0460 4.3311 4.3311 4.5036 4.5036 4.5169 4.5169 4.5990 4.5990 4.7791 4.7791 4.8053 4.8053 4.8919 4.8919 6.4508 6.4508 8.7542 8.7542 10.3465 10.3465 10.4144 10.4144 11.4383 11.4383 11.5780 11.5780 k = 0.0094 0.0127-0.0000 ( 3537 PWs) bands (ev): -16.9251 -16.9251 -16.6028 -16.6028 -12.5618 -12.5618 -12.5615 -12.5615 -1.6140 -1.6140 -1.6127 -1.6127 -1.2943 -1.2943 -1.2855 -1.2855 -0.8724 -0.8724 -0.1647 -0.1647 0.8617 0.8617 0.8849 0.8849 3.0455 3.0455 3.3037 3.3037 3.6647 3.6647 3.9788 3.9788 4.0018 4.0018 4.0471 4.0471 4.3315 4.3315 4.4992 4.4992 4.5203 4.5203 4.5995 4.5995 4.7762 4.7762 4.8096 4.8096 4.8919 4.8919 6.4504 6.4504 8.7541 8.7541 10.3476 10.3476 10.4155 10.4155 11.4391 11.4391 11.5773 11.5773 k = 0.0189 0.0254-0.0000 ( 3545 PWs) bands (ev): -16.9246 -16.9246 -16.6033 -16.6033 -12.5618 -12.5618 -12.5615 -12.5615 -1.6115 -1.6115 -1.6106 -1.6106 -1.2947 -1.2947 -1.2859 -1.2859 -0.8710 -0.8710 -0.1695 -0.1695 0.8617 0.8617 0.8849 0.8849 3.0492 3.0492 3.3048 3.3048 3.6590 3.6590 3.9743 3.9743 3.9966 3.9966 4.0498 4.0498 4.3325 4.3325 4.4906 4.4906 4.5258 4.5258 4.6012 4.6012 4.7702 4.7702 4.8196 4.8196 4.8921 4.8921 6.4494 6.4494 8.7536 8.7536 10.3509 10.3509 10.4188 10.4188 11.4415 11.4415 11.5754 11.5754 k = 0.0283 0.0381-0.0000 ( 3581 PWs) bands (ev): -16.9236 -16.9236 -16.6043 -16.6043 -12.5620 -12.5620 -12.5616 -12.5616 -1.6095 -1.6095 -1.6050 -1.6050 -1.2954 -1.2954 -1.2866 -1.2866 -0.8687 -0.8687 -0.1776 -0.1776 0.8616 0.8616 0.8849 0.8849 3.0552 3.0552 3.3066 3.3066 3.6495 3.6495 3.9671 3.9671 3.9890 3.9890 4.0532 4.0532 4.3337 4.3337 4.4804 4.4804 4.5309 4.5309 4.6039 4.6039 4.7634 4.7634 4.8329 4.8329 4.8923 4.8923 6.4478 6.4478 8.7528 8.7528 10.3565 10.3565 10.4243 10.4243 11.4455 11.4455 11.5720 11.5720 k = 0.0377 0.0508-0.0000 ( 3581 PWs) bands (ev): -16.9222 -16.9222 -16.6056 -16.6056 -12.5621 -12.5621 -12.5618 -12.5618 -1.6066 -1.6066 -1.5971 -1.5971 -1.2963 -1.2963 -1.2875 -1.2875 -0.8655 -0.8655 -0.1887 -0.1887 0.8617 0.8617 0.8849 0.8849 3.0638 3.0638 3.3091 3.3091 3.6363 3.6363 3.9576 3.9576 3.9801 3.9801 4.0566 4.0566 4.3352 4.3352 4.4692 4.4692 4.5353 4.5353 4.6072 4.6072 4.7565 4.7565 4.8488 4.8488 4.8934 4.8934 6.4454 6.4454 8.7517 8.7517 10.3642 10.3642 10.4319 10.4319 11.4512 11.4512 11.5675 11.5675 k = 0.0472 0.0636-0.0000 ( 3589 PWs) bands (ev): -16.9205 -16.9205 -16.6073 -16.6073 -12.5623 -12.5623 -12.5620 -12.5620 -1.6030 -1.6030 -1.5870 -1.5870 -1.2975 -1.2975 -1.2886 -1.2886 -0.8613 -0.8613 -0.2028 -0.2028 0.8617 0.8617 0.8849 0.8849 3.0746 3.0746 3.3123 3.3123 3.6194 3.6194 3.9462 3.9462 3.9702 3.9702 4.0597 4.0597 4.3361 4.3361 4.4572 4.4572 4.5387 4.5387 4.6109 4.6109 4.7493 4.7493 4.8670 4.8670 4.8955 4.8955 6.4425 6.4425 8.7502 8.7502 10.3742 10.3742 10.4417 10.4417 11.4585 11.4585 11.5617 11.5617 k = 0.0566 0.0763-0.0000 ( 3581 PWs) bands (ev): -16.9183 -16.9183 -16.6093 -16.6093 -12.5625 -12.5625 -12.5622 -12.5622 -1.5987 -1.5987 -1.5746 -1.5746 -1.2988 -1.2988 -1.2900 -1.2900 -0.8563 -0.8563 -0.2199 -0.2199 0.8618 0.8618 0.8849 0.8849 3.0879 3.0879 3.3163 3.3163 3.5990 3.5990 3.9334 3.9334 3.9595 3.9595 4.0623 4.0623 4.3363 4.3363 4.4445 4.4445 4.5414 4.5414 4.6145 4.6145 4.7420 4.7420 4.8874 4.8874 4.8991 4.8991 6.4388 6.4388 8.7483 8.7483 10.3862 10.3862 10.4536 10.4536 11.4676 11.4676 11.5547 11.5547 k = 0.0660 0.0890-0.0000 ( 3581 PWs) bands (ev): -16.9158 -16.9158 -16.6117 -16.6117 -12.5628 -12.5628 -12.5625 -12.5625 -1.5936 -1.5936 -1.5601 -1.5601 -1.3005 -1.3005 -1.2916 -1.2916 -0.8504 -0.8504 -0.2397 -0.2397 0.8618 0.8618 0.8849 0.8849 3.1033 3.1033 3.3209 3.3209 3.5752 3.5752 3.9195 3.9195 3.9484 3.9484 4.0643 4.0643 4.3354 4.3354 4.4313 4.4313 4.5431 4.5431 4.6171 4.6171 4.7343 4.7343 4.9048 4.9048 4.9097 4.9097 6.4346 6.4346 8.7459 8.7459 10.4004 10.4004 10.4676 10.4676 11.4784 11.4784 11.5466 11.5466 k = 0.0755 0.1017-0.0000 ( 3573 PWs) bands (ev): -16.9130 -16.9130 -16.6144 -16.6144 -12.5631 -12.5631 -12.5628 -12.5628 -1.5880 -1.5880 -1.5433 -1.5433 -1.3023 -1.3023 -1.2934 -1.2934 -0.8436 -0.8436 -0.2621 -0.2621 0.8619 0.8619 0.8849 0.8849 3.1208 3.1208 3.3262 3.3262 3.5481 3.5481 3.9049 3.9049 3.9371 3.9371 4.0656 4.0656 4.3333 4.3333 4.4176 4.4176 4.5441 4.5441 4.6183 4.6183 4.7261 4.7261 4.9133 4.9133 4.9339 4.9339 6.4296 6.4296 8.7430 8.7430 10.4165 10.4165 10.4835 10.4835 11.4907 11.4907 11.5374 11.5374 k = 0.0849 0.1144-0.0000 ( 3593 PWs) bands (ev): -16.9098 -16.9098 -16.6175 -16.6175 -12.5635 -12.5635 -12.5631 -12.5631 -1.5818 -1.5818 -1.5246 -1.5246 -1.3044 -1.3044 -1.2954 -1.2954 -0.8359 -0.8359 -0.2870 -0.2870 0.8619 0.8619 0.8848 0.8848 3.1403 3.1403 3.3319 3.3319 3.5178 3.5178 3.8898 3.8898 3.9256 3.9256 4.0663 4.0663 4.3298 4.3298 4.4034 4.4034 4.5442 4.5442 4.6173 4.6173 4.7174 4.7174 4.9247 4.9247 4.9597 4.9597 6.4241 6.4241 8.7395 8.7395 10.4346 10.4346 10.5014 10.5014 11.5048 11.5048 11.5270 11.5270 k = 0.0943 0.1271-0.0000 ( 3585 PWs) bands (ev): -16.9062 -16.9062 -16.6208 -16.6208 -12.5639 -12.5639 -12.5635 -12.5635 -1.5751 -1.5751 -1.5037 -1.5037 -1.3066 -1.3066 -1.2976 -1.2976 -0.8275 -0.8275 -0.3140 -0.3140 0.8620 0.8620 0.8848 0.8848 3.1619 3.1619 3.3385 3.3385 3.4846 3.4846 3.8748 3.8748 3.9142 3.9142 4.0664 4.0664 4.3251 4.3251 4.3889 4.3889 4.5435 4.5435 4.6139 4.6139 4.7083 4.7083 4.9393 4.9393 4.9868 4.9868 6.4179 6.4179 8.7354 8.7354 10.4546 10.4546 10.5211 10.5211 11.5156 11.5156 11.5207 11.5207 k = 0.1038 0.1398-0.0000 ( 3577 PWs) bands (ev): -16.9023 -16.9023 -16.6245 -16.6245 -12.5643 -12.5643 -12.5639 -12.5639 -1.5680 -1.5680 -1.4809 -1.4809 -1.3091 -1.3091 -1.3000 -1.3000 -0.8181 -0.8181 -0.3430 -0.3430 0.8620 0.8620 0.8847 0.8847 3.1853 3.1853 3.3456 3.3456 3.4486 3.4486 3.8599 3.8599 3.9030 3.9030 4.0660 4.0660 4.3192 4.3192 4.3740 4.3740 4.5420 4.5420 4.6079 4.6079 4.6988 4.6988 4.9572 4.9572 5.0152 5.0152 6.4111 6.4111 8.7308 8.7308 10.4764 10.4764 10.5425 10.5425 11.5033 11.5033 11.5383 11.5383 k = 0.1132 0.1525-0.0000 ( 3585 PWs) bands (ev): -16.8981 -16.8981 -16.6285 -16.6285 -12.5647 -12.5647 -12.5644 -12.5644 -1.5606 -1.5606 -1.4561 -1.4561 -1.3117 -1.3117 -1.3026 -1.3026 -0.8080 -0.8080 -0.3738 -0.3738 0.8619 0.8619 0.8846 0.8846 3.2104 3.2104 3.3532 3.3532 3.4100 3.4100 3.8453 3.8453 3.8920 3.8920 4.0650 4.0650 4.3121 4.3121 4.3588 4.3588 4.5397 4.5397 4.5992 4.5992 4.6888 4.6888 4.9781 4.9781 5.0447 5.0447 6.4037 6.4037 8.7254 8.7254 10.4999 10.4999 10.5655 10.5655 11.4901 11.4901 11.5575 11.5575 k = 0.1226 0.1653-0.0000 ( 3573 PWs) bands (ev): -16.8935 -16.8935 -16.6327 -16.6327 -12.5652 -12.5652 -12.5648 -12.5648 -1.5530 -1.5530 -1.4295 -1.4295 -1.3144 -1.3144 -1.3053 -1.3053 -0.7972 -0.7972 -0.4059 -0.4059 0.8619 0.8619 0.8844 0.8844 3.2370 3.2370 3.3612 3.3612 3.3690 3.3690 3.8312 3.8312 3.8815 3.8815 4.0636 4.0636 4.3041 4.3041 4.3434 4.3434 4.5367 4.5367 4.5883 4.5883 4.6784 4.6784 5.0016 5.0016 5.0750 5.0750 6.3957 6.3957 8.7194 8.7194 10.5250 10.5250 10.5902 10.5902 11.4761 11.4761 11.5783 11.5783 k = 0.1321 0.1780-0.0000 ( 3573 PWs) bands (ev): -16.8887 -16.8887 -16.6372 -16.6372 -12.5658 -12.5658 -12.5653 -12.5653 -1.5454 -1.5454 -1.4011 -1.4011 -1.3174 -1.3174 -1.3081 -1.3081 -0.7855 -0.7855 -0.4393 -0.4393 0.8617 0.8617 0.8842 0.8842 3.2646 3.2646 3.3259 3.3259 3.3698 3.3698 3.8178 3.8178 3.8715 3.8715 4.0616 4.0616 4.2952 4.2952 4.3277 4.3277 4.5328 4.5328 4.5752 4.5752 4.6677 4.6677 5.0274 5.0274 5.1060 5.1060 6.3871 6.3871 8.7128 8.7128 10.5516 10.5516 10.6163 10.6163 11.4614 11.4614 11.5769 11.5769 k = 0.1415 0.1907-0.0000 ( 3581 PWs) bands (ev): -16.8836 -16.8836 -16.6420 -16.6420 -12.5663 -12.5663 -12.5659 -12.5659 -1.5380 -1.5380 -1.3709 -1.3709 -1.3205 -1.3205 -1.3111 -1.3111 -0.7732 -0.7732 -0.4736 -0.4736 0.8616 0.8616 0.8839 0.8839 3.2782 3.2782 3.2958 3.2958 3.3786 3.3786 3.8052 3.8052 3.8620 3.8620 4.0592 4.0592 4.2855 4.2855 4.3119 4.3119 4.5280 4.5280 4.5604 4.5604 4.6566 4.6566 5.0549 5.0549 5.1376 5.1376 6.3779 6.3779 8.7055 8.7055 10.5796 10.5796 10.6437 10.6437 11.4459 11.4459 11.5759 11.5759 k = 0.1509 0.2034-0.0000 ( 3589 PWs) bands (ev): -16.8783 -16.8783 -16.6470 -16.6470 -12.5669 -12.5669 -12.5665 -12.5665 -1.5309 -1.5309 -1.3392 -1.3392 -1.3236 -1.3236 -1.3142 -1.3142 -0.7602 -0.7602 -0.5083 -0.5083 0.8614 0.8614 0.8835 0.8835 3.2325 3.2325 3.3241 3.3241 3.3879 3.3879 3.7936 3.7936 3.8533 3.8533 4.0564 4.0564 4.2752 4.2752 4.2959 4.2959 4.5224 4.5224 4.5441 4.5441 4.6454 4.6454 5.0839 5.0839 5.1695 5.1695 6.3682 6.3682 8.6976 8.6976 10.6089 10.6089 10.6724 10.6724 11.4298 11.4298 11.5766 11.5766 k = 0.1604 0.2161-0.0000 ( 3588 PWs) bands (ev): -16.8727 -16.8727 -16.6522 -16.6522 -12.5675 -12.5675 -12.5671 -12.5671 -1.5243 -1.5243 -1.3269 -1.3269 -1.3178 -1.3178 -1.3054 -1.3054 -0.7465 -0.7465 -0.5432 -0.5432 0.8611 0.8611 0.8831 0.8831 3.1838 3.1838 3.3543 3.3543 3.3974 3.3974 3.7833 3.7833 3.8453 3.8453 4.0532 4.0532 4.2646 4.2646 4.2799 4.2799 4.5160 4.5160 4.5266 4.5266 4.6339 4.6339 5.1139 5.1139 5.2017 5.2017 6.3580 6.3580 8.6893 8.6893 10.6394 10.6394 10.7022 10.7022 11.4132 11.4132 11.5789 11.5789 k = 0.1698 0.2288-0.0000 ( 3580 PWs) bands (ev): -16.8669 -16.8669 -16.6575 -16.6575 -12.5681 -12.5681 -12.5677 -12.5677 -1.5185 -1.5185 -1.3303 -1.3303 -1.3209 -1.3209 -1.2707 -1.2707 -0.7322 -0.7322 -0.5780 -0.5780 0.8607 0.8607 0.8827 0.8827 3.1336 3.1336 3.3846 3.3846 3.4072 3.4072 3.7743 3.7743 3.8382 3.8382 4.0497 4.0497 4.2537 4.2537 4.2638 4.2638 4.5081 4.5081 4.5087 4.5087 4.6224 4.6224 5.1448 5.1448 5.2341 5.2341 6.3472 6.3472 8.6804 8.6804 10.6710 10.6710 10.7330 10.7330 11.3962 11.3962 11.5827 11.5827 k = 0.1792 0.2415-0.0000 ( 3580 PWs) bands (ev): -16.8609 -16.8609 -16.6631 -16.6631 -12.5688 -12.5688 -12.5683 -12.5683 -1.5137 -1.5137 -1.3337 -1.3337 -1.3242 -1.3242 -1.2345 -1.2345 -0.7174 -0.7174 -0.6120 -0.6120 0.8603 0.8603 0.8822 0.8822 3.0821 3.0821 3.4147 3.4147 3.4170 3.4170 3.7670 3.7670 3.8319 3.8319 4.0458 4.0458 4.2428 4.2428 4.2478 4.2478 4.4890 4.4890 4.5007 4.5007 4.6107 4.6107 5.1762 5.1762 5.2664 5.2664 6.3359 6.3359 8.6712 8.6712 10.7035 10.7035 10.7647 10.7647 11.3788 11.3788 11.5882 11.5882 k = 0.1887 0.2542-0.0000 ( 3580 PWs) bands (ev): -16.8546 -16.8546 -16.6688 -16.6688 -12.5695 -12.5695 -12.5690 -12.5690 -1.5103 -1.5103 -1.3372 -1.3372 -1.3276 -1.3276 -1.1971 -1.1971 -0.7020 -0.7020 -0.6450 -0.6450 0.8598 0.8598 0.8815 0.8815 3.0297 3.0297 3.4270 3.4270 3.4440 3.4440 3.7617 3.7617 3.8266 3.8266 4.0415 4.0415 4.2319 4.2319 4.2319 4.2319 4.4694 4.4694 4.4919 4.4919 4.5990 4.5990 5.2078 5.2078 5.2985 5.2985 6.3242 6.3242 8.6617 8.6617 10.7368 10.7368 10.7971 10.7971 11.3611 11.3611 11.5951 11.5951 k = 0.1981 0.2670-0.0000 ( 3564 PWs) bands (ev): -16.8483 -16.8483 -16.6746 -16.6746 -12.5701 -12.5701 -12.5696 -12.5696 -1.5085 -1.5085 -1.3407 -1.3407 -1.3311 -1.3311 -1.1584 -1.1584 -0.6861 -0.6861 -0.6765 -0.6765 0.8592 0.8592 0.8809 0.8809 2.9765 2.9765 3.4370 3.4370 3.4718 3.4718 3.7587 3.7587 3.8224 3.8224 4.0370 4.0370 4.2163 4.2163 4.2215 4.2215 4.4496 4.4496 4.4824 4.4824 4.5873 4.5873 5.2395 5.2395 5.3304 5.3304 6.3120 6.3120 8.6521 8.6521 10.7708 10.7708 10.8301 10.8301 11.3432 11.3432 11.6035 11.6035 k = 0.2075 0.2797-0.0000 ( 3564 PWs) bands (ev): -16.8417 -16.8417 -16.6805 -16.6805 -12.5709 -12.5709 -12.5703 -12.5703 -1.5088 -1.5088 -1.3442 -1.3442 -1.3345 -1.3345 -1.1187 -1.1187 -0.7059 -0.7059 -0.6697 -0.6697 0.8586 0.8586 0.8801 0.8801 2.9227 2.9227 3.4468 3.4468 3.4972 3.4972 3.7584 3.7584 3.8192 3.8192 4.0320 4.0320 4.2009 4.2009 4.2116 4.2116 4.4297 4.4297 4.4721 4.4721 4.5756 4.5756 5.2710 5.2710 5.3619 5.3619 6.2994 6.2994 8.6425 8.6425 10.8053 10.8053 10.8636 10.8636 11.3252 11.3252 11.6133 11.6133 k = 0.2170 0.2924-0.0000 ( 3568 PWs) bands (ev): -16.8351 -16.8351 -16.6865 -16.6865 -12.5716 -12.5716 -12.5710 -12.5710 -1.5114 -1.5114 -1.3478 -1.3478 -1.3380 -1.3380 -1.0780 -1.0780 -0.7330 -0.7330 -0.6529 -0.6529 0.8578 0.8578 0.8792 0.8792 2.8685 2.8685 3.4565 3.4565 3.5196 3.5196 3.7611 3.7611 3.8170 3.8170 4.0266 4.0266 4.1858 4.1858 4.2025 4.2025 4.4101 4.4101 4.4612 4.4612 4.5638 4.5638 5.3022 5.3022 5.3929 5.3929 6.2864 6.2864 8.6329 8.6329 10.8402 10.8402 10.8975 10.8975 11.3071 11.3071 11.6244 11.6244 k = 0.2264 0.3051-0.0000 ( 3568 PWs) bands (ev): -16.8284 -16.8284 -16.6926 -16.6926 -12.5723 -12.5723 -12.5718 -12.5718 -1.5167 -1.5167 -1.3513 -1.3513 -1.3415 -1.3415 -1.0366 -1.0366 -0.7572 -0.7572 -0.6358 -0.6358 0.8570 0.8570 0.8783 0.8783 2.8141 2.8141 3.4659 3.4659 3.5384 3.5384 3.7670 3.7670 3.8159 3.8159 4.0208 4.0208 4.1713 4.1713 4.1945 4.1945 4.3908 4.3908 4.4498 4.4498 4.5521 4.5521 5.3330 5.3330 5.4233 5.4233 6.2730 6.2730 8.6236 8.6236 10.8754 10.8754 10.9315 10.9315 11.2890 11.2890 11.6366 11.6366 k = 0.2358 0.3178-0.0000 ( 3564 PWs) bands (ev): -16.8216 -16.8216 -16.6987 -16.6987 -12.5730 -12.5730 -12.5725 -12.5725 -1.5248 -1.5248 -1.3548 -1.3548 -1.3449 -1.3449 -0.9945 -0.9945 -0.7782 -0.7782 -0.6184 -0.6184 0.8561 0.8561 0.8773 0.8773 2.7598 2.7598 3.4751 3.4751 3.5533 3.5533 3.7757 3.7757 3.8159 3.8159 4.0146 4.0146 4.1576 4.1576 4.1881 4.1881 4.3722 4.3722 4.4379 4.4379 4.5403 4.5403 5.3632 5.3632 5.4529 5.4529 6.2594 6.2594 8.6148 8.6148 10.9107 10.9107 10.9656 10.9656 11.2710 11.2710 11.6499 11.6499 k = 0.2453 0.3305-0.0000 ( 3564 PWs) bands (ev): -16.8147 -16.8147 -16.7048 -16.7048 -12.5738 -12.5738 -12.5732 -12.5732 -1.5359 -1.5359 -1.3583 -1.3583 -1.3483 -1.3483 -0.9519 -0.9519 -0.7958 -0.7958 -0.6007 -0.6007 0.8551 0.8551 0.8762 0.8762 2.7056 2.7056 3.4839 3.4839 3.5644 3.5644 3.7864 3.7864 3.8169 3.8169 4.0078 4.0078 4.1445 4.1445 4.1834 4.1834 4.3547 4.3547 4.4255 4.4255 4.5286 4.5286 5.3928 5.3928 5.4818 5.4818 6.2454 6.2454 8.6064 8.6064 10.9460 10.9460 10.9996 10.9996 11.2531 11.2531 11.6640 11.6640 k = 0.2547 0.3432-0.0000 ( 3564 PWs) bands (ev): -16.8078 -16.8078 -16.7110 -16.7110 -12.5745 -12.5745 -12.5739 -12.5739 -1.5500 -1.5500 -1.3617 -1.3617 -1.3517 -1.3517 -0.9088 -0.9088 -0.8098 -0.8098 -0.5828 -0.5828 0.8540 0.8540 0.8750 0.8750 2.6519 2.6519 3.4922 3.4922 3.5723 3.5723 3.7979 3.7979 3.8189 3.8189 4.0005 4.0005 4.1324 4.1324 4.1806 4.1806 4.3387 4.3387 4.4128 4.4128 4.5169 4.5169 5.4216 5.4216 5.5099 5.5099 6.2312 6.2312 8.5988 8.5988 10.9810 10.9810 11.0334 11.0334 11.2355 11.2355 11.6790 11.6790 k = 0.2642 0.3559-0.0000 ( 3564 PWs) bands (ev): -16.8009 -16.8009 -16.7171 -16.7171 -12.5753 -12.5753 -12.5746 -12.5746 -1.5672 -1.5672 -1.3651 -1.3651 -1.3550 -1.3550 -0.8655 -0.8655 -0.8203 -0.8203 -0.5647 -0.5647 0.8529 0.8529 0.8738 0.8738 2.5988 2.5988 3.5001 3.5001 3.5777 3.5777 3.8089 3.8089 3.8216 3.8216 3.9928 3.9928 4.1215 4.1215 4.1794 4.1794 4.3251 4.3251 4.3999 4.3999 4.5051 4.5051 5.4495 5.4495 5.5371 5.5371 6.2167 6.2167 8.5920 8.5920 11.0158 11.0158 11.0668 11.0668 11.2182 11.2182 11.6946 11.6946 k = 0.2736 0.3687-0.0000 ( 3556 PWs) bands (ev): -16.7940 -16.7940 -16.7231 -16.7231 -12.5760 -12.5760 -12.5754 -12.5754 -1.5870 -1.5870 -1.3684 -1.3684 -1.3582 -1.3582 -0.8274 -0.8274 -0.8222 -0.8222 -0.5465 -0.5465 0.8516 0.8516 0.8725 0.8725 2.5464 2.5464 3.5075 3.5075 3.5814 3.5814 3.8182 3.8182 3.8251 3.8251 3.9846 3.9846 4.1117 4.1117 4.1794 4.1794 4.3148 4.3148 4.3867 4.3867 4.4934 4.4934 5.4765 5.4765 5.5633 5.5633 6.2022 6.2022 8.5861 8.5861 11.0502 11.0502 11.0997 11.0997 11.2014 11.2014 11.7108 11.7108 k = 0.2830 0.3814-0.0000 ( 3564 PWs) bands (ev): -16.7872 -16.7872 -16.7291 -16.7291 -12.5767 -12.5767 -12.5761 -12.5761 -1.6092 -1.6092 -1.3716 -1.3716 -1.3614 -1.3614 -0.8314 -0.8314 -0.7789 -0.7789 -0.5283 -0.5283 0.8503 0.8503 0.8712 0.8712 2.4949 2.4949 3.5144 3.5144 3.5837 3.5837 3.8250 3.8250 3.8288 3.8288 3.9761 3.9761 4.1032 4.1032 4.1791 4.1791 4.3094 4.3094 4.3733 4.3733 4.4817 4.4817 5.5025 5.5025 5.5885 5.5885 6.1875 6.1875 8.5814 8.5814 11.0839 11.0839 11.1318 11.1318 11.1851 11.1851 11.7274 11.7274 k = 0.2925 0.3941-0.0000 ( 3564 PWs) bands (ev): -16.7804 -16.7804 -16.7350 -16.7350 -12.5775 -12.5775 -12.5768 -12.5768 -1.6335 -1.6335 -1.3747 -1.3747 -1.3645 -1.3645 -0.8325 -0.8325 -0.7359 -0.7359 -0.5100 -0.5100 0.8490 0.8490 0.8698 0.8698 2.4446 2.4446 3.5208 3.5208 3.5853 3.5853 3.8289 3.8289 3.8327 3.8327 3.9678 3.9678 4.0960 4.0960 4.1770 4.1770 4.3101 4.3101 4.3599 4.3599 4.4701 4.4701 5.5274 5.5274 5.6125 5.6125 6.1728 6.1728 8.5778 8.5778 11.1169 11.1169 11.1595 11.1595 11.1728 11.1728 11.7442 11.7442 k = 0.3019 0.4068-0.0000 ( 3568 PWs) bands (ev): -16.7738 -16.7738 -16.7408 -16.7408 -12.5782 -12.5782 -12.5775 -12.5775 -1.6594 -1.6594 -1.3778 -1.3778 -1.3675 -1.3675 -0.8311 -0.8311 -0.6934 -0.6934 -0.4917 -0.4917 0.8476 0.8476 0.8683 0.8683 2.3954 2.3954 3.5268 3.5268 3.5865 3.5865 3.8299 3.8299 3.8360 3.8360 3.9599 3.9599 4.0900 4.0900 4.1720 4.1720 4.3178 4.3178 4.3464 4.3464 4.4586 4.4586 5.5512 5.5512 5.6355 5.6355 6.1580 6.1580 8.5755 8.5755 11.1490 11.1490 11.1515 11.1515 11.1960 11.1960 11.7613 11.7613 k = 0.3113 0.4195-0.0000 ( 3572 PWs) bands (ev): -16.7672 -16.7672 -16.7465 -16.7465 -12.5789 -12.5789 -12.5782 -12.5782 -1.6865 -1.6865 -1.3807 -1.3807 -1.3703 -1.3703 -0.8276 -0.8276 -0.6515 -0.6515 -0.4734 -0.4734 0.8462 0.8462 0.8668 0.8668 2.3476 2.3476 3.5325 3.5325 3.5873 3.5873 3.8283 3.8283 3.8383 3.8383 3.9532 3.9532 4.0854 4.0854 4.1642 4.1642 4.3315 4.3315 4.3329 4.3329 4.4471 4.4471 5.5738 5.5738 5.6572 5.6572 6.1434 6.1434 8.5746 8.5746 11.1367 11.1367 11.1802 11.1802 11.2254 11.2254 11.7783 11.7783 k = 0.3208 0.4322-0.0000 ( 3564 PWs) bands (ev): -16.7608 -16.7608 -16.7520 -16.7520 -12.5796 -12.5796 -12.5789 -12.5789 -1.7143 -1.7143 -1.3835 -1.3835 -1.3731 -1.3731 -0.8224 -0.8224 -0.6104 -0.6104 -0.4552 -0.4552 0.8447 0.8447 0.8653 0.8653 2.3013 2.3013 3.5378 3.5378 3.5882 3.5882 3.8245 3.8245 3.8389 3.8389 3.9483 3.9483 4.0821 4.0821 4.1544 4.1544 4.3195 4.3195 4.3500 4.3500 4.4358 4.4358 5.5953 5.5953 5.6779 5.6779 6.1288 6.1288 8.5750 8.5750 11.1223 11.1223 11.2103 11.2103 11.2541 11.2541 11.7953 11.7953 k = 0.3302 0.4449-0.0000 ( 3564 PWs) bands (ev): -16.7574 -16.7574 -16.7545 -16.7545 -12.5803 -12.5803 -12.5795 -12.5795 -1.7425 -1.7425 -1.3862 -1.3862 -1.3757 -1.3757 -0.8157 -0.8157 -0.5706 -0.5706 -0.4370 -0.4370 0.8432 0.8432 0.8638 0.8638 2.2567 2.2567 3.5428 3.5428 3.5890 3.5890 3.8190 3.8190 3.8370 3.8370 3.9458 3.9458 4.0799 4.0799 4.1435 4.1435 4.3062 4.3062 4.3717 4.3717 4.4247 4.4247 5.6155 5.6155 5.6973 5.6973 6.1145 6.1145 8.5768 8.5768 11.1084 11.1084 11.2392 11.2392 11.2817 11.2817 11.8121 11.8121 k = 0.3396 0.4576-0.0000 ( 3564 PWs) bands (ev): -16.7626 -16.7626 -16.7485 -16.7485 -12.5809 -12.5809 -12.5802 -12.5802 -1.7708 -1.7708 -1.3888 -1.3888 -1.3783 -1.3783 -0.8080 -0.8080 -0.5324 -0.5324 -0.4186 -0.4186 0.8417 0.8417 0.8623 0.8623 2.2138 2.2138 3.5476 3.5476 3.5899 3.5899 3.8121 3.8121 3.8324 3.8324 3.9459 3.9459 4.0788 4.0788 4.1320 4.1320 4.2930 4.2930 4.3954 4.3954 4.4137 4.4137 5.6346 5.6346 5.7154 5.7154 6.1004 6.1004 8.5801 8.5801 11.0951 11.0951 11.2669 11.2669 11.3082 11.3082 11.8286 11.8286 k = 0.3491 0.4703-0.0000 ( 3560 PWs) bands (ev): -16.7676 -16.7676 -16.7426 -16.7426 -12.5815 -12.5815 -12.5808 -12.5808 -1.7987 -1.7987 -1.3912 -1.3912 -1.3807 -1.3807 -0.7995 -0.7995 -0.4961 -0.4961 -0.3998 -0.3998 0.8402 0.8402 0.8608 0.8608 2.1728 2.1728 3.5522 3.5522 3.5910 3.5910 3.8044 3.8044 3.8253 3.8253 3.9484 3.9484 4.0788 4.0788 4.1204 4.1204 4.2801 4.2801 4.4028 4.4028 4.4203 4.4203 5.6525 5.6525 5.7324 5.7324 6.0867 6.0867 8.5848 8.5848 11.0825 11.0825 11.2932 11.2932 11.3333 11.3333 11.8447 11.8447 k = 0.3585 0.4831-0.0000 ( 3564 PWs) bands (ev): -16.7724 -16.7724 -16.7370 -16.7370 -12.5821 -12.5821 -12.5814 -12.5814 -1.8261 -1.8261 -1.3936 -1.3936 -1.3829 -1.3829 -0.7905 -0.7905 -0.4623 -0.4623 -0.3803 -0.3803 0.8388 0.8388 0.8593 0.8593 2.1337 2.1337 3.5567 3.5567 3.5921 3.5921 3.7960 3.7960 3.8162 3.8162 3.9527 3.9527 4.0797 4.0797 4.1090 4.1090 4.2675 4.2675 4.3922 4.3922 4.4453 4.4453 5.6691 5.6691 5.7481 5.7481 6.0734 6.0734 8.5907 8.5907 11.0706 11.0706 11.3180 11.3180 11.3571 11.3571 11.8603 11.8603 k = 0.3679 0.4958-0.0000 ( 3560 PWs) bands (ev): -16.7769 -16.7769 -16.7317 -16.7317 -12.5827 -12.5827 -12.5819 -12.5819 -1.8527 -1.8527 -1.3957 -1.3957 -1.3851 -1.3851 -0.7811 -0.7811 -0.4320 -0.4320 -0.3596 -0.3596 0.8373 0.8373 0.8578 0.8578 2.0968 2.0968 3.5612 3.5612 3.5935 3.5935 3.7872 3.7872 3.8058 3.8058 3.9583 3.9583 4.0815 4.0815 4.0979 4.0979 4.2553 4.2553 4.3819 4.3819 4.4701 4.4701 5.6846 5.6846 5.7626 5.7626 6.0606 6.0606 8.5978 8.5978 11.0594 11.0594 11.3414 11.3414 11.3795 11.3795 11.8753 11.8753 k = 0.3774 0.5085-0.0000 ( 3568 PWs) bands (ev): -16.7812 -16.7812 -16.7266 -16.7266 -12.5833 -12.5833 -12.5825 -12.5825 -1.8782 -1.8782 -1.3978 -1.3978 -1.3871 -1.3871 -0.7716 -0.7716 -0.4056 -0.4056 -0.3372 -0.3372 0.8359 0.8359 0.8564 0.8564 2.0619 2.0619 3.5656 3.5656 3.5949 3.5949 3.7783 3.7783 3.7944 3.7944 3.9646 3.9646 4.0841 4.0841 4.0874 4.0874 4.2435 4.2435 4.3717 4.3717 4.4942 4.4942 5.6988 5.6988 5.7758 5.7758 6.0483 6.0483 8.6060 8.6060 11.0490 11.0490 11.3632 11.3632 11.4004 11.4004 11.8896 11.8896 k = 0.3868 0.5212-0.0000 ( 3544 PWs) bands (ev): -16.7852 -16.7852 -16.7218 -16.7218 -12.5838 -12.5838 -12.5830 -12.5830 -1.9025 -1.9025 -1.3997 -1.3997 -1.3889 -1.3889 -0.7622 -0.7622 -0.3835 -0.3835 -0.3131 -0.3131 0.8345 0.8345 0.8550 0.8550 2.0294 2.0294 3.5702 3.5702 3.5965 3.5965 3.7696 3.7696 3.7825 3.7825 3.9715 3.9715 4.0774 4.0774 4.0872 4.0872 4.2325 4.2325 4.3620 4.3620 4.5173 4.5173 5.7119 5.7119 5.7879 5.7879 6.0367 6.0367 8.6150 8.6150 11.0394 11.0394 11.3835 11.3835 11.4198 11.4198 11.9032 11.9032 k = 0.3962 0.5339-0.0000 ( 3544 PWs) bands (ev): -16.7890 -16.7890 -16.7173 -16.7173 -12.5842 -12.5842 -12.5834 -12.5834 -1.9254 -1.9254 -1.4014 -1.4014 -1.3906 -1.3906 -0.7531 -0.7531 -0.3650 -0.3650 -0.2881 -0.2881 0.8332 0.8332 0.8537 0.8537 1.9992 1.9992 3.5747 3.5747 3.5982 3.5982 3.7610 3.7610 3.7703 3.7703 3.9784 3.9784 4.0681 4.0681 4.0906 4.0906 4.2223 4.2223 4.3524 4.3524 4.5392 4.5392 5.7238 5.7238 5.7987 5.7987 6.0258 6.0258 8.6247 8.6247 11.0304 11.0304 11.4022 11.4022 11.4377 11.4377 11.9160 11.9160 k = 0.4057 0.5466-0.0000 ( 3540 PWs) bands (ev): -16.7925 -16.7925 -16.7131 -16.7131 -12.5847 -12.5847 -12.5839 -12.5839 -1.9467 -1.9467 -1.4030 -1.4030 -1.3922 -1.3922 -0.7443 -0.7443 -0.3493 -0.3493 -0.2633 -0.2633 0.8320 0.8320 0.8524 0.8524 1.9713 1.9713 3.5794 3.5794 3.6000 3.6000 3.7528 3.7528 3.7580 3.7580 3.9855 3.9855 4.0594 4.0594 4.0938 4.0938 4.2132 4.2132 4.3431 4.3431 4.5595 4.5595 5.7346 5.7346 5.8083 5.8083 6.0158 6.0158 8.6348 8.6348 11.0223 11.0223 11.4192 11.4192 11.4541 11.4541 11.9279 11.9279 k = 0.4151 0.5593-0.0000 ( 3540 PWs) bands (ev): -16.7957 -16.7957 -16.7093 -16.7093 -12.5851 -12.5851 -12.5843 -12.5843 -1.9664 -1.9664 -1.4045 -1.4045 -1.3936 -1.3936 -0.7360 -0.7360 -0.3359 -0.3359 -0.2394 -0.2394 0.8309 0.8309 0.8513 0.8513 1.9459 1.9459 3.5843 3.5843 3.6017 3.6017 3.7450 3.7450 3.7458 3.7458 3.9925 3.9925 4.0514 4.0514 4.0964 4.0964 4.2055 4.2055 4.3341 4.3341 4.5783 4.5783 5.7443 5.7443 5.8167 5.8167 6.0066 6.0066 8.6451 8.6451 11.0149 11.0149 11.4346 11.4346 11.4688 11.4688 11.9388 11.9388 k = 0.4245 0.5720-0.0000 ( 3540 PWs) bands (ev): -16.7985 -16.7985 -16.7059 -16.7059 -12.5855 -12.5855 -12.5846 -12.5846 -1.9843 -1.9843 -1.4058 -1.4058 -1.3949 -1.3949 -0.7283 -0.7283 -0.3242 -0.3242 -0.2171 -0.2171 0.8298 0.8298 0.8502 0.8502 1.9231 1.9231 3.5894 3.5894 3.6035 3.6035 3.7338 3.7338 3.7377 3.7377 3.9996 3.9996 4.0442 4.0442 4.0979 4.0979 4.1996 4.1996 4.3255 4.3255 4.5952 4.5952 5.7528 5.7528 5.8240 5.8240 5.9984 5.9984 8.6553 8.6553 11.0084 11.0084 11.4484 11.4484 11.4821 11.4821 11.9488 11.9488 k = 0.4340 0.5848-0.0000 ( 3540 PWs) bands (ev): -16.8011 -16.8011 -16.7028 -16.7028 -12.5858 -12.5858 -12.5849 -12.5849 -2.0002 -2.0002 -1.4069 -1.4069 -1.3960 -1.3960 -0.7213 -0.7213 -0.3142 -0.3142 -0.1968 -0.1968 0.8289 0.8289 0.8493 0.8493 1.9028 1.9028 3.5946 3.5946 3.6052 3.6052 3.7221 3.7221 3.7311 3.7311 4.0066 4.0066 4.0378 4.0378 4.0979 4.0979 4.1958 4.1958 4.3173 4.3173 4.6104 4.6104 5.7603 5.7603 5.8302 5.8302 5.9911 5.9911 8.6652 8.6652 11.0026 11.0026 11.4605 11.4605 11.4937 11.4937 11.9577 11.9577 k = 0.4434 0.5975-0.0000 ( 3540 PWs) bands (ev): -16.8033 -16.8033 -16.7001 -16.7001 -12.5861 -12.5861 -12.5852 -12.5852 -2.0142 -2.0142 -1.4079 -1.4079 -1.3970 -1.3970 -0.7151 -0.7151 -0.3055 -0.3055 -0.1788 -0.1788 0.8280 0.8280 0.8484 0.8484 1.8851 1.8851 3.6002 3.6002 3.6069 3.6069 3.7109 3.7109 3.7251 3.7251 4.0137 4.0137 4.0322 4.0322 4.0960 4.0960 4.1942 4.1942 4.3095 4.3095 4.6236 4.6236 5.7668 5.7668 5.8354 5.8354 5.9849 5.9849 8.6744 8.6744 10.9975 10.9975 11.4710 11.4710 11.5038 11.5038 11.9655 11.9655 k = 0.4528 0.6102-0.0000 ( 3552 PWs) bands (ev): -16.8052 -16.8052 -16.6978 -16.6978 -12.5863 -12.5863 -12.5855 -12.5855 -2.0262 -2.0262 -1.4088 -1.4088 -1.3978 -1.3978 -0.7097 -0.7097 -0.2982 -0.2982 -0.1633 -0.1633 0.8273 0.8273 0.8477 0.8477 1.8700 1.8700 3.6059 3.6059 3.6083 3.6083 3.7001 3.7001 3.7199 3.7199 4.0209 4.0209 4.0272 4.0272 4.0924 4.0924 4.1944 4.1944 4.3023 4.3023 4.6347 4.6347 5.7721 5.7721 5.8395 5.8395 5.9797 5.9797 8.6827 8.6827 10.9931 10.9931 11.4798 11.4798 11.5123 11.5123 11.9721 11.9721 k = 0.4623 0.6229-0.0000 ( 3544 PWs) bands (ev): -16.8068 -16.8068 -16.6960 -16.6960 -12.5865 -12.5865 -12.5857 -12.5857 -2.0361 -2.0361 -1.4094 -1.4094 -1.3985 -1.3985 -0.7053 -0.7053 -0.2923 -0.2923 -0.1503 -0.1503 0.8267 0.8267 0.8471 0.8471 1.8577 1.8577 3.6096 3.6096 3.6118 3.6118 3.6901 3.6901 3.7156 3.7156 4.0234 4.0234 4.0282 4.0282 4.0873 4.0873 4.1961 4.1961 4.2958 4.2958 4.6439 4.6439 5.7766 5.7766 5.8427 5.8427 5.9755 5.9755 8.6899 8.6899 10.9897 10.9897 11.4870 11.4870 11.5193 11.5193 11.9776 11.9776 k = 0.4717 0.6356-0.0000 ( 3528 PWs) bands (ev): -16.8080 -16.8080 -16.6945 -16.6945 -12.5867 -12.5867 -12.5858 -12.5858 -2.0438 -2.0438 -1.4100 -1.4100 -1.3990 -1.3990 -0.7017 -0.7017 -0.2877 -0.2877 -0.1402 -0.1402 0.8262 0.8262 0.8467 0.8467 1.8481 1.8481 3.6108 3.6108 3.6178 3.6178 3.6809 3.6809 3.7122 3.7122 4.0203 4.0203 4.0356 4.0356 4.0812 4.0812 4.1985 4.1985 4.2903 4.2903 4.6512 4.6512 5.7800 5.7800 5.8451 5.8451 5.9723 5.9723 8.6957 8.6957 10.9871 10.9871 11.4927 11.4927 11.5247 11.5247 11.9820 11.9820 k = 0.4811 0.6483-0.0000 ( 3528 PWs) bands (ev): -16.8089 -16.8089 -16.6934 -16.6934 -12.5868 -12.5868 -12.5859 -12.5859 -2.0493 -2.0493 -1.4103 -1.4103 -1.3994 -1.3994 -0.6992 -0.6992 -0.2844 -0.2844 -0.1329 -0.1329 0.8259 0.8259 0.8463 0.8463 1.8412 1.8412 3.6116 3.6116 3.6234 3.6234 3.6729 3.6729 3.7097 3.7097 4.0181 4.0181 4.0429 4.0429 4.0744 4.0744 4.2008 4.2008 4.2860 4.2860 4.6564 4.6564 5.7824 5.7824 5.8467 5.8467 5.9701 5.9701 8.7000 8.7000 10.9851 10.9851 11.4967 11.4967 11.5286 11.5286 11.9850 11.9850 k = 0.4906 0.6610-0.0000 ( 3528 PWs) bands (ev): -16.8094 -16.8094 -16.6928 -16.6928 -12.5869 -12.5869 -12.5860 -12.5860 -2.0527 -2.0527 -1.4106 -1.4106 -1.3996 -1.3996 -0.6976 -0.6976 -0.2824 -0.2824 -0.1284 -0.1284 0.8257 0.8257 0.8461 0.8461 1.8371 1.8371 3.6121 3.6121 3.6278 3.6278 3.6670 3.6670 3.7082 3.7082 4.0168 4.0168 4.0501 4.0501 4.0675 4.0675 4.2026 4.2026 4.2832 4.2832 4.6595 4.6595 5.7838 5.7838 5.8477 5.8477 5.9688 5.9688 8.7026 8.7026 10.9840 10.9840 11.4991 11.4991 11.5309 11.5309 11.9869 11.9869 k = 0.5000 0.6737-0.0000 ( 3532 PWs) bands (ev): -16.8096 -16.8096 -16.6926 -16.6926 -12.5869 -12.5869 -12.5860 -12.5860 -2.0538 -2.0538 -1.4107 -1.4107 -1.3997 -1.3997 -0.6971 -0.6971 -0.2817 -0.2817 -0.1270 -0.1270 0.8256 0.8256 0.8460 0.8460 1.8357 1.8357 3.6123 3.6123 3.6296 3.6296 3.6647 3.6647 3.7077 3.7077 4.0163 4.0163 4.0546 4.0546 4.0630 4.0630 4.2032 4.2032 4.2822 4.2822 4.6605 4.6605 5.7843 5.7843 5.8480 5.8480 5.9683 5.9683 8.7035 8.7035 10.9836 10.9836 11.4999 11.4999 11.5316 11.5316 11.9875 11.9875 k = 0.5000 0.6737-0.0000 ( 3532 PWs) bands (ev): -16.8096 -16.8096 -16.6926 -16.6926 -12.5869 -12.5869 -12.5860 -12.5860 -2.0538 -2.0538 -1.4107 -1.4107 -1.3997 -1.3997 -0.6971 -0.6971 -0.2817 -0.2817 -0.1270 -0.1270 0.8256 0.8256 0.8460 0.8460 1.8357 1.8357 3.6123 3.6123 3.6296 3.6296 3.6647 3.6647 3.7077 3.7077 4.0163 4.0163 4.0546 4.0546 4.0630 4.0630 4.2032 4.2032 4.2822 4.2822 4.6605 4.6605 5.7843 5.7843 5.8480 5.8480 5.9683 5.9683 8.7035 8.7035 10.9836 10.9836 11.4999 11.4999 11.5316 11.5316 11.9875 11.9875 k = 0.4923 0.6794 0.0096 ( 3532 PWs) bands (ev): -16.8096 -16.8096 -16.6925 -16.6925 -12.5869 -12.5869 -12.5860 -12.5860 -2.0534 -2.0534 -1.4115 -1.4115 -1.4006 -1.4006 -0.6960 -0.6960 -0.2809 -0.2809 -0.1270 -0.1270 0.8249 0.8249 0.8454 0.8454 1.8375 1.8375 3.6122 3.6122 3.6287 3.6287 3.6622 3.6622 3.7090 3.7090 4.0160 4.0160 4.0554 4.0554 4.0627 4.0627 4.2043 4.2043 4.2825 4.2825 4.6600 4.6600 5.7843 5.7843 5.8480 5.8480 5.9689 5.9689 8.7052 8.7052 10.9834 10.9834 11.4917 11.4917 11.5235 11.5235 11.9960 11.9960 k = 0.4846 0.6851 0.0191 ( 3542 PWs) bands (ev): -16.8098 -16.8098 -16.6924 -16.6924 -12.5868 -12.5868 -12.5860 -12.5860 -2.0524 -2.0524 -1.4142 -1.4142 -1.4031 -1.4031 -0.6928 -0.6928 -0.2784 -0.2784 -0.1272 -0.1272 0.8229 0.8229 0.8434 0.8434 1.8430 1.8430 3.6118 3.6118 3.6258 3.6258 3.6555 3.6555 3.7124 3.7124 4.0148 4.0148 4.0565 4.0565 4.0633 4.0633 4.2077 4.2077 4.2835 4.2835 4.6586 4.6586 5.7841 5.7841 5.8483 5.8483 5.9706 5.9706 8.7102 8.7102 10.9827 10.9827 11.4668 11.4668 11.5023 11.5023 12.0192 12.0192 k = 0.4770 0.6908 0.0287 ( 3540 PWs) bands (ev): -16.8101 -16.8101 -16.6921 -16.6921 -12.5868 -12.5868 -12.5859 -12.5859 -2.0507 -2.0507 -1.4188 -1.4188 -1.4071 -1.4071 -0.6874 -0.6874 -0.2742 -0.2742 -0.1275 -0.1275 0.8193 0.8193 0.8403 0.8403 1.8521 1.8521 3.6107 3.6107 3.6216 3.6216 3.6457 3.6457 3.7171 3.7171 4.0129 4.0129 4.0546 4.0546 4.0680 4.0680 4.2131 4.2131 4.2852 4.2852 4.6565 4.6565 5.7837 5.7837 5.8486 5.8486 5.9737 5.9737 8.7186 8.7186 10.9816 10.9816 11.4260 11.4260 11.4728 11.4728 12.0528 12.0528 k = 0.4770 0.6908 0.0287 ( 3540 PWs) bands (ev): -16.8101 -16.8101 -16.6921 -16.6921 -12.5868 -12.5868 -12.5859 -12.5859 -2.0507 -2.0507 -1.4188 -1.4188 -1.4071 -1.4071 -0.6874 -0.6874 -0.2742 -0.2742 -0.1275 -0.1275 0.8193 0.8193 0.8403 0.8403 1.8521 1.8521 3.6107 3.6107 3.6216 3.6216 3.6457 3.6457 3.7171 3.7171 4.0129 4.0129 4.0546 4.0546 4.0680 4.0680 4.2131 4.2131 4.2852 4.2852 4.6565 4.6565 5.7837 5.7837 5.8486 5.8486 5.9737 5.9737 8.7186 8.7186 10.9816 10.9816 11.4260 11.4260 11.4728 11.4728 12.0528 12.0528 k = 0.4637 0.6862 0.0365 ( 3542 PWs) bands (ev): -16.8104 -16.8104 -16.6920 -16.6920 -12.5867 -12.5867 -12.5858 -12.5858 -2.0481 -2.0481 -1.4241 -1.4241 -1.4112 -1.4112 -0.6817 -0.6817 -0.2700 -0.2700 -0.1286 -0.1286 0.8151 0.8151 0.8372 0.8372 1.8629 1.8629 3.6075 3.6075 3.6164 3.6164 3.6382 3.6382 3.7217 3.7217 4.0110 4.0110 4.0506 4.0506 4.0754 4.0754 4.2185 4.2185 4.2877 4.2877 4.6535 4.6535 5.7828 5.7828 5.8488 5.8488 5.9774 5.9774 8.7275 8.7275 10.9806 10.9806 11.3832 11.3832 11.4435 11.4435 12.0844 12.0844 k = 0.4505 0.6815 0.0444 ( 3541 PWs) bands (ev): -16.8105 -16.8105 -16.6920 -16.6920 -12.5867 -12.5867 -12.5857 -12.5857 -2.0439 -2.0439 -1.4307 -1.4307 -1.4159 -1.4159 -0.6752 -0.6752 -0.2654 -0.2654 -0.1314 -0.1314 0.8096 0.8096 0.8338 0.8338 1.8775 1.8775 3.5986 3.5986 3.6116 3.6116 3.6337 3.6337 3.7273 3.7273 4.0091 4.0091 4.0460 4.0460 4.0843 4.0843 4.2239 4.2239 4.2920 4.2920 4.6491 4.6491 5.7808 5.7808 5.8486 5.8486 5.9827 5.9827 8.7376 8.7376 10.9796 10.9796 11.3342 11.3342 11.4098 11.4098 12.1171 12.1171 k = 0.4372 0.6768 0.0522 ( 3543 PWs) bands (ev): -16.8106 -16.8106 -16.6921 -16.6921 -12.5866 -12.5866 -12.5855 -12.5855 -2.0381 -2.0381 -1.4387 -1.4387 -1.4210 -1.4210 -0.6679 -0.6679 -0.2606 -0.2606 -0.1359 -0.1359 0.8029 0.8029 0.8301 0.8301 1.8956 1.8956 3.5847 3.5847 3.6074 3.6074 3.6311 3.6311 3.7337 3.7337 4.0069 4.0069 4.0422 4.0422 4.0940 4.0940 4.2292 4.2292 4.2980 4.2980 4.6433 4.6433 5.7775 5.7775 5.8478 5.8478 5.9895 5.9895 8.7489 8.7489 10.9787 10.9787 11.2806 11.2806 11.3724 11.3724 12.1495 12.1495 k = 0.4240 0.6721 0.0601 ( 3537 PWs) bands (ev): -16.8105 -16.8105 -16.6925 -16.6925 -12.5864 -12.5864 -12.5853 -12.5853 -2.0307 -2.0307 -1.4479 -1.4479 -1.4266 -1.4266 -0.6597 -0.6597 -0.2555 -0.2555 -0.1420 -0.1420 0.7950 0.7950 0.8262 0.8262 1.9172 1.9172 3.5685 3.5685 3.6023 3.6023 3.6296 3.6296 3.7408 3.7408 4.0040 4.0040 4.0400 4.0400 4.1043 4.1043 4.2345 4.2345 4.3057 4.3057 4.6363 4.6363 5.7728 5.7728 5.8463 5.8463 5.9979 5.9979 8.7613 8.7613 10.9778 10.9778 11.2238 11.2238 11.3322 11.3322 12.1805 12.1805 k = 0.4107 0.6674 0.0679 ( 3538 PWs) bands (ev): -16.8103 -16.8103 -16.6929 -16.6929 -12.5863 -12.5863 -12.5850 -12.5850 -2.0217 -2.0217 -1.4581 -1.4581 -1.4326 -1.4326 -0.6508 -0.6508 -0.2502 -0.2502 -0.1497 -0.1497 0.7860 0.7860 0.8219 0.8219 1.9420 1.9420 3.5507 3.5507 3.5961 3.5961 3.6284 3.6284 3.7485 3.7485 4.0002 4.0002 4.0401 4.0401 4.1149 4.1149 4.2397 4.2397 4.3151 4.3151 4.6282 4.6282 5.7667 5.7667 5.8437 5.8437 6.0078 6.0078 8.7748 8.7748 10.9767 10.9767 11.1645 11.1645 11.2897 11.2897 12.2092 12.2092 k = 0.3975 0.6628 0.0758 ( 3540 PWs) bands (ev): -16.8100 -16.8100 -16.6936 -16.6936 -12.5861 -12.5861 -12.5847 -12.5847 -2.0111 -2.0111 -1.4694 -1.4694 -1.4390 -1.4390 -0.6411 -0.6411 -0.2447 -0.2447 -0.1590 -0.1590 0.7760 0.7760 0.8173 0.8173 1.9699 1.9699 3.5319 3.5319 3.5889 3.5889 3.6273 3.6273 3.7566 3.7566 3.9954 3.9954 4.0426 4.0426 4.1259 4.1259 4.2449 4.2449 4.3259 4.3259 4.6191 4.6191 5.7592 5.7592 5.8402 5.8402 6.0189 6.0189 8.7893 8.7893 10.9753 10.9753 11.1036 11.1036 11.2456 11.2456 12.2352 12.2352 k = 0.3842 0.6581 0.0836 ( 3536 PWs) bands (ev): -16.8096 -16.8096 -16.6944 -16.6944 -12.5860 -12.5860 -12.5843 -12.5843 -1.9990 -1.9990 -1.4814 -1.4814 -1.4458 -1.4458 -0.6306 -0.6306 -0.2393 -0.2393 -0.1698 -0.1698 0.7651 0.7651 0.8123 0.8123 2.0007 2.0007 3.5124 3.5124 3.5808 3.5808 3.6258 3.6258 3.7652 3.7652 3.9899 3.9899 4.0475 4.0475 4.1371 4.1371 4.2506 4.2506 4.3380 4.3380 4.6093 4.6093 5.7501 5.7501 5.8354 5.8354 6.0310 6.0310 8.8048 8.8048 10.9730 10.9730 11.0419 11.0419 11.2005 11.2005 12.2580 12.2580 k = 0.3710 0.6534 0.0915 ( 3537 PWs) bands (ev): -16.8091 -16.8091 -16.6953 -16.6953 -12.5858 -12.5858 -12.5839 -12.5839 -1.9855 -1.9855 -1.4942 -1.4942 -1.4530 -1.4530 -0.6193 -0.6193 -0.2341 -0.2341 -0.1817 -0.1817 0.7535 0.7535 0.8068 0.8068 2.0341 2.0341 3.4923 3.4923 3.5720 3.5720 3.6237 3.6237 3.7740 3.7740 3.9842 3.9842 4.0545 4.0545 4.1485 4.1485 4.2570 4.2570 4.3513 4.3513 4.5987 4.5987 5.7397 5.7397 5.8293 5.8293 6.0437 6.0437 8.8212 8.8212 10.9641 10.9641 10.9855 10.9855 11.1547 11.1547 12.2775 12.2775 k = 0.3577 0.6487 0.0993 ( 3535 PWs) bands (ev): -16.8085 -16.8085 -16.6964 -16.6964 -12.5855 -12.5855 -12.5835 -12.5835 -1.9706 -1.9706 -1.5075 -1.5075 -1.4605 -1.4605 -0.6073 -0.6073 -0.2301 -0.2301 -0.1937 -0.1937 0.7411 0.7411 0.8007 0.8007 2.0699 2.0699 3.4719 3.4719 3.5627 3.5627 3.6209 3.6209 3.7829 3.7829 3.9786 3.9786 4.0634 4.0634 4.1599 4.1599 4.2645 4.2645 4.3655 4.3655 4.5877 4.5877 5.7279 5.7279 5.8219 5.8219 6.0568 6.0568 8.8385 8.8385 10.9108 10.9108 10.9723 10.9723 11.1088 11.1088 12.2935 12.2935 k = 0.3445 0.6440 0.1072 ( 3538 PWs) bands (ev): -16.8078 -16.8078 -16.6977 -16.6977 -12.5853 -12.5853 -12.5830 -12.5830 -1.9544 -1.9544 -1.5213 -1.5213 -1.4681 -1.4681 -0.5944 -0.5944 -0.2308 -0.2308 -0.2025 -0.2025 0.7282 0.7282 0.7939 0.7939 2.1078 2.1078 3.4514 3.4514 3.5528 3.5528 3.6173 3.6173 3.7917 3.7917 3.9734 3.9734 4.0739 4.0739 4.1709 4.1709 4.2735 4.2735 4.3807 4.3807 4.5763 4.5763 5.7148 5.7148 5.8130 5.8130 6.0697 6.0697 8.8564 8.8564 10.8473 10.8473 10.9680 10.9680 11.0632 11.0632 12.3061 12.3061 k = 0.3312 0.6394 0.1150 ( 3542 PWs) bands (ev): -16.8070 -16.8070 -16.6990 -16.6990 -12.5850 -12.5850 -12.5825 -12.5825 -1.9371 -1.9371 -1.5354 -1.5354 -1.4759 -1.4759 -0.5808 -0.5808 -0.2409 -0.2409 -0.2033 -0.2033 0.7148 0.7148 0.7866 0.7866 2.1478 2.1478 3.4309 3.4309 3.5426 3.5426 3.6128 3.6128 3.8001 3.8001 3.9688 3.9688 4.0858 4.0858 4.1813 4.1813 4.2843 4.2843 4.3968 4.3968 4.5647 4.5647 5.7005 5.7005 5.8027 5.8027 6.0823 6.0823 8.8751 8.8751 10.7830 10.7830 10.9630 10.9630 11.0187 11.0187 12.3155 12.3155 k = 0.3180 0.6347 0.1229 ( 3542 PWs) bands (ev): -16.8060 -16.8060 -16.7005 -16.7005 -12.5847 -12.5847 -12.5820 -12.5820 -1.9186 -1.9186 -1.5497 -1.5497 -1.4836 -1.4836 -0.5664 -0.5664 -0.2576 -0.2576 -0.1988 -0.1988 0.7008 0.7008 0.7785 0.7785 2.1894 2.1894 3.4107 3.4107 3.5321 3.5321 3.6074 3.6074 3.8079 3.8079 3.9652 3.9652 4.0988 4.0988 4.1910 4.1910 4.2972 4.2972 4.4138 4.4138 4.5530 4.5530 5.6852 5.6852 5.7911 5.7911 6.0940 6.0940 8.8943 8.8943 10.7187 10.7187 10.9534 10.9534 10.9788 10.9788 12.3219 12.3219 k = 0.3047 0.6300 0.1307 ( 3544 PWs) bands (ev): -16.8050 -16.8050 -16.7022 -16.7022 -12.5844 -12.5844 -12.5815 -12.5815 -1.8993 -1.8993 -1.5642 -1.5642 -1.4911 -1.4911 -0.5513 -0.5513 -0.2773 -0.2773 -0.1926 -0.1926 0.6865 0.6865 0.7698 0.7698 2.2325 2.2325 3.3908 3.3908 3.5215 3.5215 3.6012 3.6012 3.8148 3.8148 3.9626 3.9626 4.1127 4.1127 4.1997 4.1997 4.3124 4.3124 4.4317 4.4317 4.5416 4.5416 5.6690 5.6690 5.7780 5.7780 6.1045 6.1045 8.9140 8.9140 10.6546 10.6546 10.9233 10.9233 10.9594 10.9594 12.3259 12.3259 k = 0.2915 0.6253 0.1386 ( 3547 PWs) bands (ev): -16.8039 -16.8039 -16.7039 -16.7039 -12.5841 -12.5841 -12.5810 -12.5810 -1.8792 -1.8792 -1.5786 -1.5786 -1.4983 -1.4983 -0.5354 -0.5354 -0.2991 -0.2991 -0.1857 -0.1857 0.6719 0.6719 0.7603 0.7603 2.2768 2.2768 3.3714 3.3714 3.5109 3.5109 3.5941 3.5941 3.8207 3.8207 3.9612 3.9612 4.1271 4.1271 4.2076 4.2076 4.3296 4.3296 4.4504 4.4504 4.5311 4.5311 5.6519 5.6519 5.7635 5.7635 6.1135 6.1135 8.9341 8.9341 10.5909 10.5909 10.8828 10.8828 10.9505 10.9505 12.3279 12.3279 k = 0.2782 0.6207 0.1465 ( 3547 PWs) bands (ev): -16.8027 -16.8027 -16.7058 -16.7058 -12.5838 -12.5838 -12.5805 -12.5805 -1.8587 -1.8587 -1.5930 -1.5930 -1.5048 -1.5048 -0.5189 -0.5189 -0.3226 -0.3226 -0.1784 -0.1784 0.6571 0.6571 0.7500 0.7500 2.3221 2.3221 3.3527 3.3527 3.5003 3.5003 3.5863 3.5863 3.8254 3.8254 3.9610 3.9610 4.1417 4.1417 4.2148 4.2148 4.3484 4.3484 4.4686 4.4686 4.5230 4.5230 5.6342 5.6342 5.7477 5.7477 6.1207 6.1207 8.9545 8.9545 10.5277 10.5277 10.8424 10.8424 10.9418 10.9418 12.3284 12.3284 k = 0.2650 0.6160 0.1543 ( 3547 PWs) bands (ev): -16.8014 -16.8014 -16.7077 -16.7077 -12.5834 -12.5834 -12.5799 -12.5799 -1.8380 -1.8380 -1.6072 -1.6072 -1.5103 -1.5103 -0.5017 -0.5017 -0.3475 -0.3475 -0.1707 -0.1707 0.6420 0.6420 0.7391 0.7391 2.3681 2.3681 3.3347 3.3347 3.4900 3.4900 3.5780 3.5780 3.8289 3.8289 3.9617 3.9617 4.1561 4.1561 4.2218 4.2218 4.3680 4.3680 4.4811 4.4811 4.5235 4.5235 5.6159 5.6159 5.7308 5.7308 6.1257 6.1257 8.9752 8.9752 10.4652 10.4652 10.8035 10.8035 10.9321 10.9321 12.3280 12.3280 k = 0.2517 0.6113 0.1622 ( 3555 PWs) bands (ev): -16.8000 -16.8000 -16.7098 -16.7098 -12.5830 -12.5830 -12.5794 -12.5794 -1.8176 -1.8176 -1.6210 -1.6210 -1.5144 -1.5144 -0.4838 -0.4838 -0.3739 -0.3739 -0.1629 -0.1629 0.6268 0.6268 0.7274 0.7274 2.4146 2.4146 3.3174 3.3174 3.4799 3.4799 3.5691 3.5691 3.8313 3.8313 3.9633 3.9633 4.1697 4.1697 4.2290 4.2290 4.3876 4.3876 4.4811 4.4811 4.5401 4.5401 5.5971 5.5971 5.7127 5.7127 6.1284 6.1284 8.9959 8.9959 10.4035 10.4035 10.7664 10.7664 10.9211 10.9211 12.3273 12.3273 k = 0.2385 0.6066 0.1700 ( 3555 PWs) bands (ev): -16.7985 -16.7985 -16.7120 -16.7120 -12.5826 -12.5826 -12.5789 -12.5789 -1.7980 -1.7980 -1.6346 -1.6346 -1.5165 -1.5165 -0.4653 -0.4653 -0.4016 -0.4016 -0.1550 -0.1550 0.6115 0.6115 0.7150 0.7150 2.4613 2.4613 3.3011 3.3011 3.4703 3.4703 3.5599 3.5599 3.8328 3.8328 3.9654 3.9654 4.1819 4.1819 4.2371 4.2371 4.4061 4.4061 4.4752 4.4752 4.5672 4.5672 5.5781 5.5781 5.6936 5.6936 6.1282 6.1282 9.0168 9.0168 10.3427 10.3427 10.7314 10.7314 10.9086 10.9086 12.3268 12.3268 k = 0.2252 0.6019 0.1779 ( 3550 PWs) bands (ev): -16.7969 -16.7969 -16.7142 -16.7142 -12.5822 -12.5822 -12.5784 -12.5784 -1.7798 -1.7798 -1.6477 -1.6477 -1.5160 -1.5160 -0.4464 -0.4464 -0.4304 -0.4304 -0.1470 -0.1470 0.5963 0.5963 0.7019 0.7019 2.5079 2.5079 3.2856 3.2856 3.4612 3.4612 3.5505 3.5505 3.8335 3.8335 3.9677 3.9677 4.1919 4.1919 4.2462 4.2462 4.4219 4.4219 4.4700 4.4700 4.6001 4.6001 5.5591 5.5591 5.6736 5.6736 6.1252 6.1252 9.0377 9.0377 10.2829 10.2829 10.6989 10.6989 10.8947 10.8947 12.3270 12.3270 k = 0.2120 0.5973 0.1857 ( 3550 PWs) bands (ev): -16.7952 -16.7952 -16.7165 -16.7165 -12.5817 -12.5817 -12.5780 -12.5780 -1.7639 -1.7639 -1.6603 -1.6603 -1.5121 -1.5121 -0.4607 -0.4607 -0.4267 -0.4267 -0.1390 -0.1390 0.5811 0.5811 0.6882 0.6882 2.5542 2.5542 3.2709 3.2709 3.4528 3.4528 3.5411 3.5411 3.8336 3.8336 3.9699 3.9699 4.1997 4.1997 4.2564 4.2564 4.4317 4.4317 4.4699 4.4699 4.6374 4.6374 5.5401 5.5401 5.6529 5.6529 6.1190 6.1190 9.0587 9.0587 10.2242 10.2242 10.6689 10.6689 10.8794 10.8794 12.3282 12.3282 k = 0.1987 0.5926 0.1936 ( 3554 PWs) bands (ev): -16.7934 -16.7934 -16.7189 -16.7189 -12.5813 -12.5813 -12.5775 -12.5775 -1.7508 -1.7508 -1.6723 -1.6723 -1.5042 -1.5042 -0.4919 -0.4919 -0.4068 -0.4068 -0.1312 -0.1312 0.5661 0.5661 0.6739 0.6739 2.6000 2.6000 3.2571 3.2571 3.4451 3.4451 3.5317 3.5317 3.8334 3.8334 3.9718 3.9718 4.2055 4.2055 4.2667 4.2667 4.4339 4.4339 4.4776 4.4776 4.6785 4.6785 5.5214 5.5214 5.6317 5.6317 6.1094 6.1094 9.0797 9.0797 10.1666 10.1666 10.6417 10.6417 10.8628 10.8628 12.3307 12.3307 k = 0.1855 0.5879 0.2014 ( 3551 PWs) bands (ev): -16.7916 -16.7916 -16.7214 -16.7214 -12.5809 -12.5809 -12.5771 -12.5771 -1.7410 -1.7410 -1.6836 -1.6836 -1.4918 -1.4918 -0.5242 -0.5242 -0.3866 -0.3866 -0.1236 -0.1236 0.5515 0.5515 0.6592 0.6592 2.6449 2.6449 3.2440 3.2440 3.4383 3.4383 3.5226 3.5226 3.8329 3.8329 3.9731 3.9731 4.2097 4.2097 4.2761 4.2761 4.4329 4.4329 4.4895 4.4895 4.7231 4.7231 5.5032 5.5032 5.6101 5.6101 6.0962 6.0962 9.1009 9.1009 10.1102 10.1102 10.6173 10.6173 10.8449 10.8449 12.3349 12.3349 k = 0.1722 0.5832 0.2093 ( 3546 PWs) bands (ev): -16.7897 -16.7897 -16.7239 -16.7239 -12.5804 -12.5804 -12.5767 -12.5767 -1.7346 -1.7346 -1.6943 -1.6943 -1.4749 -1.4749 -0.5574 -0.5574 -0.3660 -0.3660 -0.1162 -0.1162 0.5372 0.5372 0.6440 0.6440 2.6888 2.6888 3.2317 3.2317 3.4324 3.4324 3.5138 3.5138 3.8324 3.8324 3.9735 3.9735 4.2129 4.2129 4.2835 4.2835 4.4327 4.4327 4.5021 4.5021 4.7708 4.7708 5.4856 5.4856 5.5883 5.5883 6.0794 6.0794 9.1223 9.1223 10.0550 10.0550 10.5959 10.5959 10.8259 10.8259 12.3409 12.3409 k = 0.1590 0.5785 0.2171 ( 3546 PWs) bands (ev): -16.7877 -16.7877 -16.7265 -16.7265 -12.5800 -12.5800 -12.5764 -12.5764 -1.7313 -1.7313 -1.7043 -1.7043 -1.4537 -1.4537 -0.5915 -0.5915 -0.3452 -0.3452 -0.1094 -0.1094 0.5236 0.5236 0.6285 0.6285 2.7313 2.7313 3.2198 3.2198 3.4274 3.4274 3.5055 3.5055 3.8320 3.8320 3.9729 3.9729 4.2153 4.2153 4.2880 4.2880 4.4353 4.4353 4.5143 4.5143 4.8212 4.8212 5.4689 5.4689 5.5666 5.5666 6.0589 6.0589 9.1439 9.1439 10.0012 10.0012 10.5775 10.5775 10.8060 10.8060 12.3488 12.3488 k = 0.1457 0.5739 0.2250 ( 3546 PWs) bands (ev): -16.7856 -16.7856 -16.7291 -16.7291 -12.5795 -12.5795 -12.5761 -12.5761 -1.7305 -1.7305 -1.7134 -1.7134 -1.4289 -1.4289 -0.6264 -0.6264 -0.3244 -0.3244 -0.1031 -0.1031 0.5107 0.5107 0.6128 0.6128 2.7722 2.7722 3.2085 3.2085 3.4236 3.4236 3.4976 3.4976 3.8318 3.8318 3.9712 3.9712 4.2172 4.2172 4.2894 4.2894 4.4412 4.4412 4.5256 4.5256 4.8739 4.8739 5.4533 5.4533 5.5450 5.5450 6.0345 6.0345 9.1660 9.1660 9.9487 9.9487 10.5621 10.5621 10.7853 10.7853 12.3586 12.3586 k = 0.1325 0.5692 0.2328 ( 3546 PWs) bands (ev): -16.7835 -16.7835 -16.7318 -16.7318 -12.5791 -12.5791 -12.5758 -12.5758 -1.7315 -1.7315 -1.7217 -1.7217 -1.4010 -1.4010 -0.6621 -0.6621 -0.3035 -0.3035 -0.0977 -0.0977 0.4987 0.4987 0.5969 0.5969 2.8112 2.8112 3.1977 3.1977 3.4209 3.4209 3.4904 3.4904 3.8320 3.8320 3.9683 3.9683 4.2188 4.2188 4.2879 4.2879 4.4499 4.4499 4.5358 4.5358 4.9286 4.9286 5.4389 5.4389 5.5238 5.5238 6.0064 6.0064 9.1885 9.1885 9.8976 9.8976 10.5497 10.5497 10.7642 10.7642 12.3703 12.3703 k = 0.1192 0.5645 0.2407 ( 3544 PWs) bands (ev): -16.7813 -16.7813 -16.7344 -16.7344 -12.5786 -12.5786 -12.5756 -12.5756 -1.7339 -1.7339 -1.7291 -1.7291 -1.3706 -1.3706 -0.6985 -0.6985 -0.2827 -0.2827 -0.0932 -0.0932 0.4878 0.4878 0.5812 0.5812 2.8483 2.8483 3.1870 3.1870 3.4192 3.4192 3.4837 3.4837 3.8327 3.8327 3.9640 3.9640 4.2202 4.2202 4.2844 4.2844 4.4607 4.4607 4.5448 4.5448 4.9850 4.9850 5.4262 5.4262 5.5031 5.5031 5.9746 5.9746 9.2117 9.2117 9.8479 9.8479 10.5404 10.5404 10.7428 10.7428 12.3839 12.3839 k = 0.1060 0.5598 0.2485 ( 3552 PWs) bands (ev): -16.7790 -16.7790 -16.7372 -16.7372 -12.5782 -12.5782 -12.5754 -12.5754 -1.7375 -1.7375 -1.7353 -1.7353 -1.3383 -1.3383 -0.7355 -0.7355 -0.2622 -0.2622 -0.0899 -0.0899 0.4782 0.4782 0.5656 0.5656 2.8831 2.8831 3.1765 3.1765 3.4187 3.4187 3.4776 3.4776 3.8341 3.8341 3.9584 3.9584 4.2215 4.2215 4.2796 4.2796 4.4728 4.4728 4.5524 4.5524 5.0424 5.0424 5.4153 5.4153 5.4833 5.4833 5.9391 5.9391 9.2357 9.2357 9.7998 9.7998 10.5338 10.5338 10.7213 10.7213 12.3992 12.3992 k = 0.0927 0.5552 0.2564 ( 3551 PWs) bands (ev): -16.7767 -16.7767 -16.7399 -16.7399 -12.5778 -12.5778 -12.5753 -12.5753 -1.7424 -1.7424 -1.7397 -1.7397 -1.3045 -1.3045 -0.7729 -0.7729 -0.2421 -0.2421 -0.0880 -0.0880 0.4702 0.4702 0.5503 0.5503 2.9156 2.9156 3.1659 3.1659 3.4193 3.4193 3.4721 3.4721 3.8363 3.8363 3.9515 3.9515 4.2229 4.2229 4.2741 4.2741 4.4856 4.4856 4.5587 4.5587 5.1004 5.1004 5.4066 5.4066 5.4644 5.4644 5.9002 5.9002 9.2606 9.2606 9.7531 9.7531 10.5302 10.5302 10.7000 10.7000 12.4163 12.4163 k = 0.0795 0.5505 0.2642 ( 3548 PWs) bands (ev): -16.7743 -16.7743 -16.7426 -16.7426 -12.5774 -12.5774 -12.5752 -12.5752 -1.7471 -1.7471 -1.7435 -1.7435 -1.2693 -1.2693 -0.8109 -0.8109 -0.2224 -0.2224 -0.0877 -0.0877 0.4639 0.4639 0.5355 0.5355 2.9456 2.9456 3.1551 3.1551 3.4208 3.4208 3.4671 3.4671 3.8395 3.8395 3.9434 3.9434 4.2244 4.2244 4.2684 4.2684 4.4985 4.4985 4.5635 4.5635 5.1584 5.1584 5.4007 5.4007 5.4468 5.4468 5.8580 5.8580 9.2866 9.2866 9.7079 9.7079 10.5293 10.5293 10.6791 10.6791 12.4348 12.4348 k = 0.0662 0.5458 0.2721 ( 3548 PWs) bands (ev): -16.7718 -16.7718 -16.7454 -16.7454 -12.5770 -12.5770 -12.5751 -12.5751 -1.7511 -1.7511 -1.7471 -1.7471 -1.2332 -1.2332 -0.8492 -0.8492 -0.2035 -0.2035 -0.0891 -0.0891 0.4595 0.4595 0.5215 0.5215 2.9732 2.9732 3.1441 3.1441 3.4231 3.4231 3.4624 3.4624 3.8438 3.8438 3.9343 3.9343 4.2261 4.2261 4.2627 4.2627 4.5110 4.5110 4.5667 4.5667 5.2149 5.2149 5.3984 5.3984 5.4308 5.4308 5.8127 5.8127 9.3137 9.3137 9.6643 9.6643 10.5310 10.5310 10.6588 10.6588 12.4548 12.4548 k = 0.0530 0.5411 0.2799 ( 3548 PWs) bands (ev): -16.7693 -16.7693 -16.7481 -16.7481 -12.5767 -12.5767 -12.5751 -12.5751 -1.7542 -1.7542 -1.7503 -1.7503 -1.1962 -1.1962 -0.8877 -0.8877 -0.1854 -0.1854 -0.0924 -0.0924 0.4570 0.4570 0.5083 0.5083 2.9984 2.9984 3.1325 3.1325 3.4261 3.4261 3.4580 3.4580 3.8492 3.8492 3.9243 3.9243 4.2281 4.2281 4.2573 4.2573 4.5227 4.5227 4.5683 4.5683 5.2673 5.2673 5.4002 5.4002 5.4184 5.4184 5.7646 5.7646 9.3421 9.3421 9.6222 9.6222 10.5351 10.5351 10.6393 10.6393 12.4760 12.4760 k = 0.0397 0.5364 0.2878 ( 3544 PWs) bands (ev): -16.7668 -16.7668 -16.7508 -16.7508 -12.5763 -12.5763 -12.5752 -12.5752 -1.7564 -1.7564 -1.7532 -1.7532 -1.1586 -1.1586 -0.9265 -0.9265 -0.1684 -0.1684 -0.0977 -0.0977 0.4567 0.4567 0.4962 0.4962 3.0212 3.0212 3.1203 3.1203 3.4296 3.4296 3.4539 3.4539 3.8558 3.8558 3.9139 3.9139 4.2303 4.2303 4.2522 4.2522 4.5335 4.5335 4.5683 4.5683 5.3102 5.3102 5.3966 5.3966 5.4244 5.4244 5.7143 5.7143 9.3718 9.3718 9.5817 9.5817 10.5416 10.5416 10.6209 10.6209 12.4983 12.4983 k = 0.0265 0.5318 0.2956 ( 3548 PWs) bands (ev): -16.7642 -16.7642 -16.7536 -16.7536 -12.5761 -12.5761 -12.5753 -12.5753 -1.7578 -1.7578 -1.7555 -1.7555 -1.1205 -1.1205 -0.9654 -0.9654 -0.1526 -0.1526 -0.1050 -0.1050 0.4585 0.4585 0.4853 0.4853 3.0419 3.0419 3.1072 3.1072 3.4334 3.4334 3.4497 3.4497 3.8636 3.8636 3.9031 3.9031 4.2329 4.2329 4.2474 4.2474 4.5431 4.5431 4.5665 4.5665 5.3379 5.3379 5.3859 5.3859 5.4560 5.4560 5.6619 5.6619 9.4030 9.4030 9.5428 9.5428 10.5502 10.5502 10.6037 10.6037 12.5215 12.5215 k = 0.0132 0.5271 0.3035 ( 3544 PWs) bands (ev): -16.7616 -16.7616 -16.7563 -16.7563 -12.5758 -12.5758 -12.5754 -12.5754 -1.7584 -1.7584 -1.7572 -1.7572 -1.0820 -1.0820 -1.0044 -1.0044 -0.1381 -0.1381 -0.1142 -0.1142 0.4624 0.4624 0.4759 0.4759 3.0606 3.0606 3.0930 3.0930 3.4375 3.4375 3.4457 3.4457 3.8724 3.8724 3.8924 3.8924 4.2359 4.2359 4.2432 4.2432 4.5513 4.5513 4.5631 4.5631 5.3538 5.3538 5.3753 5.3753 5.5022 5.5022 5.6083 5.6083 9.4356 9.4356 9.5055 9.5055 10.5609 10.5609 10.5878 10.5878 12.5456 12.5456 k = 0.0000 0.5224 0.3113 ( 3544 PWs) bands (ev): -16.7590 -16.7590 -16.7589 -16.7589 -12.5756 -12.5756 -12.5755 -12.5755 -1.7582 -1.7582 -1.7581 -1.7581 -1.0433 -1.0433 -1.0432 -1.0432 -0.1253 -0.1253 -0.1253 -0.1253 0.4682 0.4682 0.4683 0.4683 3.0775 3.0775 3.0775 3.0775 3.4416 3.4416 3.4416 3.4416 3.8821 3.8821 3.8821 3.8821 4.2394 4.2394 4.2394 4.2394 4.5580 4.5580 4.5580 4.5580 5.3650 5.3650 5.3650 5.3650 5.5544 5.5544 5.5544 5.5544 9.4698 9.4698 9.4698 9.4698 10.5735 10.5735 10.5736 10.5736 12.5703 12.5703 k = 0.0000 0.5224 0.3113 ( 3544 PWs) bands (ev): -16.7590 -16.7590 -16.7589 -16.7589 -12.5756 -12.5756 -12.5755 -12.5755 -1.7582 -1.7582 -1.7581 -1.7581 -1.0433 -1.0433 -1.0432 -1.0432 -0.1253 -0.1253 -0.1253 -0.1253 0.4682 0.4682 0.4683 0.4683 3.0775 3.0775 3.0775 3.0775 3.4416 3.4416 3.4416 3.4416 3.8821 3.8821 3.8821 3.8821 4.2394 4.2394 4.2394 4.2394 4.5580 4.5580 4.5580 4.5580 5.3650 5.3650 5.3650 5.3650 5.5544 5.5544 5.5544 5.5544 9.4698 9.4698 9.4698 9.4698 10.5735 10.5735 10.5736 10.5736 12.5703 12.5703 k = 0.0089 0.5158 0.3224 ( 3546 PWs) bands (ev): -16.7590 -16.7590 -16.7589 -16.7589 -12.5756 -12.5756 -12.5756 -12.5756 -1.7577 -1.7577 -1.7575 -1.7575 -1.0433 -1.0433 -1.0432 -1.0432 -0.1286 -0.1286 -0.1276 -0.1276 0.4699 0.4699 0.4714 0.4714 3.0759 3.0759 3.0784 3.0784 3.4393 3.4393 3.4435 3.4435 3.8779 3.8779 3.8863 3.8863 4.2396 4.2396 4.2400 4.2400 4.5581 4.5581 4.5582 4.5582 5.3620 5.3620 5.3678 5.3678 5.5539 5.5539 5.5567 5.5567 9.4674 9.4674 9.4683 9.4683 10.5724 10.5724 10.5735 10.5735 12.5707 12.5715 k = 0.0179 0.5091 0.3336 ( 3548 PWs) bands (ev): -16.7590 -16.7590 -16.7589 -16.7589 -12.5757 -12.5757 -12.5756 -12.5756 -1.7561 -1.7561 -1.7559 -1.7559 -1.0432 -1.0432 -1.0431 -1.0431 -0.1374 -0.1374 -0.1354 -0.1354 0.4761 0.4761 0.4790 0.4790 3.0735 3.0735 3.0785 3.0785 3.4366 3.4366 3.4450 3.4450 3.8739 3.8739 3.8906 3.8906 4.2407 4.2407 4.2415 4.2415 4.5584 4.5584 4.5586 4.5586 5.3591 5.3591 5.3704 5.3704 5.5553 5.5553 5.5606 5.5606 9.4612 9.4612 9.4630 9.4630 10.5701 10.5701 10.5722 10.5722 12.5733 12.5733 k = 0.0268 0.5025 0.3447 ( 3552 PWs) bands (ev): -16.7589 -16.7589 -16.7588 -16.7588 -12.5757 -12.5757 -12.5757 -12.5757 -1.7534 -1.7534 -1.7531 -1.7531 -1.0431 -1.0431 -1.0430 -1.0430 -0.1512 -0.1512 -0.1483 -0.1483 0.4866 0.4866 0.4907 0.4907 3.0705 3.0705 3.0777 3.0777 3.4336 3.4336 3.4462 3.4462 3.8701 3.8701 3.8948 3.8948 4.2427 4.2427 4.2438 4.2438 4.5589 4.5589 4.5594 4.5594 5.3564 5.3564 5.3727 5.3727 5.5586 5.5586 5.5660 5.5660 9.4512 9.4512 9.4539 9.4539 10.5666 10.5666 10.5698 10.5698 12.5783 12.5820 k = 0.0357 0.4959 0.3558 ( 3550 PWs) bands (ev): -16.7589 -16.7589 -16.7588 -16.7588 -12.5758 -12.5758 -12.5758 -12.5758 -1.7497 -1.7497 -1.7493 -1.7493 -1.0430 -1.0430 -1.0429 -1.0429 -0.1693 -0.1693 -0.1657 -0.1657 0.5007 0.5007 0.5060 0.5060 3.0669 3.0669 3.0762 3.0762 3.4303 3.4303 3.4469 3.4469 3.8666 3.8666 3.8988 3.8988 4.2456 4.2456 4.2469 4.2469 4.5595 4.5595 4.5604 4.5604 5.3540 5.3540 5.3745 5.3745 5.5640 5.5640 5.5729 5.5729 9.4376 9.4376 9.4411 9.4411 10.5621 10.5621 10.5664 10.5664 12.5850 12.5851 k = 0.0446 0.4893 0.3669 ( 3552 PWs) bands (ev): -16.7589 -16.7589 -16.7588 -16.7588 -12.5760 -12.5760 -12.5759 -12.5759 -1.7449 -1.7449 -1.7444 -1.7444 -1.0429 -1.0429 -1.0428 -1.0428 -0.1911 -0.1911 -0.1869 -0.1869 0.5178 0.5178 0.5240 0.5240 3.0628 3.0628 3.0740 3.0740 3.4267 3.4267 3.4472 3.4472 3.8633 3.8633 3.9025 3.9025 4.2492 4.2492 4.2506 4.2506 4.5603 4.5603 4.5618 4.5618 5.3520 5.3520 5.3759 5.3759 5.5715 5.5715 5.5810 5.5810 9.4206 9.4206 9.4248 9.4248 10.5566 10.5566 10.5618 10.5618 12.5940 12.5940 k = 0.0536 0.4826 0.3780 ( 3554 PWs) bands (ev): -16.7588 -16.7588 -16.7587 -16.7587 -12.5761 -12.5761 -12.5760 -12.5760 -1.7391 -1.7391 -1.7385 -1.7385 -1.0428 -1.0428 -1.0426 -1.0426 -0.2158 -0.2158 -0.2113 -0.2113 0.5371 0.5371 0.5441 0.5441 3.0584 3.0584 3.0712 3.0712 3.4229 3.4229 3.4471 3.4471 3.8604 3.8604 3.9059 3.9059 4.2536 4.2536 4.2549 4.2549 4.5610 4.5610 4.5633 4.5633 5.3505 5.3505 5.3770 5.3770 5.5809 5.5809 5.5904 5.5904 9.4002 9.4002 9.4050 9.4050 10.5502 10.5502 10.5564 10.5564 12.6048 12.6048 k = 0.0625 0.4760 0.3892 ( 3552 PWs) bands (ev): -16.7588 -16.7588 -16.7587 -16.7587 -12.5763 -12.5763 -12.5762 -12.5762 -1.7323 -1.7323 -1.7316 -1.7316 -1.0427 -1.0427 -1.0425 -1.0425 -0.2430 -0.2430 -0.2382 -0.2382 0.5582 0.5582 0.5658 0.5658 3.0537 3.0537 3.0678 3.0678 3.4188 3.4188 3.4465 3.4465 3.8578 3.8578 3.9089 3.9089 4.2585 4.2585 4.2597 4.2597 4.5618 4.5618 4.5651 4.5651 5.3497 5.3497 5.3778 5.3778 5.5923 5.5923 5.6011 5.6011 9.3767 9.3767 9.3821 9.3821 10.5430 10.5430 10.5501 10.5501 12.6173 12.6173 k = 0.0714 0.4694 0.4003 ( 3556 PWs) bands (ev): -16.7587 -16.7587 -16.7586 -16.7586 -12.5765 -12.5765 -12.5764 -12.5764 -1.7245 -1.7245 -1.7237 -1.7237 -1.0426 -1.0426 -1.0424 -1.0424 -0.2719 -0.2719 -0.2669 -0.2669 0.5804 0.5804 0.5885 0.5885 3.0489 3.0489 3.0640 3.0640 3.4146 3.4146 3.4454 3.4454 3.8554 3.8554 3.9113 3.9113 4.2640 4.2640 4.2648 4.2648 4.5624 4.5624 4.5669 4.5669 5.3495 5.3495 5.3784 5.3784 5.6054 5.6054 5.6129 5.6129 9.3505 9.3505 9.3563 9.3563 10.5351 10.5351 10.5431 10.5431 12.6314 12.6314 k = 0.0804 0.4628 0.4114 ( 3552 PWs) bands (ev): -16.7586 -16.7586 -16.7585 -16.7585 -12.5767 -12.5767 -12.5766 -12.5766 -1.7157 -1.7157 -1.7148 -1.7148 -1.0425 -1.0425 -1.0424 -1.0424 -0.3022 -0.3022 -0.2971 -0.2971 0.6033 0.6033 0.6117 0.6117 3.0442 3.0442 3.0599 3.0599 3.4101 3.4101 3.4438 3.4438 3.8534 3.8534 3.9132 3.9132 4.2699 4.2699 4.2701 4.2701 4.5630 4.5630 4.5689 4.5689 5.3499 5.3499 5.3789 5.3789 5.6203 5.6203 5.6260 5.6260 9.3217 9.3217 9.3278 9.3278 10.5267 10.5267 10.5355 10.5355 12.6468 12.6469 k = 0.0893 0.4561 0.4225 ( 3554 PWs) bands (ev): -16.7585 -16.7585 -16.7584 -16.7584 -12.5769 -12.5769 -12.5768 -12.5768 -1.7061 -1.7061 -1.7051 -1.7051 -1.0426 -1.0426 -1.0424 -1.0424 -0.3333 -0.3333 -0.3282 -0.3282 0.6265 0.6265 0.6352 0.6352 3.0395 3.0395 3.0556 3.0556 3.4056 3.4056 3.4418 3.4418 3.8515 3.8515 3.9146 3.9146 4.2756 4.2756 4.2761 4.2761 4.5634 4.5634 4.5708 4.5708 5.3510 5.3510 5.3793 5.3793 5.6367 5.6367 5.6402 5.6402 9.2907 9.2907 9.2969 9.2969 10.5179 10.5179 10.5274 10.5274 12.6634 12.6634 k = 0.0982 0.4495 0.4336 ( 3548 PWs) bands (ev): -16.7585 -16.7585 -16.7584 -16.7584 -12.5771 -12.5771 -12.5770 -12.5770 -1.6956 -1.6956 -1.6945 -1.6945 -1.0427 -1.0427 -1.0426 -1.0426 -0.3650 -0.3650 -0.3599 -0.3599 0.6497 0.6497 0.6585 0.6585 3.0350 3.0350 3.0512 3.0512 3.4010 3.4010 3.4394 3.4394 3.8500 3.8500 3.9154 3.9154 4.2811 4.2811 4.2825 4.2825 4.5636 4.5636 4.5726 4.5726 5.3527 5.3527 5.3798 5.3798 5.6545 5.6545 5.6555 5.6555 9.2578 9.2578 9.2641 9.2641 10.5088 10.5088 10.5188 10.5188 12.6810 12.6810 k = 0.1071 0.4429 0.4447 ( 3544 PWs) bands (ev): -16.7584 -16.7584 -16.7583 -16.7583 -12.5773 -12.5773 -12.5772 -12.5772 -1.6843 -1.6843 -1.6832 -1.6832 -1.0430 -1.0430 -1.0428 -1.0428 -0.3969 -0.3969 -0.3919 -0.3919 0.6726 0.6726 0.6814 0.6814 3.0307 3.0307 3.0468 3.0468 3.3963 3.3963 3.4364 3.4364 3.8488 3.8488 3.9156 3.9156 4.2866 4.2866 4.2890 4.2890 4.5637 4.5637 4.5742 4.5742 5.3549 5.3549 5.3803 5.3803 5.6719 5.6719 5.6734 5.6734 9.2234 9.2234 9.2297 9.2297 10.4996 10.4996 10.5100 10.5100 12.6992 12.6992 k = 0.1161 0.4363 0.4559 ( 3540 PWs) bands (ev): -16.7583 -16.7583 -16.7582 -16.7582 -12.5776 -12.5776 -12.5775 -12.5775 -1.6723 -1.6723 -1.6711 -1.6711 -1.0435 -1.0435 -1.0433 -1.0433 -0.4288 -0.4288 -0.4238 -0.4238 0.6950 0.6950 0.7037 0.7037 3.0269 3.0269 3.0425 3.0425 3.3916 3.3916 3.4330 3.4330 3.8477 3.8477 3.9152 3.9152 4.2920 4.2920 4.2955 4.2955 4.5635 4.5635 4.5755 4.5755 5.3576 5.3576 5.3810 5.3810 5.6894 5.6894 5.6934 5.6934 9.1879 9.1879 9.1940 9.1940 10.4903 10.4903 10.5011 10.5011 12.7179 12.7179 k = 0.1250 0.4296 0.4670 ( 3540 PWs) bands (ev): -16.7582 -16.7582 -16.7581 -16.7581 -12.5778 -12.5778 -12.5777 -12.5777 -1.6597 -1.6597 -1.6585 -1.6585 -1.0441 -1.0441 -1.0439 -1.0439 -0.4602 -0.4602 -0.4554 -0.4554 0.7166 0.7166 0.7252 0.7252 3.0234 3.0234 3.0384 3.0384 3.3870 3.3870 3.4292 3.4292 3.8470 3.8470 3.9143 3.9143 4.2972 4.2972 4.3019 4.3019 4.5632 4.5632 4.5765 4.5765 5.3606 5.3606 5.3818 5.3818 5.7078 5.7078 5.7141 5.7141 9.1517 9.1517 9.1575 9.1575 10.4812 10.4812 10.4920 10.4920 12.7369 12.7369 k = 0.1339 0.4230 0.4781 ( 3548 PWs) bands (ev): -16.7581 -16.7581 -16.7580 -16.7580 -12.5781 -12.5781 -12.5780 -12.5780 -1.6466 -1.6466 -1.6453 -1.6453 -1.0450 -1.0450 -1.0448 -1.0448 -0.4910 -0.4910 -0.4864 -0.4864 0.7374 0.7374 0.7458 0.7458 3.0203 3.0203 3.0345 3.0345 3.3824 3.3824 3.4249 3.4249 3.8464 3.8464 3.9128 3.9128 4.3022 4.3022 4.3081 4.3081 4.5626 4.5626 4.5772 4.5772 5.3638 5.3638 5.3826 5.3826 5.7270 5.7270 5.7353 5.7353 9.1152 9.1152 9.1207 9.1207 10.4722 10.4722 10.4830 10.4830 12.7559 12.7559 k = 0.1429 0.4164 0.4892 ( 3548 PWs) bands (ev): -16.7580 -16.7580 -16.7579 -16.7579 -12.5783 -12.5783 -12.5782 -12.5782 -1.6330 -1.6330 -1.6317 -1.6317 -1.0462 -1.0462 -1.0460 -1.0460 -0.5209 -0.5209 -0.5165 -0.5165 0.7571 0.7571 0.7652 0.7652 3.0177 3.0177 3.0309 3.0309 3.3781 3.3781 3.4202 3.4202 3.8462 3.8462 3.9108 3.9108 4.3071 4.3071 4.3140 4.3140 4.5620 4.5620 4.5775 4.5775 5.3671 5.3671 5.3836 5.3836 5.7467 5.7467 5.7568 5.7568 9.0789 9.0789 9.0839 9.0839 10.4635 10.4635 10.4742 10.4742 12.7747 12.7747 k = 0.1518 0.4098 0.5003 ( 3550 PWs) bands (ev): -16.7579 -16.7579 -16.7578 -16.7578 -12.5785 -12.5785 -12.5785 -12.5785 -1.6192 -1.6192 -1.6179 -1.6179 -1.0476 -1.0476 -1.0474 -1.0474 -0.5496 -0.5496 -0.5454 -0.5454 0.7757 0.7757 0.7835 0.7835 3.0156 3.0156 3.0277 3.0277 3.3739 3.3739 3.4153 3.4153 3.8462 3.8462 3.9084 3.9084 4.3117 4.3117 4.3195 4.3195 4.5614 4.5614 4.5774 4.5774 5.3704 5.3704 5.3847 5.3847 5.7669 5.7669 5.7783 5.7783 9.0431 9.0431 9.0477 9.0477 10.4552 10.4552 10.4656 10.4656 12.7930 12.7930 k = 0.1607 0.4031 0.5115 ( 3544 PWs) bands (ev): -16.7579 -16.7579 -16.7578 -16.7578 -12.5788 -12.5788 -12.5787 -12.5787 -1.6053 -1.6053 -1.6039 -1.6039 -1.0494 -1.0494 -1.0492 -1.0492 -0.5769 -0.5769 -0.5729 -0.5729 0.7931 0.7931 0.8004 0.8004 3.0139 3.0139 3.0249 3.0249 3.3701 3.3701 3.4101 3.4101 3.8466 3.8466 3.9056 3.9056 4.3161 4.3161 4.3246 4.3246 4.5607 4.5607 4.5770 4.5770 5.3737 5.3737 5.3859 5.3859 5.7871 5.7871 5.7994 5.7994 9.0084 9.0084 9.0126 9.0126 10.4474 10.4474 10.4573 10.4573 12.8108 12.8109 k = 0.1696 0.3965 0.5226 ( 3546 PWs) bands (ev): -16.7578 -16.7578 -16.7577 -16.7577 -12.5790 -12.5790 -12.5789 -12.5789 -1.5914 -1.5914 -1.5901 -1.5901 -1.0514 -1.0514 -1.0513 -1.0513 -0.6025 -0.6025 -0.5988 -0.5988 0.8091 0.8091 0.8159 0.8159 3.0126 3.0126 3.0224 3.0224 3.3667 3.3667 3.4047 3.4047 3.8473 3.8473 3.9024 3.9024 4.3203 4.3203 4.3292 4.3292 4.5600 4.5600 4.5762 4.5762 5.3769 5.3769 5.3870 5.3870 5.8070 5.8070 5.8198 5.8198 8.9753 8.9753 8.9789 8.9789 10.4402 10.4402 10.4495 10.4495 12.8278 12.8278 k = 0.1786 0.3899 0.5337 ( 3542 PWs) bands (ev): -16.7577 -16.7577 -16.7576 -16.7576 -12.5792 -12.5792 -12.5791 -12.5791 -1.5778 -1.5778 -1.5765 -1.5765 -1.0538 -1.0538 -1.0537 -1.0537 -0.6261 -0.6261 -0.6228 -0.6228 0.8237 0.8237 0.8299 0.8299 3.0116 3.0116 3.0202 3.0202 3.3636 3.3636 3.3992 3.3992 3.8483 3.8483 3.8990 3.8990 4.3242 4.3242 4.3332 4.3332 4.5595 4.5595 4.5752 4.5752 5.3799 5.3799 5.3882 5.3882 5.8264 5.8264 5.8391 5.8391 8.9441 8.9441 8.9472 8.9472 10.4336 10.4336 10.4422 10.4422 12.8436 12.8437 k = 0.1875 0.3833 0.5448 ( 3546 PWs) bands (ev): -16.7576 -16.7576 -16.7575 -16.7575 -12.5794 -12.5794 -12.5793 -12.5793 -1.5647 -1.5647 -1.5635 -1.5635 -1.0564 -1.0564 -1.0563 -1.0563 -0.6476 -0.6476 -0.6446 -0.6446 0.8368 0.8368 0.8423 0.8423 3.0111 3.0111 3.0184 3.0184 3.3611 3.3611 3.3936 3.3936 3.8496 3.8496 3.8953 3.8953 4.3279 4.3279 4.3367 4.3367 4.5590 4.5590 4.5739 4.5739 5.3826 5.3826 5.3893 5.3893 5.8449 5.8449 5.8571 5.8571 8.9152 8.9152 8.9179 8.9179 10.4277 10.4277 10.4355 10.4355 12.8581 12.8582 k = 0.1964 0.3766 0.5559 ( 3542 PWs) bands (ev): -16.7576 -16.7576 -16.7575 -16.7575 -12.5795 -12.5795 -12.5794 -12.5794 -1.5524 -1.5524 -1.5513 -1.5513 -1.0593 -1.0593 -1.0592 -1.0592 -0.6666 -0.6666 -0.6640 -0.6640 0.8483 0.8483 0.8532 0.8532 3.0107 3.0107 3.0169 3.0169 3.3592 3.3592 3.3882 3.3882 3.8513 3.8513 3.8915 3.8915 4.3312 4.3312 4.3396 4.3396 4.5588 4.5588 4.5724 4.5724 5.3850 5.3850 5.3903 5.3903 5.8620 5.8620 5.8733 5.8733 8.8893 8.8893 8.8914 8.8914 10.4225 10.4225 10.4294 10.4294 12.8712 12.8713 k = 0.2054 0.3700 0.5671 ( 3536 PWs) bands (ev): -16.7575 -16.7575 -16.7574 -16.7574 -12.5797 -12.5797 -12.5796 -12.5796 -1.5412 -1.5412 -1.5402 -1.5402 -1.0621 -1.0621 -1.0621 -1.0621 -0.6830 -0.6830 -0.6808 -0.6808 0.8582 0.8582 0.8624 0.8624 3.0107 3.0107 3.0157 3.0157 3.3580 3.3580 3.3829 3.3829 3.8533 3.8533 3.8875 3.8875 4.3343 4.3343 4.3419 4.3419 4.5588 4.5588 4.5708 4.5708 5.3871 5.3871 5.3912 5.3912 5.8775 5.8775 5.8875 5.8875 8.8666 8.8666 8.8683 8.8683 10.4182 10.4182 10.4241 10.4241 12.8827 12.8829 k = 0.2143 0.3634 0.5782 ( 3540 PWs) bands (ev): -16.7575 -16.7575 -16.7574 -16.7574 -12.5798 -12.5798 -12.5797 -12.5797 -1.5315 -1.5315 -1.5306 -1.5306 -1.0649 -1.0649 -1.0648 -1.0648 -0.6966 -0.6966 -0.6948 -0.6948 0.8665 0.8665 0.8698 0.8698 3.0108 3.0108 3.0147 3.0147 3.3574 3.3574 3.3778 3.3778 3.8557 3.8557 3.8835 3.8835 4.3371 4.3371 4.3435 4.3435 4.5591 4.5591 4.5691 4.5691 5.3889 5.3889 5.3920 5.3920 5.8909 5.8909 5.8993 5.8993 8.8474 8.8474 8.8487 8.8487 10.4147 10.4147 10.4195 10.4195 12.8924 12.8930 k = 0.2232 0.3567 0.5893 ( 3542 PWs) bands (ev): -16.7575 -16.7575 -16.7574 -16.7574 -12.5799 -12.5799 -12.5798 -12.5798 -1.5234 -1.5234 -1.5228 -1.5228 -1.0673 -1.0673 -1.0673 -1.0673 -0.7073 -0.7073 -0.7059 -0.7059 0.8731 0.8731 0.8756 0.8756 3.0110 3.0110 3.0139 3.0139 3.3575 3.3575 3.3731 3.3731 3.8583 3.8583 3.8794 3.8794 4.3395 4.3395 4.3446 4.3446 4.5596 4.5596 4.5674 4.5674 5.3903 5.3903 5.3925 5.3925 5.9019 5.9019 5.9085 5.9085 8.8322 8.8322 8.8332 8.8332 10.4121 10.4121 10.4158 10.4158 12.9006 12.9007 k = 0.2321 0.3501 0.6004 ( 3538 PWs) bands (ev): -16.7574 -16.7574 -16.7573 -16.7573 -12.5800 -12.5800 -12.5799 -12.5799 -1.5174 -1.5174 -1.5169 -1.5169 -1.0693 -1.0693 -1.0692 -1.0692 -0.7149 -0.7149 -0.7140 -0.7140 0.8779 0.8779 0.8796 0.8796 3.0113 3.0113 3.0132 3.0132 3.3584 3.3584 3.3690 3.3690 3.8613 3.8613 3.8755 3.8755 4.3415 4.3415 4.3450 4.3450 4.5604 4.5604 4.5657 4.5657 5.3915 5.3915 5.3929 5.3929 5.9104 5.9104 5.9149 5.9149 8.8212 8.8212 8.8218 8.8218 10.4104 10.4104 10.4129 10.4129 12.9058 12.9060 k = 0.2411 0.3435 0.6115 ( 3532 PWs) bands (ev): -16.7574 -16.7574 -16.7573 -16.7573 -12.5800 -12.5800 -12.5799 -12.5799 -1.5136 -1.5136 -1.5134 -1.5134 -1.0705 -1.0705 -1.0705 -1.0705 -0.7194 -0.7194 -0.7189 -0.7189 0.8810 0.8810 0.8818 0.8818 3.0117 3.0117 3.0127 3.0127 3.3600 3.3600 3.3653 3.3653 3.8645 3.8645 3.8717 3.8717 4.3431 4.3431 4.3449 4.3449 4.5614 4.5614 4.5641 4.5641 5.3923 5.3923 5.3929 5.3929 5.9161 5.9161 5.9183 5.9183 8.8146 8.8146 8.8149 8.8149 10.4097 10.4097 10.4109 10.4109 12.9094 12.9096 k = 0.2500 0.3369 0.6226 ( 3524 PWs) bands (ev): -16.7574 -16.7574 -16.7573 -16.7573 -12.5800 -12.5800 -12.5799 -12.5799 -1.5123 -1.5123 -1.5122 -1.5122 -1.0710 -1.0710 -1.0709 -1.0709 -0.7207 -0.7207 -0.7207 -0.7207 0.8823 0.8823 0.8823 0.8823 3.0122 3.0122 3.0122 3.0122 3.3624 3.3624 3.3624 3.3624 3.8680 3.8680 3.8680 3.8680 4.3443 4.3443 4.3443 4.3443 4.5627 4.5627 4.5627 4.5627 5.3928 5.3928 5.3928 5.3928 5.9187 5.9187 5.9187 5.9187 8.8124 8.8124 8.8125 8.8125 10.4098 10.4098 10.4099 10.4099 12.9106 12.9106 k = 0.2500 0.3369 0.6226 ( 3524 PWs) bands (ev): -16.7574 -16.7574 -16.7573 -16.7573 -12.5800 -12.5800 -12.5799 -12.5799 -1.5123 -1.5123 -1.5122 -1.5122 -1.0710 -1.0710 -1.0709 -1.0709 -0.7207 -0.7207 -0.7207 -0.7207 0.8823 0.8823 0.8823 0.8823 3.0122 3.0122 3.0122 3.0122 3.3624 3.3624 3.3624 3.3624 3.8680 3.8680 3.8680 3.8680 4.3443 4.3443 4.3443 4.3443 4.5627 4.5627 4.5627 4.5627 5.3928 5.3928 5.3928 5.3928 5.9187 5.9187 5.9187 5.9187 8.8124 8.8124 8.8125 8.8125 10.4098 10.4098 10.4099 10.4099 12.9106 12.9106 k = 0.2557 0.3445 0.6098 ( 3536 PWs) bands (ev): -16.7611 -16.7611 -16.7536 -16.7536 -12.5807 -12.5807 -12.5792 -12.5792 -1.5203 -1.5203 -1.5059 -1.5059 -1.0921 -1.0921 -1.0498 -1.0498 -0.7241 -0.7241 -0.7145 -0.7145 0.8769 0.8769 0.8867 0.8867 2.9937 2.9937 3.0305 3.0305 3.3551 3.3551 3.3697 3.3697 3.8534 3.8534 3.8826 3.8826 4.3362 4.3362 4.3520 4.3520 4.5613 4.5613 4.5643 4.5643 5.3841 5.3841 5.4021 5.4021 5.8873 5.8873 5.9477 5.9477 8.7917 8.7917 8.8366 8.8366 10.3824 10.3824 10.4381 10.4381 12.8999 12.8999 k = 0.2614 0.3522 0.5970 ( 3540 PWs) bands (ev): -16.7647 -16.7647 -16.7500 -16.7500 -12.5814 -12.5814 -12.5785 -12.5785 -1.5280 -1.5280 -1.5031 -1.5031 -1.1143 -1.1143 -1.0272 -1.0272 -0.7268 -0.7268 -0.7037 -0.7037 0.8715 0.8715 0.8890 0.8890 2.9760 2.9760 3.0478 3.0478 3.3481 3.3481 3.3770 3.3770 3.8392 3.8392 3.8968 3.8968 4.3280 4.3280 4.3596 4.3596 4.5600 4.5600 4.5662 4.5662 5.3762 5.3762 5.4120 5.4120 5.8515 5.8515 5.9763 5.9763 8.7774 8.7774 8.8616 8.8616 10.3554 10.3554 10.4676 10.4676 12.8892 12.8892 k = 0.2670 0.3598 0.5841 ( 3540 PWs) bands (ev): -16.7682 -16.7682 -16.7465 -16.7465 -12.5820 -12.5820 -12.5778 -12.5778 -1.5353 -1.5353 -1.5038 -1.5038 -1.1374 -1.1374 -1.0031 -1.0031 -0.7288 -0.7288 -0.6888 -0.6888 0.8663 0.8663 0.8892 0.8892 2.9592 2.9592 3.0640 3.0640 3.3414 3.3414 3.3840 3.3840 3.8257 3.8257 3.9107 3.9107 4.3196 4.3196 4.3668 4.3668 4.5588 4.5588 4.5684 4.5684 5.3692 5.3692 5.4226 5.4226 5.8114 5.8114 6.0044 6.0044 8.7695 8.7695 8.8872 8.8872 10.3289 10.3289 10.4980 10.4980 12.8794 12.8794 k = 0.2727 0.3675 0.5713 ( 3542 PWs) bands (ev): -16.7716 -16.7716 -16.7431 -16.7431 -12.5827 -12.5827 -12.5770 -12.5770 -1.5421 -1.5421 -1.5078 -1.5078 -1.1611 -1.1611 -0.9774 -0.9774 -0.7302 -0.7302 -0.6702 -0.6702 0.8612 0.8612 0.8875 0.8875 2.9436 2.9436 3.0786 3.0786 3.3349 3.3349 3.3905 3.3905 3.8132 3.8132 3.9240 3.9240 4.3111 4.3111 4.3736 4.3736 4.5576 4.5576 4.5707 4.5707 5.3633 5.3633 5.4339 5.4339 5.7674 5.7674 6.0318 6.0318 8.7679 8.7679 8.9135 8.9135 10.3030 10.3030 10.5291 10.5291 12.8711 12.8711 k = 0.2784 0.3752 0.5584 ( 3540 PWs) bands (ev): -16.7748 -16.7748 -16.7399 -16.7399 -12.5833 -12.5833 -12.5763 -12.5763 -1.5484 -1.5484 -1.5145 -1.5145 -1.1855 -1.1855 -0.9500 -0.9500 -0.7310 -0.7310 -0.6486 -0.6486 0.8562 0.8562 0.8839 0.8839 2.9294 2.9294 3.0914 3.0914 3.3288 3.3288 3.3963 3.3963 3.8019 3.8019 3.9368 3.9368 4.3024 4.3024 4.3798 4.3798 4.5562 4.5562 4.5731 4.5731 5.3587 5.3587 5.4456 5.4456 5.7201 5.7201 6.0583 6.0583 8.7727 8.7727 8.9404 8.9404 10.2779 10.2779 10.5604 10.5604 12.8646 12.8646 k = 0.2841 0.3828 0.5456 ( 3537 PWs) bands (ev): -16.7780 -16.7780 -16.7367 -16.7367 -12.5839 -12.5839 -12.5756 -12.5756 -1.5543 -1.5543 -1.5235 -1.5235 -1.2104 -1.2104 -0.9213 -0.9213 -0.7312 -0.7312 -0.6244 -0.6244 0.8512 0.8512 0.8786 0.8786 2.9165 2.9165 3.1022 3.1022 3.3231 3.3231 3.4013 3.4013 3.7922 3.7922 3.9489 3.9489 4.2936 4.2936 4.3854 4.3854 4.5545 4.5545 4.5754 4.5754 5.3553 5.3553 5.4574 5.4574 5.6701 5.6701 6.0838 6.0838 8.7835 8.7835 8.9679 8.9679 10.2538 10.2538 10.5917 10.5917 12.8604 12.8604 k = 0.2898 0.3905 0.5327 ( 3539 PWs) bands (ev): -16.7810 -16.7810 -16.7337 -16.7337 -12.5844 -12.5844 -12.5750 -12.5750 -1.5595 -1.5595 -1.5342 -1.5342 -1.2358 -1.2358 -0.8916 -0.8916 -0.7308 -0.7308 -0.5980 -0.5980 0.8464 0.8464 0.8715 0.8715 2.9052 2.9052 3.1104 3.1104 3.3179 3.3179 3.4056 3.4056 3.7844 3.7844 3.9602 3.9602 4.2847 4.2847 4.3904 4.3904 4.5523 4.5523 4.5775 4.5775 5.3533 5.3533 5.4684 5.4684 5.6189 5.6189 6.1081 6.1081 8.8001 8.8001 8.9957 8.9957 10.2310 10.2310 10.6226 10.6226 12.8587 12.8587 k = 0.2955 0.3981 0.5199 ( 3543 PWs) bands (ev): -16.7838 -16.7838 -16.7307 -16.7307 -12.5850 -12.5850 -12.5743 -12.5743 -1.5642 -1.5642 -1.5461 -1.5461 -1.2614 -1.2614 -0.8613 -0.8613 -0.7295 -0.7295 -0.5698 -0.5698 0.8415 0.8415 0.8629 0.8629 2.8954 2.8954 3.1157 3.1157 3.3133 3.3133 3.4092 3.4092 3.7785 3.7785 3.9708 3.9708 4.2758 4.2758 4.3948 4.3948 4.5497 4.5497 4.5793 4.5793 5.3526 5.3526 5.4752 5.4752 5.5704 5.5704 6.1312 6.1312 8.8225 8.8225 9.0238 9.0238 10.2098 10.2098 10.6529 10.6529 12.8598 12.8598 k = 0.3011 0.4058 0.5070 ( 3543 PWs) bands (ev): -16.7866 -16.7866 -16.7279 -16.7279 -12.5855 -12.5855 -12.5738 -12.5738 -1.5684 -1.5684 -1.5588 -1.5588 -1.2873 -1.2873 -0.8310 -0.8310 -0.7270 -0.7270 -0.5401 -0.5401 0.8365 0.8365 0.8530 0.8530 2.8872 2.8872 3.1177 3.1177 3.3093 3.3093 3.4126 3.4126 3.7748 3.7748 3.9805 3.9805 4.2668 4.2668 4.3987 4.3987 4.5465 4.5465 4.5806 4.5806 5.3525 5.3525 5.4643 5.4643 5.5391 5.5391 6.1528 6.1528 8.8502 8.8502 9.0518 9.0518 10.1905 10.1905 10.6824 10.6824 12.8636 12.8636 k = 0.3068 0.4134 0.4942 ( 3545 PWs) bands (ev): -16.7892 -16.7892 -16.7252 -16.7252 -12.5860 -12.5860 -12.5732 -12.5732 -1.5732 -1.5732 -1.5707 -1.5707 -1.3133 -1.3133 -0.8017 -0.8017 -0.7227 -0.7227 -0.5091 -0.5091 0.8310 0.8310 0.8423 0.8423 2.8805 2.8805 3.1161 3.1161 3.3060 3.3060 3.4162 3.4162 3.7730 3.7730 3.9894 3.9894 4.2578 4.2578 4.4019 4.4019 4.5425 4.5425 4.5813 4.5813 5.3507 5.3507 5.4262 5.4262 5.5376 5.5376 6.1729 6.1729 8.8830 8.8830 9.0794 9.0794 10.1734 10.1734 10.7108 10.7108 12.8702 12.8703 k = 0.3125 0.4211 0.4813 ( 3547 PWs) bands (ev): -16.7916 -16.7916 -16.7227 -16.7227 -12.5864 -12.5864 -12.5727 -12.5727 -1.5859 -1.5859 -1.5744 -1.5744 -1.3394 -1.3394 -0.7754 -0.7754 -0.7146 -0.7146 -0.4772 -0.4772 0.8231 0.8231 0.8328 0.8328 2.8753 2.8753 3.1107 3.1107 3.3035 3.3035 3.4205 3.4205 3.7730 3.7730 3.9973 3.9973 4.2488 4.2488 4.4047 4.4047 4.5379 4.5379 4.5811 4.5811 5.3340 5.3340 5.3916 5.3916 5.5484 5.5484 6.1915 6.1915 8.9207 8.9207 9.1062 9.1062 10.1590 10.1590 10.7379 10.7379 12.8783 12.8783 k = 0.3182 0.4287 0.4685 ( 3548 PWs) bands (ev): -16.7939 -16.7939 -16.7202 -16.7202 -12.5868 -12.5868 -12.5723 -12.5723 -1.5993 -1.5993 -1.5766 -1.5766 -1.3654 -1.3654 -0.7556 -0.7556 -0.6997 -0.6997 -0.4446 -0.4446 0.8110 0.8110 0.8265 0.8265 2.8713 2.8713 3.1015 3.1015 3.3018 3.3018 3.4257 3.4257 3.7746 3.7746 4.0043 4.0043 4.2397 4.2397 4.4070 4.4070 4.5324 4.5324 4.5801 4.5801 5.2874 5.2874 5.3850 5.3850 5.5625 5.5625 6.2083 6.2083 8.9629 8.9629 9.1317 9.1317 10.1478 10.1478 10.7637 10.7637 12.8696 12.8696 k = 0.3239 0.4364 0.4556 ( 3546 PWs) bands (ev): -16.7961 -16.7961 -16.7179 -16.7179 -12.5872 -12.5872 -12.5720 -12.5720 -1.6127 -1.6127 -1.5781 -1.5781 -1.3911 -1.3911 -0.7435 -0.7435 -0.6769 -0.6769 -0.4114 -0.4114 0.7966 0.7966 0.8217 0.8217 2.8683 2.8683 3.0890 3.0890 3.3011 3.3011 3.4323 3.4323 3.7775 3.7775 4.0104 4.0104 4.2306 4.2306 4.4088 4.4088 4.5262 4.5262 4.5782 4.5782 5.2294 5.2294 5.3901 5.3901 5.5780 5.5780 6.2234 6.2234 9.0095 9.0095 9.1554 9.1554 10.1403 10.1403 10.7879 10.7879 12.8556 12.8556 k = 0.3295 0.4441 0.4428 ( 3550 PWs) bands (ev): -16.7981 -16.7981 -16.7156 -16.7156 -12.5876 -12.5876 -12.5717 -12.5717 -1.6258 -1.6258 -1.5789 -1.5789 -1.4166 -1.4166 -0.7360 -0.7360 -0.6493 -0.6493 -0.3781 -0.3781 0.7810 0.7810 0.8174 0.8174 2.8655 2.8655 3.0739 3.0739 3.3014 3.3014 3.4401 3.4401 3.7814 3.7814 4.0155 4.0155 4.2215 4.2215 4.4101 4.4101 4.5191 4.5191 4.5752 4.5752 5.1688 5.1688 5.3991 5.3991 5.5940 5.5940 6.2366 6.2366 9.0600 9.0600 9.1767 9.1767 10.1370 10.1370 10.8106 10.8106 12.8406 12.8406 k = 0.3352 0.4517 0.4299 ( 3548 PWs) bands (ev): -16.8000 -16.8000 -16.7135 -16.7135 -12.5879 -12.5879 -12.5715 -12.5715 -1.6387 -1.6387 -1.5791 -1.5791 -1.4415 -1.4415 -0.7303 -0.7303 -0.6200 -0.6200 -0.3448 -0.3448 0.7645 0.7645 0.8134 0.8134 2.8623 2.8623 3.0573 3.0573 3.3027 3.3027 3.4492 3.4492 3.7860 3.7860 4.0198 4.0198 4.2123 4.2123 4.4110 4.4110 4.5114 4.5114 4.5712 4.5712 5.1078 5.1078 5.4105 5.4105 5.6102 5.6102 6.2480 6.2480 9.1144 9.1144 9.1951 9.1951 10.1384 10.1384 10.8316 10.8316 12.8248 12.8248 k = 0.3409 0.4594 0.4171 ( 3548 PWs) bands (ev): -16.8018 -16.8018 -16.7115 -16.7115 -12.5882 -12.5882 -12.5713 -12.5713 -1.6513 -1.6513 -1.5786 -1.5786 -1.4656 -1.4656 -0.7253 -0.7253 -0.5903 -0.5903 -0.3118 -0.3118 0.7476 0.7476 0.8096 0.8096 2.8570 2.8570 3.0412 3.0412 3.3053 3.3053 3.4593 3.4593 3.7910 3.7910 4.0231 4.0231 4.2031 4.2031 4.4114 4.4114 4.5029 4.5029 4.5662 4.5662 5.0474 5.0474 5.4235 5.4235 5.6265 5.6265 6.2574 6.2574 9.1723 9.1723 9.2100 9.2100 10.1449 10.1449 10.8509 10.8509 12.8085 12.8085 k = 0.3466 0.4670 0.4042 ( 3549 PWs) bands (ev): -16.8035 -16.8035 -16.7095 -16.7095 -12.5884 -12.5884 -12.5713 -12.5713 -1.6639 -1.6639 -1.5774 -1.5774 -1.4887 -1.4887 -0.7204 -0.7204 -0.5607 -0.5607 -0.2794 -0.2794 0.7305 0.7305 0.8060 0.8060 2.8480 2.8480 3.0277 3.0277 3.3090 3.3090 3.4704 3.4704 3.7962 3.7962 4.0255 4.0255 4.1939 4.1939 4.4110 4.4110 4.4940 4.4940 4.5604 4.5604 4.9881 4.9881 5.4379 5.4379 5.6426 5.6426 6.2648 6.2648 9.2202 9.2202 9.2343 9.2343 10.1568 10.1568 10.8686 10.8686 12.7917 12.7917 k = 0.3523 0.4747 0.3914 ( 3548 PWs) bands (ev): -16.8050 -16.8050 -16.7077 -16.7077 -12.5886 -12.5886 -12.5713 -12.5713 -1.6766 -1.6766 -1.5755 -1.5755 -1.5104 -1.5104 -0.7154 -0.7154 -0.5315 -0.5315 -0.2481 -0.2481 0.7135 0.7135 0.8027 0.8027 2.8332 2.8332 3.0190 3.0190 3.3139 3.3139 3.4822 3.4822 3.8014 3.8014 4.0271 4.0271 4.1846 4.1846 4.4096 4.4096 4.4848 4.4848 4.5536 4.5536 4.9305 4.9305 5.4535 5.4535 5.6584 5.6584 6.2703 6.2703 9.2274 9.2274 9.2983 9.2983 10.1743 10.1743 10.8847 10.8847 12.7747 12.7747 k = 0.3580 0.4823 0.3786 ( 3549 PWs) bands (ev): -16.8063 -16.8063 -16.7060 -16.7060 -12.5888 -12.5888 -12.5714 -12.5714 -1.6897 -1.6897 -1.5730 -1.5730 -1.5303 -1.5303 -0.7103 -0.7103 -0.5031 -0.5031 -0.2180 -0.2180 0.6968 0.6968 0.7995 0.7995 2.8117 2.8117 3.0165 3.0165 3.3201 3.3201 3.4945 3.4945 3.8064 3.8064 4.0279 4.0279 4.1752 4.1752 4.4070 4.4070 4.4755 4.4755 4.5462 4.5462 4.8750 4.8750 5.4701 5.4701 5.6737 5.6737 6.2737 6.2737 9.2299 9.2299 9.3655 9.3655 10.1973 10.1973 10.8991 10.8991 12.7574 12.7574 k = 0.3636 0.4900 0.3657 ( 3549 PWs) bands (ev): -16.8076 -16.8076 -16.7044 -16.7044 -12.5889 -12.5889 -12.5716 -12.5716 -1.7035 -1.7035 -1.5700 -1.5700 -1.5479 -1.5479 -0.7050 -0.7050 -0.4753 -0.4753 -0.1897 -0.1897 0.6809 0.6809 0.7966 0.7966 2.7837 2.7837 3.0202 3.0202 3.3275 3.3275 3.5071 3.5071 3.8110 3.8110 4.0279 4.0279 4.1658 4.1658 4.4027 4.4027 4.4665 4.4665 4.5383 4.5383 4.8222 4.8222 5.4875 5.4875 5.6886 5.6886 6.2751 6.2751 9.2282 9.2282 9.4354 9.4354 10.2255 10.2255 10.9121 10.9121 12.7400 12.7400 k = 0.3693 0.4977 0.3529 ( 3544 PWs) bands (ev): -16.8087 -16.8087 -16.7029 -16.7029 -12.5891 -12.5891 -12.5718 -12.5718 -1.7182 -1.7182 -1.5676 -1.5676 -1.5618 -1.5618 -0.6995 -0.6995 -0.4484 -0.4484 -0.1636 -0.1636 0.6661 0.6661 0.7940 0.7940 2.7505 2.7505 3.0291 3.0291 3.3361 3.3361 3.5200 3.5200 3.8153 3.8153 4.0273 4.0273 4.1562 4.1562 4.3964 4.3964 4.4577 4.4577 4.5303 4.5303 4.7724 4.7724 5.5054 5.5054 5.7029 5.7029 6.2744 6.2744 9.2225 9.2225 9.5079 9.5079 10.2587 10.2587 10.9235 10.9235 12.7225 12.7225 k = 0.3750 0.5053 0.3400 ( 3546 PWs) bands (ev): -16.8097 -16.8097 -16.7015 -16.7015 -12.5891 -12.5891 -12.5722 -12.5722 -1.7340 -1.7340 -1.5764 -1.5764 -1.5611 -1.5611 -0.6939 -0.6939 -0.4224 -0.4224 -0.1400 -0.1400 0.6527 0.6527 0.7917 0.7917 2.7132 2.7132 3.0422 3.0422 3.3458 3.3458 3.5329 3.5329 3.8189 3.8189 4.0259 4.0259 4.1466 4.1466 4.3880 4.3880 4.4490 4.4490 4.5226 4.5226 4.7261 4.7261 5.5238 5.5238 5.7166 5.7166 6.2718 6.2718 9.2131 9.2131 9.5826 9.5826 10.2962 10.2962 10.9336 10.9336 12.7050 12.7050 k = 0.3807 0.5130 0.3272 ( 3550 PWs) bands (ev): -16.8106 -16.8106 -16.7001 -16.7001 -12.5892 -12.5892 -12.5726 -12.5726 -1.7510 -1.7510 -1.5857 -1.5857 -1.5563 -1.5563 -0.6880 -0.6880 -0.3974 -0.3974 -0.1196 -0.1196 0.6414 0.6414 0.7896 0.7896 2.6728 2.6728 3.0586 3.0586 3.3565 3.3565 3.5456 3.5456 3.8219 3.8219 4.0240 4.0240 4.1367 4.1367 4.3775 4.3775 4.4395 4.4395 4.5156 4.5156 4.6838 4.6838 5.5425 5.5425 5.7295 5.7295 6.2672 6.2672 9.2004 9.2004 9.6593 9.6593 10.3376 10.3376 10.9424 10.9424 12.6873 12.6873 k = 0.3864 0.5206 0.3143 ( 3557 PWs) bands (ev): -16.8114 -16.8114 -16.6989 -16.6989 -12.5892 -12.5892 -12.5730 -12.5730 -1.7691 -1.7691 -1.5923 -1.5923 -1.5509 -1.5509 -0.6822 -0.6822 -0.3733 -0.3733 -0.1025 -0.1025 0.6323 0.6323 0.7880 0.7880 2.6302 2.6302 3.0777 3.0777 3.3683 3.3683 3.5581 3.5581 3.8242 3.8242 4.0216 4.0216 4.1267 4.1267 4.3655 4.3655 4.4286 4.4286 4.5097 4.5097 4.6460 4.6460 5.5612 5.5612 5.7416 5.7416 6.2606 6.2606 9.1849 9.1849 9.7380 9.7380 10.3822 10.3822 10.9500 10.9500 12.6696 12.6696 k = 0.3920 0.5283 0.3015 ( 3555 PWs) bands (ev): -16.8120 -16.8120 -16.6978 -16.6978 -12.5892 -12.5892 -12.5736 -12.5736 -1.7879 -1.7879 -1.5962 -1.5962 -1.5450 -1.5450 -0.6763 -0.6763 -0.3503 -0.3503 -0.0893 -0.0893 0.6260 0.6260 0.7867 0.7867 2.5859 2.5859 3.0992 3.0992 3.3809 3.3809 3.5702 3.5702 3.8257 3.8257 4.0188 4.0188 4.1166 4.1166 4.3523 4.3523 4.4156 4.4156 4.5047 4.5047 4.6135 4.6135 5.5800 5.5800 5.7531 5.7531 6.2523 6.2523 9.1669 9.1669 9.8183 9.8183 10.4296 10.4296 10.9565 10.9565 12.6516 12.6516 k = 0.3977 0.5359 0.2886 ( 3549 PWs) bands (ev): -16.8126 -16.8126 -16.6967 -16.6967 -12.5892 -12.5892 -12.5742 -12.5742 -1.8073 -1.8073 -1.5977 -1.5977 -1.5386 -1.5386 -0.6704 -0.6704 -0.3283 -0.3283 -0.0802 -0.0802 0.6226 0.6226 0.7858 0.7858 2.5404 2.5404 3.1226 3.1226 3.3943 3.3943 3.5817 3.5817 3.8266 3.8266 4.0156 4.0156 4.1063 4.1063 4.3383 4.3383 4.4005 4.4005 4.4998 4.4998 4.5871 4.5871 5.5985 5.5985 5.7637 5.7637 6.2422 6.2422 9.1468 9.1468 9.9001 9.9001 10.4792 10.4792 10.9622 10.9622 12.6334 12.6334 k = 0.4034 0.5436 0.2758 ( 3555 PWs) bands (ev): -16.8131 -16.8131 -16.6957 -16.6957 -12.5891 -12.5891 -12.5748 -12.5748 -1.8269 -1.8269 -1.5971 -1.5971 -1.5317 -1.5317 -0.6647 -0.6647 -0.3074 -0.3074 -0.0752 -0.0752 0.6224 0.6224 0.7853 0.7853 2.4942 2.4942 3.1475 3.1475 3.4083 3.4083 3.5925 3.5925 3.8265 3.8265 4.0121 4.0121 4.0959 4.0959 4.3237 4.3237 4.3839 4.3839 4.4931 4.4931 4.5678 4.5678 5.6168 5.6168 5.7736 5.7736 6.2304 6.2304 9.1249 9.1249 9.9831 9.9831 10.5306 10.5306 10.9670 10.9670 12.6148 12.6148 k = 0.4091 0.5512 0.2629 ( 3549 PWs) bands (ev): -16.8134 -16.8134 -16.6949 -16.6949 -12.5891 -12.5891 -12.5755 -12.5755 -1.8465 -1.8465 -1.5944 -1.5944 -1.5246 -1.5246 -0.6592 -0.6592 -0.2876 -0.2876 -0.0744 -0.0744 0.6252 0.6252 0.7852 0.7852 2.4474 2.4474 3.1740 3.1740 3.4227 3.4227 3.6024 3.6024 3.8258 3.8258 4.0084 4.0084 4.0857 4.0857 4.3088 4.3088 4.3666 4.3666 4.4832 4.4832 4.5567 4.5567 5.6346 5.6346 5.7827 5.7827 6.2172 6.2172 9.1016 9.1016 10.0672 10.0672 10.5833 10.5833 10.9712 10.9712 12.5956 12.5956 k = 0.4148 0.5589 0.2501 ( 3548 PWs) bands (ev): -16.8137 -16.8137 -16.6941 -16.6941 -12.5890 -12.5890 -12.5762 -12.5762 -1.8659 -1.8659 -1.5901 -1.5901 -1.5170 -1.5170 -0.6540 -0.6540 -0.2689 -0.2689 -0.0775 -0.0775 0.6310 0.6310 0.7856 0.7856 2.4005 2.4005 3.2016 3.2016 3.4375 3.4375 3.6114 3.6114 3.8243 3.8243 4.0045 4.0045 4.0757 4.0757 4.2936 4.2936 4.3495 4.3495 4.4701 4.4701 4.5527 4.5527 5.6518 5.6518 5.7910 5.7910 6.2025 6.2025 9.0772 9.0772 10.1521 10.1521 10.6368 10.6368 10.9749 10.9749 12.5758 12.5758 k = 0.4205 0.5666 0.2372 ( 3550 PWs) bands (ev): -16.8139 -16.8139 -16.6934 -16.6934 -12.5889 -12.5889 -12.5769 -12.5769 -1.8848 -1.8848 -1.5841 -1.5841 -1.5093 -1.5093 -0.6493 -0.6493 -0.2514 -0.2514 -0.0841 -0.0841 0.6394 0.6394 0.7864 0.7864 2.3537 2.3537 3.2301 3.2301 3.4525 3.4525 3.6192 3.6192 3.8220 3.8220 4.0004 4.0004 4.0662 4.0662 4.2782 4.2782 4.3333 4.3333 4.4551 4.4551 4.5535 4.5535 5.6684 5.6684 5.7986 5.7986 6.1868 6.1868 9.0519 9.0519 10.2377 10.2377 10.6909 10.6909 10.9785 10.9785 12.5551 12.5551 k = 0.4261 0.5742 0.2244 ( 3550 PWs) bands (ev): -16.8141 -16.8141 -16.6927 -16.6927 -12.5887 -12.5887 -12.5777 -12.5777 -1.9031 -1.9031 -1.5767 -1.5767 -1.5014 -1.5014 -0.6451 -0.6451 -0.2350 -0.2350 -0.0937 -0.0937 0.6500 0.6500 0.7877 0.7877 2.3074 2.3074 3.2594 3.2594 3.4676 3.4676 3.6257 3.6257 3.8190 3.8190 3.9963 3.9963 4.0576 4.0576 4.2626 4.2626 4.3186 4.3186 4.4395 4.4395 4.5575 4.5575 5.6842 5.6842 5.8055 5.8055 6.1700 6.1700 9.0259 9.0259 10.3237 10.3237 10.7448 10.7448 10.9822 10.9822 12.5333 12.5333 k = 0.4318 0.5819 0.2115 ( 3544 PWs) bands (ev): -16.8141 -16.8141 -16.6922 -16.6922 -12.5886 -12.5886 -12.5785 -12.5785 -1.9207 -1.9207 -1.5681 -1.5681 -1.4933 -1.4933 -0.6416 -0.6416 -0.2198 -0.2198 -0.1057 -0.1057 0.6624 0.6624 0.7894 0.7894 2.2618 2.2618 3.2893 3.2893 3.4825 3.4825 3.6309 3.6309 3.8151 3.8151 3.9924 3.9924 4.0502 4.0502 4.2467 4.2467 4.3058 4.3058 4.4238 4.4238 4.5633 4.5633 5.6990 5.6990 5.8118 5.8118 6.1525 6.1525 8.9996 8.9996 10.4099 10.4099 10.7979 10.7979 10.9867 10.9867 12.5104 12.5104 k = 0.4375 0.5895 0.1987 ( 3542 PWs) bands (ev): -16.8141 -16.8141 -16.6917 -16.6917 -12.5885 -12.5885 -12.5793 -12.5793 -1.9375 -1.9375 -1.5584 -1.5584 -1.4852 -1.4852 -0.6390 -0.6390 -0.2058 -0.2058 -0.1196 -0.1196 0.6761 0.6761 0.7916 0.7916 2.2172 2.2172 3.3195 3.3195 3.4971 3.4971 3.6347 3.6347 3.8104 3.8104 3.9887 3.9887 4.0441 4.0441 4.2307 4.2307 4.2947 4.2947 4.4084 4.4084 4.5704 4.5704 5.7129 5.7129 5.8176 5.8176 6.1344 6.1344 8.9732 8.9732 10.4960 10.4960 10.8489 10.8489 10.9933 10.9933 12.4860 12.4860 k = 0.4432 0.5972 0.1858 ( 3544 PWs) bands (ev): -16.8140 -16.8140 -16.6913 -16.6913 -12.5883 -12.5883 -12.5800 -12.5800 -1.9534 -1.9534 -1.5477 -1.5477 -1.4771 -1.4771 -0.6373 -0.6373 -0.1932 -0.1932 -0.1346 -0.1346 0.6907 0.6907 0.7942 0.7942 2.1739 2.1739 3.3500 3.3500 3.5113 3.5113 3.6372 3.6372 3.8049 3.8049 3.9856 3.9856 4.0395 4.0395 4.2147 4.2147 4.2853 4.2853 4.3932 4.3932 4.5783 4.5783 5.7257 5.7257 5.8227 5.8227 6.1161 6.1161 8.9468 8.9468 10.5819 10.5819 10.8947 10.8947 11.0048 11.0048 12.4601 12.4601 k = 0.4489 0.6048 0.1730 ( 3542 PWs) bands (ev): -16.8139 -16.8139 -16.6910 -16.6910 -12.5881 -12.5881 -12.5808 -12.5808 -1.9683 -1.9683 -1.5362 -1.5362 -1.4691 -1.4691 -0.6367 -0.6367 -0.1820 -0.1820 -0.1499 -0.1499 0.7058 0.7058 0.7972 0.7972 2.1320 2.1320 3.3803 3.3803 3.5250 3.5250 3.6384 3.6384 3.7984 3.7984 3.9836 3.9836 4.0363 4.0363 4.1989 4.1989 4.2772 4.2772 4.3785 4.3785 4.5868 4.5868 5.7372 5.7372 5.8275 5.8275 6.0977 6.0977 8.9207 8.9207 10.6672 10.6672 10.9294 10.9294 11.0271 11.0271 12.4324 12.4324 k = 0.4545 0.6125 0.1601 ( 3545 PWs) bands (ev): -16.8137 -16.8137 -16.6908 -16.6908 -12.5880 -12.5880 -12.5815 -12.5815 -1.9821 -1.9821 -1.5240 -1.5240 -1.4612 -1.4612 -0.6373 -0.6373 -0.1754 -0.1754 -0.1621 -0.1621 0.7210 0.7210 0.8006 0.8006 2.0920 2.0920 3.4104 3.4104 3.5381 3.5381 3.6386 3.6386 3.7911 3.7911 3.9826 3.9826 4.0344 4.0344 4.1834 4.1834 4.2703 4.2703 4.3642 4.3642 4.5956 4.5956 5.7475 5.7475 5.8318 5.8318 6.0797 6.0797 8.8951 8.8951 10.7517 10.7517 10.9496 10.9496 11.0634 11.0634 12.4029 12.4029 k = 0.4602 0.6201 0.1473 ( 3546 PWs) bands (ev): -16.8134 -16.8134 -16.6907 -16.6907 -12.5878 -12.5878 -12.5822 -12.5822 -1.9947 -1.9947 -1.5114 -1.5114 -1.4536 -1.4536 -0.6391 -0.6391 -0.1852 -0.1852 -0.1590 -0.1590 0.7359 0.7359 0.8043 0.8043 2.0541 2.0541 3.4401 3.4401 3.5505 3.5505 3.6380 3.6380 3.7831 3.7831 3.9831 3.9831 4.0337 4.0337 4.1682 4.1682 4.2642 4.2642 4.3505 4.3505 4.6044 4.6044 5.7564 5.7564 5.8356 5.8356 6.0623 6.0623 8.8703 8.8703 10.8350 10.8350 10.9600 10.9600 11.1089 11.1089 12.3714 12.3714 k = 0.4659 0.6278 0.1345 ( 3544 PWs) bands (ev): -16.8131 -16.8131 -16.6906 -16.6906 -12.5877 -12.5877 -12.5829 -12.5829 -2.0062 -2.0062 -1.4985 -1.4985 -1.4463 -1.4463 -0.6422 -0.6422 -0.1996 -0.1996 -0.1516 -0.1516 0.7503 0.7503 0.8083 0.8083 2.0185 2.0185 3.4690 3.4690 3.5620 3.5620 3.6367 3.6367 3.7745 3.7745 3.9847 3.9847 4.0340 4.0340 4.1534 4.1534 4.2586 4.2586 4.3376 4.3376 4.6132 4.6132 5.7639 5.7639 5.8391 5.8391 6.0457 6.0457 8.8464 8.8464 10.9165 10.9165 10.9663 10.9663 11.1581 11.1581 12.3378 12.3378 k = 0.4716 0.6355 0.1216 ( 3546 PWs) bands (ev): -16.8128 -16.8128 -16.6906 -16.6906 -12.5875 -12.5875 -12.5835 -12.5835 -2.0164 -2.0164 -1.4855 -1.4855 -1.4393 -1.4393 -0.6465 -0.6465 -0.2138 -0.2138 -0.1449 -0.1449 0.7638 0.7638 0.8126 0.8126 1.9855 1.9855 3.4968 3.4968 3.5727 3.5727 3.6350 3.6350 3.7657 3.7657 3.9875 3.9875 4.0352 4.0352 4.1390 4.1390 4.2532 4.2532 4.3256 4.3256 4.6217 4.6217 5.7701 5.7701 5.8421 5.8421 6.0304 6.0304 8.8236 8.8236 10.9676 10.9676 10.9993 10.9993 11.2080 11.2080 12.3023 12.3023 k = 0.4773 0.6431 0.1088 ( 3548 PWs) bands (ev): -16.8124 -16.8124 -16.6907 -16.6907 -12.5874 -12.5874 -12.5841 -12.5841 -2.0253 -2.0253 -1.4727 -1.4727 -1.4328 -1.4328 -0.6519 -0.6519 -0.2268 -0.2268 -0.1392 -0.1392 0.7764 0.7764 0.8170 0.8170 1.9553 1.9553 3.5235 3.5235 3.5824 3.5824 3.6333 3.6333 3.7567 3.7567 3.9912 3.9912 4.0373 4.0373 4.1252 4.1252 4.2476 4.2476 4.3149 4.3149 4.6296 4.6296 5.7749 5.7749 5.8446 5.8446 6.0166 6.0166 8.8022 8.8022 10.9715 10.9715 11.0763 11.0763 11.2575 11.2575 12.2649 12.2649 k = 0.4830 0.6508 0.0959 ( 3548 PWs) bands (ev): -16.8120 -16.8120 -16.6908 -16.6908 -12.5872 -12.5872 -12.5846 -12.5846 -2.0330 -2.0330 -1.4603 -1.4603 -1.4267 -1.4267 -0.6582 -0.6582 -0.2387 -0.2387 -0.1347 -0.1347 0.7878 0.7878 0.8215 0.8215 1.9283 1.9283 3.5485 3.5485 3.5911 3.5911 3.6318 3.6318 3.7480 3.7480 3.9954 3.9954 4.0400 4.0400 4.1120 4.1120 4.2417 4.2417 4.3056 4.3056 4.6368 4.6368 5.7785 5.7785 5.8465 5.8465 6.0045 6.0045 8.7823 8.7823 10.9739 10.9739 11.1515 11.1515 11.3054 11.3054 12.2257 12.2257 k = 0.4886 0.6584 0.0831 ( 3546 PWs) bands (ev): -16.8116 -16.8116 -16.6910 -16.6910 -12.5871 -12.5871 -12.5850 -12.5850 -2.0392 -2.0392 -1.4486 -1.4486 -1.4211 -1.4211 -0.6651 -0.6651 -0.2492 -0.2492 -0.1313 -0.1313 0.7977 0.7977 0.8262 0.8262 1.9046 1.9046 3.5715 3.5715 3.5987 3.5987 3.6309 3.6309 3.7397 3.7397 3.9999 3.9999 4.0434 4.0434 4.0996 4.0996 4.2353 4.2353 4.2982 4.2982 4.6432 4.6432 5.7811 5.7811 5.8478 5.8478 5.9943 5.9943 8.7641 8.7641 10.9760 10.9760 11.2236 11.2236 11.3511 11.3511 12.1852 12.1852 k = 0.4943 0.6661 0.0702 ( 3538 PWs) bands (ev): -16.8112 -16.8112 -16.6913 -16.6913 -12.5870 -12.5870 -12.5854 -12.5854 -2.0441 -2.0441 -1.4380 -1.4380 -1.4161 -1.4161 -0.6724 -0.6724 -0.2583 -0.2583 -0.1290 -0.1290 0.8061 0.8061 0.8307 0.8307 1.8845 1.8845 3.5916 3.5916 3.6048 3.6048 3.6316 3.6316 3.7320 3.7320 4.0043 4.0043 4.0473 4.0473 4.0881 4.0881 4.2284 4.2284 4.2925 4.2925 4.6485 4.6485 5.7827 5.7827 5.8485 5.8485 5.9860 5.9860 8.7478 8.7478 10.9779 10.9779 11.2914 11.2914 11.3936 11.3936 12.1440 12.1440 k = 0.5000 0.6737 0.0574 ( 3538 PWs) bands (ev): -16.8107 -16.8107 -16.6917 -16.6917 -12.5869 -12.5869 -12.5856 -12.5856 -2.0476 -2.0476 -1.4287 -1.4287 -1.4116 -1.4116 -0.6796 -0.6796 -0.2661 -0.2661 -0.1280 -0.1280 0.8129 0.8129 0.8351 0.8351 1.8682 1.8682 3.6059 3.6059 3.6105 3.6105 3.6354 3.6354 3.7252 3.7252 4.0084 4.0084 4.0511 4.0511 4.0780 4.0780 4.2213 4.2213 4.2887 4.2887 4.6525 4.6525 5.7836 5.7836 5.8487 5.8487 5.9796 5.9796 8.7335 8.7335 10.9797 10.9797 11.3536 11.3536 11.4320 11.4320 12.1031 12.1031 k = 0.5000 0.6737 0.0574 ( 3538 PWs) bands (ev): -16.8107 -16.8107 -16.6917 -16.6917 -12.5869 -12.5869 -12.5856 -12.5856 -2.0476 -2.0476 -1.4287 -1.4287 -1.4116 -1.4116 -0.6796 -0.6796 -0.2661 -0.2661 -0.1280 -0.1280 0.8129 0.8129 0.8351 0.8351 1.8682 1.8682 3.6059 3.6059 3.6105 3.6105 3.6354 3.6354 3.7252 3.7252 4.0084 4.0084 4.0511 4.0511 4.0780 4.0780 4.2213 4.2213 4.2887 4.2887 4.6525 4.6525 5.7836 5.7836 5.8487 5.8487 5.9796 5.9796 8.7335 8.7335 10.9797 10.9797 11.3536 11.3536 11.4320 11.4320 12.1031 12.1031 k = 0.5000 0.6737 0.0430 ( 3538 PWs) bands (ev): -16.8102 -16.8102 -16.6921 -16.6921 -12.5869 -12.5869 -12.5858 -12.5858 -2.0503 -2.0503 -1.4205 -1.4205 -1.4071 -1.4071 -0.6867 -0.6867 -0.2730 -0.2730 -0.1275 -0.1275 0.8187 0.8187 0.8395 0.8395 1.8541 1.8541 3.6104 3.6104 3.6194 3.6194 3.6444 3.6444 3.7186 3.7186 4.0121 4.0121 4.0546 4.0546 4.0692 4.0692 4.2140 4.2140 4.2857 4.2857 4.6559 4.6559 5.7840 5.7840 5.8485 5.8485 5.9745 5.9745 8.7205 8.7205 10.9814 10.9814 11.4143 11.4143 11.4692 11.4692 12.0599 12.0599 k = 0.5000 0.6737 0.0287 ( 3540 PWs) bands (ev): -16.8099 -16.8099 -16.6923 -16.6923 -12.5869 -12.5869 -12.5860 -12.5860 -2.0522 -2.0522 -1.4148 -1.4148 -1.4033 -1.4033 -0.6923 -0.6923 -0.2779 -0.2779 -0.1272 -0.1272 0.8226 0.8226 0.8430 0.8430 1.8439 1.8439 3.6117 3.6117 3.6253 3.6253 3.6544 3.6544 3.7131 3.7131 4.0145 4.0145 4.0565 4.0565 4.0637 4.0637 4.2082 4.2082 4.2837 4.2837 4.6584 4.6584 5.7842 5.7842 5.8483 5.8483 5.9710 5.9710 8.7111 8.7111 10.9826 10.9826 11.4618 11.4618 11.4999 11.4999 12.0229 12.0229 k = 0.5000 0.6737 0.0143 ( 3536 PWs) bands (ev): -16.8097 -16.8097 -16.6925 -16.6925 -12.5869 -12.5869 -12.5860 -12.5860 -2.0534 -2.0534 -1.4117 -1.4117 -1.4007 -1.4007 -0.6959 -0.6959 -0.2808 -0.2808 -0.1270 -0.1270 0.8249 0.8249 0.8453 0.8453 1.8378 1.8378 3.6121 3.6121 3.6285 3.6285 3.6619 3.6619 3.7091 3.7091 4.0159 4.0159 4.0555 4.0555 4.0627 4.0627 4.2045 4.2045 4.2825 4.2825 4.6599 4.6599 5.7843 5.7843 5.8480 5.8480 5.9690 5.9690 8.7054 8.7054 10.9833 10.9833 11.4906 11.4906 11.5226 11.5226 11.9970 11.9970 k = 0.5000 0.6737-0.0000 ( 3532 PWs) bands (ev): -16.8096 -16.8096 -16.6926 -16.6926 -12.5869 -12.5869 -12.5860 -12.5860 -2.0538 -2.0538 -1.4107 -1.4107 -1.3997 -1.3997 -0.6971 -0.6971 -0.2817 -0.2817 -0.1270 -0.1270 0.8256 0.8256 0.8460 0.8460 1.8357 1.8357 3.6123 3.6123 3.6296 3.6296 3.6647 3.6647 3.7077 3.7077 4.0163 4.0163 4.0546 4.0546 4.0630 4.0630 4.2032 4.2032 4.2822 4.2822 4.6605 4.6605 5.7843 5.7843 5.8480 5.8480 5.9683 5.9683 8.7035 8.7035 10.9836 10.9836 11.4999 11.4999 11.5316 11.5316 11.9875 11.9875 k = 0.0000 0.0000 0.6226 ( 3588 PWs) bands (ev): -16.8616 -16.8616 -16.6493 -16.6493 -12.5997 -12.5997 -12.5609 -12.5609 -1.7318 -1.7318 -1.7207 -1.7207 -1.2658 -1.2658 -0.8864 -0.8864 -0.7154 -0.7154 -0.1730 -0.1730 0.7771 0.7771 1.1284 1.1284 2.5161 2.5161 2.9349 2.9349 3.0004 3.0004 3.5847 3.5847 4.0350 4.0350 4.2640 4.2640 4.3492 4.3492 4.4069 4.4069 4.5585 4.5585 4.6404 4.6404 4.6423 4.6423 5.5843 5.5843 5.8801 5.8801 6.6433 6.6433 8.2525 8.2525 9.7035 9.7035 9.8602 9.8602 11.6592 11.6592 11.8797 11.8797 k = 0.0093 0.0125 0.6226 ( 3588 PWs) bands (ev): -16.8614 -16.8614 -16.6495 -16.6495 -12.5997 -12.5997 -12.5609 -12.5609 -1.7314 -1.7314 -1.7196 -1.7196 -1.2663 -1.2663 -0.8863 -0.8863 -0.7155 -0.7155 -0.1744 -0.1744 0.7772 0.7772 1.1277 1.1277 2.5169 2.5169 2.9362 2.9362 3.0012 3.0012 3.5849 3.5849 4.0347 4.0347 4.2639 4.2639 4.3260 4.3260 4.4249 4.4249 4.5600 4.5600 4.6422 4.6422 4.6447 4.6447 5.5831 5.5831 5.8790 5.8790 6.6422 6.6422 8.2533 8.2533 9.7043 9.7043 9.8573 9.8573 11.6456 11.6456 11.8947 11.8947 k = 0.0185 0.0250 0.6226 ( 3584 PWs) bands (ev): -16.8609 -16.8609 -16.6501 -16.6501 -12.5996 -12.5996 -12.5610 -12.5610 -1.7302 -1.7302 -1.7164 -1.7164 -1.2676 -1.2676 -0.8862 -0.8862 -0.7157 -0.7157 -0.1786 -0.1786 0.7775 0.7775 1.1257 1.1257 2.5192 2.5192 2.9399 2.9399 3.0040 3.0040 3.5856 3.5856 4.0338 4.0338 4.2635 4.2635 4.2844 4.2844 4.4504 4.4504 4.5638 4.5638 4.6417 4.6417 4.6585 4.6585 5.5797 5.5797 5.8757 5.8757 6.6388 6.6388 8.2559 8.2559 9.7068 9.7068 9.8489 9.8489 11.6122 11.6122 11.9323 11.9323 k = 0.0278 0.0374 0.6226 ( 3584 PWs) bands (ev): -16.8600 -16.8600 -16.6510 -16.6510 -12.5994 -12.5994 -12.5612 -12.5612 -1.7284 -1.7284 -1.7110 -1.7110 -1.2698 -1.2698 -0.8859 -0.8859 -0.7160 -0.7160 -0.1855 -0.1855 0.7781 0.7781 1.1224 1.1224 2.5231 2.5231 2.9460 2.9460 3.0084 3.0084 3.5867 3.5867 4.0320 4.0320 4.2391 4.2391 4.2630 4.2630 4.4692 4.4692 4.5684 4.5684 4.6410 4.6410 4.6831 4.6831 5.5740 5.5740 5.8702 5.8702 6.6332 6.6332 8.2601 8.2601 9.7106 9.7106 9.8353 9.8353 11.5694 11.5694 11.9820 11.9820 k = 0.0370 0.0499 0.6226 ( 3572 PWs) bands (ev): -16.8588 -16.8588 -16.6523 -16.6523 -12.5992 -12.5992 -12.5614 -12.5614 -1.7258 -1.7258 -1.7034 -1.7034 -1.2729 -1.2729 -0.8856 -0.8856 -0.7164 -0.7164 -0.1950 -0.1950 0.7789 0.7789 1.1178 1.1178 2.5285 2.5285 2.9545 2.9545 3.0143 3.0143 3.5883 3.5883 4.0286 4.0286 4.1936 4.1936 4.2623 4.2623 4.4808 4.4808 4.5722 4.5722 4.6401 4.6401 4.7180 4.7180 5.5662 5.5662 5.8626 5.8626 6.6253 6.6253 8.2660 8.2660 9.7148 9.7148 9.8179 9.8179 11.5226 11.5226 12.0384 12.0384 k = 0.0463 0.0624 0.6226 ( 3576 PWs) bands (ev): -16.8572 -16.8572 -16.6540 -16.6540 -12.5989 -12.5989 -12.5617 -12.5617 -1.7226 -1.7226 -1.6937 -1.6937 -1.2768 -1.2768 -0.8852 -0.8852 -0.7170 -0.7170 -0.2073 -0.2073 0.7800 0.7800 1.1121 1.1121 2.5353 2.5353 2.9652 2.9652 3.0220 3.0220 3.5902 3.5902 4.0221 4.0221 4.1505 4.1505 4.2613 4.2613 4.4873 4.4873 4.5746 4.5746 4.6387 4.6387 4.7605 4.7605 5.5563 5.5563 5.8529 5.8529 6.6152 6.6152 8.2735 8.2735 9.7173 9.7173 9.7992 9.7992 11.4741 11.4741 12.0992 12.0992 k = 0.0556 0.0749 0.6226 ( 3564 PWs) bands (ev): -16.8554 -16.8554 -16.6560 -16.6560 -12.5985 -12.5985 -12.5620 -12.5620 -1.7187 -1.7187 -1.6818 -1.6818 -1.2816 -1.2816 -0.8848 -0.8848 -0.7177 -0.7177 -0.2220 -0.2220 0.7813 0.7813 1.1053 1.1053 2.5438 2.5438 2.9780 2.9780 3.0312 3.0312 3.5926 3.5926 4.0090 4.0090 4.1137 4.1137 4.2602 4.2602 4.4907 4.4907 4.5760 4.5760 4.6371 4.6371 4.8077 4.8077 5.5446 5.5446 5.8413 5.8413 6.6029 6.6029 8.2827 8.2827 9.7123 9.7123 9.7855 9.7855 11.4250 11.4250 12.1634 12.1634 k = 0.0648 0.0873 0.6226 ( 3566 PWs) bands (ev): -16.8532 -16.8532 -16.6583 -16.6583 -12.5981 -12.5981 -12.5624 -12.5624 -1.7142 -1.7142 -1.6677 -1.6677 -1.2872 -1.2872 -0.8843 -0.8843 -0.7185 -0.7185 -0.2393 -0.2393 0.7828 0.7828 1.0975 1.0975 2.5536 2.5536 2.9927 2.9927 3.0420 3.0420 3.5955 3.5955 3.9847 3.9847 4.0882 4.0882 4.2588 4.2588 4.4922 4.4922 4.5766 4.5766 4.6350 4.6350 4.8580 4.8580 5.5313 5.5313 5.8277 5.8277 6.5884 6.5884 8.2936 8.2936 9.6931 9.6931 9.7840 9.7840 11.3756 11.3756 12.2305 12.2305 k = 0.0741 0.0998 0.6226 ( 3562 PWs) bands (ev): -16.8506 -16.8506 -16.6610 -16.6610 -12.5976 -12.5976 -12.5629 -12.5629 -1.7090 -1.7090 -1.6517 -1.6517 -1.2936 -1.2936 -0.8838 -0.8838 -0.7195 -0.7195 -0.2589 -0.2589 0.7846 0.7846 1.0888 1.0888 2.5649 2.5649 3.0091 3.0091 3.0539 3.0539 3.5988 3.5988 3.9493 3.9493 4.0741 4.0741 4.2575 4.2575 4.4924 4.4924 4.5767 4.5767 4.6326 4.6326 4.9102 4.9102 5.5166 5.5166 5.8123 5.8123 6.5718 6.5718 8.3060 8.3060 9.6622 9.6622 9.7928 9.7928 11.3261 11.3261 12.3002 12.3002 k = 0.0833 0.1123 0.6226 ( 3570 PWs) bands (ev): -16.8478 -16.8478 -16.6640 -16.6640 -12.5970 -12.5970 -12.5634 -12.5634 -1.7032 -1.7032 -1.6336 -1.6336 -1.3008 -1.3008 -0.8834 -0.8834 -0.7205 -0.7205 -0.2807 -0.2807 0.7867 0.7867 1.0793 1.0793 2.5776 2.5776 3.0269 3.0269 3.0669 3.0669 3.6025 3.6025 3.9074 3.9074 4.0667 4.0667 4.2560 4.2560 4.4916 4.4916 4.5763 4.5763 4.6298 4.6298 4.9634 4.9634 5.5007 5.5007 5.7952 5.7952 6.5531 6.5531 8.3199 8.3199 9.6247 9.6247 9.8074 9.8074 11.2767 11.2767 12.3726 12.3726 k = 0.0926 0.1248 0.6226 ( 3568 PWs) bands (ev): -16.8447 -16.8447 -16.6674 -16.6674 -12.5964 -12.5964 -12.5640 -12.5640 -1.6967 -1.6967 -1.6135 -1.6135 -1.3086 -1.3086 -0.8831 -0.8831 -0.7216 -0.7216 -0.3046 -0.3046 0.7891 0.7891 1.0692 1.0692 2.5918 2.5918 3.0461 3.0461 3.0808 3.0808 3.6066 3.6066 3.8631 3.8631 4.0625 4.0625 4.2546 4.2546 4.4902 4.4902 4.5756 4.5756 4.6267 4.6267 5.0175 5.0175 5.4841 5.4841 5.7766 5.7766 6.5324 6.5324 8.3355 8.3355 9.5833 9.5833 9.8255 9.8255 11.2273 11.2273 12.4473 12.4473 k = 0.1019 0.1372 0.6226 ( 3568 PWs) bands (ev): -16.8412 -16.8412 -16.6710 -16.6710 -12.5958 -12.5958 -12.5646 -12.5646 -1.6896 -1.6896 -1.5915 -1.5915 -1.3172 -1.3172 -0.8829 -0.8829 -0.7228 -0.7228 -0.3304 -0.3304 0.7917 0.7917 1.0585 1.0585 2.6073 2.6073 3.0663 3.0663 3.0953 3.0953 3.6112 3.6112 3.8181 3.8181 4.0596 4.0596 4.2534 4.2534 4.4880 4.4880 4.5746 4.5746 4.6232 4.6232 5.0719 5.0719 5.4670 5.4670 5.7565 5.7565 6.5096 6.5096 8.3525 8.3525 9.5392 9.5392 9.8462 9.8462 11.1779 11.1779 12.5242 12.5243 k = 0.1111 0.1497 0.6226 ( 3556 PWs) bands (ev): -16.8375 -16.8375 -16.6750 -16.6750 -12.5950 -12.5950 -12.5653 -12.5653 -1.6819 -1.6819 -1.5678 -1.5678 -1.3264 -1.3264 -0.8829 -0.8829 -0.7240 -0.7240 -0.3578 -0.3578 0.7947 0.7947 1.0474 1.0474 2.6243 2.6243 3.0874 3.0874 3.1103 3.1103 3.6160 3.6160 3.7739 3.7739 4.0571 4.0571 4.2525 4.2525 4.4853 4.4853 4.5734 4.5734 4.6193 4.6193 5.1266 5.1266 5.4499 5.4499 5.7352 5.7352 6.4849 6.4849 8.3710 8.3710 9.4934 9.4934 9.8694 9.8694 11.1287 11.1287 12.5591 12.5591 k = 0.1204 0.1622 0.6226 ( 3554 PWs) bands (ev): -16.8335 -16.8335 -16.6792 -16.6792 -12.5943 -12.5943 -12.5660 -12.5660 -1.6737 -1.6737 -1.5422 -1.5422 -1.3362 -1.3362 -0.8833 -0.8833 -0.7253 -0.7253 -0.3868 -0.3868 0.7979 0.7979 1.0359 1.0359 2.6425 2.6425 3.1089 3.1089 3.1250 3.1250 3.6203 3.6203 3.7317 3.7317 4.0544 4.0544 4.2519 4.2519 4.4819 4.4819 4.5721 4.5721 4.6150 4.6150 5.1813 5.1813 5.4331 5.4331 5.7128 5.7128 6.4582 6.4582 8.3910 8.3910 9.4463 9.4463 9.8945 9.8945 11.0795 11.0795 12.5881 12.5881 k = 0.1296 0.1747 0.6226 ( 3556 PWs) bands (ev): -16.8293 -16.8293 -16.6837 -16.6837 -12.5934 -12.5934 -12.5668 -12.5668 -1.6649 -1.6649 -1.5150 -1.5150 -1.3466 -1.3466 -0.8840 -0.8840 -0.7266 -0.7266 -0.4170 -0.4170 0.8015 0.8015 1.0242 1.0242 2.6620 2.6620 3.1308 3.1308 3.1391 3.1391 3.6217 3.6217 3.6944 3.6944 4.0511 4.0511 4.2520 4.2520 4.4777 4.4777 4.5706 4.5706 4.6105 4.6105 5.2357 5.2357 5.4172 5.4172 5.6896 5.6896 6.4297 6.4297 8.4125 8.4125 9.3985 9.3985 9.9216 9.9216 11.0303 11.0303 12.6167 12.6167 k = 0.1389 0.1872 0.6226 ( 3556 PWs) bands (ev): -16.8248 -16.8248 -16.6884 -16.6884 -12.5926 -12.5926 -12.5676 -12.5676 -1.6556 -1.6556 -1.4862 -1.4862 -1.3576 -1.3576 -0.8854 -0.8854 -0.7280 -0.7280 -0.4481 -0.4481 0.8054 0.8054 1.0123 1.0123 2.6828 2.6828 3.1519 3.1519 3.1530 3.1530 3.6118 3.6118 3.6710 3.6710 4.0469 4.0469 4.2527 4.2527 4.4727 4.4727 4.5689 4.5689 4.6058 4.6058 5.2894 5.2894 5.4027 5.4027 5.6657 5.6657 6.3995 6.3995 8.4353 8.4353 9.3502 9.3502 9.9505 9.9505 10.9812 10.9812 12.6446 12.6446 k = 0.1481 0.1996 0.6226 ( 3550 PWs) bands (ev): -16.8200 -16.8200 -16.6933 -16.6933 -12.5917 -12.5917 -12.5685 -12.5685 -1.6457 -1.6457 -1.4560 -1.4560 -1.3690 -1.3690 -0.8876 -0.8876 -0.7292 -0.7292 -0.4798 -0.4798 0.8097 0.8097 1.0004 1.0004 2.7049 2.7049 3.1633 3.1633 3.1747 3.1747 3.5848 3.5848 3.6681 3.6681 4.0415 4.0415 4.2544 4.2544 4.4668 4.4668 4.5672 4.5672 4.6011 4.6011 5.3407 5.3407 5.3919 5.3919 5.6414 5.6414 6.3675 6.3675 8.4595 8.4595 9.3019 9.3019 9.9812 9.9812 10.9322 10.9322 12.6717 12.6717 k = 0.1574 0.2121 0.6226 ( 3548 PWs) bands (ev): -16.8151 -16.8151 -16.6985 -16.6985 -12.5907 -12.5907 -12.5694 -12.5694 -1.6354 -1.6354 -1.4243 -1.4243 -1.3808 -1.3808 -0.8909 -0.8909 -0.7305 -0.7305 -0.5117 -0.5117 0.8143 0.8143 0.9886 0.9886 2.7282 2.7282 3.1718 3.1718 3.1962 3.1962 3.5515 3.5515 3.6752 3.6752 4.0346 4.0346 4.2571 4.2571 4.4599 4.4599 4.5655 4.5655 4.5963 4.5963 5.3674 5.3674 5.4066 5.4066 5.6172 5.6172 6.3338 6.3338 8.4851 8.4851 9.2537 9.2537 10.0135 10.0135 10.8833 10.8833 12.6980 12.6980 k = 0.1667 0.2246 0.6226 ( 3548 PWs) bands (ev): -16.8099 -16.8099 -16.7038 -16.7038 -12.5897 -12.5897 -12.5704 -12.5704 -1.6246 -1.6246 -1.3930 -1.3930 -1.3914 -1.3914 -0.8956 -0.8956 -0.7316 -0.7316 -0.5433 -0.5433 0.8193 0.8193 0.9768 0.9768 2.7526 2.7526 3.1767 3.1767 3.2171 3.2171 3.5188 3.5188 3.6864 3.6864 4.0261 4.0261 4.2609 4.2609 4.4518 4.4518 4.5638 4.5638 4.5916 4.5916 5.3623 5.3623 5.4540 5.4540 5.5939 5.5939 6.2984 6.2984 8.5121 8.5121 9.2058 9.2058 10.0474 10.0474 10.8345 10.8345 12.7234 12.7234 k = 0.1759 0.2371 0.6226 ( 3550 PWs) bands (ev): -16.8046 -16.8046 -16.7094 -16.7094 -12.5887 -12.5887 -12.5713 -12.5713 -1.6134 -1.6134 -1.4056 -1.4056 -1.3574 -1.3574 -0.9021 -0.9021 -0.7325 -0.7325 -0.5740 -0.5740 0.8246 0.8246 0.9651 0.9651 2.7782 2.7782 3.1771 3.1771 3.2374 3.2374 3.4888 3.4888 3.7003 3.7003 4.0157 4.0157 4.2659 4.2659 4.4427 4.4427 4.5623 4.5623 4.5872 4.5872 5.3557 5.3557 5.5006 5.5006 5.5748 5.5748 6.2616 6.2616 8.5403 8.5403 9.1586 9.1586 10.0828 10.0828 10.7859 10.7859 12.7478 12.7478 k = 0.1852 0.2495 0.6226 ( 3540 PWs) bands (ev): -16.7991 -16.7991 -16.7151 -16.7151 -12.5877 -12.5877 -12.5723 -12.5723 -1.6018 -1.6018 -1.4184 -1.4184 -1.3225 -1.3225 -0.9111 -0.9111 -0.7332 -0.7332 -0.6031 -0.6031 0.8304 0.8304 0.9537 0.9537 2.8048 2.8048 3.1722 3.1722 3.2568 3.2568 3.4627 3.4627 3.7164 3.7164 4.0034 4.0034 4.2722 4.2722 4.4325 4.4325 4.5611 4.5611 4.5830 4.5830 5.3512 5.3512 5.5220 5.5220 5.5813 5.5813 6.2232 6.2232 8.5699 8.5699 9.1120 9.1120 10.1197 10.1197 10.7375 10.7375 12.7713 12.7713 k = 0.1944 0.2620 0.6226 ( 3540 PWs) bands (ev): -16.7934 -16.7934 -16.7209 -16.7209 -12.5866 -12.5866 -12.5734 -12.5734 -1.5898 -1.5898 -1.4315 -1.4315 -1.2868 -1.2868 -0.9231 -0.9231 -0.7336 -0.7336 -0.6299 -0.6299 0.8366 0.8366 0.9425 0.9425 2.8324 2.8324 3.1615 3.1615 3.2752 3.2752 3.4407 3.4407 3.7344 3.7344 3.9890 3.9890 4.2796 4.2796 4.4213 4.4213 4.5601 4.5601 4.5790 4.5790 5.3492 5.3492 5.5079 5.5079 5.6236 5.6236 6.1835 6.1835 8.6008 8.6008 9.0662 9.0662 10.1578 10.1578 10.6894 10.6894 12.7938 12.7938 k = 0.2037 0.2745 0.6226 ( 3540 PWs) bands (ev): -16.7876 -16.7876 -16.7268 -16.7268 -12.5855 -12.5855 -12.5744 -12.5744 -1.5775 -1.5775 -1.4448 -1.4448 -1.2505 -1.2505 -0.9385 -0.9385 -0.7336 -0.7336 -0.6537 -0.6537 0.8431 0.8431 0.9315 0.9315 2.8609 2.8609 3.1453 3.1453 3.2926 3.2926 3.4228 3.4228 3.7541 3.7541 3.9727 3.9727 4.2881 4.2881 4.4093 4.4093 4.5595 4.5595 4.5754 4.5754 5.3498 5.3498 5.4870 5.4870 5.6728 5.6728 6.1423 6.1423 8.6329 8.6329 9.0213 9.0213 10.1972 10.1972 10.6416 10.6416 12.8154 12.8154 k = 0.2130 0.2870 0.6226 ( 3540 PWs) bands (ev): -16.7817 -16.7817 -16.7328 -16.7328 -12.5844 -12.5844 -12.5755 -12.5755 -1.5649 -1.5649 -1.4582 -1.4582 -1.2139 -1.2139 -0.9579 -0.9579 -0.7330 -0.7330 -0.6740 -0.6740 0.8501 0.8501 0.9209 0.9209 2.8902 2.8902 3.1242 3.1242 3.3088 3.3088 3.4081 3.4081 3.7753 3.7753 3.9546 3.9546 4.2977 4.2977 4.3967 4.3967 4.5593 4.5593 4.5722 4.5722 5.3532 5.3532 5.4657 5.4657 5.7229 5.7229 6.0999 6.0999 8.6664 8.6664 8.9774 8.9774 10.2377 10.2377 10.5941 10.5941 12.8362 12.8362 k = 0.2222 0.2994 0.6226 ( 3544 PWs) bands (ev): -16.7757 -16.7757 -16.7389 -16.7389 -12.5833 -12.5833 -12.5766 -12.5766 -1.5520 -1.5520 -1.4717 -1.4717 -1.1773 -1.1773 -0.9812 -0.9812 -0.7317 -0.7317 -0.6906 -0.6906 0.8575 0.8575 0.9107 0.9107 2.9201 2.9201 3.0993 3.0993 3.3238 3.3238 3.3956 3.3956 3.7976 3.7976 3.9347 3.9347 4.3082 4.3082 4.3837 4.3837 4.5595 4.5595 4.5693 4.5693 5.3593 5.3593 5.4452 5.4452 5.7729 5.7729 6.0562 6.0562 8.7010 8.7010 8.9345 8.9345 10.2793 10.2793 10.5472 10.5472 12.8560 12.8560 k = 0.2315 0.3119 0.6226 ( 3544 PWs) bands (ev): -16.7696 -16.7696 -16.7450 -16.7450 -12.5822 -12.5822 -12.5777 -12.5777 -1.5389 -1.5389 -1.4852 -1.4852 -1.1410 -1.1410 -1.0082 -1.0082 -0.7294 -0.7294 -0.7036 -0.7036 0.8654 0.8654 0.9008 0.9008 2.9506 2.9506 3.0717 3.0717 3.3377 3.3377 3.3844 3.3844 3.8208 3.8208 3.9135 3.9135 4.3196 4.3196 4.3704 4.3704 4.5602 4.5602 4.5667 4.5667 5.3680 5.3680 5.4260 5.4260 5.8222 5.8222 6.0114 6.0114 8.7369 8.7369 8.8926 8.8926 10.3219 10.3219 10.5008 10.5008 12.8750 12.8750 k = 0.2407 0.3244 0.6226 ( 3536 PWs) bands (ev): -16.7635 -16.7635 -16.7512 -16.7512 -12.5811 -12.5811 -12.5789 -12.5789 -1.5257 -1.5257 -1.4988 -1.4988 -1.1053 -1.1053 -1.0384 -1.0384 -0.7259 -0.7259 -0.7135 -0.7135 0.8736 0.8736 0.8914 0.8914 2.9814 2.9814 3.0424 3.0424 3.3505 3.3505 3.3735 3.3735 3.8444 3.8444 3.8912 3.8912 4.3317 4.3317 4.3572 4.3572 4.5612 4.5612 4.5645 4.5645 5.3792 5.3792 5.4084 5.4084 5.8709 5.8709 5.9656 5.9656 8.7741 8.7741 8.8520 8.8520 10.3655 10.3655 10.4549 10.4549 12.8932 12.8932 k = 0.2500 0.3369 0.6226 ( 3524 PWs) bands (ev): -16.7574 -16.7574 -16.7573 -16.7573 -12.5800 -12.5800 -12.5799 -12.5799 -1.5123 -1.5123 -1.5122 -1.5122 -1.0710 -1.0710 -1.0709 -1.0709 -0.7207 -0.7207 -0.7207 -0.7207 0.8823 0.8823 0.8823 0.8823 3.0122 3.0122 3.0122 3.0122 3.3624 3.3624 3.3624 3.3624 3.8680 3.8680 3.8680 3.8680 4.3443 4.3443 4.3443 4.3443 4.5627 4.5627 4.5627 4.5627 5.3928 5.3928 5.3928 5.3928 5.9187 5.9187 5.9187 5.9187 8.8124 8.8124 8.8125 8.8125 10.4098 10.4098 10.4099 10.4099 12.9106 12.9106 Writing output data file AgN3.save init_run : 0.21s CPU 0.63s WALL ( 1 calls) electrons : 186.82s CPU 189.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 186.81s CPU 189.57s 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 : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 337 calls) cegterg : 169.02s CPU 171.14s WALL ( 441 calls) Called by sum_band: Called by *egterg: h_psi : 104.86s CPU 106.85s WALL ( 7537 calls) s_psi : 4.93s CPU 4.95s WALL ( 7537 calls) g_psi : 0.21s CPU 0.21s WALL ( 6759 calls) cdiaghg : 58.82s CPU 59.28s WALL ( 7096 calls) cegterg:over : 5.92s CPU 6.05s WALL ( 6759 calls) cegterg:upda : 4.75s CPU 4.68s WALL ( 6759 calls) cegterg:last : 2.73s CPU 2.72s WALL ( 1115 calls) cdiaghg:chol : 3.32s CPU 3.33s WALL ( 7096 calls) cdiaghg:inve : 2.33s CPU 2.33s WALL ( 7096 calls) cdiaghg:para : 3.79s CPU 3.68s WALL ( 14192 calls) Called by h_psi: h_psi:vloc : 93.42s CPU 95.13s WALL ( 7537 calls) h_psi:vnl : 11.27s CPU 11.51s WALL ( 7537 calls) add_vuspsi : 5.64s CPU 5.80s WALL ( 7537 calls) General routines calbec : 5.62s CPU 5.69s WALL ( 7537 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 87.52s CPU 89.14s WALL ( 877652 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.31s WALL ( 674 calls) Parallel routines fft_scatter : 27.55s CPU 28.18s WALL ( 877675 calls) PWSCF : 3m24.50s CPU 3m41.28s WALL This run was terminated on: 18:27:51 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=